Program PWSCF v.5.1.1 starts on 21Jul2015 at 5:35:50 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: ./ZnTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 19 5 1040 544 85 Max 32 20 6 1046 562 92 Sum 1449 951 283 50079 26391 4281 bravais-lattice index = 14 lattice parameter (alat) = 8.1391 a.u. unit-cell volume = 646.3129 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.139084 celldm(2)= 1.000000 celldm(3)= 1.205474 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.105745 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.105745 0.994393 0.000000 ) a(3) = ( 0.000000 0.000000 1.205474 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.106341 -0.000000 ) b(2) = ( 0.000000 1.005638 -0.000000 ) b(3) = ( 0.000000 0.000000 0.829549 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Zn 12.00 65.40900 Zn( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 ) ( 0.6027372 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6027372 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 414 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0090437 0.0100564 -0.0000000), wk = 0.0024155 k( 3) = ( 0.0180874 0.0201128 -0.0000000), wk = 0.0024155 k( 4) = ( 0.0271310 0.0301692 -0.0000000), wk = 0.0024155 k( 5) = ( 0.0361747 0.0402255 -0.0000000), wk = 0.0024155 k( 6) = ( 0.0452184 0.0502819 -0.0000000), wk = 0.0024155 k( 7) = ( 0.0542621 0.0603383 -0.0000000), wk = 0.0024155 k( 8) = ( 0.0633057 0.0703947 -0.0000000), wk = 0.0024155 k( 9) = ( 0.0723494 0.0804511 -0.0000000), wk = 0.0024155 k( 10) = ( 0.0813931 0.0905074 -0.0000000), wk = 0.0024155 k( 11) = ( 0.0904368 0.1005638 -0.0000000), wk = 0.0024155 k( 12) = ( 0.0994805 0.1106202 -0.0000000), wk = 0.0024155 k( 13) = ( 0.1085241 0.1206766 -0.0000000), wk = 0.0024155 k( 14) = ( 0.1175678 0.1307330 -0.0000000), wk = 0.0024155 k( 15) = ( 0.1266115 0.1407894 -0.0000000), wk = 0.0024155 k( 16) = ( 0.1356552 0.1508457 -0.0000000), wk = 0.0024155 k( 17) = ( 0.1446989 0.1609021 -0.0000000), wk = 0.0024155 k( 18) = ( 0.1537426 0.1709585 -0.0000000), wk = 0.0024155 k( 19) = ( 0.1627862 0.1810149 -0.0000000), wk = 0.0024155 k( 20) = ( 0.1718299 0.1910713 -0.0000000), wk = 0.0024155 k( 21) = ( 0.1808736 0.2011277 -0.0000000), wk = 0.0024155 k( 22) = ( 0.1899173 0.2111840 -0.0000000), wk = 0.0024155 k( 23) = ( 0.1989609 0.2212404 -0.0000000), wk = 0.0024155 k( 24) = ( 0.2080046 0.2312968 -0.0000000), wk = 0.0024155 k( 25) = ( 0.2170483 0.2413532 -0.0000000), wk = 0.0024155 k( 26) = ( 0.2260920 0.2514096 -0.0000000), wk = 0.0024155 k( 27) = ( 0.2351357 0.2614660 -0.0000000), wk = 0.0024155 k( 28) = ( 0.2441793 0.2715223 -0.0000000), wk = 0.0024155 k( 29) = ( 0.2532230 0.2815787 -0.0000000), wk = 0.0024155 k( 30) = ( 0.2622667 0.2916351 -0.0000000), wk = 0.0024155 k( 31) = ( 0.2713104 0.3016915 -0.0000000), wk = 0.0024155 k( 32) = ( 0.2803541 0.3117479 -0.0000000), wk = 0.0024155 k( 33) = ( 0.2893977 0.3218043 -0.0000000), wk = 0.0024155 k( 34) = ( 0.2984414 0.3318606 -0.0000000), wk = 0.0024155 k( 35) = ( 0.3074851 0.3419170 -0.0000000), wk = 0.0024155 k( 36) = ( 0.3165288 0.3519734 -0.0000000), wk = 0.0024155 k( 37) = ( 0.3255725 0.3620298 -0.0000000), wk = 0.0024155 k( 38) = ( 0.3346161 0.3720862 -0.0000000), wk = 0.0024155 k( 39) = ( 0.3436598 0.3821425 -0.0000000), wk = 0.0024155 k( 40) = ( 0.3527035 0.3921989 -0.0000000), wk = 0.0024155 k( 41) = ( 0.3617472 0.4022553 -0.0000000), wk = 0.0024155 k( 42) = ( 0.3707909 0.4123117 -0.0000000), wk = 0.0024155 k( 43) = ( 0.3798345 0.4223681 -0.0000000), wk = 0.0024155 k( 44) = ( 0.3888782 0.4324245 -0.0000000), wk = 0.0024155 k( 45) = ( 0.3979219 0.4424809 -0.0000000), wk = 0.0024155 k( 46) = ( 0.4069656 0.4525372 -0.0000000), wk = 0.0024155 k( 47) = ( 0.4160092 0.4625936 -0.0000000), wk = 0.0024155 k( 48) = ( 0.4250529 0.4726500 -0.0000000), wk = 0.0024155 k( 49) = ( 0.4340966 0.4827064 -0.0000000), wk = 0.0024155 k( 50) = ( 0.4431403 0.4927628 -0.0000000), wk = 0.0024155 k( 51) = ( 0.4521840 0.5028191 -0.0000000), wk = 0.0024155 k( 52) = ( 0.4521840 0.5028191 -0.0000000), wk = 0.0024155 k( 53) = ( 0.4384814 0.5028191 -0.0000000), wk = 0.0024155 k( 54) = ( 0.4247789 0.5028192 -0.0000000), wk = 0.0024155 k( 55) = ( 0.4110763 0.5028192 -0.0000000), wk = 0.0024155 k( 56) = ( 0.3973738 0.5028192 -0.0000000), wk = 0.0024155 k( 57) = ( 0.3836712 0.5028191 -0.0000000), wk = 0.0024155 k( 58) = ( 0.3699687 0.5028191 -0.0000000), wk = 0.0024155 k( 59) = ( 0.3562662 0.5028191 -0.0000000), wk = 0.0024155 k( 60) = ( 0.3425636 0.5028191 -0.0000000), wk = 0.0024155 k( 61) = ( 0.3288611 0.5028191 -0.0000000), wk = 0.0024155 k( 62) = ( 0.3151585 0.5028191 -0.0000000), wk = 0.0024155 k( 63) = ( 0.3014560 0.5028191 -0.0000000), wk = 0.0024155 k( 64) = ( 0.2877534 0.5028191 -0.0000000), wk = 0.0024155 k( 65) = ( 0.2740509 0.5028191 -0.0000000), wk = 0.0024155 k( 66) = ( 0.2603483 0.5028192 -0.0000000), wk = 0.0024155 k( 67) = ( 0.2466458 0.5028192 -0.0000000), wk = 0.0024155 k( 68) = ( 0.2329432 0.5028192 -0.0000000), wk = 0.0024155 k( 69) = ( 0.2192407 0.5028192 -0.0000000), wk = 0.0024155 k( 70) = ( 0.2055382 0.5028191 -0.0000000), wk = 0.0024155 k( 71) = ( 0.1918356 0.5028191 -0.0000000), wk = 0.0024155 k( 72) = ( 0.1781331 0.5028191 -0.0000000), wk = 0.0024155 k( 73) = ( 0.1644305 0.5028191 -0.0000000), wk = 0.0024155 k( 74) = ( 0.1507280 0.5028191 -0.0000000), wk = 0.0024155 k( 75) = ( 0.1370254 0.5028191 -0.0000000), wk = 0.0024155 k( 76) = ( 0.1233229 0.5028191 -0.0000000), wk = 0.0024155 k( 77) = ( 0.1096204 0.5028191 -0.0000000), wk = 0.0024155 k( 78) = ( 0.0959178 0.5028191 -0.0000000), wk = 0.0024155 k( 79) = ( 0.0822153 0.5028192 -0.0000000), wk = 0.0024155 k( 80) = ( 0.0685127 0.5028192 -0.0000000), wk = 0.0024155 k( 81) = ( 0.0548102 0.5028192 -0.0000000), wk = 0.0024155 k( 82) = ( 0.0411076 0.5028191 -0.0000000), wk = 0.0024155 k( 83) = ( 0.0274051 0.5028191 -0.0000000), wk = 0.0024155 k( 84) = ( 0.0137025 0.5028191 -0.0000000), wk = 0.0024155 k( 85) = ( 0.0000000 0.5028191 -0.0000000), wk = 0.0024155 k( 86) = ( 0.0000000 0.5028191 -0.0000000), wk = 0.0024155 k( 87) = ( 0.0000000 0.5028191 0.0133798), wk = 0.0024155 k( 88) = ( 0.0000000 0.5028191 0.0267596), wk = 0.0024155 k( 89) = ( 0.0000000 0.5028191 0.0401395), wk = 0.0024155 k( 90) = ( 0.0000000 0.5028191 0.0535193), wk = 0.0024155 k( 91) = ( 0.0000000 0.5028191 0.0668991), wk = 0.0024155 k( 92) = ( 0.0000000 0.5028191 0.0802789), wk = 0.0024155 k( 93) = ( 0.0000000 0.5028191 0.0936588), wk = 0.0024155 k( 94) = ( 0.0000000 0.5028191 0.1070386), wk = 0.0024155 k( 95) = ( 0.0000000 0.5028191 0.1204184), wk = 0.0024155 k( 96) = ( 0.0000000 0.5028191 0.1337982), wk = 0.0024155 k( 97) = ( 0.0000000 0.5028191 0.1471780), wk = 0.0024155 k( 98) = ( 0.0000000 0.5028191 0.1605579), wk = 0.0024155 k( 99) = ( 0.0000000 0.5028191 0.1739377), wk = 0.0024155 k( 100) = ( 0.0000000 0.5028191 0.1873175), wk = 0.0024155 k( 101) = ( 0.0000000 0.5028191 0.2006973), wk = 0.0024155 k( 102) = ( 0.0000000 0.5028191 0.2140772), wk = 0.0024155 k( 103) = ( 0.0000000 0.5028191 0.2274570), wk = 0.0024155 k( 104) = ( 0.0000000 0.5028191 0.2408368), wk = 0.0024155 k( 105) = ( 0.0000000 0.5028191 0.2542166), wk = 0.0024155 k( 106) = ( 0.0000000 0.5028191 0.2675964), wk = 0.0024155 k( 107) = ( 0.0000000 0.5028191 0.2809763), wk = 0.0024155 k( 108) = ( 0.0000000 0.5028191 0.2943561), wk = 0.0024155 k( 109) = ( 0.0000000 0.5028191 0.3077359), wk = 0.0024155 k( 110) = ( 0.0000000 0.5028191 0.3211157), wk = 0.0024155 k( 111) = ( 0.0000000 0.5028191 0.3344956), wk = 0.0024155 k( 112) = ( 0.0000000 0.5028191 0.3478754), wk = 0.0024155 k( 113) = ( 0.0000000 0.5028191 0.3612552), wk = 0.0024155 k( 114) = ( 0.0000000 0.5028191 0.3746350), wk = 0.0024155 k( 115) = ( 0.0000000 0.5028191 0.3880148), wk = 0.0024155 k( 116) = ( 0.0000000 0.5028191 0.4013947), wk = 0.0024155 k( 117) = ( 0.0000000 0.5028191 0.4147745), wk = 0.0024155 k( 118) = ( 0.0000000 0.5028191 0.4147745), wk = 0.0024155 k( 119) = ( 0.0137025 0.5028191 0.4147745), wk = 0.0024155 k( 120) = ( 0.0274051 0.5028191 0.4147745), wk = 0.0024155 k( 121) = ( 0.0411076 0.5028191 0.4147745), wk = 0.0024155 k( 122) = ( 0.0548102 0.5028192 0.4147745), wk = 0.0024155 k( 123) = ( 0.0685127 0.5028192 0.4147745), wk = 0.0024155 k( 124) = ( 0.0822153 0.5028192 0.4147745), wk = 0.0024155 k( 125) = ( 0.0959178 0.5028191 0.4147745), wk = 0.0024155 k( 126) = ( 0.1096204 0.5028191 0.4147745), wk = 0.0024155 k( 127) = ( 0.1233229 0.5028191 0.4147745), wk = 0.0024155 k( 128) = ( 0.1370254 0.5028191 0.4147745), wk = 0.0024155 k( 129) = ( 0.1507280 0.5028191 0.4147745), wk = 0.0024155 k( 130) = ( 0.1644305 0.5028191 0.4147745), wk = 0.0024155 k( 131) = ( 0.1781331 0.5028191 0.4147745), wk = 0.0024155 k( 132) = ( 0.1918356 0.5028191 0.4147745), wk = 0.0024155 k( 133) = ( 0.2055382 0.5028191 0.4147745), wk = 0.0024155 k( 134) = ( 0.2192407 0.5028192 0.4147745), wk = 0.0024155 k( 135) = ( 0.2329432 0.5028192 0.4147745), wk = 0.0024155 k( 136) = ( 0.2466458 0.5028192 0.4147745), wk = 0.0024155 k( 137) = ( 0.2603483 0.5028192 0.4147745), wk = 0.0024155 k( 138) = ( 0.2740509 0.5028191 0.4147745), wk = 0.0024155 k( 139) = ( 0.2877534 0.5028191 0.4147745), wk = 0.0024155 k( 140) = ( 0.3014560 0.5028191 0.4147745), wk = 0.0024155 k( 141) = ( 0.3151585 0.5028191 0.4147745), wk = 0.0024155 k( 142) = ( 0.3288611 0.5028191 0.4147745), wk = 0.0024155 k( 143) = ( 0.3425636 0.5028191 0.4147745), wk = 0.0024155 k( 144) = ( 0.3562662 0.5028191 0.4147745), wk = 0.0024155 k( 145) = ( 0.3699687 0.5028191 0.4147745), wk = 0.0024155 k( 146) = ( 0.3836712 0.5028191 0.4147745), wk = 0.0024155 k( 147) = ( 0.3973738 0.5028192 0.4147745), wk = 0.0024155 k( 148) = ( 0.4110763 0.5028192 0.4147745), wk = 0.0024155 k( 149) = ( 0.4247789 0.5028192 0.4147745), wk = 0.0024155 k( 150) = ( 0.4384814 0.5028191 0.4147745), wk = 0.0024155 k( 151) = ( 0.4521840 0.5028191 0.4147745), wk = 0.0024155 k( 152) = ( 0.4521840 0.5028191 0.4147745), wk = 0.0024155 k( 153) = ( 0.4431403 0.4927628 0.4147745), wk = 0.0024155 k( 154) = ( 0.4340966 0.4827064 0.4147745), wk = 0.0024155 k( 155) = ( 0.4250529 0.4726500 0.4147745), wk = 0.0024155 k( 156) = ( 0.4160092 0.4625936 0.4147745), wk = 0.0024155 k( 157) = ( 0.4069656 0.4525372 0.4147745), wk = 0.0024155 k( 158) = ( 0.3979219 0.4424809 0.4147745), wk = 0.0024155 k( 159) = ( 0.3888782 0.4324245 0.4147745), wk = 0.0024155 k( 160) = ( 0.3798345 0.4223681 0.4147745), wk = 0.0024155 k( 161) = ( 0.3707909 0.4123117 0.4147745), wk = 0.0024155 k( 162) = ( 0.3617472 0.4022553 0.4147745), wk = 0.0024155 k( 163) = ( 0.3527035 0.3921989 0.4147745), wk = 0.0024155 k( 164) = ( 0.3436598 0.3821425 0.4147745), wk = 0.0024155 k( 165) = ( 0.3346161 0.3720862 0.4147745), wk = 0.0024155 k( 166) = ( 0.3255725 0.3620298 0.4147745), wk = 0.0024155 k( 167) = ( 0.3165288 0.3519734 0.4147745), wk = 0.0024155 k( 168) = ( 0.3074851 0.3419170 0.4147745), wk = 0.0024155 k( 169) = ( 0.2984414 0.3318606 0.4147745), wk = 0.0024155 k( 170) = ( 0.2893977 0.3218043 0.4147745), wk = 0.0024155 k( 171) = ( 0.2803541 0.3117479 0.4147745), wk = 0.0024155 k( 172) = ( 0.2713104 0.3016915 0.4147745), wk = 0.0024155 k( 173) = ( 0.2622667 0.2916351 0.4147745), wk = 0.0024155 k( 174) = ( 0.2532230 0.2815787 0.4147745), wk = 0.0024155 k( 175) = ( 0.2441793 0.2715223 0.4147745), wk = 0.0024155 k( 176) = ( 0.2351357 0.2614660 0.4147745), wk = 0.0024155 k( 177) = ( 0.2260920 0.2514096 0.4147745), wk = 0.0024155 k( 178) = ( 0.2170483 0.2413532 0.4147745), wk = 0.0024155 k( 179) = ( 0.2080046 0.2312968 0.4147745), wk = 0.0024155 k( 180) = ( 0.1989609 0.2212404 0.4147745), wk = 0.0024155 k( 181) = ( 0.1899173 0.2111840 0.4147745), wk = 0.0024155 k( 182) = ( 0.1808736 0.2011277 0.4147745), wk = 0.0024155 k( 183) = ( 0.1718299 0.1910713 0.4147745), wk = 0.0024155 k( 184) = ( 0.1627862 0.1810149 0.4147745), wk = 0.0024155 k( 185) = ( 0.1537426 0.1709585 0.4147745), wk = 0.0024155 k( 186) = ( 0.1446989 0.1609021 0.4147745), wk = 0.0024155 k( 187) = ( 0.1356552 0.1508457 0.4147745), wk = 0.0024155 k( 188) = ( 0.1266115 0.1407894 0.4147745), wk = 0.0024155 k( 189) = ( 0.1175678 0.1307330 0.4147745), wk = 0.0024155 k( 190) = ( 0.1085241 0.1206766 0.4147745), wk = 0.0024155 k( 191) = ( 0.0994805 0.1106202 0.4147745), wk = 0.0024155 k( 192) = ( 0.0904368 0.1005638 0.4147745), wk = 0.0024155 k( 193) = ( 0.0813931 0.0905074 0.4147745), wk = 0.0024155 k( 194) = ( 0.0723494 0.0804511 0.4147745), wk = 0.0024155 k( 195) = ( 0.0633057 0.0703947 0.4147745), wk = 0.0024155 k( 196) = ( 0.0542621 0.0603383 0.4147745), wk = 0.0024155 k( 197) = ( 0.0452184 0.0502819 0.4147745), wk = 0.0024155 k( 198) = ( 0.0361747 0.0402255 0.4147745), wk = 0.0024155 k( 199) = ( 0.0271310 0.0301692 0.4147745), wk = 0.0024155 k( 200) = ( 0.0180874 0.0201128 0.4147745), wk = 0.0024155 k( 201) = ( 0.0090437 0.0100564 0.4147745), wk = 0.0024155 k( 202) = ( 0.0000000 0.0000000 0.4147745), wk = 0.0024155 k( 203) = ( 0.0000000 0.0000000 0.4147745), wk = 0.0024155 k( 204) = ( 0.0000000 0.0000000 0.4013947), wk = 0.0024155 k( 205) = ( 0.0000000 0.0000000 0.3880148), wk = 0.0024155 k( 206) = ( 0.0000000 0.0000000 0.3746350), wk = 0.0024155 k( 207) = ( 0.0000000 0.0000000 0.3612552), wk = 0.0024155 k( 208) = ( 0.0000000 0.0000000 0.3478754), wk = 0.0024155 k( 209) = ( 0.0000000 0.0000000 0.3344956), wk = 0.0024155 k( 210) = ( 0.0000000 0.0000000 0.3211157), wk = 0.0024155 k( 211) = ( 0.0000000 0.0000000 0.3077359), wk = 0.0024155 k( 212) = ( 0.0000000 0.0000000 0.2943561), wk = 0.0024155 k( 213) = ( 0.0000000 0.0000000 0.2809763), wk = 0.0024155 k( 214) = ( 0.0000000 0.0000000 0.2675964), wk = 0.0024155 k( 215) = ( 0.0000000 0.0000000 0.2542166), wk = 0.0024155 k( 216) = ( 0.0000000 0.0000000 0.2408368), wk = 0.0024155 k( 217) = ( 0.0000000 0.0000000 0.2274570), wk = 0.0024155 k( 218) = ( 0.0000000 0.0000000 0.2140772), wk = 0.0024155 k( 219) = ( 0.0000000 0.0000000 0.2006973), wk = 0.0024155 k( 220) = ( 0.0000000 0.0000000 0.1873175), wk = 0.0024155 k( 221) = ( 0.0000000 0.0000000 0.1739377), wk = 0.0024155 k( 222) = ( 0.0000000 0.0000000 0.1605579), wk = 0.0024155 k( 223) = ( 0.0000000 0.0000000 0.1471780), wk = 0.0024155 k( 224) = ( 0.0000000 0.0000000 0.1337982), wk = 0.0024155 k( 225) = ( 0.0000000 0.0000000 0.1204184), wk = 0.0024155 k( 226) = ( 0.0000000 0.0000000 0.1070386), wk = 0.0024155 k( 227) = ( 0.0000000 0.0000000 0.0936588), wk = 0.0024155 k( 228) = ( 0.0000000 0.0000000 0.0802789), wk = 0.0024155 k( 229) = ( 0.0000000 0.0000000 0.0668991), wk = 0.0024155 k( 230) = ( 0.0000000 0.0000000 0.0535193), wk = 0.0024155 k( 231) = ( 0.0000000 0.0000000 0.0401395), wk = 0.0024155 k( 232) = ( 0.0000000 0.0000000 0.0267596), wk = 0.0024155 k( 233) = ( 0.0000000 0.0000000 0.0133798), wk = 0.0024155 k( 234) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 236) = ( -0.0100000 0.0089930 0.0000000), wk = 0.0024155 k( 237) = ( -0.0200000 0.0179859 0.0000000), wk = 0.0024155 k( 238) = ( -0.0300000 0.0269789 0.0000000), wk = 0.0024155 k( 239) = ( -0.0400000 0.0359719 0.0000000), wk = 0.0024155 k( 240) = ( -0.0500000 0.0449649 0.0000000), wk = 0.0024155 k( 241) = ( -0.0600000 0.0539578 0.0000000), wk = 0.0024155 k( 242) = ( -0.0700000 0.0629508 0.0000000), wk = 0.0024155 k( 243) = ( -0.0800000 0.0719438 0.0000000), wk = 0.0024155 k( 244) = ( -0.0900000 0.0809368 0.0000000), wk = 0.0024155 k( 245) = ( -0.1000000 0.0899297 0.0000000), wk = 0.0024155 k( 246) = ( -0.1100000 0.0989227 0.0000000), wk = 0.0024155 k( 247) = ( -0.1200000 0.1079157 0.0000000), wk = 0.0024155 k( 248) = ( -0.1300000 0.1169087 0.0000000), wk = 0.0024155 k( 249) = ( -0.1400000 0.1259016 0.0000000), wk = 0.0024155 k( 250) = ( -0.1500000 0.1348946 0.0000000), wk = 0.0024155 k( 251) = ( -0.1600000 0.1438876 0.0000000), wk = 0.0024155 k( 252) = ( -0.1700000 0.1528806 0.0000000), wk = 0.0024155 k( 253) = ( -0.1800000 0.1618735 0.0000000), wk = 0.0024155 k( 254) = ( -0.1900000 0.1708665 0.0000000), wk = 0.0024155 k( 255) = ( -0.2000000 0.1798595 0.0000000), wk = 0.0024155 k( 256) = ( -0.2100000 0.1888525 0.0000000), wk = 0.0024155 k( 257) = ( -0.2200000 0.1978454 0.0000000), wk = 0.0024155 k( 258) = ( -0.2300000 0.2068384 0.0000000), wk = 0.0024155 k( 259) = ( -0.2400000 0.2158314 0.0000000), wk = 0.0024155 k( 260) = ( -0.2500000 0.2248244 0.0000000), wk = 0.0024155 k( 261) = ( -0.2600000 0.2338173 0.0000000), wk = 0.0024155 k( 262) = ( -0.2700000 0.2428103 0.0000000), wk = 0.0024155 k( 263) = ( -0.2800000 0.2518033 0.0000000), wk = 0.0024155 k( 264) = ( -0.2900000 0.2607963 0.0000000), wk = 0.0024155 k( 265) = ( -0.3000000 0.2697892 0.0000000), wk = 0.0024155 k( 266) = ( -0.3100000 0.2787822 0.0000000), wk = 0.0024155 k( 267) = ( -0.3200000 0.2877752 0.0000000), wk = 0.0024155 k( 268) = ( -0.3300000 0.2967681 0.0000000), wk = 0.0024155 k( 269) = ( -0.3400000 0.3057611 0.0000000), wk = 0.0024155 k( 270) = ( -0.3500000 0.3147541 0.0000000), wk = 0.0024155 k( 271) = ( -0.3600000 0.3237471 0.0000000), wk = 0.0024155 k( 272) = ( -0.3700000 0.3327400 0.0000000), wk = 0.0024155 k( 273) = ( -0.3800000 0.3417330 0.0000000), wk = 0.0024155 k( 274) = ( -0.3900000 0.3507260 0.0000000), wk = 0.0024155 k( 275) = ( -0.4000000 0.3597190 0.0000000), wk = 0.0024155 k( 276) = ( -0.4100000 0.3687119 0.0000000), wk = 0.0024155 k( 277) = ( -0.4200000 0.3777049 0.0000000), wk = 0.0024155 k( 278) = ( -0.4300000 0.3866979 0.0000000), wk = 0.0024155 k( 279) = ( -0.4400000 0.3956909 0.0000000), wk = 0.0024155 k( 280) = ( -0.4500000 0.4046838 0.0000000), wk = 0.0024155 k( 281) = ( -0.4600000 0.4136768 0.0000000), wk = 0.0024155 k( 282) = ( -0.4700000 0.4226698 0.0000000), wk = 0.0024155 k( 283) = ( -0.4800000 0.4316628 0.0000000), wk = 0.0024155 k( 284) = ( -0.4900000 0.4406557 0.0000000), wk = 0.0024155 k( 285) = ( -0.5000000 0.4496487 0.0000000), wk = 0.0024155 k( 286) = ( -0.5000000 0.4496487 0.0000000), wk = 0.0024155 k( 287) = ( -0.4920307 0.4585105 -0.0000000), wk = 0.0024155 k( 288) = ( -0.4840613 0.4673722 -0.0000000), wk = 0.0024155 k( 289) = ( -0.4760920 0.4762339 -0.0000000), wk = 0.0024155 k( 290) = ( -0.4681226 0.4850957 -0.0000000), wk = 0.0024155 k( 291) = ( -0.4601533 0.4939574 -0.0000000), wk = 0.0024155 k( 292) = ( -0.4521840 0.5028192 -0.0000000), wk = 0.0024155 k( 293) = ( -0.4521840 0.5028192 -0.0000000), wk = 0.0024155 k( 294) = ( -0.4521840 0.5028192 0.0133798), wk = 0.0024155 k( 295) = ( -0.4521840 0.5028192 0.0267596), wk = 0.0024155 k( 296) = ( -0.4521840 0.5028192 0.0401395), wk = 0.0024155 k( 297) = ( -0.4521840 0.5028192 0.0535193), wk = 0.0024155 k( 298) = ( -0.4521840 0.5028192 0.0668991), wk = 0.0024155 k( 299) = ( -0.4521840 0.5028192 0.0802789), wk = 0.0024155 k( 300) = ( -0.4521840 0.5028192 0.0936588), wk = 0.0024155 k( 301) = ( -0.4521840 0.5028192 0.1070386), wk = 0.0024155 k( 302) = ( -0.4521840 0.5028192 0.1204184), wk = 0.0024155 k( 303) = ( -0.4521840 0.5028192 0.1337982), wk = 0.0024155 k( 304) = ( -0.4521840 0.5028192 0.1471780), wk = 0.0024155 k( 305) = ( -0.4521840 0.5028192 0.1605579), wk = 0.0024155 k( 306) = ( -0.4521840 0.5028192 0.1739377), wk = 0.0024155 k( 307) = ( -0.4521840 0.5028192 0.1873175), wk = 0.0024155 k( 308) = ( -0.4521840 0.5028192 0.2006973), wk = 0.0024155 k( 309) = ( -0.4521840 0.5028192 0.2140772), wk = 0.0024155 k( 310) = ( -0.4521840 0.5028192 0.2274570), wk = 0.0024155 k( 311) = ( -0.4521840 0.5028192 0.2408368), wk = 0.0024155 k( 312) = ( -0.4521840 0.5028192 0.2542166), wk = 0.0024155 k( 313) = ( -0.4521840 0.5028192 0.2675964), wk = 0.0024155 k( 314) = ( -0.4521840 0.5028192 0.2809763), wk = 0.0024155 k( 315) = ( -0.4521840 0.5028192 0.2943561), wk = 0.0024155 k( 316) = ( -0.4521840 0.5028192 0.3077359), wk = 0.0024155 k( 317) = ( -0.4521840 0.5028192 0.3211157), wk = 0.0024155 k( 318) = ( -0.4521840 0.5028192 0.3344956), wk = 0.0024155 k( 319) = ( -0.4521840 0.5028192 0.3478754), wk = 0.0024155 k( 320) = ( -0.4521840 0.5028192 0.3612552), wk = 0.0024155 k( 321) = ( -0.4521840 0.5028192 0.3746350), wk = 0.0024155 k( 322) = ( -0.4521840 0.5028192 0.3880148), wk = 0.0024155 k( 323) = ( -0.4521840 0.5028192 0.4013947), wk = 0.0024155 k( 324) = ( -0.4521840 0.5028192 0.4147745), wk = 0.0024155 k( 325) = ( -0.4521840 0.5028192 0.4147745), wk = 0.0024155 k( 326) = ( -0.4601533 0.4939574 0.4147745), wk = 0.0024155 k( 327) = ( -0.4681226 0.4850957 0.4147745), wk = 0.0024155 k( 328) = ( -0.4760920 0.4762339 0.4147745), wk = 0.0024155 k( 329) = ( -0.4840613 0.4673722 0.4147745), wk = 0.0024155 k( 330) = ( -0.4920307 0.4585105 0.4147745), wk = 0.0024155 k( 331) = ( -0.5000000 0.4496487 0.4147745), wk = 0.0024155 k( 332) = ( -0.5000000 0.4496487 0.4147745), wk = 0.0024155 k( 333) = ( -0.5000000 0.4496487 0.4013947), wk = 0.0024155 k( 334) = ( -0.5000000 0.4496487 0.3880148), wk = 0.0024155 k( 335) = ( -0.5000000 0.4496487 0.3746350), wk = 0.0024155 k( 336) = ( -0.5000000 0.4496487 0.3612552), wk = 0.0024155 k( 337) = ( -0.5000000 0.4496487 0.3478754), wk = 0.0024155 k( 338) = ( -0.5000000 0.4496487 0.3344956), wk = 0.0024155 k( 339) = ( -0.5000000 0.4496487 0.3211157), wk = 0.0024155 k( 340) = ( -0.5000000 0.4496487 0.3077359), wk = 0.0024155 k( 341) = ( -0.5000000 0.4496487 0.2943561), wk = 0.0024155 k( 342) = ( -0.5000000 0.4496487 0.2809763), wk = 0.0024155 k( 343) = ( -0.5000000 0.4496487 0.2675964), wk = 0.0024155 k( 344) = ( -0.5000000 0.4496487 0.2542166), wk = 0.0024155 k( 345) = ( -0.5000000 0.4496487 0.2408368), wk = 0.0024155 k( 346) = ( -0.5000000 0.4496487 0.2274570), wk = 0.0024155 k( 347) = ( -0.5000000 0.4496487 0.2140772), wk = 0.0024155 k( 348) = ( -0.5000000 0.4496487 0.2006973), wk = 0.0024155 k( 349) = ( -0.5000000 0.4496487 0.1873175), wk = 0.0024155 k( 350) = ( -0.5000000 0.4496487 0.1739377), wk = 0.0024155 k( 351) = ( -0.5000000 0.4496487 0.1605579), wk = 0.0024155 k( 352) = ( -0.5000000 0.4496487 0.1471780), wk = 0.0024155 k( 353) = ( -0.5000000 0.4496487 0.1337982), wk = 0.0024155 k( 354) = ( -0.5000000 0.4496487 0.1204184), wk = 0.0024155 k( 355) = ( -0.5000000 0.4496487 0.1070386), wk = 0.0024155 k( 356) = ( -0.5000000 0.4496487 0.0936588), wk = 0.0024155 k( 357) = ( -0.5000000 0.4496487 0.0802789), wk = 0.0024155 k( 358) = ( -0.5000000 0.4496487 0.0668991), wk = 0.0024155 k( 359) = ( -0.5000000 0.4496487 0.0535193), wk = 0.0024155 k( 360) = ( -0.5000000 0.4496487 0.0401395), wk = 0.0024155 k( 361) = ( -0.5000000 0.4496487 0.0267596), wk = 0.0024155 k( 362) = ( -0.5000000 0.4496487 0.0133798), wk = 0.0024155 k( 363) = ( -0.5000000 0.4496487 0.0000000), wk = 0.0024155 k( 364) = ( 0.0000000 0.0000000 0.4147745), wk = 0.0024155 k( 365) = ( -0.0100000 0.0089930 0.4147745), wk = 0.0024155 k( 366) = ( -0.0200000 0.0179859 0.4147745), wk = 0.0024155 k( 367) = ( -0.0300000 0.0269789 0.4147745), wk = 0.0024155 k( 368) = ( -0.0400000 0.0359719 0.4147745), wk = 0.0024155 k( 369) = ( -0.0500000 0.0449649 0.4147745), wk = 0.0024155 k( 370) = ( -0.0600000 0.0539578 0.4147745), wk = 0.0024155 k( 371) = ( -0.0700000 0.0629508 0.4147745), wk = 0.0024155 k( 372) = ( -0.0800000 0.0719438 0.4147745), wk = 0.0024155 k( 373) = ( -0.0900000 0.0809368 0.4147745), wk = 0.0024155 k( 374) = ( -0.1000000 0.0899297 0.4147745), wk = 0.0024155 k( 375) = ( -0.1100000 0.0989227 0.4147745), wk = 0.0024155 k( 376) = ( -0.1200000 0.1079157 0.4147745), wk = 0.0024155 k( 377) = ( -0.1300000 0.1169087 0.4147745), wk = 0.0024155 k( 378) = ( -0.1400000 0.1259016 0.4147745), wk = 0.0024155 k( 379) = ( -0.1500000 0.1348946 0.4147745), wk = 0.0024155 k( 380) = ( -0.1600000 0.1438876 0.4147745), wk = 0.0024155 k( 381) = ( -0.1700000 0.1528806 0.4147745), wk = 0.0024155 k( 382) = ( -0.1800000 0.1618735 0.4147745), wk = 0.0024155 k( 383) = ( -0.1900000 0.1708665 0.4147745), wk = 0.0024155 k( 384) = ( -0.2000000 0.1798595 0.4147745), wk = 0.0024155 k( 385) = ( -0.2100000 0.1888525 0.4147745), wk = 0.0024155 k( 386) = ( -0.2200000 0.1978454 0.4147745), wk = 0.0024155 k( 387) = ( -0.2300000 0.2068384 0.4147745), wk = 0.0024155 k( 388) = ( -0.2400000 0.2158314 0.4147745), wk = 0.0024155 k( 389) = ( -0.2500000 0.2248244 0.4147745), wk = 0.0024155 k( 390) = ( -0.2600000 0.2338173 0.4147745), wk = 0.0024155 k( 391) = ( -0.2700000 0.2428103 0.4147745), wk = 0.0024155 k( 392) = ( -0.2800000 0.2518033 0.4147745), wk = 0.0024155 k( 393) = ( -0.2900000 0.2607963 0.4147745), wk = 0.0024155 k( 394) = ( -0.3000000 0.2697892 0.4147745), wk = 0.0024155 k( 395) = ( -0.3100000 0.2787822 0.4147745), wk = 0.0024155 k( 396) = ( -0.3200000 0.2877752 0.4147745), wk = 0.0024155 k( 397) = ( -0.3300000 0.2967681 0.4147745), wk = 0.0024155 k( 398) = ( -0.3400000 0.3057611 0.4147745), wk = 0.0024155 k( 399) = ( -0.3500000 0.3147541 0.4147745), wk = 0.0024155 k( 400) = ( -0.3600000 0.3237471 0.4147745), wk = 0.0024155 k( 401) = ( -0.3700000 0.3327400 0.4147745), wk = 0.0024155 k( 402) = ( -0.3800000 0.3417330 0.4147745), wk = 0.0024155 k( 403) = ( -0.3900000 0.3507260 0.4147745), wk = 0.0024155 k( 404) = ( -0.4000000 0.3597190 0.4147745), wk = 0.0024155 k( 405) = ( -0.4100000 0.3687119 0.4147745), wk = 0.0024155 k( 406) = ( -0.4200000 0.3777049 0.4147745), wk = 0.0024155 k( 407) = ( -0.4300000 0.3866979 0.4147745), wk = 0.0024155 k( 408) = ( -0.4400000 0.3956909 0.4147745), wk = 0.0024155 k( 409) = ( -0.4500000 0.4046838 0.4147745), wk = 0.0024155 k( 410) = ( -0.4600000 0.4136768 0.4147745), wk = 0.0024155 k( 411) = ( -0.4700000 0.4226698 0.4147745), wk = 0.0024155 k( 412) = ( -0.4800000 0.4316628 0.4147745), wk = 0.0024155 k( 413) = ( -0.4900000 0.4406557 0.4147745), wk = 0.0024155 k( 414) = ( -0.5000000 0.4496487 0.4147745), wk = 0.0024155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0090437 0.0090437 -0.0000000), wk = 0.0024155 k( 3) = ( 0.0180874 0.0180874 -0.0000000), wk = 0.0024155 k( 4) = ( 0.0271310 0.0271310 -0.0000000), wk = 0.0024155 k( 5) = ( 0.0361747 0.0361747 -0.0000000), wk = 0.0024155 k( 6) = ( 0.0452184 0.0452184 0.0000000), wk = 0.0024155 k( 7) = ( 0.0542621 0.0542621 -0.0000000), wk = 0.0024155 k( 8) = ( 0.0633057 0.0633057 -0.0000000), wk = 0.0024155 k( 9) = ( 0.0723494 0.0723494 -0.0000000), wk = 0.0024155 k( 10) = ( 0.0813931 0.0813931 0.0000000), wk = 0.0024155 k( 11) = ( 0.0904368 0.0904368 -0.0000000), wk = 0.0024155 k( 12) = ( 0.0994805 0.0994805 0.0000000), wk = 0.0024155 k( 13) = ( 0.1085241 0.1085242 0.0000000), wk = 0.0024155 k( 14) = ( 0.1175678 0.1175678 0.0000000), wk = 0.0024155 k( 15) = ( 0.1266115 0.1266115 -0.0000000), wk = 0.0024155 k( 16) = ( 0.1356552 0.1356552 -0.0000000), wk = 0.0024155 k( 17) = ( 0.1446989 0.1446989 -0.0000000), wk = 0.0024155 k( 18) = ( 0.1537426 0.1537426 0.0000000), wk = 0.0024155 k( 19) = ( 0.1627862 0.1627862 0.0000000), wk = 0.0024155 k( 20) = ( 0.1718299 0.1718299 -0.0000000), wk = 0.0024155 k( 21) = ( 0.1808736 0.1808736 -0.0000000), wk = 0.0024155 k( 22) = ( 0.1899173 0.1899173 -0.0000000), wk = 0.0024155 k( 23) = ( 0.1989609 0.1989609 0.0000000), wk = 0.0024155 k( 24) = ( 0.2080046 0.2080046 0.0000000), wk = 0.0024155 k( 25) = ( 0.2170483 0.2170483 0.0000000), wk = 0.0024155 k( 26) = ( 0.2260920 0.2260920 0.0000000), wk = 0.0024155 k( 27) = ( 0.2351357 0.2351357 0.0000000), wk = 0.0024155 k( 28) = ( 0.2441793 0.2441793 -0.0000000), wk = 0.0024155 k( 29) = ( 0.2532230 0.2532230 -0.0000000), wk = 0.0024155 k( 30) = ( 0.2622667 0.2622667 0.0000000), wk = 0.0024155 k( 31) = ( 0.2713104 0.2713104 -0.0000000), wk = 0.0024155 k( 32) = ( 0.2803541 0.2803541 0.0000000), wk = 0.0024155 k( 33) = ( 0.2893977 0.2893977 -0.0000000), wk = 0.0024155 k( 34) = ( 0.2984414 0.2984414 -0.0000000), wk = 0.0024155 k( 35) = ( 0.3074851 0.3074851 0.0000000), wk = 0.0024155 k( 36) = ( 0.3165288 0.3165288 -0.0000000), wk = 0.0024155 k( 37) = ( 0.3255725 0.3255725 -0.0000000), wk = 0.0024155 k( 38) = ( 0.3346161 0.3346161 0.0000000), wk = 0.0024155 k( 39) = ( 0.3436598 0.3436598 -0.0000000), wk = 0.0024155 k( 40) = ( 0.3527035 0.3527035 -0.0000000), wk = 0.0024155 k( 41) = ( 0.3617472 0.3617472 -0.0000000), wk = 0.0024155 k( 42) = ( 0.3707909 0.3707909 -0.0000000), wk = 0.0024155 k( 43) = ( 0.3798345 0.3798345 0.0000000), wk = 0.0024155 k( 44) = ( 0.3888782 0.3888782 -0.0000000), wk = 0.0024155 k( 45) = ( 0.3979219 0.3979219 -0.0000000), wk = 0.0024155 k( 46) = ( 0.4069656 0.4069656 0.0000000), wk = 0.0024155 k( 47) = ( 0.4160092 0.4160093 0.0000000), wk = 0.0024155 k( 48) = ( 0.4250529 0.4250529 0.0000000), wk = 0.0024155 k( 49) = ( 0.4340966 0.4340966 -0.0000000), wk = 0.0024155 k( 50) = ( 0.4431403 0.4431403 -0.0000000), wk = 0.0024155 k( 51) = ( 0.4521840 0.4521840 0.0000000), wk = 0.0024155 k( 52) = ( 0.4521840 0.4521840 0.0000000), wk = 0.0024155 k( 53) = ( 0.4384814 0.4536329 0.0000000), wk = 0.0024155 k( 54) = ( 0.4247789 0.4550819 0.0000000), wk = 0.0024155 k( 55) = ( 0.4110763 0.4565309 0.0000000), wk = 0.0024155 k( 56) = ( 0.3973738 0.4579799 -0.0000000), wk = 0.0024155 k( 57) = ( 0.3836712 0.4594288 0.0000000), wk = 0.0024155 k( 58) = ( 0.3699687 0.4608778 0.0000000), wk = 0.0024155 k( 59) = ( 0.3562662 0.4623268 -0.0000000), wk = 0.0024155 k( 60) = ( 0.3425636 0.4637757 -0.0000000), wk = 0.0024155 k( 61) = ( 0.3288611 0.4652247 0.0000000), wk = 0.0024155 k( 62) = ( 0.3151585 0.4666737 0.0000000), wk = 0.0024155 k( 63) = ( 0.3014560 0.4681226 0.0000000), wk = 0.0024155 k( 64) = ( 0.2877534 0.4695716 -0.0000000), wk = 0.0024155 k( 65) = ( 0.2740509 0.4710206 -0.0000000), wk = 0.0024155 k( 66) = ( 0.2603483 0.4724696 -0.0000000), wk = 0.0024155 k( 67) = ( 0.2466458 0.4739185 -0.0000000), wk = 0.0024155 k( 68) = ( 0.2329432 0.4753675 -0.0000000), wk = 0.0024155 k( 69) = ( 0.2192407 0.4768165 0.0000000), wk = 0.0024155 k( 70) = ( 0.2055382 0.4782654 0.0000000), wk = 0.0024155 k( 71) = ( 0.1918356 0.4797144 0.0000000), wk = 0.0024155 k( 72) = ( 0.1781331 0.4811634 0.0000000), wk = 0.0024155 k( 73) = ( 0.1644305 0.4826124 0.0000000), wk = 0.0024155 k( 74) = ( 0.1507280 0.4840613 0.0000000), wk = 0.0024155 k( 75) = ( 0.1370254 0.4855103 0.0000000), wk = 0.0024155 k( 76) = ( 0.1233229 0.4869593 0.0000000), wk = 0.0024155 k( 77) = ( 0.1096204 0.4884082 0.0000000), wk = 0.0024155 k( 78) = ( 0.0959178 0.4898572 0.0000000), wk = 0.0024155 k( 79) = ( 0.0822153 0.4913062 0.0000000), wk = 0.0024155 k( 80) = ( 0.0685127 0.4927552 -0.0000000), wk = 0.0024155 k( 81) = ( 0.0548102 0.4942041 0.0000000), wk = 0.0024155 k( 82) = ( 0.0411076 0.4956531 0.0000000), wk = 0.0024155 k( 83) = ( 0.0274051 0.4971021 0.0000000), wk = 0.0024155 k( 84) = ( 0.0137025 0.4985510 0.0000000), wk = 0.0024155 k( 85) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024155 k( 86) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024155 k( 87) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0024155 k( 88) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0024155 k( 89) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0024155 k( 90) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0024155 k( 91) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0024155 k( 92) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0024155 k( 93) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0024155 k( 94) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0024155 k( 95) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0024155 k( 96) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0024155 k( 97) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0024155 k( 98) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0024155 k( 99) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0024155 k( 100) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0024155 k( 101) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0024155 k( 102) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0024155 k( 103) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0024155 k( 104) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0024155 k( 105) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0024155 k( 106) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0024155 k( 107) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0024155 k( 108) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0024155 k( 109) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0024155 k( 110) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0024155 k( 111) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0024155 k( 112) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0024155 k( 113) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0024155 k( 114) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0024155 k( 115) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0024155 k( 116) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0024155 k( 117) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 118) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 119) = ( 0.0137025 0.4985510 0.5000000), wk = 0.0024155 k( 120) = ( 0.0274051 0.4971021 0.5000000), wk = 0.0024155 k( 121) = ( 0.0411076 0.4956531 0.5000000), wk = 0.0024155 k( 122) = ( 0.0548102 0.4942041 0.5000000), wk = 0.0024155 k( 123) = ( 0.0685127 0.4927552 0.5000000), wk = 0.0024155 k( 124) = ( 0.0822153 0.4913062 0.5000000), wk = 0.0024155 k( 125) = ( 0.0959178 0.4898572 0.5000000), wk = 0.0024155 k( 126) = ( 0.1096204 0.4884082 0.5000000), wk = 0.0024155 k( 127) = ( 0.1233229 0.4869593 0.5000000), wk = 0.0024155 k( 128) = ( 0.1370254 0.4855103 0.5000000), wk = 0.0024155 k( 129) = ( 0.1507280 0.4840613 0.5000000), wk = 0.0024155 k( 130) = ( 0.1644305 0.4826124 0.5000000), wk = 0.0024155 k( 131) = ( 0.1781331 0.4811634 0.5000000), wk = 0.0024155 k( 132) = ( 0.1918356 0.4797144 0.5000000), wk = 0.0024155 k( 133) = ( 0.2055382 0.4782654 0.5000000), wk = 0.0024155 k( 134) = ( 0.2192407 0.4768165 0.5000000), wk = 0.0024155 k( 135) = ( 0.2329432 0.4753675 0.5000000), wk = 0.0024155 k( 136) = ( 0.2466458 0.4739185 0.5000000), wk = 0.0024155 k( 137) = ( 0.2603483 0.4724696 0.5000000), wk = 0.0024155 k( 138) = ( 0.2740509 0.4710206 0.5000000), wk = 0.0024155 k( 139) = ( 0.2877534 0.4695716 0.5000000), wk = 0.0024155 k( 140) = ( 0.3014560 0.4681226 0.5000000), wk = 0.0024155 k( 141) = ( 0.3151585 0.4666737 0.5000000), wk = 0.0024155 k( 142) = ( 0.3288611 0.4652247 0.5000000), wk = 0.0024155 k( 143) = ( 0.3425636 0.4637757 0.5000000), wk = 0.0024155 k( 144) = ( 0.3562662 0.4623268 0.5000000), wk = 0.0024155 k( 145) = ( 0.3699687 0.4608778 0.5000000), wk = 0.0024155 k( 146) = ( 0.3836712 0.4594288 0.5000000), wk = 0.0024155 k( 147) = ( 0.3973738 0.4579799 0.5000000), wk = 0.0024155 k( 148) = ( 0.4110763 0.4565309 0.5000000), wk = 0.0024155 k( 149) = ( 0.4247789 0.4550819 0.5000000), wk = 0.0024155 k( 150) = ( 0.4384814 0.4536329 0.5000000), wk = 0.0024155 k( 151) = ( 0.4521840 0.4521840 0.5000000), wk = 0.0024155 k( 152) = ( 0.4521840 0.4521840 0.5000000), wk = 0.0024155 k( 153) = ( 0.4431403 0.4431403 0.5000000), wk = 0.0024155 k( 154) = ( 0.4340966 0.4340966 0.5000000), wk = 0.0024155 k( 155) = ( 0.4250529 0.4250529 0.5000000), wk = 0.0024155 k( 156) = ( 0.4160092 0.4160093 0.5000000), wk = 0.0024155 k( 157) = ( 0.4069656 0.4069656 0.5000000), wk = 0.0024155 k( 158) = ( 0.3979219 0.3979219 0.5000000), wk = 0.0024155 k( 159) = ( 0.3888782 0.3888782 0.5000000), wk = 0.0024155 k( 160) = ( 0.3798345 0.3798345 0.5000000), wk = 0.0024155 k( 161) = ( 0.3707909 0.3707909 0.5000000), wk = 0.0024155 k( 162) = ( 0.3617472 0.3617472 0.5000000), wk = 0.0024155 k( 163) = ( 0.3527035 0.3527035 0.5000000), wk = 0.0024155 k( 164) = ( 0.3436598 0.3436598 0.5000000), wk = 0.0024155 k( 165) = ( 0.3346161 0.3346161 0.5000000), wk = 0.0024155 k( 166) = ( 0.3255725 0.3255725 0.5000000), wk = 0.0024155 k( 167) = ( 0.3165288 0.3165288 0.5000000), wk = 0.0024155 k( 168) = ( 0.3074851 0.3074851 0.5000000), wk = 0.0024155 k( 169) = ( 0.2984414 0.2984414 0.5000000), wk = 0.0024155 k( 170) = ( 0.2893977 0.2893977 0.5000000), wk = 0.0024155 k( 171) = ( 0.2803541 0.2803541 0.5000000), wk = 0.0024155 k( 172) = ( 0.2713104 0.2713104 0.5000000), wk = 0.0024155 k( 173) = ( 0.2622667 0.2622667 0.5000000), wk = 0.0024155 k( 174) = ( 0.2532230 0.2532230 0.5000000), wk = 0.0024155 k( 175) = ( 0.2441793 0.2441793 0.5000000), wk = 0.0024155 k( 176) = ( 0.2351357 0.2351357 0.5000000), wk = 0.0024155 k( 177) = ( 0.2260920 0.2260920 0.5000000), wk = 0.0024155 k( 178) = ( 0.2170483 0.2170483 0.5000000), wk = 0.0024155 k( 179) = ( 0.2080046 0.2080046 0.5000000), wk = 0.0024155 k( 180) = ( 0.1989609 0.1989609 0.5000000), wk = 0.0024155 k( 181) = ( 0.1899173 0.1899173 0.5000000), wk = 0.0024155 k( 182) = ( 0.1808736 0.1808736 0.5000000), wk = 0.0024155 k( 183) = ( 0.1718299 0.1718299 0.5000000), wk = 0.0024155 k( 184) = ( 0.1627862 0.1627862 0.5000000), wk = 0.0024155 k( 185) = ( 0.1537426 0.1537426 0.5000000), wk = 0.0024155 k( 186) = ( 0.1446989 0.1446989 0.5000000), wk = 0.0024155 k( 187) = ( 0.1356552 0.1356552 0.5000000), wk = 0.0024155 k( 188) = ( 0.1266115 0.1266115 0.5000000), wk = 0.0024155 k( 189) = ( 0.1175678 0.1175678 0.5000000), wk = 0.0024155 k( 190) = ( 0.1085241 0.1085242 0.5000000), wk = 0.0024155 k( 191) = ( 0.0994805 0.0994805 0.5000000), wk = 0.0024155 k( 192) = ( 0.0904368 0.0904368 0.5000000), wk = 0.0024155 k( 193) = ( 0.0813931 0.0813931 0.5000000), wk = 0.0024155 k( 194) = ( 0.0723494 0.0723494 0.5000000), wk = 0.0024155 k( 195) = ( 0.0633057 0.0633057 0.5000000), wk = 0.0024155 k( 196) = ( 0.0542621 0.0542621 0.5000000), wk = 0.0024155 k( 197) = ( 0.0452184 0.0452184 0.5000000), wk = 0.0024155 k( 198) = ( 0.0361747 0.0361747 0.5000000), wk = 0.0024155 k( 199) = ( 0.0271310 0.0271310 0.5000000), wk = 0.0024155 k( 200) = ( 0.0180874 0.0180874 0.5000000), wk = 0.0024155 k( 201) = ( 0.0090437 0.0090437 0.5000000), wk = 0.0024155 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 204) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0024155 k( 205) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0024155 k( 206) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0024155 k( 207) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0024155 k( 208) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0024155 k( 209) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0024155 k( 210) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0024155 k( 211) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0024155 k( 212) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0024155 k( 213) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0024155 k( 214) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0024155 k( 215) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0024155 k( 216) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0024155 k( 217) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0024155 k( 218) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0024155 k( 219) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0024155 k( 220) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0024155 k( 221) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0024155 k( 222) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0024155 k( 223) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0024155 k( 224) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0024155 k( 225) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0024155 k( 226) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0024155 k( 227) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0024155 k( 228) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0024155 k( 229) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0024155 k( 230) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0024155 k( 231) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0024155 k( 232) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0024155 k( 233) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0024155 k( 234) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 236) = ( -0.0100000 0.0100000 0.0000000), wk = 0.0024155 k( 237) = ( -0.0200000 0.0200000 0.0000000), wk = 0.0024155 k( 238) = ( -0.0300000 0.0300000 0.0000000), wk = 0.0024155 k( 239) = ( -0.0400000 0.0400000 0.0000000), wk = 0.0024155 k( 240) = ( -0.0500000 0.0500000 0.0000000), wk = 0.0024155 k( 241) = ( -0.0600000 0.0600000 0.0000000), wk = 0.0024155 k( 242) = ( -0.0700000 0.0700000 0.0000000), wk = 0.0024155 k( 243) = ( -0.0800000 0.0800000 0.0000000), wk = 0.0024155 k( 244) = ( -0.0900000 0.0900000 0.0000000), wk = 0.0024155 k( 245) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0024155 k( 246) = ( -0.1100000 0.1100000 0.0000000), wk = 0.0024155 k( 247) = ( -0.1200000 0.1200000 0.0000000), wk = 0.0024155 k( 248) = ( -0.1300000 0.1300000 0.0000000), wk = 0.0024155 k( 249) = ( -0.1400000 0.1400000 0.0000000), wk = 0.0024155 k( 250) = ( -0.1500000 0.1500000 0.0000000), wk = 0.0024155 k( 251) = ( -0.1600000 0.1600000 0.0000000), wk = 0.0024155 k( 252) = ( -0.1700000 0.1700000 0.0000000), wk = 0.0024155 k( 253) = ( -0.1800000 0.1800000 0.0000000), wk = 0.0024155 k( 254) = ( -0.1900000 0.1900000 0.0000000), wk = 0.0024155 k( 255) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0024155 k( 256) = ( -0.2100000 0.2100000 0.0000000), wk = 0.0024155 k( 257) = ( -0.2200000 0.2200000 0.0000000), wk = 0.0024155 k( 258) = ( -0.2300000 0.2300000 0.0000000), wk = 0.0024155 k( 259) = ( -0.2400000 0.2400000 0.0000000), wk = 0.0024155 k( 260) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024155 k( 261) = ( -0.2600000 0.2600000 0.0000000), wk = 0.0024155 k( 262) = ( -0.2700000 0.2700000 0.0000000), wk = 0.0024155 k( 263) = ( -0.2800000 0.2800000 0.0000000), wk = 0.0024155 k( 264) = ( -0.2900000 0.2900000 0.0000000), wk = 0.0024155 k( 265) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0024155 k( 266) = ( -0.3100000 0.3100000 0.0000000), wk = 0.0024155 k( 267) = ( -0.3200000 0.3200000 0.0000000), wk = 0.0024155 k( 268) = ( -0.3300000 0.3300000 0.0000000), wk = 0.0024155 k( 269) = ( -0.3400000 0.3400000 0.0000000), wk = 0.0024155 k( 270) = ( -0.3500000 0.3500000 0.0000000), wk = 0.0024155 k( 271) = ( -0.3600000 0.3600000 0.0000000), wk = 0.0024155 k( 272) = ( -0.3700000 0.3700000 0.0000000), wk = 0.0024155 k( 273) = ( -0.3800000 0.3800000 0.0000000), wk = 0.0024155 k( 274) = ( -0.3900000 0.3900000 0.0000000), wk = 0.0024155 k( 275) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0024155 k( 276) = ( -0.4100000 0.4100000 0.0000000), wk = 0.0024155 k( 277) = ( -0.4200000 0.4200000 0.0000000), wk = 0.0024155 k( 278) = ( -0.4300000 0.4300000 0.0000000), wk = 0.0024155 k( 279) = ( -0.4400000 0.4400000 0.0000000), wk = 0.0024155 k( 280) = ( -0.4500000 0.4500000 0.0000000), wk = 0.0024155 k( 281) = ( -0.4600000 0.4600000 0.0000000), wk = 0.0024155 k( 282) = ( -0.4700000 0.4700000 0.0000000), wk = 0.0024155 k( 283) = ( -0.4800000 0.4800000 0.0000000), wk = 0.0024155 k( 284) = ( -0.4900000 0.4900000 0.0000000), wk = 0.0024155 k( 285) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024155 k( 286) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024155 k( 287) = ( -0.4920307 0.5079693 0.0000000), wk = 0.0024155 k( 288) = ( -0.4840613 0.5159387 0.0000000), wk = 0.0024155 k( 289) = ( -0.4760920 0.5239080 0.0000000), wk = 0.0024155 k( 290) = ( -0.4681226 0.5318774 0.0000000), wk = 0.0024155 k( 291) = ( -0.4601533 0.5398467 0.0000000), wk = 0.0024155 k( 292) = ( -0.4521840 0.5478160 0.0000000), wk = 0.0024155 k( 293) = ( -0.4521840 0.5478160 0.0000000), wk = 0.0024155 k( 294) = ( -0.4521840 0.5478160 0.0161290), wk = 0.0024155 k( 295) = ( -0.4521840 0.5478160 0.0322581), wk = 0.0024155 k( 296) = ( -0.4521840 0.5478160 0.0483871), wk = 0.0024155 k( 297) = ( -0.4521840 0.5478160 0.0645161), wk = 0.0024155 k( 298) = ( -0.4521840 0.5478160 0.0806452), wk = 0.0024155 k( 299) = ( -0.4521840 0.5478160 0.0967742), wk = 0.0024155 k( 300) = ( -0.4521840 0.5478160 0.1129032), wk = 0.0024155 k( 301) = ( -0.4521840 0.5478160 0.1290323), wk = 0.0024155 k( 302) = ( -0.4521840 0.5478160 0.1451613), wk = 0.0024155 k( 303) = ( -0.4521840 0.5478160 0.1612903), wk = 0.0024155 k( 304) = ( -0.4521840 0.5478160 0.1774194), wk = 0.0024155 k( 305) = ( -0.4521840 0.5478160 0.1935484), wk = 0.0024155 k( 306) = ( -0.4521840 0.5478160 0.2096774), wk = 0.0024155 k( 307) = ( -0.4521840 0.5478160 0.2258064), wk = 0.0024155 k( 308) = ( -0.4521840 0.5478160 0.2419355), wk = 0.0024155 k( 309) = ( -0.4521840 0.5478160 0.2580645), wk = 0.0024155 k( 310) = ( -0.4521840 0.5478160 0.2741936), wk = 0.0024155 k( 311) = ( -0.4521840 0.5478160 0.2903226), wk = 0.0024155 k( 312) = ( -0.4521840 0.5478160 0.3064516), wk = 0.0024155 k( 313) = ( -0.4521840 0.5478160 0.3225807), wk = 0.0024155 k( 314) = ( -0.4521840 0.5478160 0.3387097), wk = 0.0024155 k( 315) = ( -0.4521840 0.5478160 0.3548387), wk = 0.0024155 k( 316) = ( -0.4521840 0.5478160 0.3709677), wk = 0.0024155 k( 317) = ( -0.4521840 0.5478160 0.3870968), wk = 0.0024155 k( 318) = ( -0.4521840 0.5478160 0.4032258), wk = 0.0024155 k( 319) = ( -0.4521840 0.5478160 0.4193548), wk = 0.0024155 k( 320) = ( -0.4521840 0.5478160 0.4354839), wk = 0.0024155 k( 321) = ( -0.4521840 0.5478160 0.4516129), wk = 0.0024155 k( 322) = ( -0.4521840 0.5478160 0.4677419), wk = 0.0024155 k( 323) = ( -0.4521840 0.5478160 0.4838710), wk = 0.0024155 k( 324) = ( -0.4521840 0.5478160 0.5000000), wk = 0.0024155 k( 325) = ( -0.4521840 0.5478160 0.5000000), wk = 0.0024155 k( 326) = ( -0.4601533 0.5398467 0.5000000), wk = 0.0024155 k( 327) = ( -0.4681226 0.5318774 0.5000000), wk = 0.0024155 k( 328) = ( -0.4760920 0.5239080 0.5000000), wk = 0.0024155 k( 329) = ( -0.4840613 0.5159387 0.5000000), wk = 0.0024155 k( 330) = ( -0.4920307 0.5079693 0.5000000), wk = 0.0024155 k( 331) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 332) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 333) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0024155 k( 334) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0024155 k( 335) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0024155 k( 336) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0024155 k( 337) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0024155 k( 338) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0024155 k( 339) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0024155 k( 340) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0024155 k( 341) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0024155 k( 342) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0024155 k( 343) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0024155 k( 344) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0024155 k( 345) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0024155 k( 346) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0024155 k( 347) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0024155 k( 348) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0024155 k( 349) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0024155 k( 350) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0024155 k( 351) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0024155 k( 352) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0024155 k( 353) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0024155 k( 354) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0024155 k( 355) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0024155 k( 356) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0024155 k( 357) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0024155 k( 358) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0024155 k( 359) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0024155 k( 360) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0024155 k( 361) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0024155 k( 362) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0024155 k( 363) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024155 k( 364) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 365) = ( -0.0100000 0.0100000 0.5000000), wk = 0.0024155 k( 366) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0024155 k( 367) = ( -0.0300000 0.0300000 0.5000000), wk = 0.0024155 k( 368) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0024155 k( 369) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0024155 k( 370) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0024155 k( 371) = ( -0.0700000 0.0700000 0.5000000), wk = 0.0024155 k( 372) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0024155 k( 373) = ( -0.0900000 0.0900000 0.5000000), wk = 0.0024155 k( 374) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0024155 k( 375) = ( -0.1100000 0.1100000 0.5000000), wk = 0.0024155 k( 376) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0024155 k( 377) = ( -0.1300000 0.1300000 0.5000000), wk = 0.0024155 k( 378) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0024155 k( 379) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0024155 k( 380) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0024155 k( 381) = ( -0.1700000 0.1700000 0.5000000), wk = 0.0024155 k( 382) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0024155 k( 383) = ( -0.1900000 0.1900000 0.5000000), wk = 0.0024155 k( 384) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0024155 k( 385) = ( -0.2100000 0.2100000 0.5000000), wk = 0.0024155 k( 386) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0024155 k( 387) = ( -0.2300000 0.2300000 0.5000000), wk = 0.0024155 k( 388) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0024155 k( 389) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024155 k( 390) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0024155 k( 391) = ( -0.2700000 0.2700000 0.5000000), wk = 0.0024155 k( 392) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0024155 k( 393) = ( -0.2900000 0.2900000 0.5000000), wk = 0.0024155 k( 394) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0024155 k( 395) = ( -0.3100000 0.3100000 0.5000000), wk = 0.0024155 k( 396) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0024155 k( 397) = ( -0.3300000 0.3300000 0.5000000), wk = 0.0024155 k( 398) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0024155 k( 399) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0024155 k( 400) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0024155 k( 401) = ( -0.3700000 0.3700000 0.5000000), wk = 0.0024155 k( 402) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0024155 k( 403) = ( -0.3900000 0.3900000 0.5000000), wk = 0.0024155 k( 404) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0024155 k( 405) = ( -0.4100000 0.4100000 0.5000000), wk = 0.0024155 k( 406) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0024155 k( 407) = ( -0.4300000 0.4300000 0.5000000), wk = 0.0024155 k( 408) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0024155 k( 409) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0024155 k( 410) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0024155 k( 411) = ( -0.4700000 0.4700000 0.5000000), wk = 0.0024155 k( 412) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0024155 k( 413) = ( -0.4900000 0.4900000 0.5000000), wk = 0.0024155 k( 414) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024155 Dense grid: 50079 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 26391 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 156, 44) NL pseudopotentials 0.16 Mb ( 78, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1046) G-vector shells 0.00 Mb ( 538) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 156, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./ZnTe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.6 secs Computing kpt #: 2 total cpu time spent up to now is 43.9 secs Computing kpt #: 3 total cpu time spent up to now is 45.1 secs Computing kpt #: 4 total cpu time spent up to now is 46.2 secs Computing kpt #: 5 total cpu time spent up to now is 47.3 secs Computing kpt #: 6 total cpu time spent up to now is 48.3 secs Computing kpt #: 7 total cpu time spent up to now is 49.5 secs Computing kpt #: 8 total cpu time spent up to now is 50.5 secs Computing kpt #: 9 total cpu time spent up to now is 51.6 secs Computing kpt #: 10 total cpu time spent up to now is 52.9 secs Computing kpt #: 11 total cpu time spent up to now is 53.9 secs Computing kpt #: 12 total cpu time spent up to now is 54.9 secs Computing kpt #: 13 total cpu time spent up to now is 56.0 secs Computing kpt #: 14 total cpu time spent up to now is 57.0 secs Computing kpt #: 15 total cpu time spent up to now is 58.3 secs Computing kpt #: 16 total cpu time spent up to now is 59.7 secs Computing kpt #: 17 total cpu time spent up to now is 60.7 secs Computing kpt #: 18 total cpu time spent up to now is 61.7 secs Computing kpt #: 19 total cpu time spent up to now is 63.3 secs Computing kpt #: 20 total cpu time spent up to now is 64.7 secs Computing kpt #: 21 total cpu time spent up to now is 65.8 secs Computing kpt #: 22 total cpu time spent up to now is 66.8 secs Computing kpt #: 23 total cpu time spent up to now is 68.3 secs Computing kpt #: 24 total cpu time spent up to now is 69.2 secs Computing kpt #: 25 total cpu time spent up to now is 70.2 secs Computing kpt #: 26 total cpu time spent up to now is 71.3 secs Computing kpt #: 27 total cpu time spent up to now is 72.4 secs Computing kpt #: 28 total cpu time spent up to now is 73.4 secs Computing kpt #: 29 total cpu time spent up to now is 74.5 secs Computing kpt #: 30 total cpu time spent up to now is 75.8 secs Computing kpt #: 31 total cpu time spent up to now is 77.4 secs Computing kpt #: 32 total cpu time spent up to now is 80.3 secs Computing kpt #: 33 total cpu time spent up to now is 82.4 secs Computing kpt #: 34 total cpu time spent up to now is 83.8 secs Computing kpt #: 35 total cpu time spent up to now is 84.9 secs Computing kpt #: 36 total cpu time spent up to now is 86.1 secs Computing kpt #: 37 total cpu time spent up to now is 87.3 secs Computing kpt #: 38 total cpu time spent up to now is 88.4 secs Computing kpt #: 39 total cpu time spent up to now is 90.1 secs Computing kpt #: 40 total cpu time spent up to now is 91.7 secs Computing kpt #: 41 total cpu time spent up to now is 93.2 secs Computing kpt #: 42 total cpu time spent up to now is 94.5 secs Computing kpt #: 43 total cpu time spent up to now is 95.7 secs Computing kpt #: 44 total cpu time spent up to now is 97.4 secs Computing kpt #: 45 total cpu time spent up to now is 98.7 secs Computing kpt #: 46 total cpu time spent up to now is 99.7 secs Computing kpt #: 47 total cpu time spent up to now is 100.6 secs Computing kpt #: 48 total cpu time spent up to now is 101.5 secs Computing kpt #: 49 total cpu time spent up to now is 102.3 secs Computing kpt #: 50 total cpu time spent up to now is 103.6 secs Computing kpt #: 51 total cpu time spent up to now is 105.7 secs Computing kpt #: 52 total cpu time spent up to now is 107.6 secs Computing kpt #: 53 total cpu time spent up to now is 108.6 secs Computing kpt #: 54 total cpu time spent up to now is 109.5 secs Computing kpt #: 55 total cpu time spent up to now is 110.4 secs Computing kpt #: 56 total cpu time spent up to now is 111.5 secs Computing kpt #: 57 total cpu time spent up to now is 112.4 secs Computing kpt #: 58 total cpu time spent up to now is 113.3 secs Computing kpt #: 59 total cpu time spent up to now is 114.2 secs Computing kpt #: 60 total cpu time spent up to now is 115.2 secs Computing kpt #: 61 total cpu time spent up to now is 116.2 secs Computing kpt #: 62 total cpu time spent up to now is 117.3 secs Computing kpt #: 63 total cpu time spent up to now is 118.2 secs Computing kpt #: 64 total cpu time spent up to now is 119.2 secs Computing kpt #: 65 total cpu time spent up to now is 120.0 secs Computing kpt #: 66 total cpu time spent up to now is 121.3 secs Computing kpt #: 67 total cpu time spent up to now is 122.1 secs Computing kpt #: 68 total cpu time spent up to now is 123.1 secs Computing kpt #: 69 total cpu time spent up to now is 124.0 secs Computing kpt #: 70 total cpu time spent up to now is 124.9 secs Computing kpt #: 71 total cpu time spent up to now is 125.9 secs Computing kpt #: 72 total cpu time spent up to now is 126.9 secs Computing kpt #: 73 total cpu time spent up to now is 127.8 secs Computing kpt #: 74 total cpu time spent up to now is 128.8 secs Computing kpt #: 75 total cpu time spent up to now is 129.8 secs Computing kpt #: 76 total cpu time spent up to now is 131.0 secs Computing kpt #: 77 total cpu time spent up to now is 133.6 secs Computing kpt #: 78 total cpu time spent up to now is 136.1 secs Computing kpt #: 79 total cpu time spent up to now is 137.2 secs Computing kpt #: 80 total cpu time spent up to now is 138.5 secs Computing kpt #: 81 total cpu time spent up to now is 139.6 secs Computing kpt #: 82 total cpu time spent up to now is 140.9 secs Computing kpt #: 83 total cpu time spent up to now is 142.2 secs Computing kpt #: 84 total cpu time spent up to now is 143.5 secs Computing kpt #: 85 total cpu time spent up to now is 144.6 secs Computing kpt #: 86 total cpu time spent up to now is 145.9 secs Computing kpt #: 87 total cpu time spent up to now is 147.1 secs Computing kpt #: 88 total cpu time spent up to now is 148.3 secs Computing kpt #: 89 total cpu time spent up to now is 149.5 secs Computing kpt #: 90 total cpu time spent up to now is 150.6 secs Computing kpt #: 91 total cpu time spent up to now is 152.3 secs Computing kpt #: 92 total cpu time spent up to now is 153.3 secs Computing kpt #: 93 total cpu time spent up to now is 154.4 secs Computing kpt #: 94 total cpu time spent up to now is 155.4 secs Computing kpt #: 95 total cpu time spent up to now is 156.4 secs Computing kpt #: 96 total cpu time spent up to now is 158.8 secs Computing kpt #: 97 total cpu time spent up to now is 161.5 secs Computing kpt #: 98 total cpu time spent up to now is 163.1 secs Computing kpt #: 99 total cpu time spent up to now is 164.4 secs Computing kpt #: 100 total cpu time spent up to now is 165.3 secs Computing kpt #: 101 total cpu time spent up to now is 166.3 secs Computing kpt #: 102 total cpu time spent up to now is 167.2 secs Computing kpt #: 103 total cpu time spent up to now is 168.2 secs Computing kpt #: 104 total cpu time spent up to now is 169.1 secs Computing kpt #: 105 total cpu time spent up to now is 170.1 secs Computing kpt #: 106 total cpu time spent up to now is 171.3 secs Computing kpt #: 107 total cpu time spent up to now is 172.4 secs Computing kpt #: 108 total cpu time spent up to now is 173.5 secs Computing kpt #: 109 total cpu time spent up to now is 174.6 secs Computing kpt #: 110 total cpu time spent up to now is 175.6 secs Computing kpt #: 111 total cpu time spent up to now is 176.7 secs Computing kpt #: 112 total cpu time spent up to now is 177.8 secs Computing kpt #: 113 total cpu time spent up to now is 178.8 secs Computing kpt #: 114 total cpu time spent up to now is 179.8 secs Computing kpt #: 115 total cpu time spent up to now is 180.9 secs Computing kpt #: 116 total cpu time spent up to now is 181.8 secs Computing kpt #: 117 total cpu time spent up to now is 182.7 secs Computing kpt #: 118 total cpu time spent up to now is 183.7 secs Computing kpt #: 119 total cpu time spent up to now is 185.0 secs Computing kpt #: 120 total cpu time spent up to now is 187.5 secs Computing kpt #: 121 total cpu time spent up to now is 189.0 secs Computing kpt #: 122 total cpu time spent up to now is 190.0 secs Computing kpt #: 123 total cpu time spent up to now is 190.9 secs Computing kpt #: 124 total cpu time spent up to now is 191.9 secs Computing kpt #: 125 total cpu time spent up to now is 192.8 secs Computing kpt #: 126 total cpu time spent up to now is 193.9 secs Computing kpt #: 127 total cpu time spent up to now is 194.8 secs Computing kpt #: 128 total cpu time spent up to now is 195.8 secs Computing kpt #: 129 total cpu time spent up to now is 196.7 secs Computing kpt #: 130 total cpu time spent up to now is 197.7 secs Computing kpt #: 131 total cpu time spent up to now is 199.0 secs Computing kpt #: 132 total cpu time spent up to now is 199.9 secs Computing kpt #: 133 total cpu time spent up to now is 201.2 secs Computing kpt #: 134 total cpu time spent up to now is 202.3 secs Computing kpt #: 135 total cpu time spent up to now is 204.7 secs Computing kpt #: 136 total cpu time spent up to now is 207.2 secs Computing kpt #: 137 total cpu time spent up to now is 208.2 secs Computing kpt #: 138 total cpu time spent up to now is 209.2 secs Computing kpt #: 139 total cpu time spent up to now is 210.2 secs Computing kpt #: 140 total cpu time spent up to now is 211.2 secs Computing kpt #: 141 total cpu time spent up to now is 212.3 secs Computing kpt #: 142 total cpu time spent up to now is 213.4 secs Computing kpt #: 143 total cpu time spent up to now is 214.3 secs Computing kpt #: 144 total cpu time spent up to now is 215.3 secs Computing kpt #: 145 total cpu time spent up to now is 216.5 secs Computing kpt #: 146 total cpu time spent up to now is 217.4 secs Computing kpt #: 147 total cpu time spent up to now is 218.4 secs Computing kpt #: 148 total cpu time spent up to now is 219.4 secs Computing kpt #: 149 total cpu time spent up to now is 220.3 secs Computing kpt #: 150 total cpu time spent up to now is 221.3 secs Computing kpt #: 151 total cpu time spent up to now is 222.3 secs Computing kpt #: 152 total cpu time spent up to now is 223.3 secs Computing kpt #: 153 total cpu time spent up to now is 224.5 secs Computing kpt #: 154 total cpu time spent up to now is 225.6 secs Computing kpt #: 155 total cpu time spent up to now is 226.7 secs Computing kpt #: 156 total cpu time spent up to now is 227.7 secs Computing kpt #: 157 total cpu time spent up to now is 228.7 secs Computing kpt #: 158 total cpu time spent up to now is 229.9 secs Computing kpt #: 159 total cpu time spent up to now is 232.7 secs Computing kpt #: 160 total cpu time spent up to now is 234.6 secs Computing kpt #: 161 total cpu time spent up to now is 235.6 secs Computing kpt #: 162 total cpu time spent up to now is 236.6 secs Computing kpt #: 163 total cpu time spent up to now is 237.6 secs Computing kpt #: 164 total cpu time spent up to now is 238.6 secs Computing kpt #: 165 total cpu time spent up to now is 239.5 secs Computing kpt #: 166 total cpu time spent up to now is 240.7 secs Computing kpt #: 167 total cpu time spent up to now is 241.9 secs Computing kpt #: 168 total cpu time spent up to now is 243.1 secs Computing kpt #: 169 total cpu time spent up to now is 244.2 secs Computing kpt #: 170 total cpu time spent up to now is 245.3 secs Computing kpt #: 171 total cpu time spent up to now is 246.3 secs Computing kpt #: 172 total cpu time spent up to now is 247.5 secs Computing kpt #: 173 total cpu time spent up to now is 248.6 secs Computing kpt #: 174 total cpu time spent up to now is 249.6 secs Computing kpt #: 175 total cpu time spent up to now is 250.6 secs Computing kpt #: 176 total cpu time spent up to now is 251.6 secs Computing kpt #: 177 total cpu time spent up to now is 253.0 secs Computing kpt #: 178 total cpu time spent up to now is 255.7 secs Computing kpt #: 179 total cpu time spent up to now is 257.8 secs Computing kpt #: 180 total cpu time spent up to now is 258.8 secs Computing kpt #: 181 total cpu time spent up to now is 259.9 secs Computing kpt #: 182 total cpu time spent up to now is 261.1 secs Computing kpt #: 183 total cpu time spent up to now is 262.1 secs Computing kpt #: 184 total cpu time spent up to now is 263.2 secs Computing kpt #: 185 total cpu time spent up to now is 264.3 secs Computing kpt #: 186 total cpu time spent up to now is 265.3 secs Computing kpt #: 187 total cpu time spent up to now is 266.5 secs Computing kpt #: 188 total cpu time spent up to now is 267.6 secs Computing kpt #: 189 total cpu time spent up to now is 268.7 secs Computing kpt #: 190 total cpu time spent up to now is 269.7 secs Computing kpt #: 191 total cpu time spent up to now is 271.0 secs Computing kpt #: 192 total cpu time spent up to now is 272.0 secs Computing kpt #: 193 total cpu time spent up to now is 273.1 secs Computing kpt #: 194 total cpu time spent up to now is 274.2 secs Computing kpt #: 195 total cpu time spent up to now is 275.5 secs Computing kpt #: 196 total cpu time spent up to now is 276.5 secs Computing kpt #: 197 total cpu time spent up to now is 278.7 secs Computing kpt #: 198 total cpu time spent up to now is 281.1 secs Computing kpt #: 199 total cpu time spent up to now is 282.1 secs Computing kpt #: 200 total cpu time spent up to now is 283.1 secs Computing kpt #: 201 total cpu time spent up to now is 284.2 secs Computing kpt #: 202 total cpu time spent up to now is 285.4 secs Computing kpt #: 203 total cpu time spent up to now is 286.3 secs Computing kpt #: 204 total cpu time spent up to now is 287.3 secs Computing kpt #: 205 total cpu time spent up to now is 288.4 secs Computing kpt #: 206 total cpu time spent up to now is 289.6 secs Computing kpt #: 207 total cpu time spent up to now is 290.7 secs Computing kpt #: 208 total cpu time spent up to now is 291.7 secs Computing kpt #: 209 total cpu time spent up to now is 292.7 secs Computing kpt #: 210 total cpu time spent up to now is 293.8 secs Computing kpt #: 211 total cpu time spent up to now is 294.9 secs Computing kpt #: 212 total cpu time spent up to now is 296.3 secs Computing kpt #: 213 total cpu time spent up to now is 298.4 secs Computing kpt #: 214 total cpu time spent up to now is 301.9 secs Computing kpt #: 215 total cpu time spent up to now is 303.6 secs Computing kpt #: 216 total cpu time spent up to now is 305.2 secs Computing kpt #: 217 total cpu time spent up to now is 307.0 secs Computing kpt #: 218 total cpu time spent up to now is 309.5 secs Computing kpt #: 219 total cpu time spent up to now is 311.0 secs Computing kpt #: 220 total cpu time spent up to now is 312.4 secs Computing kpt #: 221 total cpu time spent up to now is 313.8 secs Computing kpt #: 222 total cpu time spent up to now is 315.1 secs Computing kpt #: 223 total cpu time spent up to now is 316.4 secs Computing kpt #: 224 total cpu time spent up to now is 317.7 secs Computing kpt #: 225 total cpu time spent up to now is 319.2 secs Computing kpt #: 226 total cpu time spent up to now is 320.9 secs Computing kpt #: 227 total cpu time spent up to now is 322.3 secs Computing kpt #: 228 total cpu time spent up to now is 323.6 secs Computing kpt #: 229 total cpu time spent up to now is 325.0 secs Computing kpt #: 230 total cpu time spent up to now is 326.6 secs Computing kpt #: 231 total cpu time spent up to now is 329.2 secs Computing kpt #: 232 total cpu time spent up to now is 332.3 secs Computing kpt #: 233 total cpu time spent up to now is 333.6 secs Computing kpt #: 234 total cpu time spent up to now is 334.8 secs Computing kpt #: 235 total cpu time spent up to now is 335.9 secs Computing kpt #: 236 total cpu time spent up to now is 337.1 secs Computing kpt #: 237 total cpu time spent up to now is 338.5 secs Computing kpt #: 238 total cpu time spent up to now is 339.5 secs Computing kpt #: 239 total cpu time spent up to now is 340.6 secs Computing kpt #: 240 total cpu time spent up to now is 341.6 secs Computing kpt #: 241 total cpu time spent up to now is 342.7 secs Computing kpt #: 242 total cpu time spent up to now is 343.8 secs Computing kpt #: 243 total cpu time spent up to now is 344.9 secs Computing kpt #: 244 total cpu time spent up to now is 345.9 secs Computing kpt #: 245 total cpu time spent up to now is 346.9 secs Computing kpt #: 246 total cpu time spent up to now is 348.0 secs Computing kpt #: 247 total cpu time spent up to now is 349.1 secs Computing kpt #: 248 total cpu time spent up to now is 350.2 secs Computing kpt #: 249 total cpu time spent up to now is 351.4 secs Computing kpt #: 250 total cpu time spent up to now is 354.1 secs Computing kpt #: 251 total cpu time spent up to now is 355.9 secs Computing kpt #: 252 total cpu time spent up to now is 357.1 secs Computing kpt #: 253 total cpu time spent up to now is 358.2 secs Computing kpt #: 254 total cpu time spent up to now is 359.3 secs Computing kpt #: 255 total cpu time spent up to now is 360.5 secs Computing kpt #: 256 total cpu time spent up to now is 361.8 secs Computing kpt #: 257 total cpu time spent up to now is 363.6 secs Computing kpt #: 258 total cpu time spent up to now is 365.3 secs Computing kpt #: 259 total cpu time spent up to now is 366.6 secs Computing kpt #: 260 total cpu time spent up to now is 367.9 secs Computing kpt #: 261 total cpu time spent up to now is 369.0 secs Computing kpt #: 262 total cpu time spent up to now is 369.9 secs Computing kpt #: 263 total cpu time spent up to now is 370.8 secs Computing kpt #: 264 total cpu time spent up to now is 371.7 secs Computing kpt #: 265 total cpu time spent up to now is 372.7 secs Computing kpt #: 266 total cpu time spent up to now is 373.5 secs Computing kpt #: 267 total cpu time spent up to now is 374.5 secs Computing kpt #: 268 total cpu time spent up to now is 376.3 secs Computing kpt #: 269 total cpu time spent up to now is 378.3 secs Computing kpt #: 270 total cpu time spent up to now is 380.0 secs Computing kpt #: 271 total cpu time spent up to now is 381.8 secs Computing kpt #: 272 total cpu time spent up to now is 383.1 secs Computing kpt #: 273 total cpu time spent up to now is 384.1 secs Computing kpt #: 274 total cpu time spent up to now is 385.0 secs Computing kpt #: 275 total cpu time spent up to now is 385.9 secs Computing kpt #: 276 total cpu time spent up to now is 386.8 secs Computing kpt #: 277 total cpu time spent up to now is 387.8 secs Computing kpt #: 278 total cpu time spent up to now is 388.9 secs Computing kpt #: 279 total cpu time spent up to now is 390.0 secs Computing kpt #: 280 total cpu time spent up to now is 390.9 secs Computing kpt #: 281 total cpu time spent up to now is 391.8 secs Computing kpt #: 282 total cpu time spent up to now is 392.6 secs Computing kpt #: 283 total cpu time spent up to now is 393.3 secs Computing kpt #: 284 total cpu time spent up to now is 394.1 secs Computing kpt #: 285 total cpu time spent up to now is 394.9 secs Computing kpt #: 286 total cpu time spent up to now is 395.9 secs Computing kpt #: 287 total cpu time spent up to now is 397.0 secs Computing kpt #: 288 total cpu time spent up to now is 397.8 secs Computing kpt #: 289 total cpu time spent up to now is 398.6 secs Computing kpt #: 290 total cpu time spent up to now is 400.1 secs Computing kpt #: 291 total cpu time spent up to now is 402.0 secs Computing kpt #: 292 total cpu time spent up to now is 404.3 secs Computing kpt #: 293 total cpu time spent up to now is 405.2 secs Computing kpt #: 294 total cpu time spent up to now is 406.3 secs Computing kpt #: 295 total cpu time spent up to now is 407.3 secs Computing kpt #: 296 total cpu time spent up to now is 408.3 secs Computing kpt #: 297 total cpu time spent up to now is 409.3 secs Computing kpt #: 298 total cpu time spent up to now is 410.1 secs Computing kpt #: 299 total cpu time spent up to now is 410.9 secs Computing kpt #: 300 total cpu time spent up to now is 411.7 secs Computing kpt #: 301 total cpu time spent up to now is 412.6 secs Computing kpt #: 302 total cpu time spent up to now is 413.5 secs Computing kpt #: 303 total cpu time spent up to now is 414.4 secs Computing kpt #: 304 total cpu time spent up to now is 415.3 secs Computing kpt #: 305 total cpu time spent up to now is 416.1 secs Computing kpt #: 306 total cpu time spent up to now is 417.1 secs Computing kpt #: 307 total cpu time spent up to now is 418.0 secs Computing kpt #: 308 total cpu time spent up to now is 419.1 secs Computing kpt #: 309 total cpu time spent up to now is 420.1 secs Computing kpt #: 310 total cpu time spent up to now is 421.1 secs Computing kpt #: 311 total cpu time spent up to now is 422.2 secs Computing kpt #: 312 total cpu time spent up to now is 423.2 secs Computing kpt #: 313 total cpu time spent up to now is 424.7 secs Computing kpt #: 314 total cpu time spent up to now is 427.7 secs Computing kpt #: 315 total cpu time spent up to now is 429.2 secs Computing kpt #: 316 total cpu time spent up to now is 430.6 secs Computing kpt #: 317 total cpu time spent up to now is 432.5 secs Computing kpt #: 318 total cpu time spent up to now is 433.8 secs Computing kpt #: 319 total cpu time spent up to now is 435.4 secs Computing kpt #: 320 total cpu time spent up to now is 436.6 secs Computing kpt #: 321 total cpu time spent up to now is 437.7 secs Computing kpt #: 322 total cpu time spent up to now is 438.8 secs Computing kpt #: 323 total cpu time spent up to now is 439.9 secs Computing kpt #: 324 total cpu time spent up to now is 440.9 secs Computing kpt #: 325 total cpu time spent up to now is 441.9 secs Computing kpt #: 326 total cpu time spent up to now is 442.9 secs Computing kpt #: 327 total cpu time spent up to now is 444.0 secs Computing kpt #: 328 total cpu time spent up to now is 445.0 secs Computing kpt #: 329 total cpu time spent up to now is 447.6 secs Computing kpt #: 330 total cpu time spent up to now is 449.6 secs Computing kpt #: 331 total cpu time spent up to now is 450.6 secs Computing kpt #: 332 total cpu time spent up to now is 451.6 secs Computing kpt #: 333 total cpu time spent up to now is 452.9 secs Computing kpt #: 334 total cpu time spent up to now is 454.1 secs Computing kpt #: 335 total cpu time spent up to now is 455.4 secs Computing kpt #: 336 total cpu time spent up to now is 456.8 secs Computing kpt #: 337 total cpu time spent up to now is 458.2 secs Computing kpt #: 338 total cpu time spent up to now is 459.7 secs Computing kpt #: 339 total cpu time spent up to now is 461.0 secs Computing kpt #: 340 total cpu time spent up to now is 462.2 secs Computing kpt #: 341 total cpu time spent up to now is 463.3 secs Computing kpt #: 342 total cpu time spent up to now is 464.4 secs Computing kpt #: 343 total cpu time spent up to now is 465.4 secs Computing kpt #: 344 total cpu time spent up to now is 466.5 secs Computing kpt #: 345 total cpu time spent up to now is 467.9 secs Computing kpt #: 346 total cpu time spent up to now is 468.9 secs Computing kpt #: 347 total cpu time spent up to now is 470.0 secs Computing kpt #: 348 total cpu time spent up to now is 472.3 secs Computing kpt #: 349 total cpu time spent up to now is 474.9 secs Computing kpt #: 350 total cpu time spent up to now is 475.8 secs Computing kpt #: 351 total cpu time spent up to now is 476.6 secs Computing kpt #: 352 total cpu time spent up to now is 477.4 secs Computing kpt #: 353 total cpu time spent up to now is 478.2 secs Computing kpt #: 354 total cpu time spent up to now is 479.0 secs Computing kpt #: 355 total cpu time spent up to now is 479.8 secs Computing kpt #: 356 total cpu time spent up to now is 480.7 secs Computing kpt #: 357 total cpu time spent up to now is 481.6 secs Computing kpt #: 358 total cpu time spent up to now is 482.6 secs Computing kpt #: 359 total cpu time spent up to now is 483.5 secs Computing kpt #: 360 total cpu time spent up to now is 484.3 secs Computing kpt #: 361 total cpu time spent up to now is 485.1 secs Computing kpt #: 362 total cpu time spent up to now is 485.9 secs Computing kpt #: 363 total cpu time spent up to now is 486.7 secs Computing kpt #: 364 total cpu time spent up to now is 487.6 secs Computing kpt #: 365 total cpu time spent up to now is 488.6 secs Computing kpt #: 366 total cpu time spent up to now is 490.1 secs Computing kpt #: 367 total cpu time spent up to now is 491.2 secs Computing kpt #: 368 total cpu time spent up to now is 492.4 secs Computing kpt #: 369 total cpu time spent up to now is 493.5 secs Computing kpt #: 370 total cpu time spent up to now is 496.1 secs Computing kpt #: 371 total cpu time spent up to now is 498.6 secs Computing kpt #: 372 total cpu time spent up to now is 499.7 secs Computing kpt #: 373 total cpu time spent up to now is 500.8 secs Computing kpt #: 374 total cpu time spent up to now is 502.0 secs Computing kpt #: 375 total cpu time spent up to now is 503.1 secs Computing kpt #: 376 total cpu time spent up to now is 504.2 secs Computing kpt #: 377 total cpu time spent up to now is 505.1 secs Computing kpt #: 378 total cpu time spent up to now is 506.5 secs Computing kpt #: 379 total cpu time spent up to now is 507.4 secs Computing kpt #: 380 total cpu time spent up to now is 508.3 secs Computing kpt #: 381 total cpu time spent up to now is 509.2 secs Computing kpt #: 382 total cpu time spent up to now is 510.4 secs Computing kpt #: 383 total cpu time spent up to now is 511.3 secs Computing kpt #: 384 total cpu time spent up to now is 512.2 secs Computing kpt #: 385 total cpu time spent up to now is 513.1 secs Computing kpt #: 386 total cpu time spent up to now is 514.1 secs Computing kpt #: 387 total cpu time spent up to now is 515.0 secs Computing kpt #: 388 total cpu time spent up to now is 516.2 secs Computing kpt #: 389 total cpu time spent up to now is 517.2 secs Computing kpt #: 390 total cpu time spent up to now is 518.1 secs Computing kpt #: 391 total cpu time spent up to now is 518.9 secs Computing kpt #: 392 total cpu time spent up to now is 519.8 secs Computing kpt #: 393 total cpu time spent up to now is 520.7 secs Computing kpt #: 394 total cpu time spent up to now is 522.4 secs Computing kpt #: 395 total cpu time spent up to now is 524.8 secs Computing kpt #: 396 total cpu time spent up to now is 526.7 secs Computing kpt #: 397 total cpu time spent up to now is 527.7 secs Computing kpt #: 398 total cpu time spent up to now is 528.7 secs Computing kpt #: 399 total cpu time spent up to now is 529.7 secs Computing kpt #: 400 total cpu time spent up to now is 530.7 secs Computing kpt #: 401 total cpu time spent up to now is 531.7 secs Computing kpt #: 402 total cpu time spent up to now is 532.9 secs Computing kpt #: 403 total cpu time spent up to now is 534.3 secs Computing kpt #: 404 total cpu time spent up to now is 535.3 secs Computing kpt #: 405 total cpu time spent up to now is 536.4 secs Computing kpt #: 406 total cpu time spent up to now is 537.3 secs Computing kpt #: 407 total cpu time spent up to now is 538.4 secs Computing kpt #: 408 total cpu time spent up to now is 539.4 secs Computing kpt #: 409 total cpu time spent up to now is 540.6 secs Computing kpt #: 410 total cpu time spent up to now is 541.6 secs Computing kpt #: 411 total cpu time spent up to now is 542.7 secs Computing kpt #: 412 total cpu time spent up to now is 543.7 secs Computing kpt #: 413 total cpu time spent up to now is 544.8 secs Computing kpt #: 414 total cpu time spent up to now is 546.2 secs ethr = 2.78E-11, avg # of iterations = 26.0 total cpu time spent up to now is 546.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3343 PWs) bands (ev): -4.8911 -4.8911 -2.6826 -2.6826 0.4398 0.4398 0.4528 0.4528 0.4670 0.4670 0.6119 0.6119 0.7423 0.7423 0.7983 0.7983 0.8449 0.8449 0.8724 0.8724 0.8852 0.8852 1.1853 1.1853 3.0187 3.0187 4.4316 4.4316 4.9647 4.9647 5.5786 5.5786 6.4159 6.4159 7.6509 7.6509 8.1906 8.1906 8.3979 8.3979 11.3189 11.3189 12.3407 12.3407 k = 0.0090 0.0101-0.0000 ( 3339 PWs) bands (ev): -4.8900 -4.8900 -2.6828 -2.6828 0.4397 0.4397 0.4526 0.4526 0.4672 0.4672 0.6118 0.6118 0.7422 0.7422 0.7984 0.7984 0.8449 0.8449 0.8723 0.8723 0.8853 0.8853 1.1845 1.1845 3.0201 3.0201 4.4241 4.4241 4.9476 4.9476 5.5991 5.5991 6.4193 6.4193 7.6488 7.6488 8.1891 8.1891 8.4022 8.4022 11.3183 11.3183 12.3356 12.3356 k = 0.0181 0.0201-0.0000 ( 3339 PWs) bands (ev): -4.8867 -4.8867 -2.6833 -2.6833 0.4396 0.4396 0.4520 0.4520 0.4676 0.4676 0.6113 0.6113 0.7416 0.7416 0.7987 0.7987 0.8449 0.8449 0.8720 0.8720 0.8854 0.8854 1.1820 1.1820 3.0243 3.0243 4.4022 4.4022 4.9019 4.9019 5.6549 5.6549 6.4288 6.4288 7.6427 7.6427 8.1847 8.1847 8.4152 8.4152 11.3165 11.3165 12.3200 12.3200 k = 0.0271 0.0302-0.0000 ( 3329 PWs) bands (ev): -4.8813 -4.8813 -2.6843 -2.6843 0.4394 0.4394 0.4511 0.4511 0.4683 0.4683 0.6105 0.6105 0.7407 0.7407 0.7993 0.7993 0.8449 0.8449 0.8716 0.8716 0.8856 0.8856 1.1780 1.1780 3.0313 3.0313 4.3668 4.3668 4.8388 4.8388 5.7347 5.7347 6.4432 6.4432 7.6325 7.6325 8.1777 8.1777 8.4374 8.4374 11.3136 11.3136 12.2937 12.2937 k = 0.0362 0.0402-0.0000 ( 3325 PWs) bands (ev): -4.8737 -4.8737 -2.6856 -2.6856 0.4390 0.4390 0.4499 0.4499 0.4690 0.4690 0.6095 0.6095 0.7395 0.7395 0.8001 0.8001 0.8448 0.8448 0.8710 0.8710 0.8859 0.8859 1.1724 1.1724 3.0410 3.0410 4.3195 4.3195 4.7670 4.7670 5.8293 5.8293 6.4603 6.4603 7.6184 7.6184 8.1684 8.1684 8.4698 8.4698 11.3098 11.3098 12.2570 12.2570 k = 0.0452 0.0503-0.0000 ( 3321 PWs) bands (ev): -4.8640 -4.8640 -2.6873 -2.6873 0.4385 0.4385 0.4486 0.4486 0.4698 0.4698 0.6080 0.6080 0.7380 0.7380 0.8010 0.8010 0.8447 0.8447 0.8703 0.8703 0.8861 0.8861 1.1653 1.1653 3.0533 3.0533 4.2621 4.2621 4.6920 4.6920 5.9326 5.9326 6.4778 6.4778 7.6005 7.6005 8.1573 8.1573 8.5132 8.5132 11.3052 11.3052 12.2109 12.2109 k = 0.0543 0.0603-0.0000 ( 3317 PWs) bands (ev): -4.8521 -4.8521 -2.6894 -2.6894 0.4379 0.4379 0.4472 0.4472 0.4706 0.4706 0.6063 0.6063 0.7363 0.7363 0.8021 0.8021 0.8445 0.8445 0.8695 0.8695 0.8864 0.8864 1.1569 1.1569 3.0683 3.0683 4.1963 4.1963 4.6172 4.6172 6.0402 6.0402 6.4937 6.4937 7.5792 7.5792 8.1453 8.1453 8.5685 8.5685 11.2997 11.2997 12.1565 12.1565 k = 0.0633 0.0704-0.0000 ( 3305 PWs) bands (ev): -4.8382 -4.8382 -2.6921 -2.6921 0.4372 0.4372 0.4459 0.4459 0.4714 0.4714 0.6044 0.6044 0.7345 0.7345 0.8033 0.8033 0.8442 0.8442 0.8686 0.8686 0.8868 0.8868 1.1473 1.1473 3.0857 3.0857 4.1238 4.1238 4.5444 4.5444 6.1481 6.1481 6.5070 6.5070 7.5549 7.5549 8.1333 8.1333 8.6364 8.6364 11.2932 11.2932 12.0949 12.0949 k = 0.0723 0.0805-0.0000 ( 3309 PWs) bands (ev): -4.8221 -4.8221 -2.6952 -2.6952 0.4363 0.4363 0.4445 0.4445 0.4721 0.4721 0.6020 0.6020 0.7324 0.7324 0.8046 0.8046 0.8438 0.8438 0.8677 0.8677 0.8871 0.8871 1.1366 1.1366 3.1053 3.1053 4.0461 4.0461 4.4750 4.4750 6.2509 6.2509 6.5189 6.5189 7.5282 7.5282 8.1227 8.1227 8.7172 8.7172 11.2853 11.2853 12.0273 12.0273 k = 0.0814 0.0905-0.0000 ( 3309 PWs) bands (ev): -4.8040 -4.8040 -2.6990 -2.6990 0.4353 0.4353 0.4432 0.4432 0.4727 0.4727 0.5994 0.5994 0.7303 0.7303 0.8060 0.8060 0.8432 0.8432 0.8668 0.8668 0.8873 0.8873 1.1249 1.1249 3.1271 3.1271 3.9646 3.9646 4.4097 4.4097 6.3377 6.3377 6.5363 6.5363 7.4998 7.4998 8.1155 8.1155 8.8107 8.8107 11.2750 11.2750 11.9546 11.9546 k = 0.0904 0.1006-0.0000 ( 3301 PWs) bands (ev): -4.7839 -4.7839 -2.7033 -2.7033 0.4341 0.4341 0.4420 0.4420 0.4733 0.4733 0.5966 0.5966 0.7282 0.7282 0.8076 0.8076 0.8425 0.8425 0.8659 0.8659 0.8876 0.8876 1.1125 1.1125 3.1505 3.1505 3.8808 3.8808 4.3491 4.3491 6.3884 6.3884 6.5755 6.5755 7.4705 7.4705 8.1140 8.1140 8.9163 8.9163 11.2614 11.2614 11.8779 11.8779 k = 0.0995 0.1106-0.0000 ( 3301 PWs) bands (ev): -4.7618 -4.7618 -2.7083 -2.7083 0.4328 0.4328 0.4409 0.4409 0.4737 0.4737 0.5935 0.5935 0.7261 0.7261 0.8092 0.8092 0.8416 0.8416 0.8651 0.8651 0.8878 0.8878 1.0995 1.0995 3.1750 3.1750 3.7962 3.7962 4.2935 4.2935 6.3967 6.3967 6.6391 6.6391 7.4414 7.4414 8.1213 8.1213 9.0331 9.0331 11.2431 11.2431 11.7980 11.7980 k = 0.1085 0.1207-0.0000 ( 3299 PWs) bands (ev): -4.7377 -4.7377 -2.7140 -2.7140 0.4315 0.4315 0.4399 0.4399 0.4741 0.4741 0.5902 0.5902 0.7240 0.7240 0.8108 0.8108 0.8404 0.8404 0.8643 0.8643 0.8879 0.8879 1.0861 1.0861 3.1996 3.1996 3.7126 3.7126 4.2429 4.2429 6.3790 6.3790 6.7065 6.7065 7.4131 7.4131 8.1412 8.1412 9.1598 9.1598 11.2181 11.2181 11.7156 11.7156 k = 0.1176 0.1307-0.0000 ( 3295 PWs) bands (ev): -4.7117 -4.7117 -2.7204 -2.7204 0.4302 0.4302 0.4389 0.4389 0.4744 0.4744 0.5866 0.5866 0.7221 0.7221 0.8126 0.8126 0.8391 0.8391 0.8635 0.8635 0.8879 0.8879 1.0726 1.0726 3.2221 3.2221 3.6328 3.6328 4.1976 4.1976 6.3468 6.3468 6.7627 6.7627 7.3862 7.3862 8.1775 8.1775 9.2946 9.2946 11.1846 11.1846 11.6314 11.6314 k = 0.1266 0.1408-0.0000 ( 3287 PWs) bands (ev): -4.6839 -4.6839 -2.7277 -2.7277 0.4289 0.4289 0.4380 0.4380 0.4745 0.4745 0.5829 0.5829 0.7204 0.7204 0.8143 0.8143 0.8376 0.8376 0.8628 0.8628 0.8879 0.8879 1.0590 1.0590 3.2381 3.2381 3.5619 3.5619 4.1574 4.1574 6.3048 6.3048 6.8011 6.8011 7.3603 7.3603 8.2335 8.2335 9.4355 9.4355 11.1410 11.1410 11.5458 11.5458 k = 0.1357 0.1508-0.0000 ( 3291 PWs) bands (ev): -4.6543 -4.6543 -2.7358 -2.7358 0.4276 0.4276 0.4371 0.4371 0.4746 0.4746 0.5789 0.5789 0.7188 0.7188 0.8161 0.8161 0.8359 0.8359 0.8622 0.8622 0.8877 0.8877 1.0456 1.0456 3.2385 3.2385 3.5092 3.5092 4.1223 4.1223 6.2551 6.2551 6.8199 6.8199 7.3345 7.3345 8.3107 8.3107 9.5793 9.5793 11.0867 11.0867 11.4593 11.4593 k = 0.1447 0.1609-0.0000 ( 3293 PWs) bands (ev): -4.6229 -4.6229 -2.7447 -2.7447 0.4264 0.4264 0.4362 0.4362 0.4746 0.4746 0.5748 0.5748 0.7176 0.7176 0.8179 0.8179 0.8340 0.8340 0.8615 0.8615 0.8873 0.8873 1.0327 1.0327 3.2124 3.2124 3.4862 3.4862 4.0925 4.0925 6.1989 6.1989 6.8205 6.8205 7.3073 7.3073 8.4087 8.4087 9.7212 9.7212 11.0239 11.0239 11.3723 11.3723 k = 0.1537 0.1710-0.0000 ( 3297 PWs) bands (ev): -4.5898 -4.5898 -2.7546 -2.7546 0.4255 0.4255 0.4354 0.4354 0.4745 0.4745 0.5707 0.5707 0.7166 0.7166 0.8198 0.8198 0.8319 0.8319 0.8609 0.8609 0.8868 0.8868 1.0202 1.0202 3.1602 3.1602 3.4924 3.4924 4.0678 4.0678 6.1374 6.1374 6.8061 6.8061 7.2774 7.2774 8.5252 8.5252 9.8527 9.8527 10.9597 10.9597 11.2853 11.2853 k = 0.1628 0.1810-0.0000 ( 3295 PWs) bands (ev): -4.5551 -4.5551 -2.7654 -2.7654 0.4247 0.4247 0.4345 0.4345 0.4744 0.4744 0.5664 0.5664 0.7160 0.7160 0.8216 0.8216 0.8298 0.8298 0.8603 0.8603 0.8861 0.8861 1.0086 1.0086 3.0933 3.0933 3.5168 3.5168 4.0484 4.0484 6.0711 6.0711 6.7805 6.7805 7.2441 7.2441 8.6572 8.6572 9.9588 9.9588 10.9097 10.9097 11.1987 11.1987 k = 0.1718 0.1911-0.0000 ( 3299 PWs) bands (ev): -4.5189 -4.5189 -2.7771 -2.7771 0.4240 0.4240 0.4338 0.4338 0.4742 0.4742 0.5622 0.5622 0.7158 0.7158 0.8233 0.8233 0.8277 0.8277 0.8596 0.8596 0.8851 0.8851 0.9978 0.9978 3.0204 3.0204 3.5505 3.5505 4.0343 4.0343 6.0009 6.0009 6.7466 6.7466 7.2075 7.2075 8.8012 8.8012 10.0158 10.0158 10.8989 10.8989 11.1133 11.1133 k = 0.1809 0.2011-0.0000 ( 3299 PWs) bands (ev): -4.4812 -4.4812 -2.7898 -2.7898 0.4237 0.4237 0.4330 0.4330 0.4739 0.4739 0.5580 0.5580 0.7159 0.7159 0.8236 0.8236 0.8269 0.8269 0.8590 0.8590 0.8838 0.8838 0.9879 0.9879 2.9457 2.9457 3.5893 3.5893 4.0257 4.0257 5.9271 5.9271 6.7069 6.7069 7.1678 7.1678 8.9543 8.9543 10.0039 10.0039 10.9470 10.9470 11.0319 11.0319 k = 0.1899 0.2112-0.0000 ( 3296 PWs) bands (ev): -4.4422 -4.4422 -2.8034 -2.8034 0.4236 0.4236 0.4324 0.4324 0.4737 0.4737 0.5540 0.5540 0.7165 0.7165 0.8217 0.8217 0.8282 0.8282 0.8584 0.8584 0.8823 0.8823 0.9792 0.9792 2.8712 2.8712 3.6310 3.6310 4.0228 4.0228 5.8503 5.8503 6.6630 6.6630 7.1256 7.1256 9.1135 9.1135 9.9281 9.9281 10.9399 10.9399 11.0670 11.0670 k = 0.1990 0.2212-0.0000 ( 3292 PWs) bands (ev): -4.4019 -4.4019 -2.8179 -2.8179 0.4239 0.4239 0.4318 0.4318 0.4734 0.4734 0.5501 0.5501 0.7176 0.7176 0.8192 0.8192 0.8300 0.8300 0.8577 0.8577 0.8806 0.8806 0.9717 0.9717 2.7981 2.7981 3.6741 3.6741 4.0258 4.0258 5.7708 5.7708 6.6163 6.6163 7.0814 7.0814 9.2757 9.2757 9.8100 9.8100 10.8606 10.8606 11.2173 11.2173 k = 0.2080 0.2313-0.0000 ( 3296 PWs) bands (ev): -4.3604 -4.3604 -2.8333 -2.8333 0.4244 0.4244 0.4312 0.4312 0.4731 0.4731 0.5464 0.5464 0.7190 0.7190 0.8165 0.8165 0.8318 0.8318 0.8571 0.8571 0.8786 0.8786 0.9653 0.9653 2.7270 2.7270 3.7175 3.7175 4.0353 4.0353 5.6889 5.6889 6.5676 6.5676 7.0357 7.0357 9.4352 9.4352 9.6709 9.6709 10.7815 10.7815 11.3944 11.3944 k = 0.2170 0.2414-0.0000 ( 3298 PWs) bands (ev): -4.3179 -4.3179 -2.8496 -2.8496 0.4253 0.4253 0.4308 0.4308 0.4728 0.4728 0.5430 0.5430 0.7208 0.7208 0.8138 0.8138 0.8334 0.8334 0.8565 0.8565 0.8766 0.8766 0.9600 0.9600 2.6581 2.6581 3.7605 3.7605 4.0516 4.0516 5.6048 5.6048 6.5177 6.5177 6.9890 6.9890 9.4845 9.4845 9.6264 9.6264 10.7044 10.7044 11.5876 11.5876 k = 0.2261 0.2514-0.0000 ( 3298 PWs) bands (ev): -4.2744 -4.2744 -2.8666 -2.8666 0.4266 0.4266 0.4305 0.4305 0.4725 0.4725 0.5399 0.5399 0.7230 0.7230 0.8112 0.8112 0.8348 0.8348 0.8561 0.8561 0.8746 0.8746 0.9558 0.9558 2.5919 2.5919 3.8023 3.8023 4.0751 4.0751 5.5188 5.5188 6.4671 6.4671 6.9416 6.9416 9.3311 9.3311 9.7722 9.7722 10.6299 10.6299 11.7916 11.7916 k = 0.2351 0.2615-0.0000 ( 3298 PWs) bands (ev): -4.2302 -4.2302 -2.8844 -2.8844 0.4284 0.4284 0.4303 0.4303 0.4722 0.4722 0.5373 0.5373 0.7256 0.7256 0.8085 0.8085 0.8357 0.8357 0.8560 0.8560 0.8727 0.8727 0.9525 0.9525 2.5284 2.5284 3.8425 3.8425 4.1059 4.1059 5.4310 5.4310 6.4161 6.4161 6.8940 6.8940 9.1633 9.1633 9.9194 9.9194 10.5589 10.5589 12.0035 12.0035 k = 0.2442 0.2715-0.0000 ( 3296 PWs) bands (ev): -4.1852 -4.1852 -2.9029 -2.9029 0.4301 0.4301 0.4307 0.4307 0.4720 0.4720 0.5350 0.5350 0.7285 0.7285 0.8060 0.8060 0.8361 0.8361 0.8565 0.8565 0.8710 0.8710 0.9500 0.9500 2.4677 2.4677 3.8812 3.8812 4.1437 4.1437 5.3416 5.3416 6.3652 6.3652 6.8464 6.8464 8.9933 8.9933 10.0520 10.0520 10.4929 10.4929 12.2215 12.2215 k = 0.2532 0.2816-0.0000 ( 3290 PWs) bands (ev): -4.1397 -4.1397 -2.9219 -2.9219 0.4303 0.4303 0.4334 0.4334 0.4718 0.4718 0.5332 0.5332 0.7317 0.7317 0.8036 0.8036 0.8357 0.8357 0.8577 0.8577 0.8696 0.8696 0.9483 0.9483 2.4100 2.4100 3.9188 3.9188 4.1876 4.1876 5.2507 5.2507 6.3146 6.3146 6.7991 6.7991 8.8238 8.8238 10.1586 10.1586 10.4365 10.4365 12.4444 12.4444 k = 0.2623 0.2916-0.0000 ( 3292 PWs) bands (ev): -4.0938 -4.0938 -2.9414 -2.9414 0.4305 0.4305 0.4367 0.4367 0.4716 0.4716 0.5319 0.5319 0.7350 0.7350 0.8015 0.8015 0.8347 0.8347 0.8596 0.8596 0.8686 0.8686 0.9471 0.9471 2.3552 2.3552 3.9561 3.9561 4.2368 4.2368 5.1585 5.1585 6.2646 6.2646 6.7523 6.7523 8.6563 8.6563 10.2182 10.2182 10.4031 10.4031 12.6714 12.6714 k = 0.2713 0.3017-0.0000 ( 3286 PWs) bands (ev): -4.0477 -4.0477 -2.9613 -2.9613 0.4307 0.4307 0.4407 0.4407 0.4714 0.4714 0.5311 0.5311 0.7385 0.7385 0.7996 0.7996 0.8333 0.8333 0.8619 0.8619 0.8680 0.8680 0.9463 0.9463 2.3035 2.3035 3.9938 3.9938 4.2902 4.2902 5.0651 5.0651 6.2153 6.2153 6.7062 6.7062 8.4919 8.4919 10.2131 10.2131 10.4026 10.4026 12.7761 12.7761 k = 0.2804 0.3117-0.0000 ( 3286 PWs) bands (ev): -4.0015 -4.0015 -2.9815 -2.9815 0.4311 0.4311 0.4453 0.4453 0.4713 0.4713 0.5309 0.5309 0.7420 0.7420 0.7981 0.7981 0.8316 0.8316 0.8644 0.8644 0.8681 0.8681 0.9460 0.9460 2.2547 2.2547 4.0324 4.0324 4.3467 4.3467 4.9709 4.9709 6.1670 6.1670 6.6609 6.6609 8.3317 8.3317 10.1711 10.1711 10.4011 10.4011 12.7739 12.7739 k = 0.2894 0.3218-0.0000 ( 3286 PWs) bands (ev): -3.9553 -3.9553 -3.0019 -3.0019 0.4315 0.4315 0.4506 0.4506 0.4712 0.4712 0.5311 0.5311 0.7455 0.7455 0.7970 0.7970 0.8299 0.8299 0.8659 0.8659 0.8700 0.8700 0.9460 0.9460 2.2090 2.2090 4.0720 4.0720 4.4056 4.4056 4.8765 4.8765 6.1198 6.1198 6.6167 6.6167 8.1762 8.1762 10.1186 10.1186 10.3703 10.3703 12.8104 12.8104 k = 0.2984 0.3319-0.0000 ( 3278 PWs) bands (ev): -3.9095 -3.9095 -3.0223 -3.0223 0.4320 0.4320 0.4566 0.4566 0.4713 0.4713 0.5320 0.5320 0.7488 0.7488 0.7965 0.7965 0.8281 0.8281 0.8665 0.8665 0.8735 0.8735 0.9463 0.9463 2.1664 2.1664 4.1123 4.1123 4.4657 4.4657 4.7829 4.7829 6.0739 6.0739 6.5736 6.5736 8.0260 8.0260 10.0633 10.0633 10.3052 10.3052 12.8892 12.8892 k = 0.3075 0.3419-0.0000 ( 3286 PWs) bands (ev): -3.8641 -3.8641 -3.0428 -3.0428 0.4326 0.4326 0.4626 0.4626 0.4720 0.4720 0.5334 0.5334 0.7519 0.7519 0.7963 0.7963 0.8265 0.8265 0.8672 0.8672 0.8776 0.8776 0.9468 0.9468 2.1268 2.1268 4.1518 4.1518 4.5251 4.5251 4.6935 4.6935 6.0293 6.0293 6.5319 6.5319 7.8817 7.8817 10.0063 10.0063 10.2112 10.2112 13.0048 13.0048 k = 0.3165 0.3520-0.0000 ( 3286 PWs) bands (ev): -3.8192 -3.8192 -3.0631 -3.0631 0.4331 0.4331 0.4668 0.4668 0.4752 0.4752 0.5355 0.5355 0.7547 0.7547 0.7966 0.7966 0.8251 0.8251 0.8682 0.8682 0.8822 0.8822 0.9475 0.9475 2.0902 2.0902 4.1869 4.1869 4.5642 4.5642 4.6313 4.6313 5.9863 5.9863 6.4915 6.4915 7.7437 7.7437 9.9439 9.9439 10.0995 10.0995 13.1485 13.1485 k = 0.3256 0.3620-0.0000 ( 3286 PWs) bands (ev): -3.7752 -3.7752 -3.0832 -3.0832 0.4337 0.4337 0.4679 0.4679 0.4821 0.4821 0.5383 0.5383 0.7571 0.7571 0.7973 0.7973 0.8239 0.8239 0.8697 0.8697 0.8871 0.8871 0.9484 0.9484 2.0566 2.0566 4.2081 4.2081 4.5207 4.5207 4.6679 4.6679 5.9449 5.9449 6.4527 6.4527 7.6122 7.6122 9.8610 9.8610 9.9924 9.9924 13.3015 13.3015 k = 0.3346 0.3721-0.0000 ( 3288 PWs) bands (ev): -3.7322 -3.7322 -3.1030 -3.1030 0.4343 0.4343 0.4680 0.4680 0.4903 0.4903 0.5420 0.5420 0.7594 0.7594 0.7983 0.7983 0.8230 0.8230 0.8719 0.8719 0.8923 0.8923 0.9494 0.9494 2.0261 2.0261 4.1964 4.1964 4.4878 4.4878 4.7290 4.7290 5.9053 5.9053 6.4154 6.4154 7.4875 7.4875 9.7372 9.7372 9.9158 9.9158 13.4114 13.4114 k = 0.3437 0.3821-0.0000 ( 3280 PWs) bands (ev): -3.6903 -3.6903 -3.1224 -3.1224 0.4349 0.4349 0.4678 0.4678 0.4989 0.4989 0.5468 0.5468 0.7613 0.7613 0.7994 0.7994 0.8225 0.8225 0.8748 0.8748 0.8979 0.8979 0.9506 0.9506 1.9986 1.9986 4.1416 4.1416 4.4974 4.4974 4.7926 4.7926 5.8677 5.8677 6.3799 6.3799 7.3699 7.3699 9.5850 9.5850 9.8617 9.8617 13.4528 13.4528 k = 0.3527 0.3922-0.0000 ( 3276 PWs) bands (ev): -3.6498 -3.6498 -3.1412 -3.1412 0.4355 0.4355 0.4674 0.4674 0.5070 0.5070 0.5529 0.5529 0.7631 0.7631 0.8005 0.8005 0.8224 0.8224 0.8786 0.8786 0.9038 0.9038 0.9518 0.9518 1.9743 1.9743 4.0587 4.0587 4.5364 4.5364 4.8566 4.8566 5.8320 5.8320 6.3462 6.3462 7.2595 7.2595 9.4203 9.4203 9.8174 9.8174 13.3346 13.3346 k = 0.3617 0.4023-0.0000 ( 3284 PWs) bands (ev): -3.6108 -3.6108 -3.1593 -3.1593 0.4361 0.4361 0.4670 0.4670 0.5144 0.5144 0.5604 0.5604 0.7647 0.7647 0.8014 0.8014 0.8225 0.8225 0.8834 0.8834 0.9101 0.9101 0.9532 0.9532 1.9532 1.9532 3.9628 3.9628 4.5901 4.5901 4.9206 4.9206 5.7986 5.7986 6.3143 6.3143 7.1563 7.1563 9.2499 9.2499 9.7786 9.7786 13.1881 13.1881 k = 0.3708 0.4123-0.0000 ( 3286 PWs) bands (ev): -3.5734 -3.5734 -3.1768 -3.1768 0.4367 0.4367 0.4666 0.4666 0.5207 0.5207 0.5693 0.5693 0.7662 0.7662 0.8022 0.8022 0.8229 0.8229 0.8892 0.8892 0.9169 0.9169 0.9546 0.9546 1.9354 1.9354 3.8609 3.8609 4.6514 4.6514 4.9842 4.9842 5.7675 5.7675 6.2845 6.2845 7.0604 7.0604 9.0768 9.0768 9.7439 9.7439 13.0446 13.0446 k = 0.3798 0.4224-0.0000 ( 3282 PWs) bands (ev): -3.5379 -3.5379 -3.1935 -3.1935 0.4373 0.4373 0.4662 0.4662 0.5261 0.5261 0.5793 0.5793 0.7675 0.7675 0.8028 0.8028 0.8235 0.8235 0.8960 0.8960 0.9244 0.9244 0.9563 0.9563 1.9211 1.9211 3.7561 3.7561 4.7170 4.7170 5.0473 5.0473 5.7390 5.7390 6.2567 6.2567 6.9718 6.9718 8.9030 8.9030 9.7128 9.7128 12.9069 12.9069 k = 0.3889 0.4324-0.0000 ( 3284 PWs) bands (ev): -3.5044 -3.5044 -3.2092 -3.2092 0.4379 0.4379 0.4657 0.4657 0.5306 0.5306 0.5896 0.5896 0.7687 0.7687 0.8033 0.8033 0.8241 0.8241 0.9032 0.9032 0.9331 0.9331 0.9581 0.9581 1.9103 1.9103 3.6502 3.6502 4.7850 4.7850 5.1096 5.1096 5.7135 5.7135 6.2311 6.2311 6.8904 6.8904 8.7298 8.7298 9.6850 9.6850 12.7761 12.7761 k = 0.3979 0.4425-0.0000 ( 3288 PWs) bands (ev): -3.4731 -3.4731 -3.2241 -3.2241 0.4385 0.4385 0.4653 0.4653 0.5345 0.5345 0.6000 0.6000 0.7697 0.7697 0.8037 0.8037 0.8247 0.8247 0.9103 0.9103 0.9430 0.9430 0.9607 0.9607 1.9032 1.9032 3.5442 3.5442 4.8539 4.8539 5.1711 5.1711 5.6915 5.6915 6.2078 6.2078 6.8163 6.8163 8.5585 8.5585 9.6604 9.6604 12.6527 12.6527 k = 0.4070 0.4525-0.0000 ( 3288 PWs) bands (ev): -3.4439 -3.4439 -3.2379 -3.2379 0.4390 0.4390 0.4648 0.4648 0.5379 0.5379 0.6099 0.6099 0.7705 0.7705 0.8041 0.8041 0.8252 0.8252 0.9169 0.9169 0.9526 0.9526 0.9657 0.9657 1.9002 1.9002 3.4390 3.4390 4.9220 4.9220 5.2313 5.2313 5.6737 5.6737 6.1871 6.1871 6.7492 6.7492 8.3898 8.3898 9.6388 9.6388 12.5372 12.5372 k = 0.4160 0.4626-0.0000 ( 3292 PWs) bands (ev): -3.4172 -3.4172 -3.2506 -3.2506 0.4395 0.4395 0.4644 0.4644 0.5410 0.5410 0.6190 0.6190 0.7711 0.7711 0.8045 0.8045 0.8256 0.8256 0.9225 0.9225 0.9580 0.9580 0.9768 0.9768 1.9012 1.9012 3.3356 3.3356 4.9878 4.9878 5.2892 5.2892 5.6616 5.6616 6.1691 6.1691 6.6891 6.6891 8.2247 8.2247 9.6200 9.6200 12.4302 12.4302 k = 0.4251 0.4727-0.0000 ( 3288 PWs) bands (ev): -3.3929 -3.3929 -3.2622 -3.2622 0.4400 0.4400 0.4640 0.4640 0.5437 0.5437 0.6272 0.6272 0.7715 0.7715 0.8049 0.8049 0.8260 0.8260 0.9274 0.9274 0.9607 0.9607 0.9920 0.9920 1.9065 1.9065 3.2348 3.2348 5.0497 5.0497 5.3428 5.3428 5.6576 5.6576 6.1542 6.1542 6.6360 6.6360 8.0642 8.0642 9.6040 9.6040 12.3322 12.3322 k = 0.4341 0.4827-0.0000 ( 3290 PWs) bands (ev): -3.3712 -3.3712 -3.2726 -3.2726 0.4405 0.4405 0.4637 0.4637 0.5460 0.5460 0.6344 0.6344 0.7718 0.7718 0.8053 0.8053 0.8262 0.8262 0.9315 0.9315 0.9626 0.9626 1.0088 1.0088 1.9161 1.9161 3.1375 3.1375 5.1063 5.1063 5.3882 5.3882 5.6649 5.6649 6.1429 6.1429 6.5896 6.5896 7.9094 7.9094 9.5905 9.5905 12.2436 12.2436 k = 0.4431 0.4928-0.0000 ( 3288 PWs) bands (ev): -3.3521 -3.3521 -3.2817 -3.2817 0.4409 0.4409 0.4633 0.4633 0.5481 0.5481 0.6405 0.6405 0.7720 0.7720 0.8056 0.8056 0.8264 0.8264 0.9349 0.9349 0.9642 0.9642 1.0256 1.0256 1.9299 1.9299 3.0451 3.0451 5.1566 5.1566 5.4213 5.4213 5.6866 5.6866 6.1359 6.1359 6.5501 6.5501 7.7616 7.7616 9.5793 9.5793 12.1650 12.1650 k = 0.4522 0.5028-0.0000 ( 3286 PWs) bands (ev): -3.3357 -3.3357 -3.2896 -3.2896 0.4413 0.4413 0.4631 0.4631 0.5499 0.5499 0.6456 0.6456 0.7721 0.7721 0.8059 0.8059 0.8266 0.8266 0.9377 0.9377 0.9656 0.9656 1.0416 1.0416 1.9472 1.9472 2.9588 2.9588 5.1998 5.1998 5.4410 5.4410 5.7217 5.7217 6.1340 6.1340 6.5174 6.5174 7.6226 7.6226 9.5703 9.5703 12.0969 12.0969 k = 0.4522 0.5028-0.0000 ( 3286 PWs) bands (ev): -3.3357 -3.3357 -3.2896 -3.2896 0.4413 0.4413 0.4631 0.4631 0.5499 0.5499 0.6456 0.6456 0.7721 0.7721 0.8059 0.8059 0.8266 0.8266 0.9377 0.9377 0.9656 0.9656 1.0416 1.0416 1.9472 1.9472 2.9588 2.9588 5.1998 5.1998 5.4410 5.4410 5.7217 5.7217 6.1340 6.1340 6.5174 6.5174 7.6226 7.6226 9.5703 9.5703 12.0969 12.0969 k = 0.4385 0.5028-0.0000 ( 3285 PWs) bands (ev): -3.3508 -3.3508 -3.2808 -3.2808 0.4410 0.4410 0.4632 0.4632 0.5484 0.5484 0.6422 0.6422 0.7716 0.7716 0.8058 0.8058 0.8265 0.8265 0.9355 0.9355 0.9643 0.9643 1.0311 1.0311 1.9378 1.9378 3.0175 3.0175 5.1713 5.1713 5.4279 5.4279 5.6956 5.6956 6.1246 6.1246 6.5520 6.5520 7.7172 7.7172 9.5801 9.5801 12.1426 12.1426 k = 0.4248 0.5028-0.0000 ( 3288 PWs) bands (ev): -3.3708 -3.3708 -3.2693 -3.2693 0.4405 0.4405 0.4634 0.4634 0.5461 0.5461 0.6383 0.6383 0.7704 0.7704 0.8058 0.8058 0.8263 0.8263 0.9322 0.9322 0.9624 0.9624 1.0205 1.0205 1.9350 1.9350 3.0811 3.0811 5.1399 5.1399 5.4080 5.4080 5.6723 5.6723 6.1001 6.1001 6.6123 6.6123 7.8188 7.8188 9.5988 9.5988 12.1946 12.1946 k = 0.4111 0.5028-0.0000 ( 3292 PWs) bands (ev): -3.3925 -3.3925 -3.2580 -3.2580 0.4400 0.4400 0.4635 0.4635 0.5431 0.5431 0.6337 0.6337 0.7684 0.7684 0.8058 0.8058 0.8261 0.8261 0.9280 0.9280 0.9598 0.9598 1.0102 1.0102 1.9386 1.9386 3.1492 3.1492 5.1065 5.1065 5.3829 5.3829 5.6517 5.6517 6.0670 6.0670 6.6912 6.6912 7.9262 7.9262 9.6263 9.6263 12.2529 12.2529 k = 0.3974 0.5028-0.0000 ( 3294 PWs) bands (ev): -3.4152 -3.4152 -3.2478 -3.2478 0.4393 0.4393 0.4635 0.4635 0.5394 0.5394 0.6286 0.6286 0.7659 0.7659 0.8059 0.8059 0.8258 0.8258 0.9229 0.9229 0.9565 0.9565 1.0004 1.0004 1.9482 1.9482 3.2210 3.2210 5.0718 5.0718 5.3549 5.3549 5.6327 5.6327 6.0304 6.0304 6.7830 6.7830 8.0385 8.0385 9.6625 9.6625 12.3171 12.3171 k = 0.3837 0.5028-0.0000 ( 3292 PWs) bands (ev): -3.4384 -3.4384 -3.2388 -3.2388 0.4385 0.4385 0.4636 0.4636 0.5351 0.5351 0.6228 0.6228 0.7628 0.7628 0.8060 0.8060 0.8254 0.8254 0.9171 0.9171 0.9525 0.9525 0.9916 0.9916 1.9634 1.9634 3.2961 3.2961 5.0366 5.0366 5.3259 5.3259 5.6139 5.6139 5.9939 5.9939 6.8839 6.8839 8.1551 8.1551 9.7072 9.7072 12.3873 12.3873 k = 0.3700 0.5028-0.0000 ( 3289 PWs) bands (ev): -3.4620 -3.4620 -3.2312 -3.2312 0.4376 0.4376 0.4635 0.4635 0.5303 0.5303 0.6163 0.6163 0.7594 0.7594 0.8060 0.8060 0.8248 0.8248 0.9109 0.9109 0.9475 0.9475 0.9841 0.9841 1.9833 1.9833 3.3737 3.3737 5.0017 5.0017 5.2970 5.2970 5.5946 5.5946 5.9594 5.9594 6.9918 6.9918 8.2755 8.2755 9.7602 9.7602 12.4633 12.4633 k = 0.3563 0.5028-0.0000 ( 3290 PWs) bands (ev): -3.4857 -3.4857 -3.2250 -3.2250 0.4365 0.4365 0.4634 0.4634 0.5251 0.5251 0.6093 0.6093 0.7556 0.7556 0.8061 0.8061 0.8242 0.8242 0.9045 0.9045 0.9415 0.9415 0.9782 0.9782 2.0072 2.0072 3.4533 3.4533 4.9681 4.9681 5.2692 5.2692 5.5746 5.5746 5.9280 5.9280 7.1054 7.1054 8.3992 8.3992 9.8211 9.8211 12.5447 12.5447 k = 0.3426 0.5028-0.0000 ( 3290 PWs) bands (ev): -3.5095 -3.5095 -3.2201 -3.2201 0.4353 0.4353 0.4631 0.4631 0.5196 0.5196 0.6017 0.6017 0.7516 0.7516 0.8061 0.8061 0.8233 0.8233 0.8983 0.8983 0.9347 0.9347 0.9736 0.9736 2.0344 2.0344 3.5342 3.5342 4.9366 4.9366 5.2427 5.2427 5.5539 5.5539 5.9007 5.9007 7.2236 7.2236 8.5259 8.5259 9.8898 9.8898 12.6314 12.6314 k = 0.3289 0.5028-0.0000 ( 3288 PWs) bands (ev): -3.5333 -3.5333 -3.2165 -3.2165 0.4339 0.4339 0.4627 0.4627 0.5139 0.5139 0.5936 0.5936 0.7474 0.7474 0.8061 0.8061 0.8224 0.8224 0.8922 0.8922 0.9276 0.9276 0.9701 0.9701 2.0641 2.0641 3.6154 3.6154 4.9077 4.9077 5.2178 5.2178 5.5328 5.5328 5.8780 5.8780 7.3459 7.3459 8.6552 8.6552 9.9659 9.9659 12.7225 12.7225 k = 0.3152 0.5028-0.0000 ( 3292 PWs) bands (ev): -3.5569 -3.5569 -3.2141 -3.2141 0.4323 0.4323 0.4622 0.4622 0.5082 0.5082 0.5852 0.5852 0.7431 0.7431 0.8062 0.8062 0.8212 0.8212 0.8865 0.8865 0.9205 0.9205 0.9673 0.9673 2.0957 2.0957 3.6962 3.6962 4.8824 4.8824 5.1947 5.1947 5.5117 5.5117 5.8606 5.8606 7.4716 7.4716 8.7867 8.7867 10.0489 10.0489 12.8100 12.8100 k = 0.3015 0.5028-0.0000 ( 3296 PWs) bands (ev): -3.5802 -3.5802 -3.2129 -3.2129 0.4306 0.4306 0.4616 0.4616 0.5025 0.5025 0.5764 0.5764 0.7387 0.7387 0.8064 0.8064 0.8200 0.8200 0.8813 0.8813 0.9137 0.9137 0.9649 0.9649 2.1282 2.1282 3.7754 3.7754 4.8611 4.8611 5.1735 5.1735 5.4908 5.4908 5.8493 5.8493 7.6003 7.6003 8.9201 8.9201 10.1387 10.1387 12.6914 12.6914 k = 0.2878 0.5028-0.0000 ( 3296 PWs) bands (ev): -3.6032 -3.6032 -3.2128 -3.2128 0.4286 0.4286 0.4607 0.4607 0.4971 0.4971 0.5675 0.5675 0.7342 0.7342 0.8066 0.8066 0.8187 0.8187 0.8766 0.8766 0.9073 0.9073 0.9628 0.9628 2.1612 2.1612 3.8520 3.8520 4.8446 4.8446 5.1544 5.1544 5.4702 5.4702 5.8450 5.8450 7.7315 7.7315 9.0549 9.0549 10.2347 10.2347 12.4878 12.4878 k = 0.2741 0.5028-0.0000 ( 3294 PWs) bands (ev): -3.6257 -3.6257 -3.2136 -3.2136 0.4264 0.4264 0.4597 0.4597 0.4920 0.4920 0.5586 0.5586 0.7298 0.7298 0.8068 0.8068 0.8174 0.8174 0.8723 0.8723 0.9013 0.9013 0.9609 0.9609 2.1939 2.1939 3.9245 3.9245 4.8334 4.8334 5.1377 5.1377 5.4500 5.4500 5.8486 5.8486 7.8649 7.8649 9.1906 9.1906 10.3366 10.3366 12.2822 12.2822 k = 0.2603 0.5028-0.0000 ( 3297 PWs) bands (ev): -3.6477 -3.6477 -3.2152 -3.2152 0.4239 0.4239 0.4584 0.4584 0.4874 0.4874 0.5498 0.5498 0.7254 0.7254 0.8071 0.8071 0.8162 0.8162 0.8684 0.8684 0.8958 0.8958 0.9592 0.9592 2.2259 2.2259 3.9916 3.9916 4.8279 4.8279 5.1238 5.1238 5.4299 5.4299 5.8613 5.8613 7.9998 7.9998 9.3265 9.3265 10.4440 10.4440 12.0775 12.0775 k = 0.2466 0.5028-0.0000 ( 3294 PWs) bands (ev): -3.6691 -3.6691 -3.2177 -3.2177 0.4212 0.4212 0.4568 0.4568 0.4833 0.4833 0.5413 0.5413 0.7210 0.7210 0.8072 0.8072 0.8152 0.8152 0.8650 0.8650 0.8907 0.8907 0.9575 0.9575 2.2567 2.2567 4.0518 4.0518 4.8284 4.8284 5.1135 5.1135 5.4100 5.4100 5.8838 5.8838 8.1357 8.1357 9.4618 9.4618 10.5566 10.5566 11.8755 11.8755 k = 0.2329 0.5028-0.0000 ( 3294 PWs) bands (ev): -3.6897 -3.6897 -3.2207 -3.2207 0.4182 0.4182 0.4550 0.4550 0.4798 0.4798 0.5331 0.5331 0.7168 0.7168 0.8070 0.8070 0.8146 0.8146 0.8619 0.8619 0.8861 0.8861 0.9558 0.9558 2.2858 2.2858 4.1040 4.1040 4.8342 4.8342 5.1080 5.1080 5.3902 5.3902 5.9166 5.9166 8.2721 8.2721 9.5951 9.5951 10.6739 10.6739 11.6778 11.6778 k = 0.2192 0.5028-0.0000 ( 3298 PWs) bands (ev): -3.7096 -3.7096 -3.2243 -3.2243 0.4151 0.4151 0.4530 0.4530 0.4767 0.4767 0.5253 0.5253 0.7126 0.7126 0.8064 0.8064 0.8145 0.8145 0.8591 0.8591 0.8819 0.8819 0.9542 0.9542 2.3129 2.3129 4.1473 4.1473 4.8441 4.8441 5.1089 5.1089 5.3707 5.3707 5.9601 5.9601 8.4080 8.4080 9.7249 9.7249 10.7954 10.7954 11.4866 11.4866 k = 0.2055 0.5028-0.0000 ( 3292 PWs) bands (ev): -3.7286 -3.7286 -3.2283 -3.2283 0.4118 0.4118 0.4509 0.4509 0.4740 0.4740 0.5181 0.5181 0.7086 0.7086 0.8055 0.8055 0.8150 0.8150 0.8566 0.8566 0.8781 0.8781 0.9526 0.9526 2.3378 2.3378 4.1815 4.1815 4.8556 4.8556 5.1183 5.1183 5.3521 5.3521 6.0139 6.0139 8.5425 8.5425 9.8482 9.8482 10.9200 10.9200 11.3049 11.3049 k = 0.1918 0.5028-0.0000 ( 3294 PWs) bands (ev): -3.7468 -3.7468 -3.2326 -3.2326 0.4085 0.4085 0.4486 0.4486 0.4716 0.4716 0.5116 0.5116 0.7047 0.7047 0.8043 0.8043 0.8158 0.8158 0.8543 0.8543 0.8746 0.8746 0.9510 0.9510 2.3604 2.3604 4.2073 4.2073 4.8658 4.8658 5.1372 5.1372 5.3356 5.3356 6.0775 6.0775 8.6744 8.6744 9.9607 9.9607 11.0391 11.0391 11.1453 11.1453 k = 0.1781 0.5028-0.0000 ( 3292 PWs) bands (ev): -3.7639 -3.7639 -3.2371 -3.2371 0.4053 0.4053 0.4463 0.4463 0.4693 0.4693 0.5058 0.5058 0.7009 0.7009 0.8030 0.8030 0.8170 0.8170 0.8523 0.8523 0.8714 0.8714 0.9495 0.9495 2.3806 2.3806 4.2256 4.2256 4.8727 4.8727 5.1642 5.1642 5.3237 5.3237 6.1499 6.1499 8.8018 8.8018 10.0545 10.0545 10.9743 10.9743 11.1926 11.1926 k = 0.1644 0.5028-0.0000 ( 3286 PWs) bands (ev): -3.7800 -3.7800 -3.2417 -3.2417 0.4022 0.4022 0.4439 0.4439 0.4672 0.4672 0.5008 0.5008 0.6974 0.6974 0.8016 0.8016 0.8183 0.8183 0.8505 0.8505 0.8686 0.8686 0.9480 0.9480 2.3984 2.3984 4.2379 4.2379 4.8758 4.8758 5.1918 5.1918 5.3231 5.3231 6.2300 6.2300 8.9227 8.9227 10.1164 10.1164 10.8588 10.8588 11.3252 11.3252 k = 0.1507 0.5028-0.0000 ( 3294 PWs) bands (ev): -3.7950 -3.7950 -3.2464 -3.2464 0.3991 0.3991 0.4415 0.4415 0.4650 0.4650 0.4966 0.4966 0.6941 0.6941 0.8002 0.8002 0.8196 0.8196 0.8488 0.8488 0.8661 0.8661 0.9465 0.9465 2.4139 2.4139 4.2454 4.2454 4.8757 4.8757 5.2070 5.2070 5.3450 5.3450 6.3162 6.3162 9.0343 9.0343 10.1293 10.1293 10.7883 10.7883 11.4625 11.4625 k = 0.1370 0.5028-0.0000 ( 3288 PWs) bands (ev): -3.8088 -3.8088 -3.2509 -3.2509 0.3964 0.3964 0.4390 0.4390 0.4630 0.4630 0.4931 0.4931 0.6910 0.6910 0.7988 0.7988 0.8211 0.8211 0.8473 0.8473 0.8639 0.8639 0.9451 0.9451 2.4273 2.4273 4.2494 4.2494 4.8735 4.8735 5.2059 5.2059 5.3907 5.3907 6.4069 6.4069 9.1327 9.1327 10.0871 10.0871 10.7693 10.7693 11.6020 11.6020 k = 0.1233 0.5028-0.0000 ( 3286 PWs) bands (ev): -3.8215 -3.8215 -3.2553 -3.2553 0.3939 0.3939 0.4365 0.4365 0.4611 0.4611 0.4903 0.4903 0.6882 0.6882 0.7976 0.7976 0.8225 0.8225 0.8460 0.8460 0.8619 0.8619 0.9437 0.9437 2.4386 2.4386 4.2509 4.2509 4.8701 4.8701 5.1965 5.1965 5.4499 5.4499 6.5004 6.5004 9.2139 9.2139 10.0068 10.0068 10.7851 10.7851 11.7426 11.7426 k = 0.1096 0.5028-0.0000 ( 3289 PWs) bands (ev): -3.8330 -3.8330 -3.2594 -3.2594 0.3916 0.3916 0.4340 0.4340 0.4593 0.4593 0.4880 0.4880 0.6856 0.6856 0.7963 0.7963 0.8239 0.8239 0.8448 0.8448 0.8601 0.8601 0.9424 0.9424 2.4480 2.4480 4.2507 4.2507 4.8662 4.8662 5.1843 5.1843 5.5150 5.5150 6.5945 6.5945 9.2732 9.2732 9.9112 9.9112 10.8156 10.8156 11.8829 11.8829 k = 0.0959 0.5028-0.0000 ( 3289 PWs) bands (ev): -3.8432 -3.8432 -3.2632 -3.2632 0.3896 0.3896 0.4316 0.4316 0.4577 0.4577 0.4863 0.4863 0.6833 0.6833 0.7952 0.7952 0.8252 0.8252 0.8438 0.8438 0.8585 0.8585 0.9412 0.9412 2.4558 2.4558 4.2493 4.2493 4.8622 4.8622 5.1718 5.1718 5.5816 5.5816 6.6870 6.6870 9.3076 9.3076 9.8153 9.8153 10.8516 10.8516 12.0209 12.0209 k = 0.0822 0.5028-0.0000 ( 3290 PWs) bands (ev): -3.8520 -3.8520 -3.2666 -3.2666 0.3879 0.3879 0.4293 0.4293 0.4563 0.4563 0.4849 0.4849 0.6813 0.6813 0.7943 0.7943 0.8265 0.8265 0.8429 0.8429 0.8572 0.8572 0.9402 0.9402 2.4621 2.4621 4.2474 4.2474 4.8584 4.8584 5.1600 5.1600 5.6467 5.6467 6.7755 6.7755 9.3176 9.3176 9.7257 9.7257 10.8925 10.8925 12.1230 12.1230 k = 0.0685 0.5028-0.0000 ( 3292 PWs) bands (ev): -3.8596 -3.8596 -3.2696 -3.2696 0.3864 0.3864 0.4273 0.4273 0.4551 0.4551 0.4839 0.4839 0.6796 0.6796 0.7934 0.7934 0.8275 0.8275 0.8422 0.8422 0.8561 0.8561 0.9392 0.9392 2.4672 2.4672 4.2453 4.2453 4.8550 4.8550 5.1494 5.1494 5.7076 5.7076 6.8573 6.8573 9.3087 9.3087 9.6443 9.6443 10.9391 10.9391 12.2012 12.2012 k = 0.0548 0.5028-0.0000 ( 3296 PWs) bands (ev): -3.8658 -3.8658 -3.2721 -3.2721 0.3852 0.3852 0.4256 0.4256 0.4541 0.4541 0.4831 0.4831 0.6782 0.6782 0.7927 0.7927 0.8284 0.8284 0.8416 0.8416 0.8552 0.8552 0.9384 0.9384 2.4710 2.4710 4.2432 4.2432 4.8521 4.8521 5.1404 5.1404 5.7619 5.7619 6.9295 6.9295 9.2902 9.2902 9.5703 9.5703 10.9902 10.9902 12.2895 12.2895 k = 0.0411 0.5028-0.0000 ( 3295 PWs) bands (ev): -3.8707 -3.8707 -3.2741 -3.2741 0.3843 0.3843 0.4241 0.4241 0.4534 0.4534 0.4825 0.4825 0.6770 0.6770 0.7921 0.7921 0.8292 0.8292 0.8412 0.8412 0.8545 0.8545 0.9378 0.9378 2.4739 2.4739 4.2414 4.2414 4.8499 4.8499 5.1332 5.1332 5.8072 5.8072 6.9894 6.9894 9.2719 9.2719 9.5037 9.5037 11.0412 11.0412 12.3781 12.3781 k = 0.0274 0.5028-0.0000 ( 3291 PWs) bands (ev): -3.8742 -3.8742 -3.2755 -3.2755 0.3837 0.3837 0.4231 0.4231 0.4529 0.4529 0.4822 0.4822 0.6763 0.6763 0.7917 0.7917 0.8297 0.8297 0.8410 0.8410 0.8540 0.8540 0.9373 0.9373 2.4759 2.4759 4.2400 4.2400 4.8482 4.8482 5.1280 5.1280 5.8414 5.8414 7.0343 7.0343 9.2602 9.2602 9.4471 9.4471 11.0855 11.0855 12.4544 12.4544 k = 0.0137 0.5028-0.0000 ( 3291 PWs) bands (ev): -3.8763 -3.8763 -3.2764 -3.2764 0.3833 0.3833 0.4225 0.4225 0.4526 0.4526 0.4820 0.4820 0.6758 0.6758 0.7915 0.7915 0.8300 0.8300 0.8408 0.8408 0.8537 0.8537 0.9371 0.9371 2.4770 2.4770 4.2391 4.2391 4.8472 4.8472 5.1248 5.1248 5.8627 5.8627 7.0622 7.0622 9.2566 9.2566 9.4067 9.4067 11.1159 11.1159 12.5060 12.5060 k = 0.0000 0.5028-0.0000 ( 3298 PWs) bands (ev): -3.8770 -3.8770 -3.2767 -3.2767 0.3831 0.3831 0.4223 0.4223 0.4525 0.4525 0.4819 0.4819 0.6756 0.6756 0.7914 0.7914 0.8301 0.8301 0.8408 0.8408 0.8535 0.8535 0.9370 0.9370 2.4774 2.4774 4.2388 4.2388 4.8469 4.8469 5.1237 5.1237 5.8700 5.8700 7.0716 7.0716 9.2567 9.2567 9.3913 9.3913 11.1267 11.1267 12.5239 12.5239 k = 0.0000 0.5028-0.0000 ( 3298 PWs) bands (ev): -3.8770 -3.8770 -3.2767 -3.2767 0.3831 0.3831 0.4223 0.4223 0.4525 0.4525 0.4819 0.4819 0.6756 0.6756 0.7914 0.7914 0.8301 0.8301 0.8408 0.8408 0.8535 0.8535 0.9370 0.9370 2.4774 2.4774 4.2388 4.2388 4.8469 4.8469 5.1237 5.1237 5.8700 5.8700 7.0716 7.0716 9.2567 9.2567 9.3913 9.3913 11.1267 11.1267 12.5239 12.5239 k = 0.0000 0.5028 0.0134 ( 3296 PWs) bands (ev): -3.8762 -3.8762 -3.2765 -3.2765 0.3832 0.3832 0.4223 0.4223 0.4522 0.4522 0.4820 0.4820 0.6752 0.6752 0.7913 0.7913 0.8299 0.8299 0.8404 0.8404 0.8541 0.8541 0.9370 0.9370 2.4739 2.4739 4.2163 4.2163 4.8454 4.8454 5.1537 5.1537 5.8716 5.8716 7.0718 7.0718 9.2592 9.2592 9.3948 9.3948 11.1219 11.1219 12.4780 12.4780 k = 0.0000 0.5028 0.0268 ( 3294 PWs) bands (ev): -3.8741 -3.8741 -3.2758 -3.2758 0.3832 0.3832 0.4223 0.4223 0.4513 0.4513 0.4824 0.4824 0.6739 0.6739 0.7912 0.7912 0.8293 0.8293 0.8398 0.8398 0.8554 0.8554 0.9373 0.9373 2.4635 2.4635 4.1540 4.1540 4.8479 4.8479 5.2309 5.2309 5.8766 5.8766 7.0723 7.0723 9.2667 9.2667 9.4051 9.4051 11.1076 11.1076 12.3715 12.3715 k = 0.0000 0.5028 0.0401 ( 3294 PWs) bands (ev): -3.8705 -3.8705 -3.2748 -3.2748 0.3832 0.3832 0.4224 0.4224 0.4499 0.4499 0.4829 0.4829 0.6718 0.6718 0.7909 0.7909 0.8281 0.8281 0.8392 0.8392 0.8572 0.8572 0.9378 0.9378 2.4466 2.4466 4.0635 4.0635 4.8620 4.8620 5.3354 5.3354 5.8855 5.8855 7.0732 7.0732 9.2792 9.2792 9.4221 9.4221 11.0845 11.0845 12.2405 12.2405 k = 0.0000 0.5028 0.0535 ( 3302 PWs) bands (ev): -3.8654 -3.8654 -3.2734 -3.2734 0.3831 0.3831 0.4224 0.4224 0.4481 0.4481 0.4836 0.4836 0.6690 0.6690 0.7906 0.7906 0.8264 0.8264 0.8390 0.8390 0.8591 0.8591 0.9384 0.9384 2.4237 2.4237 3.9558 3.9558 4.8885 4.8885 5.4532 5.4532 5.8995 5.8995 7.0745 7.0745 9.2967 9.2967 9.4459 9.4459 11.0535 11.0535 12.1004 12.1004 k = 0.0000 0.5028 0.0669 ( 3296 PWs) bands (ev): -3.8590 -3.8590 -3.2717 -3.2717 0.3830 0.3830 0.4225 0.4225 0.4458 0.4458 0.4845 0.4845 0.6657 0.6657 0.7901 0.7901 0.8243 0.8243 0.8393 0.8393 0.8610 0.8610 0.9391 0.9391 2.3957 2.3957 3.8383 3.8383 4.9261 4.9261 5.5746 5.5746 5.9212 5.9212 7.0761 7.0761 9.3194 9.3194 9.4763 9.4763 11.0160 11.0160 11.9573 11.9573 k = 0.0000 0.5028 0.0803 ( 3294 PWs) bands (ev): -3.8511 -3.8511 -3.2697 -3.2697 0.3825 0.3825 0.4226 0.4226 0.4433 0.4433 0.4855 0.4855 0.6619 0.6619 0.7894 0.7894 0.8221 0.8221 0.8399 0.8399 0.8629 0.8629 0.9398 0.9398 2.3632 2.3632 3.7157 3.7157 4.9729 4.9729 5.6890 5.6890 5.9572 5.9572 7.0782 7.0782 9.3473 9.3473 9.5130 9.5130 10.9733 10.9733 11.8141 11.8141 k = 0.0000 0.5028 0.0937 ( 3298 PWs) bands (ev): -3.8419 -3.8419 -3.2675 -3.2675 0.3817 0.3817 0.4227 0.4227 0.4405 0.4405 0.4865 0.4865 0.6578 0.6578 0.7885 0.7885 0.8199 0.8199 0.8408 0.8408 0.8646 0.8646 0.9405 0.9405 2.3272 2.3272 3.5910 3.5910 5.0272 5.0272 5.7816 5.7816 6.0194 6.0194 7.0808 7.0808 9.3804 9.3804 9.5556 9.5556 10.9269 10.9269 11.6723 11.6723 k = 0.0000 0.5028 0.1070 ( 3302 PWs) bands (ev): -3.8314 -3.8314 -3.2651 -3.2651 0.3804 0.3804 0.4228 0.4228 0.4378 0.4378 0.4875 0.4875 0.6536 0.6536 0.7874 0.7874 0.8178 0.8178 0.8419 0.8419 0.8662 0.8662 0.9411 0.9411 2.2884 2.2884 3.4659 3.4659 5.0879 5.0879 5.8436 5.8436 6.1148 6.1148 7.0840 7.0840 9.4187 9.4187 9.6039 9.6039 10.8786 10.8786 11.5332 11.5332 k = 0.0000 0.5028 0.1204 ( 3296 PWs) bands (ev): -3.8196 -3.8196 -3.2627 -3.2627 0.3783 0.3783 0.4228 0.4228 0.4354 0.4354 0.4885 0.4885 0.6495 0.6495 0.7860 0.7860 0.8159 0.8159 0.8433 0.8433 0.8677 0.8677 0.9416 0.9416 2.2477 2.2477 3.3417 3.3417 5.1535 5.1535 5.8848 5.8848 6.2315 6.2315 7.0884 7.0884 9.4621 9.4621 9.6571 9.6571 10.8301 10.8301 11.3978 11.3978 k = 0.0000 0.5028 0.1338 ( 3294 PWs) bands (ev): -3.8065 -3.8065 -3.2603 -3.2603 0.3755 0.3755 0.4227 0.4227 0.4334 0.4334 0.4895 0.4895 0.6456 0.6456 0.7843 0.7843 0.8142 0.8142 0.8447 0.8447 0.8689 0.8689 0.9420 0.9420 2.2057 2.2057 3.2193 3.2193 5.2231 5.2231 5.9174 5.9174 6.3557 6.3557 7.0944 7.0944 9.5104 9.5104 9.7142 9.7142 10.7833 10.7833 11.2673 11.2673 k = 0.0000 0.5028 0.1472 ( 3298 PWs) bands (ev): -3.7923 -3.7923 -3.2580 -3.2580 0.3717 0.3717 0.4225 0.4225 0.4320 0.4320 0.4904 0.4904 0.6419 0.6419 0.7822 0.7822 0.8129 0.8129 0.8463 0.8463 0.8701 0.8701 0.9421 0.9421 2.1631 2.1631 3.0993 3.0993 5.2957 5.2957 5.9475 5.9475 6.4789 6.4789 7.1034 7.1034 9.5630 9.5630 9.7738 9.7738 10.7403 10.7403 11.1431 11.1431 k = 0.0000 0.5028 0.1606 ( 3298 PWs) bands (ev): -3.7769 -3.7769 -3.2559 -3.2559 0.3670 0.3670 0.4223 0.4223 0.4312 0.4312 0.4913 0.4913 0.6387 0.6387 0.7798 0.7798 0.8119 0.8119 0.8480 0.8480 0.8710 0.8710 0.9420 0.9420 2.1204 2.1204 2.9822 2.9822 5.3702 5.3702 5.9777 5.9777 6.5954 6.5954 7.1173 7.1173 9.6191 9.6191 9.8340 9.8340 10.7037 10.7037 11.0271 11.0271 k = 0.0000 0.5028 0.1739 ( 3292 PWs) bands (ev): -3.7604 -3.7604 -3.2541 -3.2541 0.3615 0.3615 0.4220 0.4220 0.4311 0.4311 0.4920 0.4920 0.6359 0.6359 0.7769 0.7769 0.8113 0.8113 0.8498 0.8498 0.8719 0.8719 0.9416 0.9416 2.0782 2.0782 2.8684 2.8684 5.4457 5.4457 6.0095 6.0095 6.6994 6.6994 7.1396 7.1396 9.6768 9.6768 9.8919 9.8919 10.6763 10.6763 10.9225 10.9225 k = 0.0000 0.5028 0.1873 ( 3290 PWs) bands (ev): -3.7429 -3.7429 -3.2528 -3.2528 0.3555 0.3555 0.4218 0.4218 0.4313 0.4313 0.4926 0.4926 0.6336 0.6336 0.7736 0.7736 0.8111 0.8111 0.8516 0.8516 0.8725 0.8725 0.9409 0.9409 2.0369 2.0369 2.7584 2.7584 5.5213 5.5213 6.0434 6.0434 6.7847 6.7847 7.1751 7.1751 9.7330 9.7330 9.9439 9.9439 10.6603 10.6603 10.8349 10.8349 k = 0.0000 0.5028 0.2007 ( 3288 PWs) bands (ev): -3.7245 -3.7245 -3.2521 -3.2521 0.3493 0.3493 0.4217 0.4217 0.4319 0.4319 0.4930 0.4930 0.6318 0.6318 0.7699 0.7699 0.8114 0.8114 0.8535 0.8535 0.8731 0.8731 0.9399 0.9399 1.9968 1.9968 2.6525 2.6525 5.5960 5.5960 6.0802 6.0802 6.8464 6.8464 7.2270 7.2270 9.7829 9.7829 9.9860 9.9860 10.6532 10.6532 10.7766 10.7766 k = 0.0000 0.5028 0.2141 ( 3292 PWs) bands (ev): -3.7053 -3.7053 -3.2520 -3.2520 0.3432 0.3432 0.4217 0.4217 0.4325 0.4325 0.4931 0.4931 0.6305 0.6305 0.7657 0.7657 0.8119 0.8119 0.8554 0.8554 0.8735 0.8735 0.9386 0.9386 1.9582 1.9582 2.5510 2.5510 5.6689 5.6689 6.1202 6.1202 6.8855 6.8855 7.2934 7.2934 9.8198 9.8198 10.0153 10.0153 10.6454 10.6454 10.7679 10.7679 k = 0.0000 0.5028 0.2275 ( 3296 PWs) bands (ev): -3.6853 -3.6853 -3.2527 -3.2527 0.3375 0.3375 0.4217 0.4217 0.4333 0.4333 0.4930 0.4930 0.6297 0.6297 0.7611 0.7611 0.8129 0.8129 0.8572 0.8572 0.8738 0.8738 0.9369 0.9369 1.9214 1.9214 2.4542 2.4542 5.7391 5.7391 6.1636 6.1636 6.9080 6.9080 7.3672 7.3672 9.8374 9.8374 10.0297 10.0297 10.6462 10.6462 10.8077 10.8077 k = 0.0000 0.5028 0.2408 ( 3294 PWs) bands (ev): -3.6646 -3.6646 -3.2544 -3.2544 0.3324 0.3324 0.4217 0.4217 0.4342 0.4342 0.4925 0.4925 0.6294 0.6294 0.7559 0.7559 0.8143 0.8143 0.8591 0.8591 0.8740 0.8740 0.9349 0.9349 1.8867 1.8867 2.3623 2.3623 5.8058 5.8058 6.2101 6.2101 6.9204 6.9204 7.4411 7.4411 9.8338 9.8338 10.0288 10.0288 10.6764 10.6764 10.8778 10.8778 k = 0.0000 0.5028 0.2542 ( 3292 PWs) bands (ev): -3.6433 -3.6433 -3.2570 -3.2570 0.3284 0.3284 0.4218 0.4218 0.4350 0.4350 0.4916 0.4916 0.6295 0.6295 0.7503 0.7503 0.8160 0.8160 0.8608 0.8608 0.8742 0.8742 0.9326 0.9326 1.8542 1.8542 2.2758 2.2758 5.8685 5.8685 6.2592 6.2592 6.9278 6.9278 7.5098 7.5098 9.8126 9.8126 10.0149 10.0149 10.7404 10.7404 10.9664 10.9664 k = 0.0000 0.5028 0.2676 ( 3290 PWs) bands (ev): -3.6216 -3.6216 -3.2607 -3.2607 0.3255 0.3255 0.4218 0.4218 0.4357 0.4357 0.4902 0.4902 0.6300 0.6300 0.7442 0.7442 0.8181 0.8181 0.8625 0.8625 0.8743 0.8743 0.9300 0.9300 1.8241 1.8241 2.1948 2.1948 5.9272 5.9272 6.3094 6.3094 6.9336 6.9336 7.5698 7.5698 9.7803 9.7803 9.9927 9.9927 10.8321 10.8321 11.0654 11.0654 k = 0.0000 0.5028 0.2810 ( 3292 PWs) bands (ev): -3.5995 -3.5995 -3.2656 -3.2656 0.3240 0.3240 0.4217 0.4217 0.4364 0.4364 0.4881 0.4881 0.6308 0.6308 0.7376 0.7376 0.8206 0.8206 0.8639 0.8639 0.8745 0.8745 0.9270 0.9270 1.7966 1.7966 2.1196 2.1196 5.9819 5.9819 6.3585 6.3585 6.9410 6.9410 7.6187 7.6187 9.7435 9.7435 9.9660 9.9660 10.9422 10.9422 11.1665 11.1665 k = 0.0000 0.5028 0.2944 ( 3294 PWs) bands (ev): -3.5772 -3.5772 -3.2717 -3.2717 0.3240 0.3240 0.4215 0.4215 0.4370 0.4370 0.4854 0.4854 0.6321 0.6321 0.7306 0.7306 0.8233 0.8233 0.8650 0.8650 0.8748 0.8748 0.9238 0.9238 1.7719 1.7719 2.0503 2.0503 6.0331 6.0331 6.4037 6.4037 6.9529 6.9529 7.6547 7.6547 9.7075 9.7075 9.9376 9.9376 11.0594 11.0594 11.2576 11.2576 k = 0.0000 0.5028 0.3077 ( 3294 PWs) bands (ev): -3.5548 -3.5548 -3.2792 -3.2792 0.3257 0.3257 0.4211 0.4211 0.4375 0.4375 0.4820 0.4820 0.6338 0.6338 0.7232 0.7232 0.8264 0.8264 0.8657 0.8657 0.8755 0.8755 0.9204 0.9204 1.7501 1.7501 1.9873 1.9873 6.0813 6.0813 6.4414 6.4414 6.9724 6.9724 7.6770 7.6770 9.6762 9.6762 9.9086 9.9086 11.1652 11.1652 11.3228 11.3228 k = 0.0000 0.5028 0.3211 ( 3294 PWs) bands (ev): -3.5324 -3.5324 -3.2880 -3.2880 0.3290 0.3290 0.4204 0.4204 0.4380 0.4380 0.4777 0.4777 0.6359 0.6359 0.7155 0.7155 0.8297 0.8297 0.8658 0.8658 0.8765 0.8765 0.9168 0.9168 1.7315 1.7315 1.9305 1.9305 6.1269 6.1269 6.4689 6.4689 7.0020 7.0020 7.6851 7.6851 9.6518 9.6518 9.8795 9.8795 11.2327 11.2327 11.3511 11.3511 k = 0.0000 0.5028 0.3345 ( 3294 PWs) bands (ev): -3.5101 -3.5101 -3.2981 -3.2981 0.3340 0.3340 0.4192 0.4192 0.4384 0.4384 0.4728 0.4728 0.6384 0.6384 0.7076 0.7076 0.8332 0.8332 0.8653 0.8653 0.8779 0.8779 0.9131 0.9131 1.7161 1.7161 1.8801 1.8801 6.1705 6.1705 6.4845 6.4845 7.0424 7.0424 7.6791 7.6791 9.6357 9.6357 9.8507 9.8507 11.2542 11.2542 11.3469 11.3469 k = 0.0000 0.5028 0.3479 ( 3300 PWs) bands (ev): -3.4881 -3.4881 -3.3097 -3.3097 0.3405 0.3405 0.4173 0.4173 0.4389 0.4389 0.4673 0.4673 0.6414 0.6414 0.6997 0.6997 0.8367 0.8367 0.8644 0.8644 0.8796 0.8796 0.9093 0.9093 1.7043 1.7043 1.8360 1.8360 6.2122 6.2122 6.4885 6.4885 7.0930 7.0930 7.6598 7.6598 9.6280 9.6280 9.8223 9.8223 11.2510 11.2510 11.3250 11.3250 k = 0.0000 0.5028 0.3613 ( 3304 PWs) bands (ev): -3.4665 -3.4665 -3.3226 -3.3226 0.3483 0.3483 0.4143 0.4143 0.4395 0.4395 0.4616 0.4616 0.6449 0.6449 0.6919 0.6919 0.8404 0.8404 0.8630 0.8630 0.8815 0.8815 0.9055 0.9055 1.6962 1.6962 1.7982 1.7982 6.2522 6.2522 6.4825 6.4825 7.1516 7.1516 7.6285 7.6285 9.6285 9.6285 9.7942 9.7942 11.2400 11.2400 11.2978 11.2978 k = 0.0000 0.5028 0.3746 ( 3308 PWs) bands (ev): -3.4454 -3.4454 -3.3367 -3.3367 0.3572 0.3572 0.4099 0.4099 0.4403 0.4403 0.4562 0.4562 0.6489 0.6489 0.6843 0.6843 0.8440 0.8440 0.8613 0.8613 0.8837 0.8837 0.9018 0.9018 1.6920 1.6920 1.7666 1.7666 6.2905 6.2905 6.4683 6.4683 7.2155 7.2155 7.5866 7.5866 9.6361 9.6361 9.7666 9.7666 11.2290 11.2290 11.2715 11.2715 k = 0.0000 0.5028 0.3880 ( 3304 PWs) bands (ev): -3.4249 -3.4249 -3.3522 -3.3522 0.3670 0.3670 0.4038 0.4038 0.4415 0.4415 0.4515 0.4515 0.6534 0.6534 0.6772 0.6772 0.8475 0.8475 0.8592 0.8592 0.8862 0.8862 0.8983 0.8983 1.6922 1.6922 1.7409 1.7409 6.3270 6.3270 6.4478 6.4478 7.2822 7.2822 7.5359 7.5359 9.6496 9.6496 9.7396 9.7396 11.2215 11.2215 11.2494 11.2494 k = 0.0000 0.5028 0.4014 ( 3300 PWs) bands (ev): -3.4053 -3.4053 -3.3688 -3.3688 0.3770 0.3770 0.3960 0.3960 0.4429 0.4429 0.4478 0.4478 0.6586 0.6586 0.6704 0.6704 0.8509 0.8509 0.8568 0.8568 0.8888 0.8888 0.8949 0.8949 1.6968 1.6968 1.7209 1.7209 6.3614 6.3614 6.4225 6.4225 7.3496 7.3496 7.4783 7.4783 9.6678 9.6678 9.7138 9.7138 11.2191 11.2191 11.2330 11.2330 k = 0.0000 0.5028 0.4148 ( 3300 PWs) bands (ev): -3.3866 -3.3866 -3.3866 -3.3866 0.3869 0.3869 0.3869 0.3869 0.4450 0.4450 0.4450 0.4450 0.6642 0.6642 0.6642 0.6642 0.8540 0.8540 0.8540 0.8540 0.8917 0.8917 0.8917 0.8917 1.7063 1.7063 1.7063 1.7063 6.3935 6.3935 6.3935 6.3935 7.4156 7.4156 7.4156 7.4156 9.6896 9.6896 9.6896 9.6896 11.2228 11.2228 11.2228 11.2228 k = 0.0000 0.5028 0.4148 ( 3300 PWs) bands (ev): -3.3866 -3.3866 -3.3866 -3.3866 0.3869 0.3869 0.3869 0.3869 0.4450 0.4450 0.4450 0.4450 0.6642 0.6642 0.6642 0.6642 0.8540 0.8540 0.8540 0.8540 0.8917 0.8917 0.8917 0.8917 1.7063 1.7063 1.7063 1.7063 6.3935 6.3935 6.3935 6.3935 7.4156 7.4156 7.4156 7.4156 9.6896 9.6896 9.6896 9.6896 11.2228 11.2228 11.2228 11.2228 k = 0.0137 0.5028 0.4148 ( 3298 PWs) bands (ev): -3.3862 -3.3862 -3.3861 -3.3861 0.3858 0.3858 0.3883 0.3883 0.4440 0.4440 0.4465 0.4465 0.6638 0.6638 0.6652 0.6652 0.8539 0.8539 0.8541 0.8541 0.8913 0.8913 0.8925 0.8925 1.7070 1.7070 1.7076 1.7076 6.3674 6.3674 6.3909 6.3909 7.3947 7.3947 7.4413 7.4413 9.6732 9.6732 9.7079 9.7079 11.2264 11.2264 11.2338 11.2338 k = 0.0274 0.5028 0.4148 ( 3300 PWs) bands (ev): -3.3849 -3.3849 -3.3849 -3.3849 0.3850 0.3850 0.3900 0.3900 0.4435 0.4435 0.4484 0.4484 0.6639 0.6639 0.6668 0.6668 0.8539 0.8539 0.8543 0.8543 0.8911 0.8911 0.8935 0.8935 1.7098 1.7098 1.7111 1.7111 6.3158 6.3158 6.3593 6.3593 7.3795 7.3795 7.4677 7.4677 9.6607 9.6607 9.7275 9.7275 11.2450 11.2450 11.2584 11.2584 k = 0.0411 0.5028 0.4148 ( 3298 PWs) bands (ev): -3.3829 -3.3829 -3.3828 -3.3828 0.3846 0.3846 0.3918 0.3918 0.4435 0.4435 0.4507 0.4507 0.6646 0.6646 0.6690 0.6690 0.8541 0.8541 0.8545 0.8545 0.8912 0.8912 0.8947 0.8947 1.7146 1.7146 1.7166 1.7166 6.2433 6.2433 6.3012 6.3012 7.3674 7.3674 7.4894 7.4894 9.6547 9.6547 9.7487 9.7487 11.2781 11.2781 11.2950 11.2950 k = 0.0548 0.5028 0.4148 ( 3296 PWs) bands (ev): -3.3800 -3.3800 -3.3799 -3.3799 0.3845 0.3845 0.3938 0.3938 0.4442 0.4442 0.4534 0.4534 0.6657 0.6657 0.6718 0.6718 0.8543 0.8543 0.8549 0.8549 0.8916 0.8916 0.8963 0.8963 1.7216 1.7216 1.7242 1.7242 6.1546 6.1546 6.2215 6.2215 7.3542 7.3542 7.5007 7.5007 9.6579 9.6579 9.7728 9.7728 11.3249 11.3249 11.3420 11.3420 k = 0.0685 0.5028 0.4148 ( 3290 PWs) bands (ev): -3.3763 -3.3763 -3.3762 -3.3762 0.3847 0.3847 0.3958 0.3958 0.4457 0.4457 0.4565 0.4565 0.6674 0.6674 0.6752 0.6752 0.8547 0.8547 0.8553 0.8553 0.8923 0.8923 0.8981 0.8981 1.7308 1.7308 1.7339 1.7339 6.0535 6.0535 6.1252 6.1252 7.3350 7.3350 7.4976 7.4976 9.6726 9.6726 9.8012 9.8012 11.3840 11.3840 11.3981 11.3981 k = 0.0822 0.5028 0.4148 ( 3288 PWs) bands (ev): -3.3719 -3.3719 -3.3717 -3.3717 0.3852 0.3852 0.3977 0.3977 0.4479 0.4479 0.4600 0.4600 0.6695 0.6695 0.6790 0.6790 0.8552 0.8552 0.8557 0.8557 0.8932 0.8932 0.9002 0.9002 1.7421 1.7421 1.7459 1.7459 5.9434 5.9434 6.0166 6.0166 7.3063 7.3063 7.4773 7.4773 9.7000 9.7000 9.8349 9.8349 11.4541 11.4541 11.4621 11.4621 k = 0.0959 0.5028 0.4148 ( 3292 PWs) bands (ev): -3.3668 -3.3668 -3.3665 -3.3665 0.3859 0.3859 0.3994 0.3994 0.4509 0.4509 0.4637 0.4637 0.6719 0.6719 0.6834 0.6834 0.8558 0.8558 0.8563 0.8563 0.8944 0.8944 0.9027 0.9027 1.7557 1.7557 1.7600 1.7600 5.8266 5.8266 5.8994 5.8994 7.2659 7.2659 7.4390 7.4390 9.7400 9.7400 9.8746 9.8746 11.5333 11.5333 11.5340 11.5340 k = 0.1096 0.5028 0.4148 ( 3290 PWs) bands (ev): -3.3609 -3.3609 -3.3606 -3.3606 0.3868 0.3868 0.4009 0.4009 0.4547 0.4547 0.4679 0.4679 0.6748 0.6748 0.6883 0.6883 0.8566 0.8566 0.8570 0.8570 0.8958 0.8958 0.9054 0.9054 1.7716 1.7716 1.7764 1.7764 5.7052 5.7052 5.7763 5.7763 7.2129 7.2129 7.3834 7.3834 9.7912 9.7912 9.9200 9.9200 11.6114 11.6114 11.6229 11.6229 k = 0.1233 0.5028 0.4148 ( 3284 PWs) bands (ev): -3.3544 -3.3544 -3.3541 -3.3541 0.3879 0.3879 0.4021 0.4021 0.4593 0.4593 0.4725 0.4725 0.6780 0.6780 0.6935 0.6935 0.8576 0.8576 0.8578 0.8578 0.8976 0.8976 0.9085 0.9085 1.7899 1.7899 1.7952 1.7952 5.5807 5.5807 5.6493 5.6493 7.1475 7.1475 7.3120 7.3120 9.8515 9.8515 9.9704 9.9704 11.6962 11.6962 11.7200 11.7200 k = 0.1370 0.5028 0.4148 ( 3286 PWs) bands (ev): -3.3472 -3.3472 -3.3469 -3.3469 0.3890 0.3890 0.4032 0.4032 0.4646 0.4646 0.4773 0.4773 0.6814 0.6814 0.6992 0.6992 0.8588 0.8588 0.8588 0.8588 0.8996 0.8996 0.9119 0.9119 1.8107 1.8107 1.8164 1.8164 5.4542 5.4542 5.5200 5.5200 7.0707 7.0707 7.2271 7.2271 9.9182 9.9182 10.0247 10.0247 11.7877 11.7877 11.8247 11.8247 k = 0.1507 0.5028 0.4148 ( 3282 PWs) bands (ev): -3.3395 -3.3395 -3.3391 -3.3391 0.3902 0.3902 0.4040 0.4040 0.4705 0.4705 0.4825 0.4825 0.6851 0.6851 0.7051 0.7051 0.8599 0.8599 0.8601 0.8601 0.9019 0.9019 0.9157 0.9157 1.8340 1.8340 1.8401 1.8401 5.3268 5.3268 5.3895 5.3895 6.9836 6.9836 7.1309 7.1309 9.9887 9.9887 10.0814 10.0814 11.8857 11.8857 11.9364 11.9364 k = 0.1644 0.5028 0.4148 ( 3286 PWs) bands (ev): -3.3312 -3.3312 -3.3309 -3.3309 0.3915 0.3915 0.4047 0.4047 0.4769 0.4769 0.4880 0.4880 0.6890 0.6890 0.7112 0.7112 0.8612 0.8612 0.8616 0.8616 0.9045 0.9045 0.9199 0.9199 1.8598 1.8598 1.8663 1.8663 5.1993 5.1993 5.2589 5.2589 6.8877 6.8877 7.0256 7.0256 10.0609 10.0609 10.1393 10.1393 11.9902 11.9902 12.0543 12.0543 k = 0.1781 0.5028 0.4148 ( 3280 PWs) bands (ev): -3.3225 -3.3225 -3.3221 -3.3221 0.3927 0.3927 0.4053 0.4053 0.4837 0.4837 0.4937 0.4937 0.6929 0.6929 0.7174 0.7174 0.8628 0.8628 0.8632 0.8632 0.9075 0.9075 0.9246 0.9246 1.8884 1.8884 1.8952 1.8952 5.0723 5.0723 5.1289 5.1289 6.7845 6.7845 6.9132 6.9132 10.1326 10.1326 10.1971 10.1971 12.1004 12.1004 12.1774 12.1774 k = 0.1918 0.5028 0.4148 ( 3280 PWs) bands (ev): -3.3134 -3.3134 -3.3130 -3.3130 0.3940 0.3940 0.4058 0.4058 0.4909 0.4909 0.4997 0.4997 0.6969 0.6969 0.7236 0.7236 0.8646 0.8646 0.8650 0.8650 0.9109 0.9109 0.9297 0.9297 1.9197 1.9197 1.9268 1.9268 4.9465 4.9465 5.0001 5.0001 6.6755 6.6755 6.7951 6.7951 10.2026 10.2026 10.2540 10.2540 12.2156 12.2156 12.3045 12.3045 k = 0.2055 0.5028 0.4148 ( 3282 PWs) bands (ev): -3.3039 -3.3039 -3.3035 -3.3035 0.3952 0.3952 0.4063 0.4063 0.4982 0.4982 0.5059 0.5059 0.7010 0.7010 0.7296 0.7296 0.8666 0.8666 0.8669 0.8669 0.9147 0.9147 0.9353 0.9353 1.9538 1.9538 1.9612 1.9612 4.8222 4.8222 4.8731 4.8731 6.5617 6.5617 6.6730 6.6730 10.2698 10.2698 10.3093 10.3093 12.3346 12.3346 12.4339 12.4339 k = 0.2192 0.5028 0.4148 ( 3284 PWs) bands (ev): -3.2942 -3.2942 -3.2938 -3.2938 0.3964 0.3964 0.4067 0.4067 0.5056 0.5056 0.5122 0.5122 0.7050 0.7050 0.7355 0.7355 0.8688 0.8688 0.8689 0.8689 0.9190 0.9190 0.9414 0.9414 1.9908 1.9908 1.9983 1.9983 4.7000 4.7000 4.7482 4.7482 6.4443 6.4443 6.5478 6.5478 10.3334 10.3334 10.3623 10.3623 12.4558 12.4558 12.5636 12.5636 k = 0.2329 0.5028 0.4148 ( 3292 PWs) bands (ev): -3.2843 -3.2843 -3.2839 -3.2839 0.3975 0.3975 0.4071 0.4071 0.5131 0.5131 0.5187 0.5187 0.7090 0.7090 0.7411 0.7411 0.8709 0.8709 0.8712 0.8712 0.9239 0.9239 0.9480 0.9480 2.0307 2.0307 2.0384 2.0384 4.5803 4.5803 4.6260 4.6260 6.3243 6.3243 6.4206 6.4206 10.3932 10.3932 10.4129 10.4129 12.5775 12.5775 12.6917 12.6917 k = 0.2466 0.5028 0.4148 ( 3292 PWs) bands (ev): -3.2743 -3.2743 -3.2739 -3.2739 0.3985 0.3985 0.4074 0.4074 0.5206 0.5206 0.5252 0.5252 0.7129 0.7129 0.7463 0.7463 0.8730 0.8730 0.8737 0.8737 0.9295 0.9295 0.9551 0.9551 2.0736 2.0736 2.0814 2.0814 4.4633 4.4633 4.5066 4.5066 6.2024 6.2024 6.2923 6.2923 10.4490 10.4490 10.4609 10.4609 12.6978 12.6978 12.8159 12.8159 k = 0.2603 0.5028 0.4148 ( 3290 PWs) bands (ev): -3.2642 -3.2642 -3.2638 -3.2638 0.3995 0.3995 0.4078 0.4078 0.5280 0.5280 0.5317 0.5317 0.7167 0.7167 0.7510 0.7510 0.8750 0.8750 0.8763 0.8763 0.9358 0.9358 0.9628 0.9628 2.1195 2.1195 2.1274 2.1274 4.3495 4.3495 4.3906 4.3906 6.0795 6.0795 6.1634 6.1634 10.5008 10.5008 10.5061 10.5061 12.8149 12.8149 12.9343 12.9343 k = 0.2741 0.5028 0.4148 ( 3288 PWs) bands (ev): -3.2542 -3.2542 -3.2538 -3.2538 0.4004 0.4004 0.4081 0.4081 0.5353 0.5353 0.5382 0.5382 0.7204 0.7204 0.7553 0.7553 0.8772 0.8772 0.8790 0.8790 0.9427 0.9427 0.9709 0.9709 2.1684 2.1684 2.1763 2.1763 4.2391 4.2391 4.2782 4.2782 5.9561 5.9561 6.0346 6.0346 10.5485 10.5485 10.5487 10.5487 12.9275 12.9275 13.0456 13.0456 k = 0.2878 0.5028 0.4148 ( 3284 PWs) bands (ev): -3.2443 -3.2443 -3.2439 -3.2439 0.4013 0.4013 0.4084 0.4084 0.5424 0.5424 0.5446 0.5446 0.7240 0.7240 0.7591 0.7591 0.8792 0.8792 0.8815 0.8815 0.9504 0.9504 0.9794 0.9794 2.2203 2.2203 2.2282 2.2282 4.1324 4.1324 4.1696 4.1696 5.8328 5.8328 5.9064 5.9064 10.5881 10.5881 10.5927 10.5927 13.0343 13.0343 13.1492 13.1492 k = 0.3015 0.5028 0.4148 ( 3282 PWs) bands (ev): -3.2347 -3.2347 -3.2342 -3.2342 0.4021 0.4021 0.4087 0.4087 0.5492 0.5492 0.5509 0.5509 0.7275 0.7275 0.7624 0.7624 0.8813 0.8813 0.8840 0.8840 0.9588 0.9588 0.9883 0.9883 2.2753 2.2753 2.2831 2.2831 4.0297 4.0297 4.0652 4.0652 5.7100 5.7100 5.7792 5.7792 10.6250 10.6250 10.6331 10.6331 13.1350 13.1350 13.2449 13.2449 k = 0.3152 0.5028 0.4148 ( 3282 PWs) bands (ev): -3.2253 -3.2253 -3.2249 -3.2249 0.4029 0.4029 0.4090 0.4090 0.5557 0.5557 0.5570 0.5570 0.7308 0.7308 0.7652 0.7652 0.8832 0.8832 0.8864 0.8864 0.9678 0.9678 0.9974 0.9974 2.3332 2.3332 2.3409 2.3409 3.9313 3.9313 3.9653 3.9653 5.5884 5.5884 5.6535 5.6535 10.6590 10.6590 10.6698 10.6698 13.2295 13.2295 13.3336 13.3336 k = 0.3289 0.5028 0.4148 ( 3284 PWs) bands (ev): -3.2163 -3.2163 -3.2159 -3.2159 0.4036 0.4036 0.4093 0.4093 0.5618 0.5618 0.5628 0.5628 0.7341 0.7341 0.7676 0.7676 0.8851 0.8851 0.8885 0.8885 0.9773 0.9773 1.0068 1.0068 2.3940 2.3940 2.4015 2.4015 3.8374 3.8374 3.8701 3.8701 5.4681 5.4681 5.5296 5.5296 10.6903 10.6903 10.7031 10.7031 13.3181 13.3181 13.4158 13.4158 k = 0.3426 0.5028 0.4148 ( 3290 PWs) bands (ev): -3.2078 -3.2078 -3.2074 -3.2074 0.4042 0.4042 0.4095 0.4095 0.5676 0.5676 0.5684 0.5684 0.7372 0.7372 0.7696 0.7696 0.8869 0.8869 0.8905 0.8905 0.9872 0.9872 1.0162 1.0162 2.4576 2.4576 2.4648 2.4648 3.7484 3.7484 3.7799 3.7799 5.3497 5.3497 5.4078 5.4078 10.7188 10.7188 10.7329 10.7329 13.4012 13.4012 13.4926 13.4926 k = 0.3563 0.5028 0.4148 ( 3290 PWs) bands (ev): -3.1998 -3.1998 -3.1994 -3.1994 0.4049 0.4049 0.4097 0.4097 0.5730 0.5730 0.5736 0.5736 0.7401 0.7401 0.7711 0.7711 0.8886 0.8886 0.8924 0.8924 0.9973 0.9973 1.0256 1.0256 2.5239 2.5239 2.5306 2.5306 3.6645 3.6645 3.6952 3.6952 5.2335 5.2335 5.2886 5.2886 10.7444 10.7444 10.7594 10.7594 13.4793 13.4793 13.5644 13.5644 k = 0.3700 0.5028 0.4148 ( 3290 PWs) bands (ev): -3.1924 -3.1924 -3.1920 -3.1920 0.4054 0.4054 0.4099 0.4099 0.5779 0.5779 0.5785 0.5785 0.7430 0.7430 0.7724 0.7724 0.8903 0.8903 0.8940 0.8940 1.0075 1.0075 1.0348 1.0348 2.5927 2.5927 2.5986 2.5986 3.5861 3.5861 3.6163 3.6163 5.1199 5.1199 5.1722 5.1722 10.7671 10.7671 10.7825 10.7825 13.5529 13.5529 13.6320 13.6320 k = 0.3837 0.5028 0.4148 ( 3290 PWs) bands (ev): -3.1857 -3.1857 -3.1854 -3.1854 0.4059 0.4059 0.4101 0.4101 0.5824 0.5824 0.5830 0.5830 0.7457 0.7457 0.7733 0.7733 0.8918 0.8918 0.8955 0.8955 1.0175 1.0175 1.0436 1.0436 2.6635 2.6635 2.6684 2.6684 3.5136 3.5136 3.5437 3.5437 5.0093 5.0093 5.0591 5.0591 10.7868 10.7868 10.8022 10.8022 13.6222 13.6222 13.6955 13.6955 k = 0.3974 0.5028 0.4148 ( 3288 PWs) bands (ev): -3.1798 -3.1798 -3.1794 -3.1794 0.4064 0.4064 0.4102 0.4102 0.5863 0.5863 0.5871 0.5871 0.7483 0.7483 0.7739 0.7739 0.8932 0.8932 0.8968 0.8968 1.0271 1.0271 1.0520 1.0520 2.7357 2.7357 2.7392 2.7392 3.4479 3.4479 3.4784 3.4784 4.9021 4.9021 4.9495 4.9495 10.8035 10.8035 10.8185 10.8185 13.6873 13.6873 13.7550 13.7550 k = 0.4111 0.5028 0.4148 ( 3294 PWs) bands (ev): -3.1747 -3.1747 -3.1744 -3.1744 0.4068 0.4068 0.4103 0.4103 0.5898 0.5898 0.5907 0.5907 0.7508 0.7508 0.7743 0.7743 0.8945 0.8945 0.8979 0.8979 1.0363 1.0363 1.0596 1.0596 2.8083 2.8083 2.8095 2.8095 3.3898 3.3898 3.4216 3.4216 4.7988 4.7988 4.8440 4.8440 10.8171 10.8171 10.8314 10.8314 13.7483 13.7483 13.8106 13.8106 k = 0.4248 0.5028 0.4148 ( 3298 PWs) bands (ev): -3.1704 -3.1704 -3.1701 -3.1701 0.4072 0.4072 0.4104 0.4104 0.5928 0.5928 0.5939 0.5939 0.7531 0.7531 0.7744 0.7744 0.8956 0.8956 0.8988 0.8988 1.0446 1.0446 1.0663 1.0663 2.8770 2.8770 2.8789 2.8789 3.3416 3.3416 3.3757 3.3757 4.6998 4.6998 4.7431 4.7431 10.8274 10.8274 10.8409 10.8409 13.8050 13.8050 13.8618 13.8618 k = 0.4385 0.5028 0.4148 ( 3300 PWs) bands (ev): -3.1671 -3.1671 -3.1669 -3.1669 0.4076 0.4076 0.4104 0.4104 0.5954 0.5954 0.5966 0.5966 0.7552 0.7552 0.7743 0.7743 0.8966 0.8966 0.8996 0.8996 1.0521 1.0521 1.0720 1.0720 2.9368 2.9368 2.9429 2.9429 3.3076 3.3076 3.3452 3.3452 4.6058 4.6058 4.6471 4.6471 10.8345 10.8345 10.8468 10.8468 13.8572 13.8572 13.9085 13.9085 k = 0.4522 0.5028 0.4148 ( 3298 PWs) bands (ev): -3.1648 -3.1648 -3.1645 -3.1645 0.4079 0.4079 0.4105 0.4105 0.5974 0.5974 0.5988 0.5988 0.7572 0.7572 0.7740 0.7740 0.8975 0.8975 0.9002 0.9002 1.0585 1.0585 1.0765 1.0765 2.9811 2.9811 2.9914 2.9914 3.2966 3.2966 3.3375 3.3375 4.5174 4.5174 4.5570 4.5570 10.8382 10.8382 10.8493 10.8493 13.9044 13.9044 13.9501 13.9501 k = 0.4522 0.5028 0.4148 ( 3298 PWs) bands (ev): -3.1648 -3.1648 -3.1645 -3.1645 0.4079 0.4079 0.4105 0.4105 0.5974 0.5974 0.5988 0.5988 0.7572 0.7572 0.7740 0.7740 0.8975 0.8975 0.9002 0.9002 1.0585 1.0585 1.0765 1.0765 2.9811 2.9811 2.9914 2.9914 3.2966 3.2966 3.3375 3.3375 4.5174 4.5174 4.5570 4.5570 10.8382 10.8382 10.8493 10.8493 13.9044 13.9044 13.9501 13.9501 k = 0.4431 0.4928 0.4148 ( 3294 PWs) bands (ev): -3.1678 -3.1678 -3.1675 -3.1675 0.4074 0.4074 0.4104 0.4104 0.5946 0.5946 0.5956 0.5956 0.7543 0.7543 0.7745 0.7745 0.8962 0.8962 0.8994 0.8994 1.0495 1.0495 1.0702 1.0702 2.9283 2.9283 2.9339 2.9339 3.2960 3.2960 3.3332 3.3332 4.6474 4.6474 4.6894 4.6894 10.8350 10.8350 10.8480 10.8480 13.8360 13.8360 13.8900 13.8900 k = 0.4341 0.4827 0.4148 ( 3294 PWs) bands (ev): -3.1715 -3.1715 -3.1712 -3.1712 0.4069 0.4069 0.4103 0.4103 0.5914 0.5914 0.5918 0.5918 0.7510 0.7510 0.7749 0.7749 0.8948 0.8948 0.8984 0.8984 1.0395 1.0395 1.0627 1.0627 2.8718 2.8718 2.8731 2.8731 3.3042 3.3042 3.3379 3.3379 4.7842 4.7842 4.8286 4.8286 10.8312 10.8312 10.8460 10.8460 13.7634 13.7634 13.8257 13.8257 k = 0.4251 0.4727 0.4148 ( 3294 PWs) bands (ev): -3.1759 -3.1759 -3.1755 -3.1755 0.4063 0.4063 0.4102 0.4102 0.5872 0.5872 0.5879 0.5879 0.7474 0.7474 0.7751 0.7751 0.8932 0.8932 0.8972 0.8972 1.0289 1.0289 1.0541 1.0541 2.8125 2.8125 2.8150 2.8150 3.3185 3.3185 3.3495 3.3495 4.9266 4.9266 4.9734 4.9734 10.8269 10.8269 10.8433 10.8433 13.6883 13.6883 13.7589 13.7589 k = 0.4160 0.4626 0.4148 ( 3298 PWs) bands (ev): -3.1810 -3.1810 -3.1806 -3.1806 0.4057 0.4057 0.4100 0.4100 0.5818 0.5818 0.5841 0.5841 0.7434 0.7434 0.7751 0.7751 0.8914 0.8914 0.8958 0.8958 1.0177 1.0177 1.0446 1.0446 2.7544 2.7544 2.7599 2.7599 3.3376 3.3376 3.3665 3.3665 5.0736 5.0736 5.1228 5.1228 10.8220 10.8220 10.8399 10.8399 13.6119 13.6119 13.6909 13.6909 k = 0.4070 0.4525 0.4148 ( 3294 PWs) bands (ev): -3.1869 -3.1869 -3.1864 -3.1864 0.4050 0.4050 0.4098 0.4098 0.5758 0.5758 0.5800 0.5800 0.7391 0.7391 0.7751 0.7751 0.8894 0.8894 0.8943 0.8943 1.0063 1.0063 1.0345 1.0345 2.6998 2.6998 2.7081 2.7081 3.3605 3.3605 3.3880 3.3880 5.2243 5.2243 5.2762 5.2762 10.8165 10.8165 10.8355 10.8355 13.5351 13.5351 13.6228 13.6228 k = 0.3979 0.4425 0.4148 ( 3294 PWs) bands (ev): -3.1936 -3.1936 -3.1931 -3.1931 0.4043 0.4043 0.4095 0.4095 0.5690 0.5690 0.5757 0.5757 0.7343 0.7343 0.7750 0.7750 0.8873 0.8873 0.8925 0.8925 0.9947 0.9947 1.0238 1.0238 2.6496 2.6496 2.6602 2.6602 3.3867 3.3867 3.4134 3.4134 5.3781 5.3781 5.4328 5.4328 10.8103 10.8103 10.8303 10.8303 13.4585 13.4585 13.5552 13.5552 k = 0.3889 0.4324 0.4148 ( 3296 PWs) bands (ev): -3.2012 -3.2012 -3.2007 -3.2007 0.4036 0.4036 0.4091 0.4091 0.5615 0.5615 0.5711 0.5711 0.7292 0.7292 0.7747 0.7747 0.8849 0.8849 0.8905 0.8905 0.9833 0.9833 1.0130 1.0130 2.6041 2.6041 2.6168 2.6168 3.4158 3.4158 3.4421 3.4421 5.5344 5.5344 5.5922 5.5922 10.8036 10.8036 10.8242 10.8242 13.3826 13.3826 13.4887 13.4887 k = 0.3798 0.4224 0.4148 ( 3292 PWs) bands (ev): -3.2098 -3.2098 -3.2093 -3.2093 0.4028 0.4028 0.4087 0.4087 0.5534 0.5534 0.5663 0.5663 0.7238 0.7238 0.7745 0.7745 0.8823 0.8823 0.8883 0.8883 0.9723 0.9723 1.0023 1.0023 2.5636 2.5636 2.5783 2.5783 3.4478 3.4478 3.4740 3.4740 5.6926 5.6926 5.7538 5.7538 10.7965 10.7965 10.8173 10.8173 13.3075 13.3075 13.4237 13.4237 k = 0.3708 0.4123 0.4148 ( 3296 PWs) bands (ev): -3.2194 -3.2194 -3.2189 -3.2189 0.4019 0.4019 0.4083 0.4083 0.5447 0.5447 0.5614 0.5614 0.7179 0.7179 0.7741 0.7741 0.8794 0.8794 0.8858 0.8858 0.9618 0.9618 0.9919 0.9919 2.5280 2.5280 2.5445 2.5445 3.4823 3.4823 3.5088 3.5088 5.8520 5.8520 5.9171 5.9171 10.7890 10.7890 10.8096 10.8096 13.2333 13.2333 13.3602 13.3602 k = 0.3617 0.4023 0.4148 ( 3292 PWs) bands (ev): -3.2300 -3.2300 -3.2295 -3.2295 0.4010 0.4010 0.4079 0.4079 0.5355 0.5355 0.5564 0.5564 0.7119 0.7119 0.7739 0.7739 0.8764 0.8764 0.8831 0.8831 0.9523 0.9523 0.9822 0.9822 2.4974 2.4974 2.5157 2.5157 3.5194 3.5194 3.5464 3.5464 6.0121 6.0121 6.0813 6.0813 10.7816 10.7816 10.8013 10.8013 13.1595 13.1595 13.2981 13.2981 k = 0.3527 0.3922 0.4148 ( 3290 PWs) bands (ev): -3.2417 -3.2417 -3.2411 -3.2411 0.4000 0.4000 0.4075 0.4075 0.5260 0.5260 0.5513 0.5513 0.7056 0.7056 0.7737 0.7737 0.8731 0.8731 0.8801 0.8801 0.9436 0.9436 0.9731 0.9731 2.4716 2.4716 2.4917 2.4917 3.5587 3.5587 3.5865 3.5865 6.1721 6.1721 6.2459 6.2459 10.7745 10.7745 10.7928 10.7928 13.0857 13.0857 13.2369 13.2369 k = 0.3437 0.3821 0.4148 ( 3294 PWs) bands (ev): -3.2546 -3.2546 -3.2539 -3.2539 0.3989 0.3989 0.4070 0.4070 0.5164 0.5164 0.5462 0.5462 0.6992 0.6992 0.7736 0.7736 0.8697 0.8697 0.8768 0.8768 0.9360 0.9360 0.9649 0.9649 2.4507 2.4507 2.4723 2.4723 3.6004 3.6004 3.6291 3.6291 6.3312 6.3312 6.4102 6.4102 10.7682 10.7682 10.7843 10.7843 13.0109 13.0109 13.1759 13.1759 k = 0.3346 0.3721 0.4148 ( 3290 PWs) bands (ev): -3.2685 -3.2685 -3.2678 -3.2678 0.3977 0.3977 0.4067 0.4067 0.5068 0.5068 0.5412 0.5412 0.6929 0.6929 0.7736 0.7736 0.8662 0.8662 0.8733 0.8733 0.9295 0.9295 0.9577 0.9577 2.4344 2.4344 2.4575 2.4575 3.6441 3.6441 3.6741 3.6741 6.4886 6.4886 6.5732 6.5732 10.7633 10.7633 10.7765 10.7765 12.9341 12.9341 13.1139 13.1139 k = 0.3256 0.3620 0.4148 ( 3286 PWs) bands (ev): -3.2835 -3.2835 -3.2829 -3.2829 0.3964 0.3964 0.4063 0.4063 0.4976 0.4976 0.5363 0.5363 0.6867 0.6867 0.7739 0.7739 0.8626 0.8626 0.8697 0.8697 0.9239 0.9239 0.9514 0.9514 2.4227 2.4227 2.4471 2.4471 3.6900 3.6900 3.7214 3.7214 6.6431 6.6431 6.7341 6.7341 10.7606 10.7606 10.7700 10.7700 12.8536 12.8536 13.0491 13.0491 k = 0.3165 0.3520 0.4148 ( 3278 PWs) bands (ev): -3.2997 -3.2997 -3.2990 -3.2990 0.3951 0.3951 0.4061 0.4061 0.4887 0.4887 0.5316 0.5316 0.6808 0.6808 0.7743 0.7743 0.8591 0.8591 0.8660 0.8660 0.9193 0.9193 0.9460 0.9460 2.4154 2.4154 2.4410 2.4410 3.7378 3.7378 3.7708 3.7708 6.7937 6.7937 6.8917 6.8917 10.7611 10.7611 10.7657 10.7657 12.7677 12.7677 12.9787 12.9787 k = 0.3075 0.3419 0.4148 ( 3286 PWs) bands (ev): -3.3169 -3.3169 -3.3163 -3.3163 0.3937 0.3937 0.4060 0.4060 0.4805 0.4805 0.5271 0.5271 0.6753 0.6753 0.7750 0.7750 0.8556 0.8556 0.8623 0.8623 0.9154 0.9154 0.9414 0.9414 2.4123 2.4123 2.4391 2.4391 3.7875 3.7875 3.8223 3.8223 6.9391 6.9391 7.0447 7.0447 10.7646 10.7646 10.7658 10.7658 12.6746 12.6746 12.8991 12.8991 k = 0.2984 0.3319 0.4148 ( 3282 PWs) bands (ev): -3.3352 -3.3352 -3.3346 -3.3346 0.3922 0.3922 0.4061 0.4061 0.4730 0.4730 0.5230 0.5230 0.6703 0.6703 0.7760 0.7760 0.8523 0.8523 0.8588 0.8588 0.9122 0.9122 0.9375 0.9375 2.4135 2.4135 2.4411 2.4411 3.8390 3.8390 3.8758 3.8758 7.0777 7.0777 7.1915 7.1915 10.7680 10.7680 10.7761 10.7761 12.5728 12.5728 12.8062 12.8062 k = 0.2894 0.3218 0.4148 ( 3278 PWs) bands (ev): -3.3546 -3.3546 -3.3539 -3.3539 0.3908 0.3908 0.4064 0.4064 0.4663 0.4663 0.5192 0.5192 0.6659 0.6659 0.7773 0.7773 0.8493 0.8493 0.8555 0.8555 0.9096 0.9096 0.9343 0.9343 2.4188 2.4188 2.4471 2.4471 3.8921 3.8921 3.9312 3.9312 7.2079 7.2079 7.3306 7.3306 10.7773 10.7773 10.7933 10.7933 12.4613 12.4613 12.6963 12.6963 k = 0.2804 0.3117 0.4148 ( 3282 PWs) bands (ev): -3.3748 -3.3748 -3.3741 -3.3741 0.3894 0.3894 0.4068 0.4068 0.4605 0.4605 0.5158 0.5158 0.6622 0.6622 0.7788 0.7788 0.8464 0.8464 0.8524 0.8524 0.9074 0.9074 0.9315 0.9315 2.4282 2.4282 2.4570 2.4570 3.9468 3.9468 3.9883 3.9883 7.3279 7.3279 7.4601 7.4601 10.7939 10.7939 10.8190 10.8190 12.3406 12.3406 12.5690 12.5690 k = 0.2713 0.3017 0.4148 ( 3286 PWs) bands (ev): -3.3959 -3.3959 -3.3952 -3.3952 0.3881 0.3881 0.4074 0.4074 0.4555 0.4555 0.5129 0.5129 0.6592 0.6592 0.7805 0.7805 0.8437 0.8437 0.8495 0.8495 0.9055 0.9055 0.9292 0.9292 2.4415 2.4415 2.4707 2.4707 4.0030 4.0030 4.0471 4.0471 7.4359 7.4359 7.5778 7.5778 10.8196 10.8196 10.8549 10.8549 12.2119 12.2119 12.4270 12.4270 k = 0.2623 0.2916 0.4148 ( 3278 PWs) bands (ev): -3.4178 -3.4178 -3.4171 -3.4171 0.3872 0.3872 0.4083 0.4083 0.4514 0.4514 0.5103 0.5103 0.6570 0.6570 0.7825 0.7825 0.8414 0.8414 0.8470 0.8470 0.9040 0.9040 0.9273 0.9273 2.4589 2.4589 2.4882 2.4882 4.0605 4.0605 4.1074 4.1074 7.5301 7.5301 7.6818 7.6818 10.8557 10.8557 10.9023 10.9023 12.0776 12.0776 12.2752 12.2752 k = 0.2532 0.2816 0.4148 ( 3282 PWs) bands (ev): -3.4404 -3.4404 -3.4397 -3.4397 0.3865 0.3865 0.4094 0.4094 0.4480 0.4480 0.5082 0.5082 0.6556 0.6556 0.7847 0.7847 0.8393 0.8393 0.8448 0.8448 0.9027 0.9027 0.9258 0.9258 2.4803 2.4803 2.5094 2.5094 4.1192 4.1192 4.1692 4.1692 7.6088 7.6088 7.7700 7.7700 10.9034 10.9034 10.9627 10.9627 11.9407 11.9407 12.1184 12.1184 k = 0.2442 0.2715 0.4148 ( 3286 PWs) bands (ev): -3.4635 -3.4635 -3.4629 -3.4629 0.3862 0.3862 0.4106 0.4106 0.4453 0.4453 0.5064 0.5064 0.6549 0.6549 0.7869 0.7869 0.8374 0.8374 0.8429 0.8429 0.9017 0.9017 0.9245 0.9245 2.5057 2.5057 2.5344 2.5344 4.1790 4.1790 4.2323 4.2323 7.6708 7.6708 7.8408 7.8408 10.9627 10.9627 11.0370 11.0370 11.8048 11.8048 11.9606 11.9606 k = 0.2351 0.2615 0.4148 ( 3290 PWs) bands (ev): -3.4872 -3.4872 -3.4865 -3.4865 0.3863 0.3863 0.4120 0.4120 0.4431 0.4431 0.5049 0.5049 0.6551 0.6551 0.7892 0.7892 0.8358 0.8358 0.8414 0.8414 0.9008 0.9008 0.9235 0.9235 2.5351 2.5351 2.5632 2.5632 4.2396 4.2396 4.2965 4.2965 7.7149 7.7149 7.8929 7.8929 11.0313 11.0313 11.1252 11.1252 11.6752 11.6752 11.8049 11.8049 k = 0.2261 0.2514 0.4148 ( 3290 PWs) bands (ev): -3.5111 -3.5111 -3.5105 -3.5105 0.3868 0.3868 0.4135 0.4135 0.4414 0.4414 0.5038 0.5038 0.6562 0.6562 0.7913 0.7913 0.8344 0.8344 0.8404 0.8404 0.9002 0.9002 0.9227 0.9227 2.5685 2.5685 2.5958 2.5958 4.3011 4.3011 4.3619 4.3619 7.7409 7.7409 7.9256 7.9256 11.1007 11.1007 11.2259 11.2259 11.5626 11.5626 11.6548 11.6548 k = 0.2170 0.2414 0.4148 ( 3282 PWs) bands (ev): -3.5353 -3.5353 -3.5347 -3.5347 0.3878 0.3878 0.4151 0.4151 0.4401 0.4401 0.5028 0.5028 0.6580 0.6580 0.7933 0.7933 0.8333 0.8333 0.8399 0.8399 0.8997 0.8997 0.9220 0.9220 2.6059 2.6059 2.6321 2.6321 4.3631 4.3631 4.4281 4.4281 7.7487 7.7487 7.9388 7.9388 11.1427 11.1427 11.3287 11.3287 11.4961 11.4961 11.5221 11.5221 k = 0.2080 0.2313 0.4148 ( 3286 PWs) bands (ev): -3.5597 -3.5597 -3.5591 -3.5591 0.3893 0.3893 0.4166 0.4166 0.4392 0.4392 0.5021 0.5021 0.6606 0.6606 0.7949 0.7949 0.8324 0.8324 0.8399 0.8399 0.8994 0.8994 0.9216 0.9216 2.6474 2.6474 2.6723 2.6723 4.4255 4.4255 4.4951 4.4951 7.7389 7.7389 7.9330 7.9330 11.1135 11.1135 11.3235 11.3235 11.5165 11.5165 11.5196 11.5196 k = 0.1990 0.2212 0.4148 ( 3274 PWs) bands (ev): -3.5840 -3.5840 -3.5834 -3.5834 0.3911 0.3911 0.4182 0.4182 0.4387 0.4387 0.5014 0.5014 0.6639 0.6639 0.7962 0.7962 0.8317 0.8317 0.8405 0.8405 0.8992 0.8992 0.9213 0.9213 2.6930 2.6930 2.7163 2.7163 4.4881 4.4881 4.5626 4.5626 7.7123 7.7123 7.9093 7.9093 11.0290 11.0290 11.2037 11.2037 11.6157 11.6157 11.6441 11.6441 k = 0.1899 0.2112 0.4148 ( 3272 PWs) bands (ev): -3.6081 -3.6081 -3.6076 -3.6076 0.3932 0.3932 0.4197 0.4197 0.4383 0.4383 0.5008 0.5008 0.6678 0.6678 0.7970 0.7970 0.8312 0.8312 0.8415 0.8415 0.8992 0.8992 0.9210 0.9210 2.7426 2.7426 2.7641 2.7641 4.5507 4.5507 4.6306 4.6306 7.6701 7.6701 7.8690 7.8690 10.9277 10.9277 11.0783 11.0783 11.7434 11.7434 11.7942 11.7942 k = 0.1809 0.2011 0.4148 ( 3280 PWs) bands (ev): -3.6320 -3.6320 -3.6315 -3.6315 0.3956 0.3956 0.4212 0.4212 0.4382 0.4382 0.5002 0.5002 0.6722 0.6722 0.7973 0.7973 0.8309 0.8309 0.8430 0.8430 0.8992 0.8992 0.9209 0.9209 2.7962 2.7962 2.8157 2.8157 4.6130 4.6130 4.6988 4.6988 7.6137 7.6137 7.8136 7.8136 10.8247 10.8247 10.9582 10.9582 11.8822 11.8822 11.9531 11.9531 k = 0.1718 0.1911 0.4148 ( 3280 PWs) bands (ev): -3.6555 -3.6555 -3.6550 -3.6550 0.3982 0.3982 0.4226 0.4226 0.4384 0.4384 0.4996 0.4996 0.6770 0.6770 0.7972 0.7972 0.8309 0.8309 0.8449 0.8449 0.8995 0.8995 0.9209 0.9209 2.8537 2.8537 2.8711 2.8711 4.6749 4.6749 4.7670 4.7670 7.5443 7.5443 7.7448 7.7448 10.7253 10.7253 10.8452 10.8452 12.0168 12.0168 12.1126 12.1126 k = 0.1628 0.1810 0.4148 ( 3284 PWs) bands (ev): -3.6785 -3.6785 -3.6780 -3.6780 0.4010 0.4010 0.4239 0.4239 0.4387 0.4387 0.4990 0.4990 0.6822 0.6822 0.7967 0.7967 0.8310 0.8310 0.8470 0.8470 0.8998 0.8998 0.9209 0.9209 2.9152 2.9152 2.9301 2.9301 4.7359 4.7359 4.8351 4.8351 7.4635 7.4635 7.6644 7.6644 10.6313 10.6313 10.7396 10.7396 12.1248 12.1248 12.2516 12.2516 k = 0.1537 0.1710 0.4148 ( 3280 PWs) bands (ev): -3.7009 -3.7009 -3.7005 -3.7005 0.4039 0.4039 0.4251 0.4251 0.4392 0.4392 0.4983 0.4983 0.6877 0.6877 0.7960 0.7960 0.8313 0.8313 0.8492 0.8492 0.9003 0.9003 0.9210 0.9210 2.9804 2.9804 2.9926 2.9926 4.7960 4.7960 4.9028 4.9028 7.3727 7.3727 7.5740 7.5740 10.5437 10.5437 10.6417 10.6417 12.1808 12.1808 12.3109 12.3109 k = 0.1447 0.1609 0.4148 ( 3272 PWs) bands (ev): -3.7226 -3.7226 -3.7222 -3.7222 0.4068 0.4068 0.4262 0.4262 0.4400 0.4400 0.4976 0.4976 0.6933 0.6933 0.7950 0.7950 0.8319 0.8319 0.8514 0.8514 0.9010 0.9010 0.9212 0.9212 3.0492 3.0492 3.0587 3.0587 4.8546 4.8546 4.9698 4.9698 7.2733 7.2733 7.4752 7.4752 10.4625 10.4625 10.5513 10.5513 12.1847 12.1847 12.2891 12.2891 k = 0.1357 0.1508 0.4148 ( 3280 PWs) bands (ev): -3.7435 -3.7435 -3.7431 -3.7431 0.4097 0.4097 0.4273 0.4273 0.4408 0.4408 0.4966 0.4966 0.6990 0.6990 0.7937 0.7937 0.8325 0.8325 0.8535 0.8535 0.9018 0.9018 0.9213 0.9213 3.1214 3.1214 3.1279 3.1279 4.9115 4.9115 5.0359 5.0359 7.1666 7.1666 7.3697 7.3697 10.3880 10.3880 10.4683 10.4683 12.1581 12.1581 12.2419 12.2419 k = 0.1266 0.1408 0.4148 ( 3280 PWs) bands (ev): -3.7635 -3.7635 -3.7631 -3.7631 0.4125 0.4125 0.4282 0.4282 0.4419 0.4419 0.4957 0.4957 0.7047 0.7047 0.7924 0.7924 0.8334 0.8334 0.8554 0.8554 0.9027 0.9027 0.9215 0.9215 3.1969 3.1969 3.2002 3.2002 4.9664 4.9664 5.1010 5.1010 7.0541 7.0541 7.2590 7.2590 10.3199 10.3199 10.3924 10.3924 12.1168 12.1168 12.1871 12.1871 k = 0.1176 0.1307 0.4148 ( 3276 PWs) bands (ev): -3.7825 -3.7825 -3.7821 -3.7821 0.4152 0.4152 0.4291 0.4291 0.4432 0.4432 0.4946 0.4946 0.7103 0.7103 0.7909 0.7909 0.8344 0.8344 0.8570 0.8570 0.9038 0.9038 0.9216 0.9216 3.2752 3.2752 3.2752 3.2752 5.0189 5.0189 5.1646 5.1646 6.9368 6.9368 7.1445 7.1445 10.2581 10.2581 10.3233 10.3233 12.0686 12.0686 12.1295 12.1295 k = 0.1085 0.1207 0.4148 ( 3276 PWs) bands (ev): -3.8004 -3.8004 -3.8000 -3.8000 0.4178 0.4178 0.4299 0.4299 0.4447 0.4447 0.4934 0.4934 0.7157 0.7157 0.7893 0.7893 0.8356 0.8356 0.8584 0.8584 0.9049 0.9049 0.9218 0.9218 3.3526 3.3526 3.3560 3.3560 5.0686 5.0686 5.2266 5.2266 6.8162 6.8162 7.0277 7.0277 10.2022 10.2022 10.2606 10.2606 12.0171 12.0171 12.0709 12.0709 k = 0.0995 0.1106 0.4148 ( 3276 PWs) bands (ev): -3.8171 -3.8171 -3.8168 -3.8168 0.4201 0.4201 0.4306 0.4306 0.4464 0.4464 0.4922 0.4922 0.7210 0.7210 0.7876 0.7876 0.8369 0.8369 0.8595 0.8595 0.9061 0.9061 0.9219 0.9219 3.4319 3.4319 3.4388 3.4388 5.1151 5.1151 5.2867 5.2867 6.6934 6.6934 6.9099 6.9099 10.1521 10.1521 10.2041 10.2041 11.9647 11.9647 12.0125 12.0125 k = 0.0904 0.1006 0.4148 ( 3268 PWs) bands (ev): -3.8326 -3.8326 -3.8323 -3.8323 0.4222 0.4222 0.4312 0.4312 0.4483 0.4483 0.4908 0.4908 0.7260 0.7260 0.7858 0.7858 0.8384 0.8384 0.8603 0.8603 0.9074 0.9074 0.9220 0.9220 3.5126 3.5126 3.5230 3.5230 5.1582 5.1582 5.3445 5.3445 6.5697 6.5697 6.7925 6.7925 10.1073 10.1073 10.1535 10.1535 11.9126 11.9126 11.9553 11.9553 k = 0.0814 0.0905 0.4148 ( 3272 PWs) bands (ev): -3.8468 -3.8468 -3.8466 -3.8466 0.4240 0.4240 0.4317 0.4317 0.4503 0.4503 0.4893 0.4893 0.7308 0.7308 0.7840 0.7840 0.8399 0.8399 0.8608 0.8608 0.9087 0.9087 0.9220 0.9220 3.5939 3.5939 3.6078 3.6078 5.1975 5.1975 5.3999 5.3999 6.4463 6.4463 6.6769 6.6769 10.0678 10.0678 10.1084 10.1084 11.8622 11.8622 11.9000 11.9000 k = 0.0723 0.0805 0.4148 ( 3276 PWs) bands (ev): -3.8597 -3.8597 -3.8595 -3.8595 0.4257 0.4257 0.4322 0.4322 0.4525 0.4525 0.4878 0.4878 0.7354 0.7354 0.7820 0.7820 0.8415 0.8415 0.8611 0.8611 0.9100 0.9100 0.9219 0.9219 3.6750 3.6750 3.6922 3.6922 5.2328 5.2328 5.4523 5.4523 6.3248 6.3248 6.5643 6.5643 10.0332 10.0332 10.0686 10.0686 11.8144 11.8144 11.8477 11.8477 k = 0.0633 0.0704 0.4148 ( 3272 PWs) bands (ev): -3.8712 -3.8712 -3.8710 -3.8710 0.4271 0.4271 0.4325 0.4325 0.4549 0.4549 0.4861 0.4861 0.7397 0.7397 0.7800 0.7800 0.8432 0.8432 0.8610 0.8610 0.9113 0.9113 0.9218 0.9218 3.7549 3.7549 3.7749 3.7749 5.2643 5.2643 5.5013 5.5013 6.2068 6.2068 6.4562 6.4562 10.0034 10.0034 10.0338 10.0338 11.7701 11.7701 11.7990 11.7990 k = 0.0543 0.0603 0.4148 ( 3280 PWs) bands (ev): -3.8812 -3.8812 -3.8811 -3.8811 0.4283 0.4283 0.4328 0.4328 0.4572 0.4572 0.4843 0.4843 0.7437 0.7437 0.7780 0.7780 0.8449 0.8449 0.8607 0.8607 0.9126 0.9126 0.9216 0.9216 3.8321 3.8321 3.8542 3.8542 5.2923 5.2923 5.5458 5.5458 6.0948 6.0948 6.3539 6.3539 9.9782 9.9782 10.0039 10.0039 11.7301 11.7301 11.7548 11.7548 k = 0.0452 0.0503 0.4148 ( 3280 PWs) bands (ev): -3.8898 -3.8898 -3.8896 -3.8896 0.4293 0.4293 0.4330 0.4330 0.4597 0.4597 0.4825 0.4825 0.7475 0.7475 0.7758 0.7758 0.8466 0.8466 0.8602 0.8602 0.9138 0.9138 0.9214 0.9214 3.9050 3.9050 3.9282 3.9282 5.3177 5.3177 5.5836 5.5836 5.9928 5.9928 6.2587 6.2587 9.9574 9.9574 9.9785 9.9785 11.6953 11.6953 11.7158 11.7158 k = 0.0362 0.0402 0.4148 ( 3272 PWs) bands (ev): -3.8968 -3.8968 -3.8967 -3.8967 0.4302 0.4302 0.4331 0.4331 0.4622 0.4622 0.4805 0.4805 0.7512 0.7512 0.7736 0.7736 0.8484 0.8484 0.8595 0.8595 0.9149 0.9149 0.9210 0.9210 3.9714 3.9714 3.9940 3.9940 5.3420 5.3420 5.6091 5.6091 5.9086 5.9086 6.1715 6.1715 9.9409 9.9409 9.9576 9.9576 11.6662 11.6662 11.6826 11.6826 k = 0.0271 0.0302 0.4148 ( 3280 PWs) bands (ev): -3.9023 -3.9023 -3.9022 -3.9022 0.4310 0.4310 0.4331 0.4331 0.4647 0.4647 0.4785 0.4785 0.7545 0.7545 0.7712 0.7712 0.8501 0.8501 0.8586 0.8586 0.9160 0.9160 0.9205 0.9205 4.0287 4.0287 4.0489 4.0489 5.3674 5.3674 5.6099 5.6099 5.8569 5.8569 6.0931 6.0931 9.9287 9.9287 9.9411 9.9411 11.6435 11.6435 11.6557 11.6557 k = 0.0181 0.0201 0.4148 ( 3272 PWs) bands (ev): -3.9063 -3.9063 -3.9062 -3.9062 0.4316 0.4316 0.4330 0.4330 0.4671 0.4671 0.4764 0.4764 0.7577 0.7577 0.7688 0.7688 0.8518 0.8518 0.8575 0.8575 0.9170 0.9170 0.9200 0.9200 4.0743 4.0743 4.0896 4.0896 5.3968 5.3968 5.5778 5.5778 5.8488 5.8488 6.0238 6.0238 9.9205 9.9205 9.9288 9.9288 11.6274 11.6274 11.6356 11.6356 k = 0.0090 0.0101 0.4148 ( 3268 PWs) bands (ev): -3.9086 -3.9086 -3.9086 -3.9086 0.4321 0.4321 0.4328 0.4328 0.4696 0.4696 0.4742 0.4742 0.7607 0.7607 0.7662 0.7662 0.8534 0.8534 0.8563 0.8563 0.9179 0.9179 0.9194 0.9194 4.1050 4.1050 4.1133 4.1133 5.4327 5.4327 5.5277 5.5277 5.8723 5.8723 5.9636 5.9636 9.9165 9.9165 9.9206 9.9206 11.6185 11.6185 11.6226 11.6226 k = 0.0000 0.0000 0.4148 ( 3268 PWs) bands (ev): -3.9094 -3.9094 -3.9094 -3.9094 0.4325 0.4325 0.4325 0.4325 0.4719 0.4719 0.4719 0.4719 0.7636 0.7636 0.7636 0.7636 0.8549 0.8549 0.8549 0.8549 0.9187 0.9187 0.9187 0.9187 4.1185 4.1185 4.1185 4.1185 5.4768 5.4768 5.4768 5.4768 5.9126 5.9126 5.9126 5.9126 9.9165 9.9165 9.9165 9.9165 11.6169 11.6169 11.6169 11.6169 k = 0.0000 0.0000 0.4148 ( 3268 PWs) bands (ev): -3.9094 -3.9094 -3.9094 -3.9094 0.4325 0.4325 0.4325 0.4325 0.4719 0.4719 0.4719 0.4719 0.7636 0.7636 0.7636 0.7636 0.8549 0.8549 0.8549 0.8549 0.9187 0.9187 0.9187 0.9187 4.1185 4.1185 4.1185 4.1185 5.4768 5.4768 5.4768 5.4768 5.9126 5.9126 5.9126 5.9126 9.9165 9.9165 9.9165 9.9165 11.6169 11.6169 11.6169 11.6169 k = 0.0000 0.0000 0.4014 ( 3268 PWs) bands (ev): -3.9646 -3.9646 -3.8535 -3.8535 0.4280 0.4280 0.4377 0.4377 0.4715 0.4715 0.4723 0.4723 0.7603 0.7603 0.7669 0.7669 0.8526 0.8526 0.8570 0.8570 0.9165 0.9165 0.9208 0.9208 4.0425 4.0425 4.1973 4.1973 5.4217 5.4217 5.5311 5.5311 5.8573 5.8573 5.9710 5.9710 9.7531 9.7531 10.0701 10.0701 11.5627 11.5627 11.6749 11.6749 k = 0.0000 0.0000 0.3880 ( 3269 PWs) bands (ev): -4.0190 -4.0190 -3.7971 -3.7971 0.4242 0.4242 0.4434 0.4434 0.4712 0.4712 0.4728 0.4728 0.7573 0.7573 0.7705 0.7705 0.8503 0.8503 0.8590 0.8590 0.9141 0.9141 0.9228 0.9228 3.9693 3.9693 4.2786 4.2786 5.3664 5.3664 5.5830 5.5830 5.8063 5.8063 6.0320 6.0320 9.5823 9.5823 10.2109 10.2109 11.5124 11.5124 11.7367 11.7367 k = 0.0000 0.0000 0.3746 ( 3261 PWs) bands (ev): -4.0725 -4.0725 -3.7403 -3.7403 0.4210 0.4210 0.4498 0.4498 0.4708 0.4708 0.4735 0.4735 0.7544 0.7544 0.7742 0.7742 0.8478 0.8478 0.8610 0.8610 0.9117 0.9117 0.9246 0.9246 3.8989 3.8989 4.3624 4.3624 5.3116 5.3116 5.6274 5.6274 5.7644 5.7644 6.0953 6.0953 9.4064 9.4064 10.3359 10.3359 11.4660 11.4660 11.8022 11.8022 k = 0.0000 0.0000 0.3613 ( 3265 PWs) bands (ev): -4.1250 -4.1250 -3.6833 -3.6833 0.4184 0.4184 0.4566 0.4566 0.4705 0.4705 0.4743 0.4743 0.7516 0.7516 0.7780 0.7780 0.8452 0.8452 0.8630 0.8630 0.9093 0.9093 0.9262 0.9262 3.8314 3.8314 4.4483 4.4483 5.2577 5.2577 5.6449 5.6449 5.7511 5.7511 6.1606 6.1606 9.2273 9.2273 10.4422 10.4422 11.4236 11.4236 11.8714 11.8714 k = 0.0000 0.0000 0.3479 ( 3273 PWs) bands (ev): -4.1764 -4.1764 -3.6263 -3.6263 0.4164 0.4164 0.4632 0.4632 0.4702 0.4702 0.4760 0.4760 0.7490 0.7490 0.7820 0.7820 0.8425 0.8425 0.8650 0.8650 0.9068 0.9068 0.9276 0.9276 3.7668 3.7668 4.5359 4.5359 5.2052 5.2052 5.6208 5.6208 5.7805 5.7805 6.2276 6.2276 9.0467 9.0467 10.5273 10.5273 11.3851 11.3851 11.9441 11.9441 k = 0.0000 0.0000 0.3345 ( 3277 PWs) bands (ev): -4.2265 -4.2265 -3.5693 -3.5693 0.4149 0.4149 0.4682 0.4682 0.4700 0.4700 0.4797 0.4797 0.7466 0.7466 0.7862 0.7862 0.8397 0.8397 0.8671 0.8671 0.9043 0.9043 0.9287 0.9287 3.7051 3.7051 4.6244 4.6244 5.1551 5.1551 5.5822 5.5822 5.8259 5.8259 6.2961 6.2961 8.8660 8.8660 10.5897 10.5897 11.3507 11.3507 12.0204 12.0204 k = 0.0000 0.0000 0.3211 ( 3279 PWs) bands (ev): -4.2753 -4.2753 -3.5125 -3.5125 0.4139 0.4139 0.4693 0.4693 0.4712 0.4712 0.4866 0.4866 0.7445 0.7445 0.7905 0.7905 0.8369 0.8369 0.8695 0.8695 0.9019 0.9019 0.9296 0.9296 3.6464 3.6464 4.7120 4.7120 5.1088 5.1088 5.5419 5.5419 5.8746 5.8746 6.3655 6.3655 8.6867 8.6867 10.6290 10.6290 11.3202 11.3202 12.1001 12.1001 k = 0.0000 0.0000 0.3077 ( 3283 PWs) bands (ev): -4.3226 -4.3226 -3.4563 -3.4563 0.4133 0.4133 0.4690 0.4690 0.4723 0.4723 0.4953 0.4953 0.7425 0.7425 0.7948 0.7948 0.8341 0.8341 0.8722 0.8722 0.8995 0.8995 0.9302 0.9302 3.5905 3.5905 4.7944 4.7944 5.0703 5.0703 5.5030 5.5030 5.9236 5.9236 6.4351 6.4351 8.5102 8.5102 10.6459 10.6459 11.2935 11.2935 12.1832 12.1832 k = 0.0000 0.0000 0.2944 ( 3285 PWs) bands (ev): -4.3685 -4.3685 -3.4006 -3.4006 0.4132 0.4132 0.4686 0.4686 0.4729 0.4729 0.5047 0.5047 0.7408 0.7408 0.7992 0.7992 0.8314 0.8314 0.8754 0.8754 0.8974 0.8974 0.9305 0.9305 3.5375 3.5375 4.8581 4.8581 5.0521 5.0521 5.4675 5.4675 5.9722 5.9722 6.5040 6.5040 8.3379 8.3379 10.6420 10.6420 11.2706 11.2706 12.2695 12.2695 k = 0.0000 0.0000 0.2810 ( 3291 PWs) bands (ev): -4.4128 -4.4128 -3.3457 -3.3457 0.4134 0.4134 0.4681 0.4681 0.4734 0.4734 0.5145 0.5145 0.7394 0.7394 0.8033 0.8033 0.8289 0.8289 0.8790 0.8790 0.8957 0.8957 0.9306 0.9306 3.4874 3.4874 4.8774 4.8774 5.0778 5.0778 5.4376 5.4376 6.0201 6.0201 6.5709 6.5709 8.1717 8.1717 10.6193 10.6193 11.2514 11.2514 12.3591 12.3591 k = 0.0000 0.0000 0.2676 ( 3293 PWs) bands (ev): -4.4554 -4.4554 -3.2919 -3.2919 0.4140 0.4140 0.4676 0.4676 0.4738 0.4738 0.5245 0.5245 0.7383 0.7383 0.8071 0.8071 0.8266 0.8266 0.8824 0.8824 0.8955 0.8955 0.9304 0.9304 3.4401 3.4401 4.8578 4.8578 5.1362 5.1362 5.4189 5.4189 6.0672 6.0672 6.6338 6.6338 8.0140 8.0140 10.5800 10.5800 11.2356 11.2356 12.4518 12.4518 k = 0.0000 0.0000 0.2542 ( 3303 PWs) bands (ev): -4.4963 -4.4963 -3.2392 -3.2392 0.4148 0.4148 0.4671 0.4671 0.4740 0.4740 0.5342 0.5342 0.7375 0.7375 0.8102 0.8102 0.8248 0.8248 0.8838 0.8838 0.8987 0.8987 0.9300 0.9300 3.3957 3.3957 4.8247 4.8247 5.1892 5.1892 5.4238 5.4238 6.1138 6.1138 6.6896 6.6896 7.8682 7.8682 10.5261 10.5261 11.2234 11.2234 12.5473 12.5473 k = 0.0000 0.0000 0.2408 ( 3299 PWs) bands (ev): -4.5355 -4.5355 -3.1880 -3.1880 0.4159 0.4159 0.4665 0.4665 0.4742 0.4742 0.5437 0.5437 0.7371 0.7371 0.8122 0.8122 0.8240 0.8240 0.8830 0.8830 0.9057 0.9057 0.9295 0.9295 3.3540 3.3540 4.7881 4.7881 5.2116 5.2116 5.4670 5.4670 6.1601 6.1601 6.7334 6.7334 7.7395 7.7395 10.4593 10.4593 11.2144 11.2144 12.6455 12.6455 k = 0.0000 0.0000 0.2275 ( 3309 PWs) bands (ev): -4.5728 -4.5728 -3.1383 -3.1383 0.4172 0.4172 0.4658 0.4658 0.4742 0.4742 0.5526 0.5526 0.7370 0.7370 0.8125 0.8125 0.8245 0.8245 0.8813 0.8813 0.9148 0.9148 0.9295 0.9295 3.3150 3.3150 4.7514 4.7514 5.2063 5.2063 5.5414 5.5414 6.2067 6.2067 6.7585 6.7585 7.6351 7.6351 10.3812 10.3812 11.2086 11.2086 12.7451 12.7451 k = 0.0000 0.0000 0.2141 ( 3313 PWs) bands (ev): -4.6082 -4.6082 -3.0903 -3.0903 0.4187 0.4187 0.4651 0.4651 0.4742 0.4742 0.5608 0.5608 0.7371 0.7371 0.8116 0.8116 0.8260 0.8260 0.8793 0.8793 0.9220 0.9220 0.9334 0.9334 3.2787 3.2787 4.7158 4.7158 5.1884 5.1884 5.6294 5.6294 6.2545 6.2545 6.7569 6.7569 7.5636 7.5636 10.2930 10.2930 11.2058 11.2058 12.8234 12.8234 k = 0.0000 0.0000 0.2007 ( 3317 PWs) bands (ev): -4.6418 -4.6418 -3.0443 -3.0443 0.4203 0.4203 0.4643 0.4643 0.4741 0.4741 0.5684 0.5684 0.7376 0.7376 0.8101 0.8101 0.8278 0.8278 0.8772 0.8772 0.9227 0.9227 0.9458 0.9458 3.2451 3.2451 4.6816 4.6816 5.1663 5.1663 5.7203 5.7203 6.3046 6.3046 6.7242 6.7242 7.5300 7.5300 10.1958 10.1958 11.2059 11.2059 12.8062 12.8062 k = 0.0000 0.0000 0.1873 ( 3319 PWs) bands (ev): -4.6733 -4.6733 -3.0004 -3.0004 0.4220 0.4220 0.4634 0.4634 0.4739 0.4739 0.5751 0.5751 0.7383 0.7383 0.8084 0.8084 0.8298 0.8298 0.8751 0.8751 0.9214 0.9214 0.9619 0.9619 3.2140 3.2140 4.6494 4.6494 5.1430 5.1430 5.8074 5.8074 6.3587 6.3587 6.6649 6.6649 7.5313 7.5313 10.0905 10.0905 11.2085 11.2085 12.7739 12.7739 k = 0.0000 0.0000 0.1739 ( 3315 PWs) bands (ev): -4.7028 -4.7028 -2.9588 -2.9588 0.4237 0.4237 0.4625 0.4625 0.4736 0.4736 0.5811 0.5811 0.7391 0.7391 0.8068 0.8068 0.8317 0.8317 0.8731 0.8731 0.9195 0.9195 0.9802 0.9802 3.1855 3.1855 4.6192 4.6192 5.1199 5.1199 5.8849 5.8849 6.4181 6.4181 6.5913 6.5913 7.5582 7.5582 9.9782 9.9782 11.2135 11.2135 12.7376 12.7376 k = 0.0000 0.0000 0.1606 ( 3319 PWs) bands (ev): -4.7303 -4.7303 -2.9197 -2.9197 0.4256 0.4256 0.4615 0.4615 0.4732 0.4732 0.5863 0.5863 0.7399 0.7399 0.8052 0.8052 0.8336 0.8336 0.8711 0.8711 0.9173 0.9173 0.9999 0.9999 3.1594 3.1594 4.5911 4.5911 5.0978 5.0978 5.9459 5.9459 6.4684 6.4684 6.5331 6.5331 7.6012 7.6012 9.8596 9.8596 11.2204 11.2204 12.6985 12.6985 k = 0.0000 0.0000 0.1472 ( 3323 PWs) bands (ev): -4.7557 -4.7557 -2.8832 -2.8832 0.4274 0.4274 0.4605 0.4605 0.4727 0.4727 0.5908 0.5908 0.7408 0.7408 0.8037 0.8037 0.8355 0.8355 0.8694 0.8694 0.9148 0.9148 1.0208 1.0208 3.1358 3.1358 4.5653 4.5653 5.0771 5.0771 5.9823 5.9823 6.4287 6.4287 6.5860 6.5860 7.6532 7.6532 9.7355 9.7355 11.2290 11.2290 12.6575 12.6575 k = 0.0000 0.0000 0.1338 ( 3313 PWs) bands (ev): -4.7790 -4.7790 -2.8493 -2.8493 0.4292 0.4292 0.4595 0.4595 0.4722 0.4722 0.5947 0.5947 0.7415 0.7415 0.8025 0.8025 0.8373 0.8373 0.8678 0.8678 0.9122 0.9122 1.0423 1.0423 3.1145 3.1145 4.5417 4.5417 5.0578 5.0578 5.9862 5.9862 6.3833 6.3833 6.6776 6.6776 7.7096 7.7096 9.6069 9.6069 11.2388 11.2388 12.6155 12.6155 k = 0.0000 0.0000 0.1204 ( 3317 PWs) bands (ev): -4.8001 -4.8001 -2.8184 -2.8184 0.4309 0.4309 0.4584 0.4584 0.4716 0.4716 0.5981 0.5981 0.7421 0.7421 0.8014 0.8014 0.8391 0.8391 0.8665 0.8665 0.9093 0.9093 1.0640 1.0640 3.0956 3.0956 4.5204 4.5204 5.0402 5.0402 5.9570 5.9570 6.3618 6.3618 6.7815 6.7815 7.7673 7.7673 9.4745 9.4745 11.2496 11.2496 12.5734 12.5734 k = 0.0000 0.0000 0.1070 ( 3325 PWs) bands (ev): -4.8191 -4.8191 -2.7904 -2.7904 0.4325 0.4325 0.4574 0.4574 0.4709 0.4709 0.6011 0.6011 0.7425 0.7425 0.8004 0.8004 0.8407 0.8407 0.8656 0.8656 0.9063 0.9063 1.0854 1.0854 3.0789 3.0789 4.5015 4.5015 5.0244 5.0244 5.9049 5.9049 6.3594 6.3594 6.8937 6.8937 7.8244 7.8244 9.3392 9.3392 11.2607 11.2607 12.5322 12.5322 k = 0.0000 0.0000 0.0937 ( 3319 PWs) bands (ev): -4.8359 -4.8359 -2.7655 -2.7655 0.4341 0.4341 0.4564 0.4564 0.4702 0.4702 0.6037 0.6037 0.7428 0.7428 0.7997 0.7997 0.8422 0.8422 0.8651 0.8651 0.9032 0.9032 1.1059 1.1059 3.0644 3.0644 4.4848 4.4848 5.0104 5.0104 5.8432 5.8432 6.3667 6.3667 7.0113 7.0113 7.8794 7.8794 9.2021 9.2021 11.2720 11.2720 12.4927 12.4927 k = 0.0000 0.0000 0.0803 ( 3323 PWs) bands (ev): -4.8505 -4.8505 -2.7437 -2.7437 0.4355 0.4355 0.4555 0.4555 0.4696 0.4696 0.6058 0.6058 0.7429 0.7429 0.7992 0.7992 0.8433 0.8433 0.8652 0.8652 0.9001 0.9001 1.1250 1.1250 3.0520 3.0520 4.4705 4.4705 4.9982 4.9982 5.7808 5.7808 6.3773 6.3773 7.1317 7.1317 7.9315 7.9315 9.0642 9.0642 11.2828 11.2828 12.4561 12.4561 k = 0.0000 0.0000 0.0669 ( 3335 PWs) bands (ev): -4.8628 -4.8628 -2.7252 -2.7252 0.4367 0.4367 0.4547 0.4547 0.4689 0.4689 0.6077 0.6077 0.7429 0.7429 0.7988 0.7988 0.8441 0.8441 0.8658 0.8658 0.8969 0.8969 1.1422 1.1422 3.0417 3.0417 4.4585 4.4585 4.9879 4.9879 5.7231 5.7231 6.3881 6.3881 7.2520 7.2520 7.9803 7.9803 8.9268 8.9268 11.2928 11.2928 12.4231 12.4231 k = 0.0000 0.0000 0.0535 ( 3335 PWs) bands (ev): -4.8730 -4.8730 -2.7099 -2.7099 0.4378 0.4378 0.4540 0.4540 0.4683 0.4683 0.6092 0.6092 0.7428 0.7428 0.7985 0.7985 0.8446 0.8446 0.8670 0.8670 0.8937 0.8937 1.1571 1.1571 3.0333 3.0333 4.4487 4.4487 4.9795 4.9795 5.6731 5.6731 6.3977 6.3977 7.3686 7.3686 8.0264 8.0264 8.7918 8.7918 11.3017 11.3017 12.3947 12.3947 k = 0.0000 0.0000 0.0401 ( 3335 PWs) bands (ev): -4.8809 -4.8809 -2.6980 -2.6980 0.4387 0.4387 0.4535 0.4535 0.4678 0.4678 0.6104 0.6104 0.7426 0.7426 0.7984 0.7984 0.8449 0.8449 0.8686 0.8686 0.8907 0.8907 1.1692 1.1692 3.0269 3.0269 4.4412 4.4412 4.9730 4.9730 5.6325 5.6325 6.4055 6.4055 7.4762 7.4762 8.0712 8.0712 8.6618 8.6618 11.3089 11.3089 12.3717 12.3717 k = 0.0000 0.0000 0.0268 ( 3329 PWs) bands (ev): -4.8865 -4.8865 -2.6895 -2.6895 0.4393 0.4393 0.4531 0.4531 0.4674 0.4674 0.6113 0.6113 0.7425 0.7425 0.7983 0.7983 0.8450 0.8450 0.8703 0.8703 0.8881 0.8881 1.1780 1.1780 3.0224 3.0224 4.4358 4.4358 4.9684 4.9684 5.6028 5.6028 6.4113 6.4113 7.5666 7.5666 8.1173 8.1173 8.5419 8.5419 11.3144 11.3144 12.3547 12.3547 k = 0.0000 0.0000 0.0134 ( 3331 PWs) bands (ev): -4.8899 -4.8899 -2.6843 -2.6843 0.4397 0.4397 0.4529 0.4529 0.4671 0.4671 0.6118 0.6118 0.7424 0.7424 0.7983 0.7983 0.8450 0.8450 0.8718 0.8718 0.8860 0.8860 1.1835 1.1835 3.0197 3.0197 4.4326 4.4326 4.9656 4.9656 5.5847 5.5847 6.4147 6.4147 7.6286 7.6286 8.1642 8.1642 8.4431 8.4431 11.3177 11.3177 12.3442 12.3442 k = 0.0000 0.0000 0.0000 ( 3343 PWs) bands (ev): -4.8911 -4.8911 -2.6826 -2.6826 0.4398 0.4398 0.4528 0.4528 0.4670 0.4670 0.6119 0.6119 0.7423 0.7423 0.7983 0.7983 0.8449 0.8449 0.8724 0.8724 0.8852 0.8852 1.1853 1.1853 3.0187 3.0187 4.4316 4.4316 4.9647 4.9647 5.5786 5.5786 6.4159 6.4159 7.6509 7.6509 8.1906 8.1906 8.3979 8.3979 11.3189 11.3189 12.3407 12.3407 k = 0.0000 0.0000 0.0000 ( 3343 PWs) bands (ev): -4.8911 -4.8911 -2.6826 -2.6826 0.4398 0.4398 0.4528 0.4528 0.4670 0.4670 0.6119 0.6119 0.7423 0.7423 0.7983 0.7983 0.8449 0.8449 0.8724 0.8724 0.8852 0.8852 1.1853 1.1853 3.0187 3.0187 4.4316 4.4316 4.9647 4.9647 5.5786 5.5786 6.4159 6.4159 7.6509 7.6509 8.1906 8.1906 8.3979 8.3979 11.3189 11.3189 12.3407 12.3407 k =-0.0100 0.0090 0.0000 ( 3331 PWs) bands (ev): -4.8900 -4.8900 -2.6829 -2.6829 0.4396 0.4396 0.4528 0.4528 0.4671 0.4671 0.6119 0.6119 0.7423 0.7423 0.7982 0.7982 0.8448 0.8448 0.8723 0.8723 0.8853 0.8853 1.1851 1.1851 3.0205 3.0205 4.4256 4.4256 4.9595 4.9595 5.5888 5.5888 6.4175 6.4175 7.6438 7.6438 8.1308 8.1308 8.4631 8.4631 11.3219 11.3219 12.3449 12.3449 k =-0.0200 0.0180 0.0000 ( 3335 PWs) bands (ev): -4.8868 -4.8868 -2.6837 -2.6837 0.4391 0.4391 0.4528 0.4528 0.4671 0.4671 0.6116 0.6116 0.7421 0.7421 0.7980 0.7980 0.8445 0.8445 0.8721 0.8721 0.8855 0.8855 1.1844 1.1844 3.0255 3.0255 4.4081 4.4081 4.9441 4.9441 5.6184 5.6184 6.4222 6.4222 7.6218 7.6218 8.0279 8.0279 8.5831 8.5831 11.3312 11.3312 12.3490 12.3490 k =-0.0300 0.0270 0.0000 ( 3329 PWs) bands (ev): -4.8816 -4.8816 -2.6849 -2.6849 0.4383 0.4383 0.4529 0.4529 0.4672 0.4672 0.6112 0.6112 0.7418 0.7418 0.7977 0.7977 0.8439 0.8439 0.8716 0.8716 0.8858 0.8858 1.1832 1.1832 3.0340 3.0340 4.3809 4.3809 4.9199 4.9199 5.6647 5.6647 6.4298 6.4298 7.5827 7.5827 7.9264 7.9264 8.7156 8.7156 11.3466 11.3466 12.2855 12.2855 k =-0.0400 0.0360 0.0000 ( 3321 PWs) bands (ev): -4.8742 -4.8742 -2.6868 -2.6868 0.4370 0.4370 0.4530 0.4530 0.4673 0.4673 0.6106 0.6106 0.7414 0.7414 0.7973 0.7973 0.8431 0.8431 0.8711 0.8711 0.8862 0.8862 1.1816 1.1816 3.0458 3.0458 4.3458 4.3458 4.8880 4.8880 5.7241 5.7241 6.4400 6.4400 7.5241 7.5241 7.8369 7.8369 8.8529 8.8529 11.3684 11.3684 12.1705 12.1705 k =-0.0500 0.0450 0.0000 ( 3325 PWs) bands (ev): -4.8647 -4.8647 -2.6891 -2.6891 0.4355 0.4355 0.4531 0.4531 0.4674 0.4674 0.6098 0.6098 0.7408 0.7408 0.7967 0.7967 0.8420 0.8420 0.8703 0.8703 0.8867 0.8867 1.1795 1.1795 3.0609 3.0609 4.3053 4.3053 4.8497 4.8497 5.7930 5.7930 6.4526 6.4526 7.4467 7.4467 7.7617 7.7617 8.9924 8.9924 11.3966 11.3966 12.0344 12.0344 k =-0.0600 0.0540 0.0000 ( 3321 PWs) bands (ev): -4.8532 -4.8532 -2.6920 -2.6920 0.4336 0.4336 0.4533 0.4533 0.4675 0.4675 0.6089 0.6089 0.7400 0.7400 0.7961 0.7961 0.8408 0.8408 0.8695 0.8695 0.8874 0.8874 1.1771 1.1771 3.0792 3.0792 4.2611 4.2611 4.8058 4.8058 5.8675 5.8675 6.4678 6.4678 7.3558 7.3558 7.6977 7.6977 9.1326 9.1326 11.4312 11.4312 11.8854 11.8854 k =-0.0700 0.0630 0.0000 ( 3325 PWs) bands (ev): -4.8396 -4.8396 -2.6955 -2.6955 0.4313 0.4313 0.4535 0.4535 0.4676 0.4676 0.6080 0.6080 0.7392 0.7392 0.7953 0.7953 0.8394 0.8394 0.8685 0.8685 0.8881 0.8881 1.1744 1.1744 3.1006 3.1006 4.2150 4.2150 4.7572 4.7572 5.9429 5.9429 6.4867 6.4867 7.2584 7.2584 7.6396 7.6396 9.2722 9.2722 11.4723 11.4723 11.7292 11.7292 k =-0.0800 0.0719 0.0000 ( 3331 PWs) bands (ev): -4.8240 -4.8240 -2.6995 -2.6995 0.4287 0.4287 0.4538 0.4538 0.4676 0.4676 0.6069 0.6069 0.7381 0.7381 0.7946 0.7946 0.8378 0.8378 0.8675 0.8675 0.8889 0.8889 1.1714 1.1714 3.1251 3.1251 4.1682 4.1682 4.7047 4.7047 6.0136 6.0136 6.5113 6.5113 7.1605 7.1605 7.5837 7.5837 9.4102 9.4102 11.5158 11.5158 11.5740 11.5740 k =-0.0900 0.0809 0.0000 ( 3327 PWs) bands (ev): -4.8064 -4.8064 -2.7041 -2.7041 0.4259 0.4259 0.4542 0.4542 0.4678 0.4678 0.6058 0.6058 0.7369 0.7369 0.7938 0.7938 0.8361 0.8361 0.8664 0.8664 0.8898 0.8898 1.1682 1.1682 3.1524 3.1524 4.1216 4.1216 4.6488 4.6488 6.0719 6.0719 6.5455 6.5455 7.0669 7.0669 7.5279 7.5279 9.5449 9.5449 11.4059 11.4059 11.5795 11.5795 k =-0.1000 0.0899 0.0000 ( 3327 PWs) bands (ev): -4.7868 -4.7868 -2.7094 -2.7094 0.4229 0.4229 0.4547 0.4547 0.4678 0.4678 0.6047 0.6047 0.7355 0.7355 0.7931 0.7931 0.8344 0.8344 0.8654 0.8654 0.8907 0.8907 1.1648 1.1648 3.1825 3.1825 4.0760 4.0760 4.5902 4.5902 6.1095 6.1095 6.5930 6.5930 6.9820 6.9820 7.4715 7.4715 9.6744 9.6744 11.2504 11.2504 11.6411 11.6411 k =-0.1100 0.0989 0.0000 ( 3327 PWs) bands (ev): -4.7653 -4.7653 -2.7153 -2.7153 0.4196 0.4196 0.4552 0.4552 0.4679 0.4679 0.6036 0.6036 0.7340 0.7340 0.7924 0.7924 0.8326 0.8326 0.8643 0.8643 0.8918 0.8918 1.1612 1.1612 3.2152 3.2152 4.0319 4.0319 4.5295 4.5295 6.1208 6.1208 6.6521 6.6521 6.9123 6.9123 7.4143 7.4143 9.7956 9.7956 11.1014 11.1014 11.7105 11.7105 k =-0.1200 0.1079 0.0000 ( 3319 PWs) bands (ev): -4.7418 -4.7418 -2.7217 -2.7217 0.4161 0.4161 0.4557 0.4557 0.4680 0.4680 0.6026 0.6026 0.7323 0.7323 0.7918 0.7918 0.8308 0.8308 0.8632 0.8632 0.8929 0.8929 1.1576 1.1576 3.2503 3.2503 3.9897 3.9897 4.4672 4.4672 6.1054 6.1054 6.7042 6.7042 6.8761 6.8761 7.3563 7.3563 9.9042 9.9042 10.9639 10.9639 11.7873 11.7873 k =-0.1300 0.1169 0.0000 ( 3323 PWs) bands (ev): -4.7165 -4.7165 -2.7289 -2.7289 0.4126 0.4126 0.4564 0.4564 0.4681 0.4681 0.6016 0.6016 0.7304 0.7304 0.7913 0.7913 0.8291 0.8291 0.8621 0.8621 0.8941 0.8941 1.1540 1.1540 3.2873 3.2873 3.9497 3.9497 4.4037 4.4037 6.0665 6.0665 6.7077 6.7077 6.9106 6.9106 7.2980 7.2980 9.9930 9.9930 10.8452 10.8452 11.8713 11.8713 k =-0.1400 0.1259 0.0000 ( 3327 PWs) bands (ev): -4.6894 -4.6894 -2.7367 -2.7367 0.4089 0.4089 0.4570 0.4570 0.4682 0.4682 0.6007 0.6007 0.7283 0.7283 0.7909 0.7909 0.8274 0.8274 0.8611 0.8611 0.8953 0.8953 1.1504 1.1504 3.3259 3.3259 3.9121 3.9121 4.3397 4.3397 6.0091 6.0091 6.6766 6.6766 6.9956 6.9956 7.2399 7.2399 10.0512 10.0512 10.7553 10.7553 11.9624 11.9624 k =-0.1500 0.1349 0.0000 ( 3323 PWs) bands (ev): -4.6604 -4.6604 -2.7452 -2.7452 0.4052 0.4052 0.4577 0.4577 0.4684 0.4684 0.6000 0.6000 0.7262 0.7262 0.7907 0.7907 0.8258 0.8258 0.8601 0.8601 0.8966 0.8966 1.1468 1.1468 3.3656 3.3656 3.8773 3.8773 4.2756 4.2756 5.9382 5.9382 6.6396 6.6396 7.0957 7.0957 7.1826 7.1826 10.0675 10.0675 10.7049 10.7049 12.0604 12.0604 k =-0.1600 0.1439 0.0000 ( 3315 PWs) bands (ev): -4.6298 -4.6298 -2.7543 -2.7543 0.4016 0.4016 0.4584 0.4584 0.4686 0.4686 0.5994 0.5994 0.7240 0.7240 0.7906 0.7906 0.8243 0.8243 0.8592 0.8592 0.8980 0.8980 1.1433 1.1433 3.4052 3.4052 3.8458 3.8458 4.2120 4.2120 5.8583 5.8583 6.6024 6.6024 7.1254 7.1254 7.2004 7.2004 10.0406 10.0406 10.6938 10.6938 12.1652 12.1652 k =-0.1700 0.1529 0.0000 ( 3315 PWs) bands (ev): -4.5975 -4.5975 -2.7641 -2.7641 0.3981 0.3981 0.4591 0.4591 0.4688 0.4688 0.5990 0.5990 0.7216 0.7216 0.7906 0.7906 0.8230 0.8230 0.8584 0.8584 0.8995 0.8995 1.1399 1.1399 3.4434 3.4434 3.8182 3.8182 4.1495 4.1495 5.7728 5.7728 6.5650 6.5650 7.0709 7.0709 7.3023 7.3023 9.9852 9.9852 10.7066 10.7066 12.2764 12.2764 k =-0.1800 0.1619 0.0000 ( 3305 PWs) bands (ev): -4.5636 -4.5636 -2.7745 -2.7745 0.3947 0.3947 0.4599 0.4599 0.4692 0.4692 0.5988 0.5988 0.7193 0.7193 0.7909 0.7909 0.8218 0.8218 0.8577 0.8577 0.9010 0.9010 1.1367 1.1367 3.4776 3.4776 3.7960 3.7960 4.0891 4.0891 5.6845 5.6845 6.5265 6.5265 7.0182 7.0182 7.3987 7.3987 9.9190 9.9190 10.7247 10.7247 12.3937 12.3937 k =-0.1900 0.1709 0.0000 ( 3305 PWs) bands (ev): -4.5281 -4.5281 -2.7855 -2.7855 0.3915 0.3915 0.4605 0.4605 0.4696 0.4696 0.5989 0.5989 0.7170 0.7170 0.7913 0.7913 0.8207 0.8207 0.8570 0.8570 0.9025 0.9025 1.1336 1.1336 3.5040 3.5040 3.7808 3.7808 4.0328 4.0328 5.5956 5.5956 6.4861 6.4861 6.9677 6.9677 7.4860 7.4860 9.8545 9.8545 10.7358 10.7358 12.5164 12.5164 k =-0.2000 0.1799 0.0000 ( 3309 PWs) bands (ev): -4.4912 -4.4912 -2.7972 -2.7972 0.3887 0.3887 0.4611 0.4611 0.4701 0.4701 0.5991 0.5991 0.7147 0.7147 0.7919 0.7919 0.8197 0.8197 0.8565 0.8565 0.9041 0.9041 1.1306 1.1306 3.5183 3.5183 3.7726 3.7726 3.9843 3.9843 5.5078 5.5078 6.4433 6.4433 6.9197 6.9197 7.5608 7.5608 9.7992 9.7992 10.7339 10.7339 12.6432 12.6432 k =-0.2100 0.1889 0.0000 ( 3305 PWs) bands (ev): -4.4530 -4.4530 -2.8095 -2.8095 0.3861 0.3861 0.4617 0.4617 0.4707 0.4707 0.5997 0.5997 0.7125 0.7125 0.7926 0.7926 0.8190 0.8190 0.8562 0.8562 0.9058 0.9058 1.1278 1.1278 3.5181 3.5181 3.7648 3.7648 3.9523 3.9523 5.4224 5.4224 6.3982 6.3982 6.8742 6.8742 7.6201 7.6201 9.7564 9.7564 10.7183 10.7183 12.7686 12.7686 k =-0.2200 0.1978 0.0000 ( 3305 PWs) bands (ev): -4.4134 -4.4134 -2.8224 -2.8224 0.3840 0.3840 0.4621 0.4621 0.4715 0.4715 0.6005 0.6005 0.7104 0.7104 0.7935 0.7935 0.8183 0.8183 0.8560 0.8560 0.9075 0.9075 1.1252 1.1252 3.5045 3.5045 3.7441 3.7441 3.9484 3.9484 5.3408 5.3408 6.3507 6.3507 6.8311 6.8311 7.6617 7.6617 9.7262 9.7262 10.6924 10.6924 12.8446 12.8446 k =-0.2300 0.2068 0.0000 ( 3305 PWs) bands (ev): -4.3727 -4.3727 -2.8357 -2.8357 0.3822 0.3822 0.4624 0.4624 0.4724 0.4724 0.6016 0.6016 0.7085 0.7085 0.7946 0.7946 0.8178 0.8178 0.8559 0.8559 0.9093 0.9093 1.1228 1.1228 3.4807 3.4807 3.7062 3.7062 3.9727 3.9727 5.2641 5.2641 6.3014 6.3014 6.7902 6.7902 7.6846 7.6846 9.7050 9.7050 10.6634 10.6634 12.7526 12.7526 k =-0.2400 0.2158 0.0000 ( 3297 PWs) bands (ev): -4.3308 -4.3308 -2.8496 -2.8496 0.3810 0.3810 0.4627 0.4627 0.4735 0.4735 0.6030 0.6030 0.7068 0.7068 0.7958 0.7958 0.8174 0.8174 0.8561 0.8561 0.9112 0.9112 1.1205 1.1205 3.4497 3.4497 3.6580 3.6580 4.0148 4.0148 5.1936 5.1936 6.2505 6.2505 6.7512 6.7512 7.6892 7.6892 9.6849 9.6849 10.6419 10.6419 12.6040 12.6040 k =-0.2500 0.2248 0.0000 ( 3301 PWs) bands (ev): -4.2880 -4.2880 -2.8639 -2.8639 0.3803 0.3803 0.4628 0.4628 0.4747 0.4747 0.6047 0.6047 0.7053 0.7053 0.7971 0.7971 0.8172 0.8172 0.8565 0.8565 0.9131 0.9131 1.1184 1.1184 3.4133 3.4133 3.6046 3.6046 4.0669 4.0669 5.1303 5.1303 6.1987 6.1987 6.7139 6.7139 7.6773 7.6773 9.6556 9.6556 10.6397 10.6397 12.4435 12.4435 k =-0.2600 0.2338 0.0000 ( 3303 PWs) bands (ev): -4.2444 -4.2444 -2.8787 -2.8787 0.3801 0.3801 0.4628 0.4628 0.4759 0.4759 0.6066 0.6066 0.7040 0.7040 0.7985 0.7985 0.8170 0.8170 0.8570 0.8570 0.9150 0.9150 1.1165 1.1165 3.3729 3.3729 3.5482 3.5482 4.1247 4.1247 5.0753 5.0753 6.1463 6.1463 6.6781 6.6781 7.6514 7.6514 9.6073 9.6073 10.6670 10.6670 12.2783 12.2783 k =-0.2700 0.2428 0.0000 ( 3299 PWs) bands (ev): -4.1999 -4.1999 -2.8938 -2.8938 0.3806 0.3806 0.4629 0.4629 0.4773 0.4773 0.6089 0.6089 0.7031 0.7031 0.7999 0.7999 0.8170 0.8170 0.8579 0.8579 0.9171 0.9171 1.1148 1.1148 3.3291 3.3291 3.4895 3.4895 4.1862 4.1862 5.0296 5.0296 6.0939 6.0939 6.6437 6.6437 7.6146 7.6146 9.5355 9.5355 10.7281 10.7281 12.1110 12.1110 k =-0.2800 0.2518 0.0000 ( 3299 PWs) bands (ev): -4.1549 -4.1549 -2.9092 -2.9092 0.3816 0.3816 0.4628 0.4628 0.4788 0.4788 0.6115 0.6115 0.7024 0.7024 0.8014 0.8014 0.8171 0.8171 0.8590 0.8590 0.9191 0.9191 1.1132 1.1132 3.2826 3.2826 3.4287 3.4287 4.2499 4.2499 4.9937 4.9937 6.0419 6.0419 6.6105 6.6105 7.5697 7.5697 9.4415 9.4415 10.8210 10.8210 11.9435 11.9435 k =-0.2900 0.2608 0.0000 ( 3299 PWs) bands (ev): -4.1094 -4.1094 -2.9249 -2.9249 0.3832 0.3832 0.4627 0.4627 0.4803 0.4803 0.6143 0.6143 0.7021 0.7021 0.8028 0.8028 0.8173 0.8173 0.8603 0.8603 0.9212 0.9212 1.1118 1.1118 3.2335 3.2335 3.3662 3.3662 4.3148 4.3148 4.9684 4.9684 5.9905 5.9905 6.5784 6.5784 7.5191 7.5191 9.3296 9.3296 10.9407 10.9407 11.7768 11.7768 k =-0.3000 0.2698 0.0000 ( 3291 PWs) bands (ev): -4.0636 -4.0636 -2.9409 -2.9409 0.3854 0.3854 0.4626 0.4626 0.4820 0.4820 0.6174 0.6174 0.7021 0.7021 0.8042 0.8042 0.8177 0.8177 0.8620 0.8620 0.9234 0.9234 1.1105 1.1105 3.1816 3.1816 3.3029 3.3029 4.3802 4.3802 4.9540 4.9540 5.9402 5.9402 6.5474 6.5474 7.4649 7.4649 9.2049 9.2049 11.0813 11.0813 11.6118 11.6118 k =-0.3100 0.2788 0.0000 ( 3285 PWs) bands (ev): -4.0175 -4.0175 -2.9570 -2.9570 0.3882 0.3882 0.4624 0.4624 0.4838 0.4838 0.6207 0.6207 0.7024 0.7024 0.8055 0.8055 0.8181 0.8181 0.8639 0.8639 0.9257 0.9257 1.1094 1.1094 3.1258 3.1258 3.2405 3.2405 4.4453 4.4453 4.9507 4.9507 5.8911 5.8911 6.5174 6.5174 7.4087 7.4087 9.0713 9.0713 11.2378 11.2378 11.4500 11.4500 k =-0.3200 0.2878 0.0000 ( 3283 PWs) bands (ev): -3.9715 -3.9715 -2.9733 -2.9733 0.3915 0.3915 0.4623 0.4623 0.4858 0.4858 0.6241 0.6241 0.7032 0.7032 0.8067 0.8067 0.8187 0.8187 0.8662 0.8662 0.9280 0.9280 1.1083 1.1083 3.0648 3.0648 3.1810 3.1810 4.5095 4.5095 4.9586 4.9586 5.8437 5.8437 6.4886 6.4886 7.3517 7.3517 8.9320 8.9320 11.2854 11.2854 11.4127 11.4127 k =-0.3300 0.2968 0.0000 ( 3281 PWs) bands (ev): -3.9256 -3.9256 -2.9896 -2.9896 0.3953 0.3953 0.4621 0.4621 0.4880 0.4880 0.6276 0.6276 0.7043 0.7043 0.8077 0.8077 0.8193 0.8193 0.8689 0.8689 0.9304 0.9304 1.1074 1.1074 2.9979 2.9979 3.1260 3.1260 4.5721 4.5721 4.9773 4.9773 5.7980 5.7980 6.4608 6.4608 7.2947 7.2947 8.7895 8.7895 11.1310 11.1310 11.5911 11.5911 k =-0.3400 0.3058 0.0000 ( 3279 PWs) bands (ev): -3.8800 -3.8800 -3.0061 -3.0061 0.3996 0.3996 0.4619 0.4619 0.4904 0.4904 0.6311 0.6311 0.7060 0.7060 0.8086 0.8086 0.8200 0.8200 0.8718 0.8718 0.9328 0.9328 1.1065 1.1065 2.9256 2.9256 3.0760 3.0760 4.6328 4.6328 5.0064 5.0064 5.7542 5.7542 6.4342 6.4342 7.2384 7.2384 8.6456 8.6456 10.9788 10.9788 11.7793 11.7793 k =-0.3500 0.3148 0.0000 ( 3275 PWs) bands (ev): -3.8348 -3.8348 -3.0227 -3.0227 0.4041 0.4041 0.4618 0.4618 0.4931 0.4931 0.6345 0.6345 0.7082 0.7082 0.8093 0.8093 0.8208 0.8208 0.8752 0.8752 0.9351 0.9351 1.1057 1.1057 2.8496 2.8496 3.0303 3.0303 4.6916 4.6916 5.0449 5.0449 5.7126 5.7126 6.4088 6.4088 7.1832 7.1832 8.5019 8.5019 10.8308 10.8308 11.9740 11.9740 k =-0.3600 0.3237 0.0000 ( 3275 PWs) bands (ev): -3.7903 -3.7903 -3.0393 -3.0393 0.4088 0.4088 0.4616 0.4616 0.4962 0.4962 0.6378 0.6378 0.7108 0.7108 0.8099 0.8099 0.8216 0.8216 0.8789 0.8789 0.9375 0.9375 1.1049 1.1049 2.7713 2.7713 2.9883 2.9883 4.7489 4.7489 5.0915 5.0915 5.6734 5.6734 6.3847 6.3847 7.1292 7.1292 8.3597 8.3597 10.6877 10.6877 12.1664 12.1664 k =-0.3700 0.3327 0.0000 ( 3281 PWs) bands (ev): -3.7466 -3.7466 -3.0559 -3.0559 0.4136 0.4136 0.4615 0.4615 0.4997 0.4997 0.6410 0.6410 0.7141 0.7141 0.8103 0.8103 0.8224 0.8224 0.8830 0.8830 0.9399 0.9399 1.1041 1.1041 2.6922 2.6922 2.9495 2.9495 4.8050 4.8050 5.1446 5.1446 5.6367 5.6367 6.3618 6.3618 7.0764 7.0764 8.2200 8.2200 10.5500 10.5500 12.1372 12.1372 k =-0.3800 0.3417 0.0000 ( 3285 PWs) bands (ev): -3.7038 -3.7038 -3.0727 -3.0727 0.4182 0.4182 0.4614 0.4614 0.5038 0.5038 0.6439 0.6439 0.7179 0.7179 0.8106 0.8106 0.8232 0.8232 0.8874 0.8874 0.9423 0.9423 1.1033 1.1033 2.6135 2.6135 2.9136 2.9136 4.8608 4.8608 5.2024 5.2024 5.6027 5.6027 6.3403 6.3403 7.0248 7.0248 8.0841 8.0841 10.4183 10.4183 12.1062 12.1062 k =-0.3900 0.3507 0.0000 ( 3289 PWs) bands (ev): -3.6621 -3.6621 -3.0895 -3.0895 0.4226 0.4226 0.4613 0.4613 0.5084 0.5084 0.6465 0.6465 0.7223 0.7223 0.8107 0.8107 0.8239 0.8239 0.8923 0.8923 0.9446 0.9446 1.1024 1.1024 2.5362 2.5362 2.8804 2.8804 4.9164 4.9164 5.2634 5.2634 5.5718 5.5718 6.3201 6.3201 6.9739 6.9739 7.9531 7.9531 10.2932 10.2932 12.0777 12.0777 k =-0.4000 0.3597 0.0000 ( 3285 PWs) bands (ev): -3.6217 -3.6217 -3.1064 -3.1064 0.4266 0.4266 0.4613 0.4613 0.5134 0.5134 0.6488 0.6488 0.7273 0.7273 0.8108 0.8108 0.8245 0.8245 0.8976 0.8976 0.9470 0.9470 1.1014 1.1014 2.4613 2.4613 2.8501 2.8501 4.9720 4.9720 5.3258 5.3258 5.5445 5.5445 6.3014 6.3014 6.9233 6.9233 7.8283 7.8283 10.1753 10.1753 12.0517 12.0517 k =-0.4100 0.3687 0.0000 ( 3289 PWs) bands (ev): -3.5826 -3.5826 -3.1236 -3.1236 0.4301 0.4301 0.4613 0.4613 0.5188 0.5188 0.6508 0.6508 0.7327 0.7327 0.8107 0.8107 0.8251 0.8251 0.9033 0.9033 0.9492 0.9492 1.1003 1.1003 2.3896 2.3896 2.8224 2.8224 5.0272 5.0272 5.3870 5.3870 5.5226 5.5226 6.2841 6.2841 6.8724 6.8724 7.7111 7.7111 10.0653 10.0653 12.0282 12.0282 k =-0.4200 0.3777 0.0000 ( 3293 PWs) bands (ev): -3.5450 -3.5450 -3.1410 -3.1410 0.4331 0.4331 0.4614 0.4614 0.5245 0.5245 0.6524 0.6524 0.7384 0.7384 0.8106 0.8106 0.8256 0.8256 0.9094 0.9094 0.9515 0.9515 1.0990 1.0990 2.3221 2.3221 2.7975 2.7975 5.0814 5.0814 5.4387 5.4387 5.5138 5.5138 6.2683 6.2683 6.8203 6.8203 7.6031 7.6031 9.9638 9.9638 12.0071 12.0071 k =-0.4300 0.3867 0.0000 ( 3289 PWs) bands (ev): -3.5090 -3.5090 -3.1587 -3.1587 0.4356 0.4356 0.4616 0.4616 0.5303 0.5303 0.6538 0.6538 0.7444 0.7444 0.8103 0.8103 0.8260 0.8260 0.9157 0.9157 0.9537 0.9537 1.0974 1.0974 2.2594 2.2594 2.7754 2.7754 5.1334 5.1334 5.4548 5.4548 5.5438 5.5438 6.2538 6.2538 6.7664 6.7664 7.5060 7.5060 9.8718 9.8718 11.9885 11.9885 k =-0.4400 0.3957 0.0000 ( 3295 PWs) bands (ev): -3.4746 -3.4746 -3.1769 -3.1769 0.4376 0.4376 0.4617 0.4617 0.5358 0.5358 0.6548 0.6548 0.7503 0.7503 0.8098 0.8098 0.8262 0.8262 0.9221 0.9221 0.9560 0.9560 1.0957 1.0957 2.2027 2.2027 2.7562 2.7562 5.1815 5.1815 5.4485 5.4485 5.5997 5.5997 6.2407 6.2407 6.7103 6.7103 7.4210 7.4210 9.7898 9.7898 11.9724 11.9724 k =-0.4500 0.4047 0.0000 ( 3287 PWs) bands (ev): -3.4419 -3.4419 -3.1956 -3.1956 0.4392 0.4392 0.4618 0.4618 0.5410 0.5410 0.6557 0.6557 0.7560 0.7560 0.8093 0.8093 0.8265 0.8265 0.9283 0.9283 0.9585 0.9585 1.0938 1.0938 2.1526 2.1526 2.7398 2.7398 5.2236 5.2236 5.4416 5.4416 5.6595 5.6595 6.2288 6.2288 6.6526 6.6526 7.3495 7.3495 9.7187 9.7187 11.9587 11.9587 k =-0.4600 0.4137 0.0000 ( 3283 PWs) bands (ev): -3.4108 -3.4108 -3.2150 -3.2150 0.4403 0.4403 0.4620 0.4620 0.5455 0.5455 0.6563 0.6563 0.7611 0.7611 0.8087 0.8087 0.8266 0.8266 0.9339 0.9339 0.9611 0.9611 1.0918 1.0918 2.1101 2.1101 2.7263 2.7263 5.2574 5.2574 5.4387 5.4387 5.7182 5.7182 6.2178 6.2178 6.5949 6.5949 7.2919 7.2919 9.6593 9.6593 11.9476 11.9476 k =-0.4700 0.4227 0.0000 ( 3276 PWs) bands (ev): -3.3815 -3.3815 -3.2352 -3.2352 0.4412 0.4412 0.4622 0.4622 0.5493 0.5493 0.6568 0.6568 0.7656 0.7656 0.8080 0.8080 0.8268 0.8268 0.9384 0.9384 0.9638 0.9638 1.0898 1.0898 2.0760 2.0760 2.7158 2.7158 5.2813 5.2813 5.4407 5.4407 5.7730 5.7730 6.2075 6.2075 6.5404 6.5404 7.2481 7.2481 9.6123 9.6123 11.9389 11.9389 k =-0.4800 0.4317 0.0000 ( 3292 PWs) bands (ev): -3.3538 -3.3538 -3.2562 -3.2562 0.4417 0.4417 0.4622 0.4622 0.5520 0.5520 0.6571 0.6571 0.7691 0.7691 0.8073 0.8073 0.8268 0.8268 0.9416 0.9416 0.9664 0.9664 1.0881 1.0881 2.0510 2.0510 2.7083 2.7083 5.2958 5.2958 5.4458 5.4458 5.8201 5.8201 6.1980 6.1980 6.4944 6.4944 7.2176 7.2176 9.5782 9.5782 11.9327 11.9327 k =-0.4900 0.4407 0.0000 ( 3292 PWs) bands (ev): -3.3280 -3.3280 -3.2780 -3.2780 0.4421 0.4421 0.4623 0.4623 0.5537 0.5537 0.6572 0.6572 0.7713 0.7713 0.8068 0.8068 0.8268 0.8268 0.9435 0.9435 0.9683 0.9683 1.0869 1.0869 2.0357 2.0357 2.7038 2.7038 5.3031 5.3031 5.4509 5.4509 5.8533 5.8533 6.1904 6.1904 6.4630 6.4630 7.1996 7.1996 9.5576 9.5576 11.9290 11.9290 k =-0.5000 0.4496 0.0000 ( 3292 PWs) bands (ev): -3.3089 -3.3089 -3.2958 -3.2958 0.4422 0.4422 0.4623 0.4623 0.5543 0.5543 0.6573 0.6573 0.7720 0.7720 0.8067 0.8067 0.8268 0.8268 0.9441 0.9441 0.9691 0.9691 1.0865 1.0865 2.0306 2.0306 2.7023 2.7023 5.3052 5.3052 5.4529 5.4529 5.8655 5.8655 6.1873 6.1873 6.4518 6.4518 7.1937 7.1937 9.5507 9.5507 11.9278 11.9278 k =-0.5000 0.4496 0.0000 ( 3292 PWs) bands (ev): -3.3089 -3.3089 -3.2958 -3.2958 0.4422 0.4422 0.4623 0.4623 0.5543 0.5543 0.6573 0.6573 0.7720 0.7720 0.8067 0.8067 0.8268 0.8268 0.9441 0.9441 0.9691 0.9691 1.0865 1.0865 2.0306 2.0306 2.7023 2.7023 5.3052 5.3052 5.4529 5.4529 5.8655 5.8655 6.1873 6.1873 6.4518 6.4518 7.1937 7.1937 9.5507 9.5507 11.9278 11.9278 k =-0.4920 0.4585-0.0000 ( 3300 PWs) bands (ev): -3.3083 -3.3083 -3.2969 -3.2969 0.4421 0.4421 0.4623 0.4623 0.5541 0.5541 0.6569 0.6569 0.7720 0.7720 0.8066 0.8066 0.8268 0.8268 0.9439 0.9439 0.9689 0.9689 1.0850 1.0850 2.0269 2.0269 2.7109 2.7109 5.3022 5.3022 5.4531 5.4531 5.8612 5.8612 6.1832 6.1832 6.4528 6.4528 7.2089 7.2089 9.5512 9.5512 11.9325 11.9325 k =-0.4841 0.4674-0.0000 ( 3296 PWs) bands (ev): -3.3067 -3.3067 -3.3002 -3.3002 0.4421 0.4421 0.4624 0.4624 0.5538 0.5538 0.6560 0.6560 0.7720 0.7720 0.8066 0.8066 0.8268 0.8268 0.9434 0.9434 0.9686 0.9686 1.0810 1.0810 2.0165 2.0165 2.7361 2.7361 5.2934 5.2934 5.4537 5.4537 5.8479 5.8479 6.1722 6.1722 6.4564 6.4564 7.2527 7.2527 9.5527 9.5527 11.9469 11.9469 k =-0.4761 0.4762-0.0000 ( 3292 PWs) bands (ev): -3.3059 -3.3059 -3.3040 -3.3040 0.4419 0.4419 0.4625 0.4625 0.5532 0.5532 0.6544 0.6544 0.7721 0.7721 0.8065 0.8065 0.8268 0.8268 0.9425 0.9425 0.9682 0.9682 1.0744 1.0744 2.0012 2.0012 2.7758 2.7758 5.2787 5.2787 5.4540 5.4540 5.8254 5.8254 6.1584 6.1584 6.4640 6.4640 7.3207 7.3207 9.5553 9.5553 11.9707 11.9707 k =-0.4681 0.4851-0.0000 ( 3286 PWs) bands (ev): -3.3136 -3.3136 -3.3003 -3.3003 0.4417 0.4417 0.4627 0.4627 0.5524 0.5524 0.6522 0.6522 0.7721 0.7721 0.8063 0.8063 0.8268 0.8268 0.9413 0.9413 0.9675 0.9675 1.0654 1.0654 1.9833 1.9833 2.8277 2.8277 5.2582 5.2582 5.4532 5.4532 5.7946 5.7946 6.1459 6.1459 6.4765 6.4765 7.4078 7.4078 9.5590 9.5590 12.0038 12.0038 k =-0.4602 0.4940-0.0000 ( 3290 PWs) bands (ev): -3.3236 -3.3236 -3.2954 -3.2954 0.4415 0.4415 0.4628 0.4628 0.5512 0.5512 0.6493 0.6493 0.7721 0.7721 0.8061 0.8061 0.8267 0.8267 0.9397 0.9397 0.9666 0.9666 1.0544 1.0544 1.9648 1.9648 2.8894 2.8894 5.2319 5.2319 5.4496 5.4496 5.7584 5.7584 6.1374 6.1374 6.4943 6.4943 7.5096 7.5096 9.5639 9.5639 12.0459 12.0459 k =-0.4522 0.5028-0.0000 ( 3286 PWs) bands (ev): -3.3357 -3.3357 -3.2896 -3.2896 0.4413 0.4413 0.4631 0.4631 0.5499 0.5499 0.6456 0.6456 0.7721 0.7721 0.8059 0.8059 0.8266 0.8266 0.9377 0.9377 0.9656 0.9656 1.0416 1.0416 1.9472 1.9472 2.9588 2.9588 5.1998 5.1998 5.4410 5.4410 5.7217 5.7217 6.1340 6.1340 6.5174 6.5174 7.6226 7.6226 9.5703 9.5703 12.0969 12.0969 k =-0.4522 0.5028-0.0000 ( 3286 PWs) bands (ev): -3.3357 -3.3357 -3.2896 -3.2896 0.4413 0.4413 0.4631 0.4631 0.5499 0.5499 0.6456 0.6456 0.7721 0.7721 0.8059 0.8059 0.8266 0.8266 0.9377 0.9377 0.9656 0.9656 1.0416 1.0416 1.9472 1.9472 2.9588 2.9588 5.1998 5.1998 5.4410 5.4410 5.7217 5.7217 6.1340 6.1340 6.5174 6.5174 7.6226 7.6226 9.5703 9.5703 12.0969 12.0969 k =-0.4522 0.5028 0.0134 ( 3286 PWs) bands (ev): -3.3353 -3.3353 -3.2893 -3.2893 0.4410 0.4410 0.4631 0.4631 0.5499 0.5499 0.6455 0.6455 0.7716 0.7716 0.8059 0.8059 0.8272 0.8272 0.9376 0.9376 0.9656 0.9656 1.0419 1.0419 1.9484 1.9484 2.9598 2.9598 5.1690 5.1690 5.4425 5.4425 5.7242 5.7242 6.1231 6.1231 6.5466 6.5466 7.6252 7.6252 9.5814 9.5814 12.1032 12.1032 k =-0.4522 0.5028 0.0268 ( 3284 PWs) bands (ev): -3.3342 -3.3342 -3.2883 -3.2883 0.4405 0.4405 0.4633 0.4633 0.5498 0.5498 0.6454 0.6454 0.7704 0.7704 0.8056 0.8056 0.8291 0.8291 0.9374 0.9374 0.9659 0.9659 1.0427 1.0427 1.9521 1.9521 2.9629 2.9629 5.0951 5.0951 5.4240 5.4240 5.7404 5.7404 6.0963 6.0963 6.6242 6.6242 7.6334 7.6334 9.6143 9.6143 12.1220 12.1220 k =-0.4522 0.5028 0.0401 ( 3284 PWs) bands (ev): -3.3323 -3.3323 -3.2867 -3.2867 0.4395 0.4395 0.4635 0.4635 0.5497 0.5497 0.6451 0.6451 0.7685 0.7685 0.8052 0.8052 0.8319 0.8319 0.9370 0.9370 0.9663 0.9663 1.0440 1.0440 1.9581 1.9581 2.9679 2.9679 5.0011 5.0011 5.3680 5.3680 5.7723 5.7723 6.0622 6.0622 6.7334 6.7334 7.6489 7.6489 9.6679 9.6679 12.1532 12.1532 k =-0.4522 0.5028 0.0535 ( 3286 PWs) bands (ev): -3.3296 -3.3296 -3.2844 -3.2844 0.4381 0.4381 0.4638 0.4638 0.5495 0.5495 0.6446 0.6446 0.7662 0.7662 0.8047 0.8047 0.8353 0.8353 0.9365 0.9365 0.9668 0.9668 1.0459 1.0459 1.9666 1.9666 2.9749 2.9749 4.8979 4.8979 5.2847 5.2847 5.8019 5.8019 6.0290 6.0290 6.8625 6.8625 7.6741 7.6741 9.7407 9.7407 12.1965 12.1965 k =-0.4522 0.5028 0.0669 ( 3290 PWs) bands (ev): -3.3262 -3.3262 -3.2815 -3.2815 0.4364 0.4364 0.4641 0.4641 0.5494 0.5494 0.6441 0.6441 0.7638 0.7638 0.8040 0.8040 0.8391 0.8391 0.9359 0.9359 0.9676 0.9676 1.0483 1.0483 1.9776 1.9776 2.9838 2.9838 4.7906 4.7906 5.1871 5.1871 5.8062 5.8062 6.0084 6.0084 7.0047 7.0047 7.7114 7.7114 9.8305 9.8305 12.2513 12.2513 k =-0.4522 0.5028 0.0803 ( 3291 PWs) bands (ev): -3.3222 -3.3222 -3.2781 -3.2781 0.4343 0.4343 0.4645 0.4645 0.5495 0.5495 0.6435 0.6435 0.7613 0.7613 0.8032 0.8032 0.8430 0.8430 0.9353 0.9353 0.9686 0.9686 1.0511 1.0511 1.9910 1.9910 2.9944 2.9944 4.6818 4.6818 5.0830 5.0830 5.7732 5.7732 6.0062 6.0062 7.1561 7.1561 7.7632 7.7632 9.9355 9.9355 12.3172 12.3172 k =-0.4522 0.5028 0.0937 ( 3293 PWs) bands (ev): -3.3174 -3.3174 -3.2741 -3.2741 0.4319 0.4319 0.4648 0.4648 0.5497 0.5497 0.6427 0.6427 0.7589 0.7589 0.8023 0.8023 0.8467 0.8467 0.9346 0.9346 0.9698 0.9698 1.0544 1.0544 2.0070 2.0070 3.0065 3.0065 4.5729 4.5729 4.9767 4.9767 5.7120 5.7120 6.0104 6.0104 7.3145 7.3145 7.8308 7.8308 10.0538 10.0538 12.3937 12.3937 k =-0.4522 0.5028 0.1070 ( 3298 PWs) bands (ev): -3.3121 -3.3121 -3.2696 -3.2696 0.4291 0.4291 0.4651 0.4651 0.5501 0.5501 0.6418 0.6418 0.7567 0.7567 0.8012 0.8012 0.8502 0.8502 0.9340 0.9340 0.9713 0.9713 1.0580 1.0580 2.0256 2.0256 3.0201 3.0201 4.4651 4.4651 4.8710 4.8710 5.6347 5.6347 6.0089 6.0089 7.4782 7.4782 7.9146 7.9146 10.1835 10.1835 12.4799 12.4799 k =-0.4522 0.5028 0.1204 ( 3293 PWs) bands (ev): -3.3062 -3.3062 -3.2646 -3.2646 0.4262 0.4262 0.4653 0.4653 0.5509 0.5509 0.6409 0.6409 0.7547 0.7547 0.8001 0.8001 0.8533 0.8533 0.9334 0.9334 0.9730 0.9730 1.0620 1.0620 2.0469 2.0469 3.0348 3.0348 4.3592 4.3592 4.7676 4.7676 5.5474 5.5474 5.9968 5.9968 7.6462 7.6462 8.0140 8.0140 10.3230 10.3230 12.5754 12.5754 k =-0.4522 0.5028 0.1338 ( 3293 PWs) bands (ev): -3.2997 -3.2997 -3.2592 -3.2592 0.4231 0.4231 0.4653 0.4653 0.5519 0.5519 0.6398 0.6398 0.7529 0.7529 0.7989 0.7989 0.8559 0.8559 0.9328 0.9328 0.9749 0.9749 1.0662 1.0662 2.0708 2.0708 3.0504 3.0504 4.2558 4.2558 4.6678 4.6678 5.4531 5.4531 5.9731 5.9731 7.8177 7.8177 8.1277 8.1277 10.4709 10.4709 12.6795 12.6795 k =-0.4522 0.5028 0.1472 ( 3289 PWs) bands (ev): -3.2928 -3.2928 -3.2534 -3.2534 0.4198 0.4198 0.4651 0.4651 0.5532 0.5532 0.6385 0.6385 0.7513 0.7513 0.7975 0.7975 0.8581 0.8581 0.9324 0.9324 0.9771 0.9771 1.0705 1.0705 2.0974 2.0974 3.0665 3.0665 4.1552 4.1552 4.5726 4.5726 5.3539 5.3539 5.9387 5.9387 7.9921 7.9921 8.2539 8.2539 10.6261 10.6261 12.7914 12.7914 k =-0.4522 0.5028 0.1606 ( 3285 PWs) bands (ev): -3.2854 -3.2854 -3.2473 -3.2473 0.4165 0.4165 0.4647 0.4647 0.5548 0.5548 0.6372 0.6372 0.7500 0.7500 0.7961 0.7961 0.8599 0.8599 0.9319 0.9319 0.9795 0.9795 1.0749 1.0749 2.1268 2.1268 3.0825 3.0825 4.0580 4.0580 4.4830 4.4830 5.2510 5.2510 5.8948 5.8948 8.1688 8.1688 8.3908 8.3908 10.7874 10.7874 12.9104 12.9104 k =-0.4522 0.5028 0.1739 ( 3295 PWs) bands (ev): -3.2777 -3.2777 -3.2410 -3.2410 0.4131 0.4131 0.4641 0.4641 0.5567 0.5567 0.6357 0.6357 0.7489 0.7489 0.7947 0.7947 0.8612 0.8612 0.9315 0.9315 0.9822 0.9822 1.0792 1.0792 2.1590 2.1590 3.0980 3.0980 3.9645 3.9645 4.3997 4.3997 5.1457 5.1457 5.8429 5.8429 8.3473 8.3473 8.5364 8.5364 10.9539 10.9539 13.0361 13.0361 k =-0.4522 0.5028 0.1873 ( 3293 PWs) bands (ev): -3.2698 -3.2698 -3.2345 -3.2345 0.4099 0.4099 0.4631 0.4631 0.5589 0.5589 0.6341 0.6341 0.7480 0.7480 0.7932 0.7932 0.8623 0.8623 0.9311 0.9311 0.9850 0.9850 1.0834 1.0834 2.1940 2.1940 3.1123 3.1123 3.8749 3.8749 4.3239 4.3239 5.0387 5.0387 5.7844 5.7844 8.5271 8.5271 8.6892 8.6892 11.1248 11.1248 13.1675 13.1675 k =-0.4522 0.5028 0.2007 ( 3293 PWs) bands (ev): -3.2616 -3.2616 -3.2278 -3.2278 0.4067 0.4067 0.4619 0.4619 0.5612 0.5612 0.6324 0.6324 0.7475 0.7475 0.7917 0.7917 0.8631 0.8631 0.9307 0.9307 0.9881 0.9881 1.0874 1.0874 2.2319 2.2319 3.1246 3.1246 3.7896 3.7896 4.2562 4.2562 4.9309 4.9309 5.7206 5.7206 8.7077 8.7077 8.8476 8.8476 11.2991 11.2991 13.3043 13.3043 k =-0.4522 0.5028 0.2141 ( 3293 PWs) bands (ev): -3.2533 -3.2533 -3.2212 -3.2212 0.4038 0.4038 0.4604 0.4604 0.5638 0.5638 0.6306 0.6306 0.7471 0.7471 0.7902 0.7902 0.8639 0.8639 0.9302 0.9302 0.9914 0.9914 1.0909 1.0909 2.2726 2.2726 3.1341 3.1341 3.7087 3.7087 4.1976 4.1976 4.8229 4.8229 5.6526 5.6526 8.8884 8.8884 9.0103 9.0103 11.4762 11.4762 13.4456 13.4456 k =-0.4522 0.5028 0.2275 ( 3290 PWs) bands (ev): -3.2449 -3.2449 -3.2145 -3.2145 0.4011 0.4011 0.4585 0.4585 0.5664 0.5664 0.6286 0.6286 0.7471 0.7471 0.7887 0.7887 0.8647 0.8647 0.9295 0.9295 0.9949 0.9949 1.0940 1.0940 2.3162 2.3162 3.1399 3.1399 3.6325 3.6325 4.1488 4.1488 4.7156 4.7156 5.5812 5.5812 9.0688 9.0688 9.1758 9.1758 11.6553 11.6553 13.5908 13.5908 k =-0.4522 0.5028 0.2408 ( 3288 PWs) bands (ev): -3.2366 -3.2366 -3.2080 -3.2080 0.3988 0.3988 0.4564 0.4564 0.5691 0.5691 0.6266 0.6266 0.7472 0.7472 0.7872 0.7872 0.8656 0.8656 0.9287 0.9287 0.9987 0.9987 1.0965 1.0965 2.3625 2.3625 3.1415 3.1415 3.5611 3.5611 4.1102 4.1102 4.6097 4.6097 5.5073 5.5073 9.2480 9.2480 9.3430 9.3430 11.8356 11.8356 13.7394 13.7394 k =-0.4522 0.5028 0.2542 ( 3283 PWs) bands (ev): -3.2284 -3.2284 -3.2017 -3.2017 0.3968 0.3968 0.4539 0.4539 0.5718 0.5718 0.6245 0.6245 0.7476 0.7476 0.7858 0.7858 0.8666 0.8666 0.9277 0.9277 1.0027 1.0027 1.0984 1.0984 2.4117 2.4117 3.1383 3.1383 3.4949 3.4949 4.0814 4.0814 4.5064 4.5064 5.4316 5.4316 9.4253 9.4253 9.5105 9.5105 12.0164 12.0164 13.8904 13.8904 k =-0.4522 0.5028 0.2676 ( 3279 PWs) bands (ev): -3.2204 -3.2204 -3.1956 -3.1956 0.3952 0.3952 0.4512 0.4512 0.5744 0.5744 0.6223 0.6223 0.7482 0.7482 0.7844 0.7844 0.8679 0.8679 0.9266 0.9266 1.0070 1.0070 1.0996 1.0996 2.4635 2.4635 3.1305 3.1305 3.4339 3.4339 4.0607 4.0607 4.4079 4.4079 5.3546 5.3546 9.5998 9.5998 9.6770 9.6770 12.1967 12.1967 14.0431 14.0431 k =-0.4522 0.5028 0.2810 ( 3279 PWs) bands (ev): -3.2126 -3.2126 -3.1898 -3.1898 0.3941 0.3941 0.4481 0.4481 0.5770 0.5770 0.6200 0.6200 0.7490 0.7490 0.7831 0.7831 0.8694 0.8694 0.9252 0.9252 1.0115 1.0115 1.1002 1.1002 2.5180 2.5180 3.1185 3.1185 3.3783 3.3783 4.0436 4.0436 4.3186 4.3186 5.2768 5.2768 9.7704 9.7704 9.8409 9.8409 12.3757 12.3757 14.1963 14.1963 k =-0.4522 0.5028 0.2944 ( 3285 PWs) bands (ev): -3.2052 -3.2052 -3.1845 -3.1845 0.3934 0.3934 0.4447 0.4447 0.5794 0.5794 0.6177 0.6177 0.7499 0.7499 0.7818 0.7818 0.8712 0.8712 0.9235 0.9235 1.0162 1.0162 1.1000 1.1000 2.5747 2.5747 3.1033 3.1033 3.3284 3.3284 4.0193 4.0193 4.2486 4.2486 5.1986 5.1986 9.9358 9.9358 10.0005 10.0005 12.5524 12.5524 14.3483 14.3483 k =-0.4522 0.5028 0.3077 ( 3291 PWs) bands (ev): -3.1982 -3.1982 -3.1797 -3.1797 0.3932 0.3932 0.4411 0.4411 0.5818 0.5818 0.6154 0.6154 0.7509 0.7509 0.7805 0.7805 0.8734 0.8734 0.9216 0.9216 1.0211 1.0211 1.0991 1.0991 2.6336 2.6336 3.0858 3.0858 3.2845 3.2845 3.9726 3.9726 4.2126 4.2126 5.1206 5.1206 10.0944 10.0944 10.1539 10.1539 12.7257 12.7257 14.4947 14.4947 k =-0.4522 0.5028 0.3211 ( 3290 PWs) bands (ev): -3.1917 -3.1917 -3.1754 -3.1754 0.3936 0.3936 0.4373 0.4373 0.5840 0.5840 0.6131 0.6131 0.7519 0.7519 0.7792 0.7792 0.8759 0.8759 0.9195 0.9195 1.0263 1.0263 1.0974 1.0974 2.6941 2.6941 3.0673 3.0673 3.2469 3.2469 3.9015 3.9015 4.2114 4.2114 5.0430 5.0430 10.2443 10.2443 10.2989 10.2989 12.8948 12.8948 14.6172 14.6172 k =-0.4522 0.5028 0.3345 ( 3292 PWs) bands (ev): -3.1857 -3.1857 -3.1717 -3.1717 0.3944 0.3944 0.4333 0.4333 0.5862 0.5862 0.6108 0.6108 0.7530 0.7530 0.7781 0.7781 0.8786 0.8786 0.9172 0.9172 1.0316 1.0316 1.0951 1.0951 2.7555 2.7555 3.0490 3.0490 3.2163 3.2163 3.8178 3.8178 4.2325 4.2325 4.9661 4.9661 10.3835 10.3835 10.4330 10.4330 13.0586 13.0586 14.6420 14.6420 k =-0.4522 0.5028 0.3479 ( 3293 PWs) bands (ev): -3.1804 -3.1804 -3.1686 -3.1686 0.3957 0.3957 0.4292 0.4292 0.5883 0.5883 0.6086 0.6086 0.7541 0.7541 0.7770 0.7770 0.8816 0.8816 0.9146 0.9146 1.0370 1.0370 1.0923 1.0923 2.8162 2.8162 3.0319 3.0319 3.1940 3.1940 3.7298 3.7298 4.2668 4.2668 4.8904 4.8904 10.5094 10.5094 10.5533 10.5533 13.2165 13.2165 14.5685 14.5685 k =-0.4522 0.5028 0.3613 ( 3293 PWs) bands (ev): -3.1758 -3.1758 -3.1663 -3.1663 0.3976 0.3976 0.4251 0.4251 0.5903 0.5903 0.6064 0.6064 0.7551 0.7551 0.7760 0.7760 0.8849 0.8849 0.9118 0.9118 1.0425 1.0425 1.0889 1.0889 2.8737 2.8737 3.0169 3.0169 3.1824 3.1824 3.6413 3.6413 4.3098 4.3098 4.8161 4.8161 10.6192 10.6192 10.6569 10.6569 13.3680 13.3680 14.4577 14.4577 k =-0.4522 0.5028 0.3746 ( 3296 PWs) bands (ev): -3.1718 -3.1718 -3.1647 -3.1647 0.3998 0.3998 0.4210 0.4210 0.5922 0.5922 0.6043 0.6043 0.7560 0.7560 0.7752 0.7752 0.8882 0.8882 0.9089 0.9089 1.0478 1.0478 1.0851 1.0851 2.9232 2.9232 3.0047 3.0047 3.1856 3.1856 3.5545 3.5545 4.3593 4.3593 4.7435 4.7435 10.7100 10.7100 10.7405 10.7405 13.5135 13.5135 14.3310 14.3310 k =-0.4522 0.5028 0.3880 ( 3300 PWs) bands (ev): -3.1686 -3.1686 -3.1639 -3.1639 0.4025 0.4025 0.4169 0.4169 0.5941 0.5941 0.6022 0.6022 0.7566 0.7566 0.7746 0.7746 0.8917 0.8917 0.9057 0.9057 1.0528 1.0528 1.0812 1.0812 2.9587 2.9587 2.9959 2.9959 3.2086 3.2086 3.4709 3.4709 4.4137 4.4137 4.6731 4.6731 10.7789 10.7789 10.8015 10.8015 13.6538 13.6538 14.1981 14.1981 k =-0.4522 0.5028 0.4014 ( 3301 PWs) bands (ev): -3.1662 -3.1662 -3.1638 -3.1638 0.4055 0.4055 0.4131 0.4131 0.5960 0.5960 0.6002 0.6002 0.7571 0.7571 0.7741 0.7741 0.8951 0.8951 0.9025 0.9025 1.0568 1.0568 1.0779 1.0779 2.9770 2.9770 2.9915 2.9915 3.2522 3.2522 3.3928 3.3928 4.4714 4.4714 4.6060 4.6060 10.8227 10.8227 10.8377 10.8377 13.7900 13.7900 14.0642 14.0642 k =-0.4522 0.5028 0.4148 ( 3298 PWs) bands (ev): -3.1648 -3.1648 -3.1645 -3.1645 0.4079 0.4079 0.4105 0.4105 0.5974 0.5974 0.5988 0.5988 0.7572 0.7572 0.7740 0.7740 0.8975 0.8975 0.9002 0.9002 1.0585 1.0585 1.0765 1.0765 2.9811 2.9811 2.9914 2.9914 3.2966 3.2966 3.3375 3.3375 4.5174 4.5174 4.5570 4.5570 10.8382 10.8382 10.8493 10.8493 13.9044 13.9044 13.9501 13.9501 k =-0.4522 0.5028 0.4148 ( 3298 PWs) bands (ev): -3.1648 -3.1648 -3.1645 -3.1645 0.4079 0.4079 0.4105 0.4105 0.5974 0.5974 0.5988 0.5988 0.7572 0.7572 0.7740 0.7740 0.8975 0.8975 0.9002 0.9002 1.0585 1.0585 1.0765 1.0765 2.9811 2.9811 2.9914 2.9914 3.2966 3.2966 3.3375 3.3375 4.5174 4.5174 4.5570 4.5570 10.8382 10.8382 10.8493 10.8493 13.9044 13.9044 13.9501 13.9501 k =-0.4602 0.4940 0.4148 ( 3302 PWs) bands (ev): -3.1626 -3.1626 -3.1624 -3.1624 0.4083 0.4083 0.4104 0.4104 0.5995 0.5995 0.6010 0.6010 0.7596 0.7596 0.7734 0.7734 0.8984 0.8984 0.9007 0.9007 1.0656 1.0656 1.0809 1.0809 3.0216 3.0216 3.0352 3.0352 3.3074 3.3074 3.3505 3.3505 4.4103 4.4103 4.4472 4.4472 10.8407 10.8407 10.8500 10.8500 13.9598 13.9598 13.9982 13.9982 k =-0.4681 0.4851 0.4148 ( 3294 PWs) bands (ev): -3.1608 -3.1608 -3.1606 -3.1606 0.4087 0.4087 0.4104 0.4104 0.6014 0.6014 0.6028 0.6028 0.7618 0.7618 0.7727 0.7727 0.8993 0.8993 0.9011 0.9011 1.0718 1.0718 1.0843 1.0843 3.0538 3.0538 3.0685 3.0685 3.3300 3.3300 3.3723 3.3723 4.3123 4.3123 4.3460 4.3460 10.8428 10.8428 10.8503 10.8503 14.0091 14.0091 14.0400 14.0400 k =-0.4761 0.4762 0.4148 ( 3294 PWs) bands (ev): -3.1594 -3.1594 -3.1593 -3.1593 0.4090 0.4090 0.4103 0.4103 0.6029 0.6029 0.6041 0.6041 0.7637 0.7637 0.7719 0.7719 0.9000 0.9000 0.9014 0.9014 1.0771 1.0771 1.0866 1.0866 3.0769 3.0769 3.0899 3.0899 3.3630 3.3630 3.4004 3.4004 4.2269 4.2269 4.2559 4.2559 10.8447 10.8447 10.8503 10.8503 14.0507 14.0507 14.0740 14.0740 k =-0.4841 0.4674 0.4148 ( 3296 PWs) bands (ev): -3.1585 -3.1585 -3.1584 -3.1584 0.4093 0.4093 0.4102 0.4102 0.6041 0.6041 0.6049 0.6049 0.7655 0.7655 0.7709 0.7709 0.9006 0.9006 0.9015 0.9015 1.0814 1.0814 1.0878 1.0878 3.0922 3.0922 3.1015 3.1015 3.4002 3.4002 3.4286 3.4286 4.1594 4.1594 4.1815 4.1815 10.8462 10.8462 10.8500 10.8500 14.0830 14.0830 14.0986 14.0986 k =-0.4920 0.4585 0.4148 ( 3292 PWs) bands (ev): -3.1579 -3.1579 -3.1579 -3.1579 0.4096 0.4096 0.4101 0.4101 0.6049 0.6049 0.6053 0.6053 0.7671 0.7671 0.7698 0.7698 0.9010 0.9010 0.9015 0.9015 1.0846 1.0846 1.0878 1.0878 3.1013 3.1013 3.1061 3.1061 3.4324 3.4324 3.4479 3.4479 4.1168 4.1168 4.1291 4.1291 10.8476 10.8476 10.8495 10.8495 14.1046 14.1046 14.1124 14.1124 k =-0.5000 0.4496 0.4148 ( 3292 PWs) bands (ev): -3.1577 -3.1577 -3.1577 -3.1577 0.4098 0.4098 0.4098 0.4098 0.6053 0.6053 0.6053 0.6053 0.7685 0.7685 0.7685 0.7685 0.9013 0.9013 0.9013 0.9013 1.0868 1.0868 1.0868 1.0868 3.1058 3.1058 3.1058 3.1058 3.4500 3.4500 3.4500 3.4500 4.1060 4.1060 4.1060 4.1060 10.8486 10.8486 10.8486 10.8486 14.1145 14.1145 14.1145 14.1145 k =-0.5000 0.4496 0.4148 ( 3292 PWs) bands (ev): -3.1577 -3.1577 -3.1577 -3.1577 0.4098 0.4098 0.4098 0.4098 0.6053 0.6053 0.6053 0.6053 0.7685 0.7685 0.7685 0.7685 0.9013 0.9013 0.9013 0.9013 1.0868 1.0868 1.0868 1.0868 3.1058 3.1058 3.1058 3.1058 3.4500 3.4500 3.4500 3.4500 4.1060 4.1060 4.1060 4.1060 10.8486 10.8486 10.8486 10.8486 14.1145 14.1145 14.1145 14.1145 k =-0.5000 0.4496 0.4014 ( 3294 PWs) bands (ev): -3.1585 -3.1585 -3.1576 -3.1576 0.4063 0.4063 0.4136 0.4136 0.6032 0.6032 0.6075 0.6075 0.7668 0.7668 0.7702 0.7702 0.8978 0.8978 0.9048 0.9048 1.0798 1.0798 1.0936 1.0936 3.0618 3.0618 3.1431 3.1431 3.4148 3.4148 3.4989 3.4989 4.0352 4.0352 4.1798 4.1798 10.8244 10.8244 10.8461 10.8461 13.9735 13.9735 14.2512 14.2512 k =-0.5000 0.4496 0.3880 ( 3292 PWs) bands (ev): -3.1602 -3.1602 -3.1584 -3.1584 0.4032 0.4032 0.4175 0.4175 0.6011 0.6011 0.6097 0.6097 0.7651 0.7651 0.7718 0.7718 0.8942 0.8942 0.9082 0.9082 1.0729 1.0729 1.1001 1.1001 3.0110 3.0110 3.1756 3.1756 3.3939 3.3939 3.5586 3.5586 3.9687 3.9687 4.2560 4.2560 10.7744 10.7744 10.8168 10.8168 13.8274 13.8274 14.3831 14.3831 k =-0.5000 0.4496 0.3746 ( 3294 PWs) bands (ev): -3.1625 -3.1625 -3.1599 -3.1599 0.4005 0.4005 0.4216 0.4216 0.5989 0.5989 0.6119 0.6119 0.7634 0.7634 0.7735 0.7735 0.8908 0.8908 0.9114 0.9114 1.0659 1.0659 1.1063 1.1063 2.9548 2.9548 3.2052 3.2052 3.3863 3.3863 3.6237 3.6237 3.9098 3.9098 4.3341 4.3341 10.7006 10.7006 10.7619 10.7619 13.6754 13.6754 14.5074 14.5074 k =-0.5000 0.4496 0.3613 ( 3294 PWs) bands (ev): -3.1657 -3.1657 -3.1622 -3.1622 0.3981 0.3981 0.4257 0.4257 0.5968 0.5968 0.6142 0.6142 0.7617 0.7617 0.7751 0.7751 0.8874 0.8874 0.9145 0.9145 1.0590 1.0590 1.1120 1.1120 2.8954 2.8954 3.2336 3.2336 3.3901 3.3901 3.6822 3.6822 3.8688 3.8688 4.4138 4.4138 10.6056 10.6056 10.6837 10.6837 13.5169 13.5169 14.6176 14.6176 k =-0.5000 0.4496 0.3479 ( 3298 PWs) bands (ev): -3.1695 -3.1695 -3.1651 -3.1651 0.3962 0.3962 0.4299 0.4299 0.5945 0.5945 0.6165 0.6165 0.7600 0.7600 0.7766 0.7766 0.8842 0.8842 0.9174 0.9174 1.0523 1.0523 1.1172 1.1172 2.8345 2.8345 3.2613 3.2613 3.4033 3.4033 3.7032 3.7032 3.8765 3.8765 4.4949 4.4949 10.4921 10.4921 10.5848 10.5848 13.3516 13.3516 14.6930 14.6930 k =-0.5000 0.4496 0.3345 ( 3290 PWs) bands (ev): -3.1740 -3.1740 -3.1688 -3.1688 0.3948 0.3948 0.4340 0.4340 0.5923 0.5923 0.6189 0.6189 0.7584 0.7584 0.7782 0.7782 0.8812 0.8812 0.9201 0.9201 1.0458 1.0458 1.1219 1.1219 2.7735 2.7735 3.2869 3.2869 3.4245 3.4245 3.6815 3.6815 3.9392 3.9392 4.5772 4.5772 10.3630 10.3630 10.4681 10.4681 13.1800 13.1800 14.6363 14.6363 k =-0.5000 0.4496 0.3211 ( 3290 PWs) bands (ev): -3.1791 -3.1791 -3.1731 -3.1731 0.3939 0.3939 0.4380 0.4380 0.5900 0.5900 0.6213 0.6213 0.7569 0.7569 0.7797 0.7797 0.8785 0.8785 0.9225 0.9225 1.0395 1.0395 1.1258 1.1258 2.7135 2.7135 3.3072 3.3072 3.4525 3.4525 3.6534 3.6534 4.0243 4.0243 4.6604 4.6604 10.2210 10.2210 10.3367 10.3367 13.0030 13.0030 14.4903 14.4903 k =-0.5000 0.4496 0.3077 ( 3286 PWs) bands (ev): -3.1847 -3.1847 -3.1781 -3.1781 0.3935 0.3935 0.4419 0.4419 0.5875 0.5875 0.6237 0.6237 0.7554 0.7554 0.7812 0.7812 0.8761 0.8761 0.9248 0.9248 1.0336 1.0336 1.1290 1.1290 2.6551 2.6551 3.3161 3.3161 3.4868 3.4868 3.6381 3.6381 4.1182 4.1182 4.7444 4.7444 10.0685 10.0685 10.1932 10.1932 12.8214 12.8214 14.3330 14.3330 k =-0.5000 0.4496 0.2944 ( 3288 PWs) bands (ev): -3.1908 -3.1908 -3.1835 -3.1835 0.3936 0.3936 0.4455 0.4455 0.5850 0.5850 0.6261 0.6261 0.7540 0.7540 0.7827 0.7827 0.8740 0.8740 0.9268 0.9268 1.0278 1.0278 1.1314 1.1314 2.5987 2.5987 3.3082 3.3082 3.5274 3.5274 3.6443 3.6443 4.2168 4.2168 4.8290 4.8290 9.9075 9.9075 10.0403 10.0403 12.6365 12.6365 14.1738 14.1738 k =-0.5000 0.4496 0.2810 ( 3286 PWs) bands (ev): -3.1974 -3.1974 -3.1894 -3.1894 0.3942 0.3942 0.4489 0.4489 0.5823 0.5823 0.6286 0.6286 0.7528 0.7528 0.7842 0.7842 0.8722 0.8722 0.9285 0.9285 1.0224 1.0224 1.1330 1.1330 2.5447 2.5447 3.2841 3.2841 3.5747 3.5747 3.6722 3.6722 4.3188 4.3188 4.9139 4.9139 9.7399 9.7399 9.8801 9.8801 12.4492 12.4492 14.0148 14.0148 k =-0.5000 0.4496 0.2676 ( 3286 PWs) bands (ev): -3.2043 -3.2043 -3.1957 -3.1957 0.3953 0.3953 0.4520 0.4520 0.5796 0.5796 0.6310 0.6310 0.7518 0.7518 0.7856 0.7856 0.8707 0.8707 0.9301 0.9301 1.0173 1.0173 1.1338 1.1338 2.4932 2.4932 3.2491 3.2491 3.6286 3.6286 3.7167 3.7167 4.4232 4.4232 4.9988 4.9988 9.5672 9.5672 9.7143 9.7143 12.2605 12.2605 13.8571 13.8571 k =-0.5000 0.4496 0.2542 ( 3294 PWs) bands (ev): -3.2114 -3.2114 -3.2023 -3.2023 0.3968 0.3968 0.4548 0.4548 0.5768 0.5768 0.6333 0.6333 0.7509 0.7509 0.7871 0.7871 0.8695 0.8695 0.9314 0.9314 1.0125 1.0125 1.1337 1.1337 2.4444 2.4444 3.2082 3.2082 3.6887 3.6887 3.7730 3.7730 4.5295 4.5295 5.0837 5.0837 9.3905 9.3905 9.5447 9.5447 12.0714 12.0714 13.7015 13.7015 k =-0.5000 0.4496 0.2408 ( 3294 PWs) bands (ev): -3.2188 -3.2188 -3.2091 -3.2091 0.3987 0.3987 0.4572 0.4572 0.5739 0.5739 0.6356 0.6356 0.7503 0.7503 0.7886 0.7886 0.8685 0.8685 0.9326 0.9326 1.0080 1.0080 1.1329 1.1329 2.3985 2.3985 3.1650 3.1650 3.7546 3.7546 3.8383 3.8383 4.6372 4.6372 5.1682 5.1682 9.2112 9.2112 9.3726 9.3726 11.8826 11.8826 13.5487 13.5487 k =-0.5000 0.4496 0.2275 ( 3306 PWs) bands (ev): -3.2263 -3.2263 -3.2162 -3.2162 0.4010 0.4010 0.4594 0.4594 0.5711 0.5711 0.6378 0.6378 0.7499 0.7499 0.7900 0.7900 0.8676 0.8676 0.9335 0.9335 1.0037 1.0037 1.1314 1.1314 2.3554 2.3554 3.1212 3.1212 3.8258 3.8258 3.9109 3.9109 4.7457 4.7457 5.2520 5.2520 9.0300 9.0300 9.1992 9.1992 11.6949 11.6949 13.3993 13.3993 k =-0.5000 0.4496 0.2141 ( 3306 PWs) bands (ev): -3.2338 -3.2338 -3.2233 -3.2233 0.4036 0.4036 0.4612 0.4612 0.5683 0.5683 0.6399 0.6399 0.7498 0.7498 0.7915 0.7915 0.8668 0.8668 0.9344 0.9344 0.9997 0.9997 1.1293 1.1293 2.3153 2.3153 3.0780 3.0780 3.9019 3.9019 3.9897 3.9897 4.8546 4.8546 5.3349 5.3349 8.8477 8.8477 9.0255 9.0255 11.5090 11.5090 13.2538 13.2538 k =-0.5000 0.4496 0.2007 ( 3302 PWs) bands (ev): -3.2413 -3.2413 -3.2304 -3.2304 0.4065 0.4065 0.4627 0.4627 0.5657 0.5657 0.6419 0.6419 0.7499 0.7499 0.7930 0.7930 0.8660 0.8660 0.9351 0.9351 0.9960 0.9960 1.1265 1.1265 2.2781 2.2781 3.0360 3.0360 3.9827 3.9827 4.0743 4.0743 4.9632 4.9632 5.4166 5.4166 8.6651 8.6651 8.8526 8.8526 11.3257 11.3257 13.1128 13.1128 k =-0.5000 0.4496 0.1873 ( 3302 PWs) bands (ev): -3.2487 -3.2487 -3.2375 -3.2375 0.4096 0.4096 0.4639 0.4639 0.5632 0.5632 0.6438 0.6438 0.7502 0.7502 0.7945 0.7945 0.8651 0.8651 0.9357 0.9357 0.9925 0.9925 1.1234 1.1234 2.2438 2.2438 2.9957 2.9957 4.0679 4.0679 4.1641 4.1641 5.0709 5.0709 5.4966 5.4966 8.4827 8.4827 8.6814 8.6814 11.1456 11.1456 12.9769 12.9769 k =-0.5000 0.4496 0.1739 ( 3298 PWs) bands (ev): -3.2560 -3.2560 -3.2444 -3.2444 0.4129 0.4129 0.4648 0.4648 0.5610 0.5610 0.6456 0.6456 0.7508 0.7508 0.7959 0.7959 0.8639 0.8639 0.9363 0.9363 0.9893 0.9893 1.1198 1.1198 2.2123 2.2123 2.9573 2.9573 4.1570 4.1570 4.2586 4.2586 5.1769 5.1769 5.5748 5.5748 8.3011 8.3011 8.5128 8.5128 10.9695 10.9695 12.8466 12.8466 k =-0.5000 0.4496 0.1606 ( 3292 PWs) bands (ev): -3.2629 -3.2629 -3.2511 -3.2511 0.4162 0.4162 0.4654 0.4654 0.5590 0.5590 0.6473 0.6473 0.7517 0.7517 0.7973 0.7973 0.8624 0.8624 0.9370 0.9370 0.9863 0.9863 1.1161 1.1161 2.1837 2.1837 2.9212 2.9212 4.2499 4.2499 4.3576 4.3576 5.2800 5.2800 5.6508 5.6508 8.1208 8.1208 8.3478 8.3478 10.7981 10.7981 12.7225 12.7225 k =-0.5000 0.4496 0.1472 ( 3298 PWs) bands (ev): -3.2696 -3.2696 -3.2576 -3.2576 0.4196 0.4196 0.4657 0.4657 0.5574 0.5574 0.6488 0.6488 0.7528 0.7528 0.7987 0.7987 0.8604 0.8604 0.9376 0.9376 0.9835 0.9835 1.1122 1.1122 2.1578 2.1578 2.8875 2.8875 4.3462 4.3462 4.4607 4.4607 5.3792 5.3792 5.7243 5.7243 7.9422 7.9422 8.1874 8.1874 10.6322 10.6322 12.6052 12.6052 k =-0.5000 0.4496 0.1338 ( 3302 PWs) bands (ev): -3.2760 -3.2760 -3.2637 -3.2637 0.4229 0.4229 0.4658 0.4658 0.5560 0.5560 0.6502 0.6502 0.7541 0.7541 0.8000 0.8000 0.8580 0.8580 0.9382 0.9382 0.9810 0.9810 1.1083 1.1083 2.1346 2.1346 2.8563 2.8563 4.4453 4.4453 4.5674 4.5674 5.4729 5.4729 5.7949 5.7949 7.7659 7.7659 8.0330 8.0330 10.4728 10.4728 12.4953 12.4953 k =-0.5000 0.4496 0.1204 ( 3306 PWs) bands (ev): -3.2818 -3.2818 -3.2694 -3.2694 0.4261 0.4261 0.4657 0.4657 0.5550 0.5550 0.6515 0.6515 0.7557 0.7557 0.8012 0.8012 0.8550 0.8550 0.9389 0.9389 0.9787 0.9787 1.1046 1.1046 2.1140 2.1140 2.8277 2.8277 4.5468 4.5468 4.6772 4.6772 5.5593 5.5593 5.8623 5.8623 7.5924 7.5924 7.8860 7.8860 10.3210 10.3210 12.3933 12.3933 k =-0.5000 0.4496 0.1070 ( 3302 PWs) bands (ev): -3.2873 -3.2873 -3.2747 -3.2747 0.4291 0.4291 0.4654 0.4654 0.5543 0.5543 0.6527 0.6527 0.7575 0.7575 0.8023 0.8023 0.8517 0.8517 0.9397 0.9397 0.9766 0.9766 1.1010 1.1010 2.0959 2.0959 2.8018 2.8018 4.6500 4.6500 4.7894 4.7894 5.6366 5.6366 5.9260 5.9260 7.4223 7.4223 7.7480 7.7480 10.1779 10.1779 12.2999 12.2999 k =-0.5000 0.4496 0.0937 ( 3296 PWs) bands (ev): -3.2922 -3.2922 -3.2794 -3.2794 0.4320 0.4320 0.4650 0.4650 0.5539 0.5539 0.6537 0.6537 0.7596 0.7596 0.8034 0.8034 0.8480 0.8480 0.9405 0.9405 0.9748 0.9748 1.0978 1.0978 2.0801 2.0801 2.7788 2.7788 4.7541 4.7541 4.9030 4.9030 5.7027 5.7027 5.9853 5.9853 7.2564 7.2564 7.6210 7.6210 10.0450 10.0450 12.2158 12.2158 k =-0.5000 0.4496 0.0803 ( 3300 PWs) bands (ev): -3.2965 -3.2965 -3.2836 -3.2836 0.4345 0.4345 0.4645 0.4645 0.5537 0.5537 0.6546 0.6546 0.7617 0.7617 0.8043 0.8043 0.8439 0.8439 0.9413 0.9413 0.9733 0.9733 1.0948 1.0948 2.0667 2.0667 2.7587 2.7587 4.8580 4.8580 5.0167 5.0167 5.7559 5.7559 6.0392 6.0392 7.0957 7.0957 7.5075 7.5075 9.9240 9.9240 12.1414 12.1414 k =-0.5000 0.4496 0.0669 ( 3300 PWs) bands (ev): -3.3002 -3.3002 -3.2873 -3.2873 0.4368 0.4368 0.4639 0.4639 0.5537 0.5537 0.6554 0.6554 0.7640 0.7640 0.8050 0.8050 0.8398 0.8398 0.9420 0.9420 0.9720 0.9720 1.0923 1.0923 2.0555 2.0555 2.7416 2.7416 4.9601 4.9601 5.1282 5.1282 5.7954 5.7954 6.0864 6.0864 6.9418 6.9418 7.4097 7.4097 9.8165 9.8165 12.0774 12.0774 k =-0.5000 0.4496 0.0535 ( 3292 PWs) bands (ev): -3.3033 -3.3033 -3.2903 -3.2903 0.4387 0.4387 0.4634 0.4634 0.5538 0.5538 0.6561 0.6561 0.7664 0.7664 0.8057 0.8057 0.8359 0.8359 0.9427 0.9427 0.9709 0.9709 1.0902 1.0902 2.0464 2.0464 2.7275 2.7275 5.0583 5.0583 5.2336 5.2336 5.8218 5.8218 6.1254 6.1254 6.7972 6.7972 7.3296 7.3296 9.7246 9.7246 12.0242 12.0242 k =-0.5000 0.4496 0.0401 ( 3296 PWs) bands (ev): -3.3057 -3.3057 -3.2927 -3.2927 0.4402 0.4402 0.4630 0.4630 0.5539 0.5539 0.6566 0.6566 0.7685 0.7685 0.8061 0.8061 0.8323 0.8323 0.9433 0.9433 0.9701 0.9701 1.0886 1.0886 2.0395 2.0395 2.7165 2.7165 5.1491 5.1491 5.3267 5.3267 5.8379 5.8379 6.1551 6.1551 6.6662 6.6662 7.2684 7.2684 9.6503 9.6503 11.9823 11.9823 k =-0.5000 0.4496 0.0268 ( 3292 PWs) bands (ev): -3.3075 -3.3075 -3.2944 -3.2944 0.4413 0.4413 0.4626 0.4626 0.5541 0.5541 0.6570 0.6570 0.7704 0.7704 0.8064 0.8064 0.8294 0.8294 0.9437 0.9437 0.9695 0.9695 1.0874 1.0874 2.0345 2.0345 2.7086 2.7086 5.2273 5.2273 5.3984 5.3984 5.8493 5.8493 6.1748 6.1748 6.5562 6.5562 7.2261 7.2261 9.5956 9.5956 11.9521 11.9521 k =-0.5000 0.4496 0.0134 ( 3296 PWs) bands (ev): -3.3085 -3.3085 -3.2954 -3.2954 0.4420 0.4420 0.4624 0.4624 0.5542 0.5542 0.6572 0.6572 0.7716 0.7716 0.8066 0.8066 0.8275 0.8275 0.9440 0.9440 0.9692 0.9692 1.0867 1.0867 2.0316 2.0316 2.7039 2.7039 5.2837 5.2837 5.4404 5.4404 5.8601 5.8601 6.1848 6.1848 6.4797 6.4797 7.2016 7.2016 9.5620 9.5620 11.9339 11.9339 k =-0.5000 0.4496 0.0000 ( 3292 PWs) bands (ev): -3.3089 -3.3089 -3.2958 -3.2958 0.4422 0.4422 0.4623 0.4623 0.5543 0.5543 0.6573 0.6573 0.7720 0.7720 0.8067 0.8067 0.8268 0.8268 0.9441 0.9441 0.9691 0.9691 1.0865 1.0865 2.0306 2.0306 2.7023 2.7023 5.3052 5.3052 5.4529 5.4529 5.8655 5.8655 6.1873 6.1873 6.4518 6.4518 7.1937 7.1937 9.5507 9.5507 11.9278 11.9278 k = 0.0000 0.0000 0.4148 ( 3268 PWs) bands (ev): -3.9094 -3.9094 -3.9094 -3.9094 0.4325 0.4325 0.4325 0.4325 0.4719 0.4719 0.4719 0.4719 0.7636 0.7636 0.7636 0.7636 0.8549 0.8549 0.8549 0.8549 0.9187 0.9187 0.9187 0.9187 4.1185 4.1185 4.1185 4.1185 5.4768 5.4768 5.4768 5.4768 5.9126 5.9126 5.9126 5.9126 9.9165 9.9165 9.9165 9.9165 11.6169 11.6169 11.6169 11.6169 k =-0.0100 0.0090 0.4148 ( 3272 PWs) bands (ev): -3.9087 -3.9087 -3.9087 -3.9087 0.4325 0.4325 0.4325 0.4325 0.4719 0.4719 0.4719 0.4719 0.7634 0.7634 0.7634 0.7634 0.8549 0.8549 0.8549 0.8549 0.9187 0.9187 0.9187 0.9187 4.1108 4.1108 4.1108 4.1108 5.4803 5.4803 5.4803 5.4803 5.9164 5.9164 5.9164 5.9164 9.9152 9.9152 9.9152 9.9152 11.6215 11.6215 11.6215 11.6215 k =-0.0200 0.0180 0.4148 ( 3276 PWs) bands (ev): -3.9064 -3.9064 -3.9064 -3.9064 0.4323 0.4323 0.4323 0.4323 0.4719 0.4719 0.4719 0.4719 0.7631 0.7631 0.7631 0.7631 0.8551 0.8551 0.8551 0.8551 0.9187 0.9187 0.9187 0.9187 4.0883 4.0883 4.0883 4.0883 5.4895 5.4895 5.4895 5.4895 5.9286 5.9286 5.9286 5.9286 9.9110 9.9110 9.9110 9.9110 11.6352 11.6352 11.6352 11.6352 k =-0.0300 0.0270 0.4148 ( 3284 PWs) bands (ev): -3.9027 -3.9027 -3.9027 -3.9027 0.4321 0.4321 0.4321 0.4321 0.4720 0.4720 0.4720 0.4720 0.7625 0.7625 0.7625 0.7625 0.8553 0.8553 0.8553 0.8553 0.9186 0.9186 0.9186 0.9186 4.0525 4.0525 4.0525 4.0525 5.5011 5.5011 5.5011 5.5011 5.9507 5.9507 5.9507 5.9507 9.9038 9.9038 9.9038 9.9038 11.6579 11.6579 11.6579 11.6579 k =-0.0400 0.0360 0.4148 ( 3280 PWs) bands (ev): -3.8976 -3.8976 -3.8976 -3.8976 0.4317 0.4317 0.4317 0.4317 0.4721 0.4721 0.4721 0.4721 0.7618 0.7618 0.7618 0.7618 0.8557 0.8557 0.8557 0.8557 0.9186 0.9186 0.9186 0.9186 4.0059 4.0059 4.0059 4.0059 5.5107 5.5107 5.5107 5.5107 5.9850 5.9850 5.9850 5.9850 9.8932 9.8932 9.8932 9.8932 11.6895 11.6895 11.6895 11.6895 k =-0.0500 0.0450 0.4148 ( 3280 PWs) bands (ev): -3.8910 -3.8910 -3.8910 -3.8910 0.4313 0.4313 0.4313 0.4313 0.4723 0.4723 0.4723 0.4723 0.7608 0.7608 0.7608 0.7608 0.8561 0.8561 0.8561 0.8561 0.9186 0.9186 0.9186 0.9186 3.9507 3.9507 3.9507 3.9507 5.5146 5.5146 5.5146 5.5146 6.0325 6.0325 6.0325 6.0325 9.8786 9.8786 9.8786 9.8786 11.7298 11.7298 11.7298 11.7298 k =-0.0600 0.0540 0.4148 ( 3268 PWs) bands (ev): -3.8829 -3.8829 -3.8829 -3.8829 0.4309 0.4309 0.4309 0.4309 0.4725 0.4725 0.4725 0.4725 0.7597 0.7597 0.7597 0.7597 0.8567 0.8567 0.8567 0.8567 0.9186 0.9186 0.9186 0.9186 3.8891 3.8891 3.8891 3.8891 5.5109 5.5109 5.5109 5.5109 6.0929 6.0929 6.0929 6.0929 9.8594 9.8594 9.8594 9.8594 11.7786 11.7786 11.7786 11.7786 k =-0.0700 0.0630 0.4148 ( 3266 PWs) bands (ev): -3.8735 -3.8735 -3.8735 -3.8735 0.4303 0.4303 0.4303 0.4303 0.4727 0.4727 0.4727 0.4727 0.7584 0.7584 0.7584 0.7584 0.8573 0.8573 0.8573 0.8573 0.9186 0.9186 0.9186 0.9186 3.8232 3.8232 3.8232 3.8232 5.4994 5.4994 5.4994 5.4994 6.1644 6.1644 6.1644 6.1644 9.8350 9.8350 9.8350 9.8350 11.8354 11.8354 11.8354 11.8354 k =-0.0800 0.0719 0.4148 ( 3274 PWs) bands (ev): -3.8627 -3.8627 -3.8627 -3.8627 0.4297 0.4297 0.4297 0.4297 0.4730 0.4730 0.4730 0.4730 0.7569 0.7569 0.7569 0.7569 0.8579 0.8579 0.8579 0.8579 0.9186 0.9186 0.9186 0.9186 3.7545 3.7545 3.7545 3.7545 5.4807 5.4807 5.4807 5.4807 6.2446 6.2446 6.2446 6.2446 9.8044 9.8044 9.8044 9.8044 11.8998 11.8998 11.8998 11.8998 k =-0.0900 0.0809 0.4148 ( 3276 PWs) bands (ev): -3.8506 -3.8506 -3.8506 -3.8506 0.4289 0.4289 0.4289 0.4289 0.4733 0.4733 0.4733 0.4733 0.7553 0.7553 0.7553 0.7553 0.8587 0.8587 0.8587 0.8587 0.9186 0.9186 0.9186 0.9186 3.6842 3.6842 3.6842 3.6842 5.4558 5.4558 5.4558 5.4558 6.3306 6.3306 6.3306 6.3306 9.7672 9.7672 9.7672 9.7672 11.9708 11.9708 11.9708 11.9708 k =-0.1000 0.0899 0.4148 ( 3276 PWs) bands (ev): -3.8372 -3.8372 -3.8372 -3.8372 0.4282 0.4282 0.4282 0.4282 0.4738 0.4738 0.4738 0.4738 0.7536 0.7536 0.7536 0.7536 0.8594 0.8594 0.8594 0.8594 0.9187 0.9187 0.9187 0.9187 3.6134 3.6134 3.6134 3.6134 5.4258 5.4258 5.4258 5.4258 6.4200 6.4200 6.4200 6.4200 9.7229 9.7229 9.7229 9.7229 12.0348 12.0348 12.0348 12.0348 k =-0.1100 0.0989 0.4148 ( 3276 PWs) bands (ev): -3.8226 -3.8226 -3.8226 -3.8226 0.4273 0.4273 0.4273 0.4273 0.4743 0.4743 0.4743 0.4743 0.7518 0.7518 0.7518 0.7518 0.8603 0.8603 0.8603 0.8603 0.9188 0.9188 0.9188 0.9188 3.5428 3.5428 3.5428 3.5428 5.3916 5.3916 5.3916 5.3916 6.5105 6.5105 6.5105 6.5105 9.6716 9.6716 9.6716 9.6716 11.9858 11.9858 11.9858 11.9858 k =-0.1200 0.1079 0.4148 ( 3280 PWs) bands (ev): -3.8068 -3.8068 -3.8068 -3.8068 0.4264 0.4264 0.4264 0.4264 0.4748 0.4748 0.4748 0.4748 0.7499 0.7499 0.7499 0.7499 0.8611 0.8611 0.8611 0.8611 0.9190 0.9190 0.9190 0.9190 3.4730 3.4730 3.4730 3.4730 5.3538 5.3538 5.3538 5.3538 6.5997 6.5997 6.5997 6.5997 9.6139 9.6139 9.6139 9.6139 11.9251 11.9251 11.9251 11.9251 k =-0.1300 0.1169 0.4148 ( 3280 PWs) bands (ev): -3.7899 -3.7899 -3.7899 -3.7899 0.4254 0.4254 0.4254 0.4254 0.4756 0.4756 0.4756 0.4756 0.7480 0.7480 0.7480 0.7480 0.8620 0.8620 0.8620 0.8620 0.9192 0.9192 0.9192 0.9192 3.4046 3.4046 3.4046 3.4046 5.3131 5.3131 5.3131 5.3131 6.6851 6.6851 6.6851 6.6851 9.5513 9.5513 9.5513 9.5513 11.8777 11.8777 11.8777 11.8777 k =-0.1400 0.1259 0.4148 ( 3284 PWs) bands (ev): -3.7719 -3.7719 -3.7719 -3.7719 0.4244 0.4244 0.4244 0.4244 0.4764 0.4764 0.4764 0.4764 0.7461 0.7461 0.7461 0.7461 0.8629 0.8629 0.8629 0.8629 0.9196 0.9196 0.9196 0.9196 3.3380 3.3380 3.3380 3.3380 5.2699 5.2699 5.2699 5.2699 6.7643 6.7643 6.7643 6.7643 9.4859 9.4859 9.4859 9.4859 11.8451 11.8451 11.8451 11.8451 k =-0.1500 0.1349 0.4148 ( 3284 PWs) bands (ev): -3.7529 -3.7529 -3.7529 -3.7529 0.4234 0.4234 0.4234 0.4234 0.4774 0.4774 0.4774 0.4774 0.7442 0.7442 0.7442 0.7442 0.8639 0.8639 0.8639 0.8639 0.9200 0.9200 0.9200 0.9200 3.2734 3.2734 3.2734 3.2734 5.2248 5.2248 5.2248 5.2248 6.8345 6.8345 6.8345 6.8345 9.4208 9.4208 9.4208 9.4208 11.8275 11.8275 11.8275 11.8275 k =-0.1600 0.1439 0.4148 ( 3280 PWs) bands (ev): -3.7330 -3.7330 -3.7330 -3.7330 0.4224 0.4224 0.4224 0.4224 0.4785 0.4785 0.4785 0.4785 0.7423 0.7423 0.7423 0.7423 0.8648 0.8648 0.8648 0.8648 0.9206 0.9206 0.9206 0.9206 3.2112 3.2112 3.2112 3.2112 5.1781 5.1781 5.1781 5.1781 6.8924 6.8924 6.8924 6.8924 9.3596 9.3596 9.3596 9.3596 11.8243 11.8243 11.8243 11.8243 k =-0.1700 0.1529 0.4148 ( 3278 PWs) bands (ev): -3.7123 -3.7123 -3.7123 -3.7123 0.4213 0.4213 0.4213 0.4213 0.4799 0.4799 0.4799 0.4799 0.7406 0.7406 0.7406 0.7406 0.8658 0.8658 0.8658 0.8658 0.9213 0.9213 0.9213 0.9213 3.1515 3.1515 3.1515 3.1515 5.1302 5.1302 5.1302 5.1302 6.9350 6.9350 6.9350 6.9350 9.3061 9.3061 9.3061 9.3061 11.8351 11.8351 11.8351 11.8351 k =-0.1800 0.1619 0.4148 ( 3274 PWs) bands (ev): -3.6908 -3.6908 -3.6908 -3.6908 0.4203 0.4203 0.4203 0.4203 0.4814 0.4814 0.4814 0.4814 0.7389 0.7389 0.7389 0.7389 0.8667 0.8667 0.8667 0.8667 0.9221 0.9221 0.9221 0.9221 3.0945 3.0945 3.0945 3.0945 5.0814 5.0814 5.0814 5.0814 6.9590 6.9590 6.9590 6.9590 9.2645 9.2645 9.2645 9.2645 11.8590 11.8590 11.8590 11.8590 k =-0.1900 0.1709 0.4148 ( 3274 PWs) bands (ev): -3.6686 -3.6686 -3.6686 -3.6686 0.4192 0.4192 0.4192 0.4192 0.4833 0.4833 0.4833 0.4833 0.7375 0.7375 0.7375 0.7375 0.8677 0.8677 0.8677 0.8677 0.9231 0.9231 0.9231 0.9231 3.0403 3.0403 3.0403 3.0403 5.0319 5.0319 5.0319 5.0319 6.9620 6.9620 6.9620 6.9620 9.2381 9.2381 9.2381 9.2381 11.8951 11.8951 11.8951 11.8951 k =-0.2000 0.1799 0.4148 ( 3274 PWs) bands (ev): -3.6459 -3.6459 -3.6459 -3.6459 0.4181 0.4181 0.4181 0.4181 0.4854 0.4854 0.4854 0.4854 0.7362 0.7362 0.7362 0.7362 0.8686 0.8686 0.8686 0.8686 0.9243 0.9243 0.9243 0.9243 2.9891 2.9891 2.9891 2.9891 4.9821 4.9821 4.9821 4.9821 6.9425 6.9425 6.9425 6.9425 9.2291 9.2291 9.2291 9.2291 11.9426 11.9426 11.9426 11.9426 k =-0.2100 0.1889 0.4148 ( 3274 PWs) bands (ev): -3.6227 -3.6227 -3.6227 -3.6227 0.4171 0.4171 0.4171 0.4171 0.4878 0.4878 0.4878 0.4878 0.7351 0.7351 0.7351 0.7351 0.8696 0.8696 0.8696 0.8696 0.9256 0.9256 0.9256 0.9256 2.9409 2.9409 2.9409 2.9409 4.9321 4.9321 4.9321 4.9321 6.9003 6.9003 6.9003 6.9003 9.2384 9.2384 9.2384 9.2384 12.0008 12.0008 12.0008 12.0008 k =-0.2200 0.1978 0.4148 ( 3286 PWs) bands (ev): -3.5991 -3.5991 -3.5991 -3.5991 0.4161 0.4161 0.4161 0.4161 0.4905 0.4905 0.4905 0.4905 0.7342 0.7342 0.7342 0.7342 0.8705 0.8705 0.8705 0.8705 0.9271 0.9271 0.9271 0.9271 2.8959 2.8959 2.8959 2.8959 4.8823 4.8823 4.8823 4.8823 6.8367 6.8367 6.8367 6.8367 9.2652 9.2652 9.2652 9.2652 12.0691 12.0691 12.0691 12.0691 k =-0.2300 0.2068 0.4148 ( 3292 PWs) bands (ev): -3.5753 -3.5753 -3.5753 -3.5753 0.4151 0.4151 0.4151 0.4151 0.4935 0.4935 0.4935 0.4935 0.7337 0.7337 0.7337 0.7337 0.8714 0.8714 0.8714 0.8714 0.9289 0.9289 0.9289 0.9289 2.8540 2.8540 2.8540 2.8540 4.8327 4.8327 4.8327 4.8327 6.7540 6.7540 6.7540 6.7540 9.3077 9.3077 9.3077 9.3077 12.1469 12.1469 12.1469 12.1469 k =-0.2400 0.2158 0.4148 ( 3292 PWs) bands (ev): -3.5512 -3.5512 -3.5512 -3.5512 0.4142 0.4142 0.4142 0.4142 0.4969 0.4969 0.4969 0.4969 0.7334 0.7334 0.7334 0.7334 0.8724 0.8724 0.8724 0.8724 0.9310 0.9310 0.9310 0.9310 2.8155 2.8155 2.8155 2.8155 4.7836 4.7836 4.7836 4.7836 6.6550 6.6550 6.6550 6.6550 9.3633 9.3633 9.3633 9.3633 12.2336 12.2336 12.2336 12.2336 k =-0.2500 0.2248 0.4148 ( 3288 PWs) bands (ev): -3.5271 -3.5271 -3.5271 -3.5271 0.4134 0.4134 0.4134 0.4134 0.5007 0.5007 0.5007 0.5007 0.7334 0.7334 0.7334 0.7334 0.8734 0.8734 0.8734 0.8734 0.9333 0.9333 0.9333 0.9333 2.7802 2.7802 2.7802 2.7802 4.7351 4.7351 4.7351 4.7351 6.5428 6.5428 6.5428 6.5428 9.4293 9.4293 9.4293 9.4293 12.3288 12.3288 12.3288 12.3288 k =-0.2600 0.2338 0.4148 ( 3296 PWs) bands (ev): -3.5030 -3.5030 -3.5030 -3.5030 0.4126 0.4126 0.4126 0.4126 0.5049 0.5049 0.5049 0.5049 0.7337 0.7337 0.7337 0.7337 0.8745 0.8745 0.8745 0.8745 0.9359 0.9359 0.9359 0.9359 2.7482 2.7482 2.7482 2.7482 4.6873 4.6873 4.6873 4.6873 6.4201 6.4201 6.4201 6.4201 9.5031 9.5031 9.5031 9.5031 12.4319 12.4319 12.4319 12.4319 k =-0.2700 0.2428 0.4148 ( 3308 PWs) bands (ev): -3.4791 -3.4791 -3.4791 -3.4791 0.4120 0.4120 0.4120 0.4120 0.5094 0.5094 0.5094 0.5094 0.7343 0.7343 0.7343 0.7343 0.8756 0.8756 0.8756 0.8756 0.9388 0.9388 0.9388 0.9388 2.7197 2.7197 2.7197 2.7197 4.6405 4.6405 4.6405 4.6405 6.2893 6.2893 6.2893 6.2893 9.5825 9.5825 9.5825 9.5825 12.5424 12.5424 12.5424 12.5424 k =-0.2800 0.2518 0.4148 ( 3308 PWs) bands (ev): -3.4554 -3.4554 -3.4554 -3.4554 0.4113 0.4113 0.4113 0.4113 0.5143 0.5143 0.5143 0.5143 0.7353 0.7353 0.7353 0.7353 0.8768 0.8768 0.8768 0.8768 0.9421 0.9421 0.9421 0.9421 2.6946 2.6946 2.6946 2.6946 4.5947 4.5947 4.5947 4.5947 6.1526 6.1526 6.1526 6.1526 9.6655 9.6655 9.6655 9.6655 12.6596 12.6596 12.6596 12.6596 k =-0.2900 0.2608 0.4148 ( 3300 PWs) bands (ev): -3.4321 -3.4321 -3.4321 -3.4321 0.4109 0.4109 0.4109 0.4109 0.5196 0.5196 0.5196 0.5196 0.7366 0.7366 0.7366 0.7366 0.8780 0.8780 0.8780 0.8780 0.9459 0.9459 0.9459 0.9459 2.6731 2.6731 2.6731 2.6731 4.5501 4.5501 4.5501 4.5501 6.0117 6.0117 6.0117 6.0117 9.7505 9.7505 9.7505 9.7505 12.7829 12.7829 12.7829 12.7829 k =-0.3000 0.2698 0.4148 ( 3292 PWs) bands (ev): -3.4092 -3.4092 -3.4092 -3.4092 0.4104 0.4104 0.4104 0.4104 0.5251 0.5251 0.5251 0.5251 0.7382 0.7382 0.7382 0.7382 0.8794 0.8794 0.8794 0.8794 0.9502 0.9502 0.9502 0.9502 2.6552 2.6552 2.6552 2.6552 4.5067 4.5067 4.5067 4.5067 5.8679 5.8679 5.8679 5.8679 9.8362 9.8362 9.8362 9.8362 12.9112 12.9112 12.9112 12.9112 k =-0.3100 0.2788 0.4148 ( 3292 PWs) bands (ev): -3.3869 -3.3869 -3.3869 -3.3869 0.4100 0.4100 0.4100 0.4100 0.5309 0.5309 0.5309 0.5309 0.7400 0.7400 0.7400 0.7400 0.8807 0.8807 0.8807 0.8807 0.9549 0.9549 0.9549 0.9549 2.6409 2.6409 2.6409 2.6409 4.4645 4.4645 4.4645 4.4645 5.7226 5.7226 5.7226 5.7226 9.9215 9.9215 9.9215 9.9215 13.0434 13.0434 13.0434 13.0434 k =-0.3200 0.2878 0.4148 ( 3288 PWs) bands (ev): -3.3652 -3.3652 -3.3652 -3.3652 0.4098 0.4098 0.4098 0.4098 0.5369 0.5369 0.5369 0.5369 0.7421 0.7421 0.7421 0.7421 0.8822 0.8822 0.8822 0.8822 0.9603 0.9603 0.9603 0.9603 2.6304 2.6304 2.6304 2.6304 4.4238 4.4238 4.4238 4.4238 5.5766 5.5766 5.5766 5.5766 10.0056 10.0056 10.0056 10.0056 13.1777 13.1777 13.1777 13.1777 k =-0.3300 0.2968 0.4148 ( 3292 PWs) bands (ev): -3.3443 -3.3443 -3.3443 -3.3443 0.4095 0.4095 0.4095 0.4095 0.5429 0.5429 0.5429 0.5429 0.7443 0.7443 0.7443 0.7443 0.8837 0.8837 0.8837 0.8837 0.9662 0.9662 0.9662 0.9662 2.6238 2.6238 2.6238 2.6238 4.3844 4.3844 4.3844 4.3844 5.4309 5.4309 5.4309 5.4309 10.0878 10.0878 10.0878 10.0878 13.3118 13.3118 13.3118 13.3118 k =-0.3400 0.3058 0.4148 ( 3296 PWs) bands (ev): -3.3241 -3.3241 -3.3241 -3.3241 0.4094 0.4094 0.4094 0.4094 0.5490 0.5490 0.5490 0.5490 0.7466 0.7466 0.7466 0.7466 0.8852 0.8852 0.8852 0.8852 0.9728 0.9728 0.9728 0.9728 2.6212 2.6212 2.6212 2.6212 4.3464 4.3464 4.3464 4.3464 5.2863 5.2863 5.2863 5.2863 10.1675 10.1675 10.1675 10.1675 13.4425 13.4425 13.4425 13.4425 k =-0.3500 0.3148 0.4148 ( 3300 PWs) bands (ev): -3.3049 -3.3049 -3.3049 -3.3049 0.4092 0.4092 0.4092 0.4092 0.5550 0.5550 0.5550 0.5550 0.7490 0.7490 0.7490 0.7490 0.8868 0.8868 0.8868 0.8868 0.9801 0.9801 0.9801 0.9801 2.6227 2.6227 2.6227 2.6227 4.3096 4.3096 4.3096 4.3096 5.1434 5.1434 5.1434 5.1434 10.2441 10.2441 10.2441 10.2441 13.5653 13.5653 13.5653 13.5653 k =-0.3600 0.3237 0.4148 ( 3296 PWs) bands (ev): -3.2867 -3.2867 -3.2867 -3.2867 0.4092 0.4092 0.4092 0.4092 0.5609 0.5609 0.5609 0.5609 0.7514 0.7514 0.7514 0.7514 0.8884 0.8884 0.8884 0.8884 0.9880 0.9880 0.9880 0.9880 2.6286 2.6286 2.6286 2.6286 4.2741 4.2741 4.2741 4.2741 5.0030 5.0030 5.0030 5.0030 10.3174 10.3174 10.3174 10.3174 13.6748 13.6748 13.6748 13.6748 k =-0.3700 0.3327 0.4148 ( 3292 PWs) bands (ev): -3.2695 -3.2695 -3.2695 -3.2695 0.4092 0.4092 0.4092 0.4092 0.5666 0.5666 0.5666 0.5666 0.7538 0.7538 0.7538 0.7538 0.8899 0.8899 0.8899 0.8899 0.9965 0.9965 0.9965 0.9965 2.6388 2.6388 2.6388 2.6388 4.2394 4.2394 4.2394 4.2394 4.8660 4.8660 4.8660 4.8660 10.3869 10.3869 10.3869 10.3869 13.7663 13.7663 13.7663 13.7663 k =-0.3800 0.3417 0.4148 ( 3288 PWs) bands (ev): -3.2534 -3.2534 -3.2534 -3.2534 0.4092 0.4092 0.4092 0.4092 0.5720 0.5720 0.5720 0.5720 0.7560 0.7560 0.7560 0.7560 0.8915 0.8915 0.8915 0.8915 1.0055 1.0055 1.0055 1.0055 2.6536 2.6536 2.6536 2.6536 4.2050 4.2050 4.2050 4.2050 4.7333 4.7333 4.7333 4.7333 10.4523 10.4523 10.4523 10.4523 13.8382 13.8382 13.8382 13.8382 k =-0.3900 0.3507 0.4148 ( 3280 PWs) bands (ev): -3.2384 -3.2384 -3.2384 -3.2384 0.4093 0.4093 0.4093 0.4093 0.5772 0.5772 0.5772 0.5772 0.7581 0.7581 0.7581 0.7581 0.8929 0.8929 0.8929 0.8929 1.0149 1.0149 1.0149 1.0149 2.6731 2.6731 2.6731 2.6731 4.1699 4.1699 4.1699 4.1699 4.6065 4.6065 4.6065 4.6065 10.5134 10.5134 10.5134 10.5134 13.8929 13.8929 13.8929 13.8929 k =-0.4000 0.3597 0.4148 ( 3278 PWs) bands (ev): -3.2246 -3.2246 -3.2246 -3.2246 0.4093 0.4093 0.4093 0.4093 0.5819 0.5819 0.5819 0.5819 0.7601 0.7601 0.7601 0.7601 0.8943 0.8943 0.8943 0.8943 1.0245 1.0245 1.0245 1.0245 2.6975 2.6975 2.6975 2.6975 4.1319 4.1319 4.1319 4.1319 4.4881 4.4881 4.4881 4.4881 10.5699 10.5699 10.5699 10.5699 13.9349 13.9349 13.9349 13.9349 k =-0.4100 0.3687 0.4148 ( 3282 PWs) bands (ev): -3.2120 -3.2120 -3.2120 -3.2120 0.4094 0.4094 0.4094 0.4094 0.5863 0.5863 0.5863 0.5863 0.7618 0.7618 0.7618 0.7618 0.8956 0.8956 0.8956 0.8956 1.0342 1.0342 1.0342 1.0342 2.7267 2.7267 2.7267 2.7267 4.0873 4.0873 4.0873 4.0873 4.3823 4.3823 4.3823 4.3823 10.6217 10.6217 10.6217 10.6217 13.9685 13.9685 13.9685 13.9685 k =-0.4200 0.3777 0.4148 ( 3282 PWs) bands (ev): -3.2007 -3.2007 -3.2007 -3.2007 0.4095 0.4095 0.4095 0.4095 0.5902 0.5902 0.5902 0.5902 0.7633 0.7633 0.7633 0.7633 0.8968 0.8968 0.8968 0.8968 1.0436 1.0436 1.0436 1.0436 2.7610 2.7610 2.7610 2.7610 4.0304 4.0304 4.0304 4.0304 4.2952 4.2952 4.2952 4.2952 10.6685 10.6685 10.6685 10.6685 13.9968 13.9968 13.9968 13.9968 k =-0.4300 0.3867 0.4148 ( 3278 PWs) bands (ev): -3.1907 -3.1907 -3.1907 -3.1907 0.4095 0.4095 0.4095 0.4095 0.5938 0.5938 0.5938 0.5938 0.7646 0.7646 0.7646 0.7646 0.8978 0.8978 0.8978 0.8978 1.0526 1.0526 1.0526 1.0526 2.8001 2.8001 2.8001 2.8001 3.9574 3.9574 3.9574 3.9574 4.2312 4.2312 4.2312 4.2312 10.7102 10.7102 10.7102 10.7102 14.0216 14.0216 14.0216 14.0216 k =-0.4400 0.3957 0.4148 ( 3290 PWs) bands (ev): -3.1820 -3.1820 -3.1820 -3.1820 0.4096 0.4096 0.4096 0.4096 0.5968 0.5968 0.5968 0.5968 0.7657 0.7657 0.7657 0.7657 0.8987 0.8987 0.8987 0.8987 1.0609 1.0609 1.0609 1.0609 2.8440 2.8440 2.8440 2.8440 3.8714 3.8714 3.8714 3.8714 4.1876 4.1876 4.1876 4.1876 10.7465 10.7465 10.7465 10.7465 14.0437 14.0437 14.0437 14.0437 k =-0.4500 0.4047 0.4148 ( 3294 PWs) bands (ev): -3.1746 -3.1746 -3.1746 -3.1746 0.4097 0.4097 0.4097 0.4097 0.5994 0.5994 0.5994 0.5994 0.7666 0.7666 0.7666 0.7666 0.8995 0.8995 0.8995 0.8995 1.0683 1.0683 1.0683 1.0683 2.8921 2.8921 2.8921 2.8921 3.7798 3.7798 3.7798 3.7798 4.1580 4.1580 4.1580 4.1580 10.7775 10.7775 10.7775 10.7775 14.0635 14.0635 14.0635 14.0635 k =-0.4600 0.4137 0.4148 ( 3292 PWs) bands (ev): -3.1685 -3.1685 -3.1685 -3.1685 0.4097 0.4097 0.4097 0.4097 0.6015 0.6015 0.6015 0.6015 0.7673 0.7673 0.7673 0.7673 0.9002 0.9002 0.9002 0.9002 1.0747 1.0747 1.0747 1.0747 2.9437 2.9437 2.9437 2.9437 3.6886 3.6886 3.6886 3.6886 4.1374 4.1374 4.1374 4.1374 10.8030 10.8030 10.8030 10.8030 14.0807 14.0807 14.0807 14.0807 k =-0.4700 0.4227 0.4148 ( 3296 PWs) bands (ev): -3.1638 -3.1638 -3.1638 -3.1638 0.4098 0.4098 0.4098 0.4098 0.6032 0.6032 0.6032 0.6032 0.7678 0.7678 0.7678 0.7678 0.9007 0.9007 0.9007 0.9007 1.0799 1.0799 1.0799 1.0799 2.9969 2.9969 2.9969 2.9969 3.6027 3.6027 3.6027 3.6027 4.1230 4.1230 4.1230 4.1230 10.8229 10.8229 10.8229 10.8229 14.0949 14.0949 14.0949 14.0949 k =-0.4800 0.4317 0.4148 ( 3300 PWs) bands (ev): -3.1604 -3.1604 -3.1604 -3.1604 0.4098 0.4098 0.4098 0.4098 0.6043 0.6043 0.6043 0.6043 0.7682 0.7682 0.7682 0.7682 0.9010 0.9010 0.9010 0.9010 1.0837 1.0837 1.0837 1.0837 3.0481 3.0481 3.0481 3.0481 3.5274 3.5274 3.5274 3.5274 4.1133 4.1133 4.1133 4.1133 10.8372 10.8372 10.8372 10.8372 14.1056 14.1056 14.1056 14.1056 k =-0.4900 0.4407 0.4148 ( 3290 PWs) bands (ev): -3.1584 -3.1584 -3.1584 -3.1584 0.4098 0.4098 0.4098 0.4098 0.6051 0.6051 0.6051 0.6051 0.7684 0.7684 0.7684 0.7684 0.9013 0.9013 0.9013 0.9013 1.0860 1.0860 1.0860 1.0860 3.0890 3.0890 3.0890 3.0890 3.4717 3.4717 3.4717 3.4717 4.1078 4.1078 4.1078 4.1078 10.8458 10.8458 10.8458 10.8458 14.1123 14.1123 14.1123 14.1123 k =-0.5000 0.4496 0.4148 ( 3292 PWs) bands (ev): -3.1577 -3.1577 -3.1577 -3.1577 0.4098 0.4098 0.4098 0.4098 0.6053 0.6053 0.6053 0.6053 0.7685 0.7685 0.7685 0.7685 0.9013 0.9013 0.9013 0.9013 1.0868 1.0868 1.0868 1.0868 3.1058 3.1058 3.1058 3.1058 3.4500 3.4500 3.4500 3.4500 4.1060 4.1060 4.1060 4.1060 10.8486 10.8486 10.8486 10.8486 14.1145 14.1145 14.1145 14.1145 Writing output data file ZnTe.save init_run : 2.60s CPU 13.01s WALL ( 1 calls) electrons : 499.40s CPU 507.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.30s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 499.33s CPU 507.55s WALL ( 1 calls) v_of_rho : 0.05s CPU 1.03s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.62s WALL ( 1 calls) newd : 0.30s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.32s WALL ( 414 calls) cegterg : 443.85s CPU 447.64s WALL ( 754 calls) Called by sum_band: Called by *egterg: h_psi : 193.16s CPU 200.22s WALL ( 11952 calls) s_psi : 31.01s CPU 31.52s WALL ( 11952 calls) g_psi : 0.57s CPU 0.58s WALL ( 10784 calls) cdiaghg : 160.16s CPU 158.13s WALL ( 11198 calls) cegterg:over : 39.74s CPU 36.79s WALL ( 10784 calls) cegterg:upda : 7.22s CPU 10.10s WALL ( 10784 calls) cegterg:last : 6.72s CPU 7.50s WALL ( 2019 calls) Called by h_psi: h_psi:vloc : 139.50s CPU 145.14s WALL ( 11952 calls) h_psi:vnl : 53.41s CPU 54.53s WALL ( 11952 calls) add_vuspsi : 20.36s CPU 23.76s WALL ( 11952 calls) General routines calbec : 32.99s CPU 30.68s WALL ( 11952 calls) fft : 0.17s CPU 1.42s WALL ( 19 calls) ffts : 0.01s CPU 0.07s WALL ( 4 calls) fftw : 130.67s CPU 135.89s WALL ( 1100276 calls) interpolate : 0.01s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 3.04s WALL ( 828 calls) Parallel routines fft_scatter : 88.13s CPU 92.95s WALL ( 1100299 calls) PWSCF : 9m19.24s CPU 11m18.27s WALL This run was terminated on: 5:47: 7 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=