Program PWSCF v.5.1.1 starts on 30May2015 at 21:44:45 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: ./AgI.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 17 5 529 529 86 Max 18 18 6 535 535 92 Sum 853 853 253 25573 25573 4227 bravais-lattice index = 14 lattice parameter (alat) = 7.6666 a.u. unit-cell volume = 616.7817 (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 = 46.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.666618 celldm(2)= 0.999754 celldm(3)= 1.384028 celldm(4)= 0.146601 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.999754 0.000000 ) a(3) = ( 0.000000 0.202900 1.369074 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000247 -0.148239 ) b(3) = ( 0.000000 0.000000 0.730421 ) PseudoPot. # 1 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential I 7.00 126.90450 I( 1.00) Ag 11.00 107.86820 Ag( 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 318 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0000000 0.0000000 0.0125935), wk = 0.0031447 k( 3) = ( 0.0000000 0.0000000 0.0251869), wk = 0.0031447 k( 4) = ( 0.0000000 0.0000000 0.0377804), wk = 0.0031447 k( 5) = ( 0.0000000 0.0000000 0.0503738), wk = 0.0031447 k( 6) = ( 0.0000000 0.0000000 0.0629673), wk = 0.0031447 k( 7) = ( 0.0000000 0.0000000 0.0755608), wk = 0.0031447 k( 8) = ( 0.0000000 0.0000000 0.0881542), wk = 0.0031447 k( 9) = ( 0.0000000 0.0000000 0.1007477), wk = 0.0031447 k( 10) = ( 0.0000000 0.0000000 0.1133411), wk = 0.0031447 k( 11) = ( 0.0000000 0.0000000 0.1259346), wk = 0.0031447 k( 12) = ( 0.0000000 0.0000000 0.1385280), wk = 0.0031447 k( 13) = ( 0.0000000 0.0000000 0.1511215), wk = 0.0031447 k( 14) = ( 0.0000000 0.0000000 0.1637150), wk = 0.0031447 k( 15) = ( 0.0000000 0.0000000 0.1763084), wk = 0.0031447 k( 16) = ( 0.0000000 0.0000000 0.1889019), wk = 0.0031447 k( 17) = ( 0.0000000 0.0000000 0.2014953), wk = 0.0031447 k( 18) = ( 0.0000000 0.0000000 0.2140888), wk = 0.0031447 k( 19) = ( 0.0000000 0.0000000 0.2266823), wk = 0.0031447 k( 20) = ( 0.0000000 0.0000000 0.2392757), wk = 0.0031447 k( 21) = ( 0.0000000 0.0000000 0.2518692), wk = 0.0031447 k( 22) = ( 0.0000000 0.0000000 0.2644626), wk = 0.0031447 k( 23) = ( 0.0000000 0.0000000 0.2770561), wk = 0.0031447 k( 24) = ( 0.0000000 0.0000000 0.2896496), wk = 0.0031447 k( 25) = ( 0.0000000 0.0000000 0.3022430), wk = 0.0031447 k( 26) = ( 0.0000000 0.0000000 0.3148365), wk = 0.0031447 k( 27) = ( 0.0000000 0.0000000 0.3274299), wk = 0.0031447 k( 28) = ( 0.0000000 0.0000000 0.3400234), wk = 0.0031447 k( 29) = ( 0.0000000 0.0000000 0.3526168), wk = 0.0031447 k( 30) = ( 0.0000000 0.0000000 0.3652103), wk = 0.0031447 k( 31) = ( 0.0000000 0.0000000 0.3652103), wk = 0.0031447 k( 32) = ( 0.0000000 0.0126940 0.3652103), wk = 0.0031447 k( 33) = ( 0.0000000 0.0253879 0.3652103), wk = 0.0031447 k( 34) = ( 0.0000000 0.0380819 0.3652103), wk = 0.0031447 k( 35) = ( 0.0000000 0.0507759 0.3652103), wk = 0.0031447 k( 36) = ( 0.0000000 0.0634699 0.3652103), wk = 0.0031447 k( 37) = ( 0.0000000 0.0761638 0.3652103), wk = 0.0031447 k( 38) = ( 0.0000000 0.0888578 0.3652103), wk = 0.0031447 k( 39) = ( 0.0000000 0.1015518 0.3652103), wk = 0.0031447 k( 40) = ( 0.0000000 0.1142457 0.3652103), wk = 0.0031447 k( 41) = ( 0.0000000 0.1269397 0.3652103), wk = 0.0031447 k( 42) = ( 0.0000000 0.1396337 0.3652103), wk = 0.0031447 k( 43) = ( 0.0000000 0.1523276 0.3652103), wk = 0.0031447 k( 44) = ( 0.0000000 0.1650216 0.3652103), wk = 0.0031447 k( 45) = ( 0.0000000 0.1777156 0.3652103), wk = 0.0031447 k( 46) = ( 0.0000000 0.1904096 0.3652103), wk = 0.0031447 k( 47) = ( 0.0000000 0.2031035 0.3652103), wk = 0.0031447 k( 48) = ( 0.0000000 0.2157975 0.3652103), wk = 0.0031447 k( 49) = ( 0.0000000 0.2284915 0.3652103), wk = 0.0031447 k( 50) = ( 0.0000000 0.2411854 0.3652103), wk = 0.0031447 k( 51) = ( 0.0000000 0.2538794 0.3652103), wk = 0.0031447 k( 52) = ( 0.0000000 0.2665734 0.3652103), wk = 0.0031447 k( 53) = ( 0.0000000 0.2792674 0.3652103), wk = 0.0031447 k( 54) = ( 0.0000000 0.2919613 0.3652103), wk = 0.0031447 k( 55) = ( 0.0000000 0.3046553 0.3652103), wk = 0.0031447 k( 56) = ( 0.0000000 0.3173493 0.3652103), wk = 0.0031447 k( 57) = ( 0.0000000 0.3300432 0.3652103), wk = 0.0031447 k( 58) = ( 0.0000000 0.3427372 0.3652103), wk = 0.0031447 k( 59) = ( 0.0000000 0.3554312 0.3652103), wk = 0.0031447 k( 60) = ( 0.0000000 0.3681252 0.3652103), wk = 0.0031447 k( 61) = ( 0.0000000 0.3808191 0.3652103), wk = 0.0031447 k( 62) = ( 0.0000000 0.3935131 0.3652103), wk = 0.0031447 k( 63) = ( 0.0000000 0.4062071 0.3652103), wk = 0.0031447 k( 64) = ( 0.0000000 0.4189010 0.3652103), wk = 0.0031447 k( 65) = ( 0.0000000 0.4315950 0.3652103), wk = 0.0031447 k( 66) = ( 0.0000000 0.4442890 0.3652103), wk = 0.0031447 k( 67) = ( 0.0000000 0.4569830 0.3652103), wk = 0.0031447 k( 68) = ( 0.0000000 0.4569830 0.3652103), wk = 0.0031447 k( 69) = ( 0.0000000 0.4631459 0.3546218), wk = 0.0031447 k( 70) = ( 0.0000000 0.4693088 0.3440333), wk = 0.0031447 k( 71) = ( 0.0000000 0.4754717 0.3334449), wk = 0.0031447 k( 72) = ( 0.0000000 0.4816346 0.3228564), wk = 0.0031447 k( 73) = ( 0.0000000 0.4877975 0.3122679), wk = 0.0031447 k( 74) = ( 0.0000000 0.4939604 0.3016794), wk = 0.0031447 k( 75) = ( 0.0000000 0.5001233 0.2910909), wk = 0.0031447 k( 76) = ( 0.0000000 0.5001233 0.2910909), wk = 0.0031447 k( 77) = ( 0.0128205 0.5001233 0.2910909), wk = 0.0031447 k( 78) = ( 0.0256410 0.5001233 0.2910909), wk = 0.0031447 k( 79) = ( 0.0384615 0.5001233 0.2910909), wk = 0.0031447 k( 80) = ( 0.0512821 0.5001233 0.2910909), wk = 0.0031447 k( 81) = ( 0.0641026 0.5001233 0.2910909), wk = 0.0031447 k( 82) = ( 0.0769231 0.5001233 0.2910909), wk = 0.0031447 k( 83) = ( 0.0897436 0.5001233 0.2910909), wk = 0.0031447 k( 84) = ( 0.1025641 0.5001233 0.2910909), wk = 0.0031447 k( 85) = ( 0.1153846 0.5001233 0.2910909), wk = 0.0031447 k( 86) = ( 0.1282051 0.5001233 0.2910909), wk = 0.0031447 k( 87) = ( 0.1410256 0.5001233 0.2910909), wk = 0.0031447 k( 88) = ( 0.1538461 0.5001233 0.2910909), wk = 0.0031447 k( 89) = ( 0.1666667 0.5001233 0.2910909), wk = 0.0031447 k( 90) = ( 0.1794872 0.5001233 0.2910909), wk = 0.0031447 k( 91) = ( 0.1923077 0.5001233 0.2910909), wk = 0.0031447 k( 92) = ( 0.2051282 0.5001233 0.2910909), wk = 0.0031447 k( 93) = ( 0.2179487 0.5001233 0.2910909), wk = 0.0031447 k( 94) = ( 0.2307692 0.5001233 0.2910909), wk = 0.0031447 k( 95) = ( 0.2435897 0.5001233 0.2910909), wk = 0.0031447 k( 96) = ( 0.2564103 0.5001233 0.2910909), wk = 0.0031447 k( 97) = ( 0.2692308 0.5001233 0.2910909), wk = 0.0031447 k( 98) = ( 0.2820513 0.5001233 0.2910909), wk = 0.0031447 k( 99) = ( 0.2948718 0.5001233 0.2910909), wk = 0.0031447 k( 100) = ( 0.3076923 0.5001233 0.2910909), wk = 0.0031447 k( 101) = ( 0.3205128 0.5001233 0.2910909), wk = 0.0031447 k( 102) = ( 0.3333333 0.5001233 0.2910909), wk = 0.0031447 k( 103) = ( 0.3461538 0.5001233 0.2910909), wk = 0.0031447 k( 104) = ( 0.3589744 0.5001233 0.2910909), wk = 0.0031447 k( 105) = ( 0.3717949 0.5001233 0.2910909), wk = 0.0031447 k( 106) = ( 0.3846154 0.5001233 0.2910909), wk = 0.0031447 k( 107) = ( 0.3974359 0.5001233 0.2910909), wk = 0.0031447 k( 108) = ( 0.4102564 0.5001233 0.2910909), wk = 0.0031447 k( 109) = ( 0.4230769 0.5001233 0.2910909), wk = 0.0031447 k( 110) = ( 0.4358974 0.5001233 0.2910909), wk = 0.0031447 k( 111) = ( 0.4487179 0.5001233 0.2910909), wk = 0.0031447 k( 112) = ( 0.4615385 0.5001233 0.2910909), wk = 0.0031447 k( 113) = ( 0.4743590 0.5001233 0.2910909), wk = 0.0031447 k( 114) = ( 0.4871795 0.5001233 0.2910909), wk = 0.0031447 k( 115) = ( 0.5000000 0.5001233 0.2910909), wk = 0.0031447 k( 116) = ( 0.5000000 0.5001233 0.2910909), wk = 0.0031447 k( 117) = ( 0.5000000 0.5062862 0.2805024), wk = 0.0031447 k( 118) = ( 0.5000000 0.5124491 0.2699140), wk = 0.0031447 k( 119) = ( 0.5000000 0.5186120 0.2593255), wk = 0.0031447 k( 120) = ( 0.5000000 0.5247749 0.2487370), wk = 0.0031447 k( 121) = ( 0.5000000 0.5309378 0.2381485), wk = 0.0031447 k( 122) = ( 0.5000000 0.5371007 0.2275600), wk = 0.0031447 k( 123) = ( 0.5000000 0.5432636 0.2169716), wk = 0.0031447 k( 124) = ( 0.5000000 0.5432636 0.2169716), wk = 0.0031447 k( 125) = ( 0.5000000 0.5413879 0.2043154), wk = 0.0031447 k( 126) = ( 0.5000000 0.5395123 0.1916593), wk = 0.0031447 k( 127) = ( 0.5000000 0.5376366 0.1790032), wk = 0.0031447 k( 128) = ( 0.5000000 0.5357609 0.1663470), wk = 0.0031447 k( 129) = ( 0.5000000 0.5338853 0.1536909), wk = 0.0031447 k( 130) = ( 0.5000000 0.5320096 0.1410348), wk = 0.0031447 k( 131) = ( 0.5000000 0.5301339 0.1283787), wk = 0.0031447 k( 132) = ( 0.5000000 0.5282583 0.1157225), wk = 0.0031447 k( 133) = ( 0.5000000 0.5263826 0.1030664), wk = 0.0031447 k( 134) = ( 0.5000000 0.5245069 0.0904103), wk = 0.0031447 k( 135) = ( 0.5000000 0.5226313 0.0777542), wk = 0.0031447 k( 136) = ( 0.5000000 0.5207556 0.0650980), wk = 0.0031447 k( 137) = ( 0.5000000 0.5188799 0.0524419), wk = 0.0031447 k( 138) = ( 0.5000000 0.5170043 0.0397858), wk = 0.0031447 k( 139) = ( 0.5000000 0.5151286 0.0271296), wk = 0.0031447 k( 140) = ( 0.5000000 0.5132529 0.0144735), wk = 0.0031447 k( 141) = ( 0.5000000 0.5113773 0.0018174), wk = 0.0031447 k( 142) = ( 0.5000000 0.5095016 -0.0108387), wk = 0.0031447 k( 143) = ( 0.5000000 0.5076259 -0.0234949), wk = 0.0031447 k( 144) = ( 0.5000000 0.5057503 -0.0361510), wk = 0.0031447 k( 145) = ( 0.5000000 0.5038746 -0.0488071), wk = 0.0031447 k( 146) = ( 0.5000000 0.5019989 -0.0614632), wk = 0.0031447 k( 147) = ( 0.5000000 0.5001233 -0.0741194), wk = 0.0031447 k( 148) = ( 0.5000000 0.5001233 -0.0741194), wk = 0.0031447 k( 149) = ( 0.4871795 0.5001233 -0.0741194), wk = 0.0031447 k( 150) = ( 0.4743590 0.5001233 -0.0741194), wk = 0.0031447 k( 151) = ( 0.4615385 0.5001233 -0.0741194), wk = 0.0031447 k( 152) = ( 0.4487179 0.5001233 -0.0741194), wk = 0.0031447 k( 153) = ( 0.4358974 0.5001233 -0.0741194), wk = 0.0031447 k( 154) = ( 0.4230769 0.5001233 -0.0741194), wk = 0.0031447 k( 155) = ( 0.4102564 0.5001233 -0.0741194), wk = 0.0031447 k( 156) = ( 0.3974359 0.5001233 -0.0741194), wk = 0.0031447 k( 157) = ( 0.3846154 0.5001233 -0.0741194), wk = 0.0031447 k( 158) = ( 0.3717949 0.5001233 -0.0741194), wk = 0.0031447 k( 159) = ( 0.3589744 0.5001233 -0.0741194), wk = 0.0031447 k( 160) = ( 0.3461538 0.5001233 -0.0741194), wk = 0.0031447 k( 161) = ( 0.3333333 0.5001233 -0.0741194), wk = 0.0031447 k( 162) = ( 0.3205128 0.5001233 -0.0741194), wk = 0.0031447 k( 163) = ( 0.3076923 0.5001233 -0.0741194), wk = 0.0031447 k( 164) = ( 0.2948718 0.5001233 -0.0741194), wk = 0.0031447 k( 165) = ( 0.2820513 0.5001233 -0.0741194), wk = 0.0031447 k( 166) = ( 0.2692308 0.5001233 -0.0741194), wk = 0.0031447 k( 167) = ( 0.2564103 0.5001233 -0.0741194), wk = 0.0031447 k( 168) = ( 0.2435897 0.5001233 -0.0741194), wk = 0.0031447 k( 169) = ( 0.2307692 0.5001233 -0.0741194), wk = 0.0031447 k( 170) = ( 0.2179487 0.5001233 -0.0741194), wk = 0.0031447 k( 171) = ( 0.2051282 0.5001233 -0.0741194), wk = 0.0031447 k( 172) = ( 0.1923077 0.5001233 -0.0741194), wk = 0.0031447 k( 173) = ( 0.1794872 0.5001233 -0.0741194), wk = 0.0031447 k( 174) = ( 0.1666667 0.5001233 -0.0741194), wk = 0.0031447 k( 175) = ( 0.1538461 0.5001233 -0.0741194), wk = 0.0031447 k( 176) = ( 0.1410256 0.5001233 -0.0741194), wk = 0.0031447 k( 177) = ( 0.1282051 0.5001233 -0.0741194), wk = 0.0031447 k( 178) = ( 0.1153846 0.5001233 -0.0741194), wk = 0.0031447 k( 179) = ( 0.1025641 0.5001233 -0.0741194), wk = 0.0031447 k( 180) = ( 0.0897436 0.5001233 -0.0741194), wk = 0.0031447 k( 181) = ( 0.0769231 0.5001233 -0.0741194), wk = 0.0031447 k( 182) = ( 0.0641026 0.5001233 -0.0741194), wk = 0.0031447 k( 183) = ( 0.0512821 0.5001233 -0.0741194), wk = 0.0031447 k( 184) = ( 0.0384615 0.5001233 -0.0741194), wk = 0.0031447 k( 185) = ( 0.0256410 0.5001233 -0.0741194), wk = 0.0031447 k( 186) = ( 0.0128205 0.5001233 -0.0741194), wk = 0.0031447 k( 187) = ( 0.0000000 0.5001233 -0.0741194), wk = 0.0031447 k( 188) = ( 0.0000000 0.5001233 -0.0741194), wk = 0.0031447 k( 189) = ( 0.0000000 0.5019989 -0.0614632), wk = 0.0031447 k( 190) = ( 0.0000000 0.5038746 -0.0488071), wk = 0.0031447 k( 191) = ( 0.0000000 0.5057503 -0.0361510), wk = 0.0031447 k( 192) = ( 0.0000000 0.5076259 -0.0234949), wk = 0.0031447 k( 193) = ( 0.0000000 0.5095016 -0.0108387), wk = 0.0031447 k( 194) = ( 0.0000000 0.5113773 0.0018174), wk = 0.0031447 k( 195) = ( 0.0000000 0.5132529 0.0144735), wk = 0.0031447 k( 196) = ( 0.0000000 0.5151286 0.0271296), wk = 0.0031447 k( 197) = ( 0.0000000 0.5170043 0.0397858), wk = 0.0031447 k( 198) = ( 0.0000000 0.5188799 0.0524419), wk = 0.0031447 k( 199) = ( 0.0000000 0.5207556 0.0650980), wk = 0.0031447 k( 200) = ( 0.0000000 0.5226313 0.0777542), wk = 0.0031447 k( 201) = ( 0.0000000 0.5245069 0.0904103), wk = 0.0031447 k( 202) = ( 0.0000000 0.5263826 0.1030664), wk = 0.0031447 k( 203) = ( 0.0000000 0.5282583 0.1157225), wk = 0.0031447 k( 204) = ( 0.0000000 0.5301339 0.1283787), wk = 0.0031447 k( 205) = ( 0.0000000 0.5320096 0.1410348), wk = 0.0031447 k( 206) = ( 0.0000000 0.5338853 0.1536909), wk = 0.0031447 k( 207) = ( 0.0000000 0.5357609 0.1663470), wk = 0.0031447 k( 208) = ( 0.0000000 0.5376366 0.1790032), wk = 0.0031447 k( 209) = ( 0.0000000 0.5395123 0.1916593), wk = 0.0031447 k( 210) = ( 0.0000000 0.5413879 0.2043154), wk = 0.0031447 k( 211) = ( 0.0000000 0.5432636 0.2169716), wk = 0.0031447 k( 212) = ( 0.5000000 0.4569830 0.3652103), wk = 0.0031447 k( 213) = ( 0.5000000 0.4442890 0.3652103), wk = 0.0031447 k( 214) = ( 0.5000000 0.4315950 0.3652103), wk = 0.0031447 k( 215) = ( 0.5000000 0.4189010 0.3652103), wk = 0.0031447 k( 216) = ( 0.5000000 0.4062071 0.3652103), wk = 0.0031447 k( 217) = ( 0.5000000 0.3935131 0.3652103), wk = 0.0031447 k( 218) = ( 0.5000000 0.3808191 0.3652103), wk = 0.0031447 k( 219) = ( 0.5000000 0.3681252 0.3652103), wk = 0.0031447 k( 220) = ( 0.5000000 0.3554312 0.3652103), wk = 0.0031447 k( 221) = ( 0.5000000 0.3427372 0.3652103), wk = 0.0031447 k( 222) = ( 0.5000000 0.3300432 0.3652103), wk = 0.0031447 k( 223) = ( 0.5000000 0.3173493 0.3652103), wk = 0.0031447 k( 224) = ( 0.5000000 0.3046553 0.3652103), wk = 0.0031447 k( 225) = ( 0.5000000 0.2919613 0.3652103), wk = 0.0031447 k( 226) = ( 0.5000000 0.2792674 0.3652103), wk = 0.0031447 k( 227) = ( 0.5000000 0.2665734 0.3652103), wk = 0.0031447 k( 228) = ( 0.5000000 0.2538794 0.3652103), wk = 0.0031447 k( 229) = ( 0.5000000 0.2411854 0.3652103), wk = 0.0031447 k( 230) = ( 0.5000000 0.2284915 0.3652103), wk = 0.0031447 k( 231) = ( 0.5000000 0.2157975 0.3652103), wk = 0.0031447 k( 232) = ( 0.5000000 0.2031035 0.3652103), wk = 0.0031447 k( 233) = ( 0.5000000 0.1904096 0.3652103), wk = 0.0031447 k( 234) = ( 0.5000000 0.1777156 0.3652103), wk = 0.0031447 k( 235) = ( 0.5000000 0.1650216 0.3652103), wk = 0.0031447 k( 236) = ( 0.5000000 0.1523276 0.3652103), wk = 0.0031447 k( 237) = ( 0.5000000 0.1396337 0.3652103), wk = 0.0031447 k( 238) = ( 0.5000000 0.1269397 0.3652103), wk = 0.0031447 k( 239) = ( 0.5000000 0.1142457 0.3652103), wk = 0.0031447 k( 240) = ( 0.5000000 0.1015518 0.3652103), wk = 0.0031447 k( 241) = ( 0.5000000 0.0888578 0.3652103), wk = 0.0031447 k( 242) = ( 0.5000000 0.0761638 0.3652103), wk = 0.0031447 k( 243) = ( 0.5000000 0.0634699 0.3652103), wk = 0.0031447 k( 244) = ( 0.5000000 0.0507759 0.3652103), wk = 0.0031447 k( 245) = ( 0.5000000 0.0380819 0.3652103), wk = 0.0031447 k( 246) = ( 0.5000000 0.0253879 0.3652103), wk = 0.0031447 k( 247) = ( 0.5000000 0.0126940 0.3652103), wk = 0.0031447 k( 248) = ( 0.5000000 -0.0000000 0.3652103), wk = 0.0031447 k( 249) = ( 0.5000000 -0.0000000 0.3652103), wk = 0.0031447 k( 250) = ( 0.5000000 -0.0000000 0.3526168), wk = 0.0031447 k( 251) = ( 0.5000000 -0.0000000 0.3400234), wk = 0.0031447 k( 252) = ( 0.5000000 -0.0000000 0.3274299), wk = 0.0031447 k( 253) = ( 0.5000000 -0.0000000 0.3148365), wk = 0.0031447 k( 254) = ( 0.5000000 -0.0000000 0.3022430), wk = 0.0031447 k( 255) = ( 0.5000000 -0.0000000 0.2896496), wk = 0.0031447 k( 256) = ( 0.5000000 -0.0000000 0.2770561), wk = 0.0031447 k( 257) = ( 0.5000000 -0.0000000 0.2644626), wk = 0.0031447 k( 258) = ( 0.5000000 -0.0000000 0.2518692), wk = 0.0031447 k( 259) = ( 0.5000000 -0.0000000 0.2392757), wk = 0.0031447 k( 260) = ( 0.5000000 -0.0000000 0.2266823), wk = 0.0031447 k( 261) = ( 0.5000000 -0.0000000 0.2140888), wk = 0.0031447 k( 262) = ( 0.5000000 -0.0000000 0.2014953), wk = 0.0031447 k( 263) = ( 0.5000000 -0.0000000 0.1889019), wk = 0.0031447 k( 264) = ( 0.5000000 -0.0000000 0.1763084), wk = 0.0031447 k( 265) = ( 0.5000000 -0.0000000 0.1637150), wk = 0.0031447 k( 266) = ( 0.5000000 -0.0000000 0.1511215), wk = 0.0031447 k( 267) = ( 0.5000000 -0.0000000 0.1385280), wk = 0.0031447 k( 268) = ( 0.5000000 -0.0000000 0.1259346), wk = 0.0031447 k( 269) = ( 0.5000000 -0.0000000 0.1133411), wk = 0.0031447 k( 270) = ( 0.5000000 -0.0000000 0.1007477), wk = 0.0031447 k( 271) = ( 0.5000000 -0.0000000 0.0881542), wk = 0.0031447 k( 272) = ( 0.5000000 -0.0000000 0.0755608), wk = 0.0031447 k( 273) = ( 0.5000000 -0.0000000 0.0629673), wk = 0.0031447 k( 274) = ( 0.5000000 -0.0000000 0.0503738), wk = 0.0031447 k( 275) = ( 0.5000000 -0.0000000 0.0377804), wk = 0.0031447 k( 276) = ( 0.5000000 -0.0000000 0.0251869), wk = 0.0031447 k( 277) = ( 0.5000000 -0.0000000 0.0125935), wk = 0.0031447 k( 278) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0031447 k( 279) = ( 0.0000000 0.0000000 0.3652103), wk = 0.0031447 k( 280) = ( 0.0128205 -0.0000000 0.3652103), wk = 0.0031447 k( 281) = ( 0.0256410 -0.0000000 0.3652103), wk = 0.0031447 k( 282) = ( 0.0384615 -0.0000000 0.3652103), wk = 0.0031447 k( 283) = ( 0.0512821 -0.0000000 0.3652103), wk = 0.0031447 k( 284) = ( 0.0641026 -0.0000000 0.3652103), wk = 0.0031447 k( 285) = ( 0.0769231 -0.0000000 0.3652103), wk = 0.0031447 k( 286) = ( 0.0897436 -0.0000000 0.3652103), wk = 0.0031447 k( 287) = ( 0.1025641 -0.0000000 0.3652103), wk = 0.0031447 k( 288) = ( 0.1153846 -0.0000000 0.3652103), wk = 0.0031447 k( 289) = ( 0.1282051 -0.0000000 0.3652103), wk = 0.0031447 k( 290) = ( 0.1410256 -0.0000000 0.3652103), wk = 0.0031447 k( 291) = ( 0.1538461 -0.0000000 0.3652103), wk = 0.0031447 k( 292) = ( 0.1666667 -0.0000000 0.3652103), wk = 0.0031447 k( 293) = ( 0.1794872 -0.0000000 0.3652103), wk = 0.0031447 k( 294) = ( 0.1923077 -0.0000000 0.3652103), wk = 0.0031447 k( 295) = ( 0.2051282 -0.0000000 0.3652103), wk = 0.0031447 k( 296) = ( 0.2179487 -0.0000000 0.3652103), wk = 0.0031447 k( 297) = ( 0.2307692 -0.0000000 0.3652103), wk = 0.0031447 k( 298) = ( 0.2435897 -0.0000000 0.3652103), wk = 0.0031447 k( 299) = ( 0.2564103 -0.0000000 0.3652103), wk = 0.0031447 k( 300) = ( 0.2692308 -0.0000000 0.3652103), wk = 0.0031447 k( 301) = ( 0.2820513 -0.0000000 0.3652103), wk = 0.0031447 k( 302) = ( 0.2948718 -0.0000000 0.3652103), wk = 0.0031447 k( 303) = ( 0.3076923 -0.0000000 0.3652103), wk = 0.0031447 k( 304) = ( 0.3205128 -0.0000000 0.3652103), wk = 0.0031447 k( 305) = ( 0.3333333 -0.0000000 0.3652103), wk = 0.0031447 k( 306) = ( 0.3461538 -0.0000000 0.3652103), wk = 0.0031447 k( 307) = ( 0.3589744 -0.0000000 0.3652103), wk = 0.0031447 k( 308) = ( 0.3717949 -0.0000000 0.3652103), wk = 0.0031447 k( 309) = ( 0.3846154 -0.0000000 0.3652103), wk = 0.0031447 k( 310) = ( 0.3974359 -0.0000000 0.3652103), wk = 0.0031447 k( 311) = ( 0.4102564 -0.0000000 0.3652103), wk = 0.0031447 k( 312) = ( 0.4230769 -0.0000000 0.3652103), wk = 0.0031447 k( 313) = ( 0.4358974 -0.0000000 0.3652103), wk = 0.0031447 k( 314) = ( 0.4487179 -0.0000000 0.3652103), wk = 0.0031447 k( 315) = ( 0.4615385 -0.0000000 0.3652103), wk = 0.0031447 k( 316) = ( 0.4743590 -0.0000000 0.3652103), wk = 0.0031447 k( 317) = ( 0.4871795 -0.0000000 0.3652103), wk = 0.0031447 k( 318) = ( 0.5000000 -0.0000000 0.3652103), wk = 0.0031447 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0031447 k( 3) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0031447 k( 4) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0031447 k( 5) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0031447 k( 6) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0031447 k( 7) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0031447 k( 8) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0031447 k( 9) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0031447 k( 10) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0031447 k( 11) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0031447 k( 12) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0031447 k( 13) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0031447 k( 14) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0031447 k( 15) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0031447 k( 16) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0031447 k( 17) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0031447 k( 18) = ( 0.0000000 0.0000000 0.2931035), wk = 0.0031447 k( 19) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0031447 k( 20) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0031447 k( 21) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0031447 k( 22) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0031447 k( 23) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0031447 k( 24) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0031447 k( 25) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0031447 k( 26) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0031447 k( 27) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0031447 k( 28) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0031447 k( 29) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0031447 k( 30) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 31) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 32) = ( 0.0000000 0.0126908 0.5025756), wk = 0.0031447 k( 33) = ( 0.0000000 0.0253817 0.5051512), wk = 0.0031447 k( 34) = ( 0.0000000 0.0380725 0.5077268), wk = 0.0031447 k( 35) = ( 0.0000000 0.0507634 0.5103024), wk = 0.0031447 k( 36) = ( 0.0000000 0.0634542 0.5128780), wk = 0.0031447 k( 37) = ( 0.0000000 0.0761451 0.5154536), wk = 0.0031447 k( 38) = ( 0.0000000 0.0888359 0.5180292), wk = 0.0031447 k( 39) = ( 0.0000000 0.1015267 0.5206048), wk = 0.0031447 k( 40) = ( 0.0000000 0.1142176 0.5231804), wk = 0.0031447 k( 41) = ( 0.0000000 0.1269084 0.5257560), wk = 0.0031447 k( 42) = ( 0.0000000 0.1395993 0.5283317), wk = 0.0031447 k( 43) = ( 0.0000000 0.1522901 0.5309073), wk = 0.0031447 k( 44) = ( 0.0000000 0.1649809 0.5334829), wk = 0.0031447 k( 45) = ( 0.0000000 0.1776718 0.5360585), wk = 0.0031447 k( 46) = ( 0.0000000 0.1903626 0.5386341), wk = 0.0031447 k( 47) = ( 0.0000000 0.2030535 0.5412097), wk = 0.0031447 k( 48) = ( 0.0000000 0.2157443 0.5437853), wk = 0.0031447 k( 49) = ( 0.0000000 0.2284352 0.5463609), wk = 0.0031447 k( 50) = ( 0.0000000 0.2411260 0.5489365), wk = 0.0031447 k( 51) = ( 0.0000000 0.2538168 0.5515121), wk = 0.0031447 k( 52) = ( 0.0000000 0.2665077 0.5540877), wk = 0.0031447 k( 53) = ( 0.0000000 0.2791985 0.5566633), wk = 0.0031447 k( 54) = ( 0.0000000 0.2918894 0.5592389), wk = 0.0031447 k( 55) = ( 0.0000000 0.3045802 0.5618145), wk = 0.0031447 k( 56) = ( 0.0000000 0.3172710 0.5643901), wk = 0.0031447 k( 57) = ( 0.0000000 0.3299619 0.5669657), wk = 0.0031447 k( 58) = ( 0.0000000 0.3426527 0.5695413), wk = 0.0031447 k( 59) = ( 0.0000000 0.3553436 0.5721169), wk = 0.0031447 k( 60) = ( 0.0000000 0.3680344 0.5746925), wk = 0.0031447 k( 61) = ( 0.0000000 0.3807253 0.5772681), wk = 0.0031447 k( 62) = ( 0.0000000 0.3934161 0.5798437), wk = 0.0031447 k( 63) = ( 0.0000000 0.4061070 0.5824193), wk = 0.0031447 k( 64) = ( 0.0000000 0.4187978 0.5849949), wk = 0.0031447 k( 65) = ( 0.0000000 0.4314886 0.5875706), wk = 0.0031447 k( 66) = ( 0.0000000 0.4441795 0.5901462), wk = 0.0031447 k( 67) = ( 0.0000000 0.4568703 0.5927218), wk = 0.0031447 k( 68) = ( 0.0000000 0.4568703 0.5927218), wk = 0.0031447 k( 69) = ( 0.0000000 0.4630317 0.5794758), wk = 0.0031447 k( 70) = ( 0.0000000 0.4691931 0.5662298), wk = 0.0031447 k( 71) = ( 0.0000000 0.4753545 0.5529839), wk = 0.0031447 k( 72) = ( 0.0000000 0.4815159 0.5397379), wk = 0.0031447 k( 73) = ( 0.0000000 0.4876772 0.5264919), wk = 0.0031447 k( 74) = ( 0.0000000 0.4938386 0.5132460), wk = 0.0031447 k( 75) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031447 k( 76) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031447 k( 77) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0031447 k( 78) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0031447 k( 79) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0031447 k( 80) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0031447 k( 81) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0031447 k( 82) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0031447 k( 83) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0031447 k( 84) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0031447 k( 85) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0031447 k( 86) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0031447 k( 87) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0031447 k( 88) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0031447 k( 89) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0031447 k( 90) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0031447 k( 91) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0031447 k( 92) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0031447 k( 93) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0031447 k( 94) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0031447 k( 95) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0031447 k( 96) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0031447 k( 97) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0031447 k( 98) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0031447 k( 99) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0031447 k( 100) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0031447 k( 101) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0031447 k( 102) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0031447 k( 103) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0031447 k( 104) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0031447 k( 105) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0031447 k( 106) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0031447 k( 107) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0031447 k( 108) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0031447 k( 109) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0031447 k( 110) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0031447 k( 111) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0031447 k( 112) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0031447 k( 113) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0031447 k( 114) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0031447 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031447 k( 116) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031447 k( 117) = ( 0.5000000 0.5061614 0.4867540), wk = 0.0031447 k( 118) = ( 0.5000000 0.5123228 0.4735081), wk = 0.0031447 k( 119) = ( 0.5000000 0.5184842 0.4602621), wk = 0.0031447 k( 120) = ( 0.5000000 0.5246455 0.4470161), wk = 0.0031447 k( 121) = ( 0.5000000 0.5308069 0.4337702), wk = 0.0031447 k( 122) = ( 0.5000000 0.5369683 0.4205242), wk = 0.0031447 k( 123) = ( 0.5000000 0.5431297 0.4072782), wk = 0.0031447 k( 124) = ( 0.5000000 0.5431297 0.4072782), wk = 0.0031447 k( 125) = ( 0.5000000 0.5412545 0.3895705), wk = 0.0031447 k( 126) = ( 0.5000000 0.5393793 0.3718627), wk = 0.0031447 k( 127) = ( 0.5000000 0.5375041 0.3541550), wk = 0.0031447 k( 128) = ( 0.5000000 0.5356289 0.3364472), wk = 0.0031447 k( 129) = ( 0.5000000 0.5337537 0.3187395), wk = 0.0031447 k( 130) = ( 0.5000000 0.5318785 0.3010317), wk = 0.0031447 k( 131) = ( 0.5000000 0.5300033 0.2833240), wk = 0.0031447 k( 132) = ( 0.5000000 0.5281281 0.2656162), wk = 0.0031447 k( 133) = ( 0.5000000 0.5262528 0.2479085), wk = 0.0031447 k( 134) = ( 0.5000000 0.5243777 0.2302008), wk = 0.0031447 k( 135) = ( 0.5000000 0.5225024 0.2124930), wk = 0.0031447 k( 136) = ( 0.5000000 0.5206272 0.1947853), wk = 0.0031447 k( 137) = ( 0.5000000 0.5187520 0.1770775), wk = 0.0031447 k( 138) = ( 0.5000000 0.5168768 0.1593698), wk = 0.0031447 k( 139) = ( 0.5000000 0.5150016 0.1416620), wk = 0.0031447 k( 140) = ( 0.5000000 0.5131264 0.1239543), wk = 0.0031447 k( 141) = ( 0.5000000 0.5112512 0.1062465), wk = 0.0031447 k( 142) = ( 0.5000000 0.5093760 0.0885387), wk = 0.0031447 k( 143) = ( 0.5000000 0.5075008 0.0708310), wk = 0.0031447 k( 144) = ( 0.5000000 0.5056256 0.0531233), wk = 0.0031447 k( 145) = ( 0.5000000 0.5037504 0.0354155), wk = 0.0031447 k( 146) = ( 0.5000000 0.5018752 0.0177077), wk = 0.0031447 k( 147) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031447 k( 148) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031447 k( 149) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0031447 k( 150) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0031447 k( 151) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0031447 k( 152) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0031447 k( 153) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0031447 k( 154) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0031447 k( 155) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0031447 k( 156) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0031447 k( 157) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0031447 k( 158) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0031447 k( 159) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0031447 k( 160) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0031447 k( 161) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0031447 k( 162) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0031447 k( 163) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0031447 k( 164) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0031447 k( 165) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0031447 k( 166) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0031447 k( 167) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0031447 k( 168) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0031447 k( 169) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0031447 k( 170) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0031447 k( 171) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0031447 k( 172) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0031447 k( 173) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0031447 k( 174) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0031447 k( 175) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0031447 k( 176) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0031447 k( 177) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0031447 k( 178) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0031447 k( 179) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0031447 k( 180) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0031447 k( 181) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0031447 k( 182) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0031447 k( 183) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0031447 k( 184) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0031447 k( 185) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0031447 k( 186) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0031447 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031447 k( 188) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031447 k( 189) = ( 0.0000000 0.5018752 0.0177077), wk = 0.0031447 k( 190) = ( 0.0000000 0.5037504 0.0354155), wk = 0.0031447 k( 191) = ( 0.0000000 0.5056256 0.0531232), wk = 0.0031447 k( 192) = ( 0.0000000 0.5075008 0.0708310), wk = 0.0031447 k( 193) = ( 0.0000000 0.5093760 0.0885387), wk = 0.0031447 k( 194) = ( 0.0000000 0.5112512 0.1062465), wk = 0.0031447 k( 195) = ( 0.0000000 0.5131264 0.1239543), wk = 0.0031447 k( 196) = ( 0.0000000 0.5150016 0.1416620), wk = 0.0031447 k( 197) = ( 0.0000000 0.5168768 0.1593698), wk = 0.0031447 k( 198) = ( 0.0000000 0.5187520 0.1770775), wk = 0.0031447 k( 199) = ( 0.0000000 0.5206272 0.1947853), wk = 0.0031447 k( 200) = ( 0.0000000 0.5225024 0.2124930), wk = 0.0031447 k( 201) = ( 0.0000000 0.5243777 0.2302008), wk = 0.0031447 k( 202) = ( 0.0000000 0.5262528 0.2479085), wk = 0.0031447 k( 203) = ( 0.0000000 0.5281281 0.2656162), wk = 0.0031447 k( 204) = ( 0.0000000 0.5300033 0.2833240), wk = 0.0031447 k( 205) = ( 0.0000000 0.5318785 0.3010317), wk = 0.0031447 k( 206) = ( 0.0000000 0.5337537 0.3187395), wk = 0.0031447 k( 207) = ( 0.0000000 0.5356289 0.3364472), wk = 0.0031447 k( 208) = ( 0.0000000 0.5375041 0.3541550), wk = 0.0031447 k( 209) = ( 0.0000000 0.5393793 0.3718627), wk = 0.0031447 k( 210) = ( 0.0000000 0.5412545 0.3895705), wk = 0.0031447 k( 211) = ( 0.0000000 0.5431297 0.4072782), wk = 0.0031447 k( 212) = ( 0.5000000 0.4568703 0.5927218), wk = 0.0031447 k( 213) = ( 0.5000000 0.4441795 0.5901462), wk = 0.0031447 k( 214) = ( 0.5000000 0.4314886 0.5875706), wk = 0.0031447 k( 215) = ( 0.5000000 0.4187978 0.5849949), wk = 0.0031447 k( 216) = ( 0.5000000 0.4061070 0.5824193), wk = 0.0031447 k( 217) = ( 0.5000000 0.3934161 0.5798437), wk = 0.0031447 k( 218) = ( 0.5000000 0.3807253 0.5772681), wk = 0.0031447 k( 219) = ( 0.5000000 0.3680344 0.5746925), wk = 0.0031447 k( 220) = ( 0.5000000 0.3553436 0.5721169), wk = 0.0031447 k( 221) = ( 0.5000000 0.3426527 0.5695413), wk = 0.0031447 k( 222) = ( 0.5000000 0.3299619 0.5669657), wk = 0.0031447 k( 223) = ( 0.5000000 0.3172710 0.5643901), wk = 0.0031447 k( 224) = ( 0.5000000 0.3045802 0.5618145), wk = 0.0031447 k( 225) = ( 0.5000000 0.2918894 0.5592389), wk = 0.0031447 k( 226) = ( 0.5000000 0.2791985 0.5566633), wk = 0.0031447 k( 227) = ( 0.5000000 0.2665077 0.5540877), wk = 0.0031447 k( 228) = ( 0.5000000 0.2538168 0.5515121), wk = 0.0031447 k( 229) = ( 0.5000000 0.2411260 0.5489365), wk = 0.0031447 k( 230) = ( 0.5000000 0.2284352 0.5463609), wk = 0.0031447 k( 231) = ( 0.5000000 0.2157443 0.5437853), wk = 0.0031447 k( 232) = ( 0.5000000 0.2030535 0.5412097), wk = 0.0031447 k( 233) = ( 0.5000000 0.1903626 0.5386341), wk = 0.0031447 k( 234) = ( 0.5000000 0.1776718 0.5360585), wk = 0.0031447 k( 235) = ( 0.5000000 0.1649809 0.5334829), wk = 0.0031447 k( 236) = ( 0.5000000 0.1522901 0.5309073), wk = 0.0031447 k( 237) = ( 0.5000000 0.1395993 0.5283317), wk = 0.0031447 k( 238) = ( 0.5000000 0.1269084 0.5257560), wk = 0.0031447 k( 239) = ( 0.5000000 0.1142176 0.5231804), wk = 0.0031447 k( 240) = ( 0.5000000 0.1015267 0.5206048), wk = 0.0031447 k( 241) = ( 0.5000000 0.0888359 0.5180292), wk = 0.0031447 k( 242) = ( 0.5000000 0.0761451 0.5154536), wk = 0.0031447 k( 243) = ( 0.5000000 0.0634542 0.5128780), wk = 0.0031447 k( 244) = ( 0.5000000 0.0507634 0.5103024), wk = 0.0031447 k( 245) = ( 0.5000000 0.0380725 0.5077268), wk = 0.0031447 k( 246) = ( 0.5000000 0.0253817 0.5051512), wk = 0.0031447 k( 247) = ( 0.5000000 0.0126908 0.5025756), wk = 0.0031447 k( 248) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031447 k( 249) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031447 k( 250) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0031447 k( 251) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0031447 k( 252) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0031447 k( 253) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0031447 k( 254) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0031447 k( 255) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0031447 k( 256) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0031447 k( 257) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0031447 k( 258) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0031447 k( 259) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0031447 k( 260) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0031447 k( 261) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0031447 k( 262) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0031447 k( 263) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0031447 k( 264) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0031447 k( 265) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0031447 k( 266) = ( 0.5000000 -0.0000000 0.2068966), wk = 0.0031447 k( 267) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0031447 k( 268) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0031447 k( 269) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0031447 k( 270) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0031447 k( 271) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0031447 k( 272) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0031447 k( 273) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0031447 k( 274) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0031447 k( 275) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0031447 k( 276) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0031447 k( 277) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0031447 k( 278) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031447 k( 279) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 280) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0031447 k( 281) = ( 0.0256410 -0.0000000 0.5000000), wk = 0.0031447 k( 282) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0031447 k( 283) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0031447 k( 284) = ( 0.0641026 -0.0000000 0.5000000), wk = 0.0031447 k( 285) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0031447 k( 286) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0031447 k( 287) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0031447 k( 288) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0031447 k( 289) = ( 0.1282051 -0.0000000 0.5000000), wk = 0.0031447 k( 290) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0031447 k( 291) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0031447 k( 292) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0031447 k( 293) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0031447 k( 294) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0031447 k( 295) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0031447 k( 296) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0031447 k( 297) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0031447 k( 298) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0031447 k( 299) = ( 0.2564103 -0.0000000 0.5000000), wk = 0.0031447 k( 300) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0031447 k( 301) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0031447 k( 302) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0031447 k( 303) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0031447 k( 304) = ( 0.3205128 0.0000000 0.5000000), wk = 0.0031447 k( 305) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0031447 k( 306) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0031447 k( 307) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0031447 k( 308) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0031447 k( 309) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0031447 k( 310) = ( 0.3974359 -0.0000000 0.5000000), wk = 0.0031447 k( 311) = ( 0.4102564 -0.0000000 0.5000000), wk = 0.0031447 k( 312) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0031447 k( 313) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0031447 k( 314) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0031447 k( 315) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0031447 k( 316) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0031447 k( 317) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0031447 k( 318) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031447 Dense grid: 25573 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 152, 44) NL pseudopotentials 0.16 Mb ( 76, 136) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 533) G-vector shells 0.00 Mb ( 491) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 152, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./AgI.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 41.3 secs Computing kpt #: 2 total cpu time spent up to now is 42.6 secs Computing kpt #: 3 total cpu time spent up to now is 43.8 secs Computing kpt #: 4 total cpu time spent up to now is 45.0 secs Computing kpt #: 5 total cpu time spent up to now is 46.1 secs Computing kpt #: 6 total cpu time spent up to now is 47.3 secs Computing kpt #: 7 total cpu time spent up to now is 48.5 secs Computing kpt #: 8 total cpu time spent up to now is 49.6 secs Computing kpt #: 9 total cpu time spent up to now is 50.8 secs Computing kpt #: 10 total cpu time spent up to now is 51.9 secs Computing kpt #: 11 total cpu time spent up to now is 53.3 secs Computing kpt #: 12 total cpu time spent up to now is 54.7 secs Computing kpt #: 13 total cpu time spent up to now is 56.2 secs Computing kpt #: 14 total cpu time spent up to now is 58.2 secs Computing kpt #: 15 total cpu time spent up to now is 60.1 secs Computing kpt #: 16 total cpu time spent up to now is 61.6 secs Computing kpt #: 17 total cpu time spent up to now is 63.0 secs Computing kpt #: 18 total cpu time spent up to now is 64.2 secs Computing kpt #: 19 total cpu time spent up to now is 65.3 secs Computing kpt #: 20 total cpu time spent up to now is 66.3 secs Computing kpt #: 21 total cpu time spent up to now is 67.3 secs Computing kpt #: 22 total cpu time spent up to now is 68.3 secs Computing kpt #: 23 total cpu time spent up to now is 69.3 secs Computing kpt #: 24 total cpu time spent up to now is 70.2 secs Computing kpt #: 25 total cpu time spent up to now is 71.2 secs Computing kpt #: 26 total cpu time spent up to now is 72.1 secs Computing kpt #: 27 total cpu time spent up to now is 73.2 secs Computing kpt #: 28 total cpu time spent up to now is 74.3 secs Computing kpt #: 29 total cpu time spent up to now is 75.3 secs Computing kpt #: 30 total cpu time spent up to now is 76.3 secs Computing kpt #: 31 total cpu time spent up to now is 77.3 secs Computing kpt #: 32 total cpu time spent up to now is 78.3 secs Computing kpt #: 33 total cpu time spent up to now is 79.5 secs Computing kpt #: 34 total cpu time spent up to now is 80.4 secs Computing kpt #: 35 total cpu time spent up to now is 81.3 secs Computing kpt #: 36 total cpu time spent up to now is 82.5 secs Computing kpt #: 37 total cpu time spent up to now is 83.6 secs Computing kpt #: 38 total cpu time spent up to now is 84.7 secs Computing kpt #: 39 total cpu time spent up to now is 85.8 secs Computing kpt #: 40 total cpu time spent up to now is 87.2 secs Computing kpt #: 41 total cpu time spent up to now is 88.5 secs Computing kpt #: 42 total cpu time spent up to now is 89.6 secs Computing kpt #: 43 total cpu time spent up to now is 91.2 secs Computing kpt #: 44 total cpu time spent up to now is 93.3 secs Computing kpt #: 45 total cpu time spent up to now is 94.7 secs Computing kpt #: 46 total cpu time spent up to now is 96.1 secs Computing kpt #: 47 total cpu time spent up to now is 97.2 secs Computing kpt #: 48 total cpu time spent up to now is 98.3 secs Computing kpt #: 49 total cpu time spent up to now is 99.6 secs Computing kpt #: 50 total cpu time spent up to now is 100.7 secs Computing kpt #: 51 total cpu time spent up to now is 101.8 secs Computing kpt #: 52 total cpu time spent up to now is 103.0 secs Computing kpt #: 53 total cpu time spent up to now is 104.2 secs Computing kpt #: 54 total cpu time spent up to now is 105.2 secs Computing kpt #: 55 total cpu time spent up to now is 106.3 secs Computing kpt #: 56 total cpu time spent up to now is 107.4 secs Computing kpt #: 57 total cpu time spent up to now is 108.4 secs Computing kpt #: 58 total cpu time spent up to now is 109.5 secs Computing kpt #: 59 total cpu time spent up to now is 111.0 secs Computing kpt #: 60 total cpu time spent up to now is 112.0 secs Computing kpt #: 61 total cpu time spent up to now is 113.7 secs Computing kpt #: 62 total cpu time spent up to now is 115.0 secs Computing kpt #: 63 total cpu time spent up to now is 116.4 secs Computing kpt #: 64 total cpu time spent up to now is 117.5 secs Computing kpt #: 65 total cpu time spent up to now is 119.1 secs Computing kpt #: 66 total cpu time spent up to now is 120.7 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 123.2 secs Computing kpt #: 69 total cpu time spent up to now is 124.1 secs Computing kpt #: 70 total cpu time spent up to now is 125.1 secs Computing kpt #: 71 total cpu time spent up to now is 126.4 secs Computing kpt #: 72 total cpu time spent up to now is 127.5 secs Computing kpt #: 73 total cpu time spent up to now is 128.6 secs Computing kpt #: 74 total cpu time spent up to now is 130.3 secs Computing kpt #: 75 total cpu time spent up to now is 131.3 secs Computing kpt #: 76 total cpu time spent up to now is 132.3 secs Computing kpt #: 77 total cpu time spent up to now is 133.3 secs Computing kpt #: 78 total cpu time spent up to now is 134.3 secs Computing kpt #: 79 total cpu time spent up to now is 135.3 secs Computing kpt #: 80 total cpu time spent up to now is 136.3 secs Computing kpt #: 81 total cpu time spent up to now is 137.3 secs Computing kpt #: 82 total cpu time spent up to now is 138.3 secs Computing kpt #: 83 total cpu time spent up to now is 139.3 secs Computing kpt #: 84 total cpu time spent up to now is 140.4 secs Computing kpt #: 85 total cpu time spent up to now is 141.4 secs Computing kpt #: 86 total cpu time spent up to now is 142.4 secs Computing kpt #: 87 total cpu time spent up to now is 143.4 secs Computing kpt #: 88 total cpu time spent up to now is 144.4 secs Computing kpt #: 89 total cpu time spent up to now is 145.6 secs Computing kpt #: 90 total cpu time spent up to now is 147.3 secs Computing kpt #: 91 total cpu time spent up to now is 148.7 secs Computing kpt #: 92 total cpu time spent up to now is 149.8 secs Computing kpt #: 93 total cpu time spent up to now is 150.8 secs Computing kpt #: 94 total cpu time spent up to now is 152.0 secs Computing kpt #: 95 total cpu time spent up to now is 153.4 secs Computing kpt #: 96 total cpu time spent up to now is 155.1 secs Computing kpt #: 97 total cpu time spent up to now is 156.2 secs Computing kpt #: 98 total cpu time spent up to now is 157.6 secs Computing kpt #: 99 total cpu time spent up to now is 158.9 secs Computing kpt #: 100 total cpu time spent up to now is 160.1 secs Computing kpt #: 101 total cpu time spent up to now is 161.3 secs Computing kpt #: 102 total cpu time spent up to now is 162.5 secs Computing kpt #: 103 total cpu time spent up to now is 163.8 secs Computing kpt #: 104 total cpu time spent up to now is 165.1 secs Computing kpt #: 105 total cpu time spent up to now is 166.1 secs Computing kpt #: 106 total cpu time spent up to now is 167.2 secs Computing kpt #: 107 total cpu time spent up to now is 168.3 secs Computing kpt #: 108 total cpu time spent up to now is 169.3 secs Computing kpt #: 109 total cpu time spent up to now is 170.3 secs Computing kpt #: 110 total cpu time spent up to now is 171.3 secs Computing kpt #: 111 total cpu time spent up to now is 172.3 secs Computing kpt #: 112 total cpu time spent up to now is 173.3 secs Computing kpt #: 113 total cpu time spent up to now is 174.3 secs Computing kpt #: 114 total cpu time spent up to now is 175.3 secs Computing kpt #: 115 total cpu time spent up to now is 176.3 secs Computing kpt #: 116 total cpu time spent up to now is 177.3 secs Computing kpt #: 117 total cpu time spent up to now is 178.2 secs Computing kpt #: 118 total cpu time spent up to now is 179.2 secs Computing kpt #: 119 total cpu time spent up to now is 180.2 secs Computing kpt #: 120 total cpu time spent up to now is 181.5 secs Computing kpt #: 121 total cpu time spent up to now is 183.8 secs Computing kpt #: 122 total cpu time spent up to now is 184.8 secs Computing kpt #: 123 total cpu time spent up to now is 185.7 secs Computing kpt #: 124 total cpu time spent up to now is 186.7 secs Computing kpt #: 125 total cpu time spent up to now is 188.5 secs Computing kpt #: 126 total cpu time spent up to now is 190.4 secs Computing kpt #: 127 total cpu time spent up to now is 194.0 secs Computing kpt #: 128 total cpu time spent up to now is 195.0 secs Computing kpt #: 129 total cpu time spent up to now is 195.9 secs Computing kpt #: 130 total cpu time spent up to now is 197.2 secs Computing kpt #: 131 total cpu time spent up to now is 198.4 secs Computing kpt #: 132 total cpu time spent up to now is 199.2 secs Computing kpt #: 133 total cpu time spent up to now is 200.0 secs Computing kpt #: 134 total cpu time spent up to now is 200.9 secs Computing kpt #: 135 total cpu time spent up to now is 201.8 secs Computing kpt #: 136 total cpu time spent up to now is 202.6 secs Computing kpt #: 137 total cpu time spent up to now is 203.4 secs Computing kpt #: 138 total cpu time spent up to now is 204.1 secs Computing kpt #: 139 total cpu time spent up to now is 204.9 secs Computing kpt #: 140 total cpu time spent up to now is 205.7 secs Computing kpt #: 141 total cpu time spent up to now is 206.5 secs Computing kpt #: 142 total cpu time spent up to now is 207.3 secs Computing kpt #: 143 total cpu time spent up to now is 208.1 secs Computing kpt #: 144 total cpu time spent up to now is 208.8 secs Computing kpt #: 145 total cpu time spent up to now is 209.6 secs Computing kpt #: 146 total cpu time spent up to now is 210.3 secs Computing kpt #: 147 total cpu time spent up to now is 211.0 secs Computing kpt #: 148 total cpu time spent up to now is 211.8 secs Computing kpt #: 149 total cpu time spent up to now is 212.6 secs Computing kpt #: 150 total cpu time spent up to now is 213.4 secs Computing kpt #: 151 total cpu time spent up to now is 214.2 secs Computing kpt #: 152 total cpu time spent up to now is 214.9 secs Computing kpt #: 153 total cpu time spent up to now is 215.7 secs Computing kpt #: 154 total cpu time spent up to now is 216.5 secs Computing kpt #: 155 total cpu time spent up to now is 217.3 secs Computing kpt #: 156 total cpu time spent up to now is 218.1 secs Computing kpt #: 157 total cpu time spent up to now is 218.9 secs Computing kpt #: 158 total cpu time spent up to now is 219.6 secs Computing kpt #: 159 total cpu time spent up to now is 220.5 secs Computing kpt #: 160 total cpu time spent up to now is 221.3 secs Computing kpt #: 161 total cpu time spent up to now is 222.2 secs Computing kpt #: 162 total cpu time spent up to now is 223.1 secs Computing kpt #: 163 total cpu time spent up to now is 224.5 secs Computing kpt #: 164 total cpu time spent up to now is 226.0 secs Computing kpt #: 165 total cpu time spent up to now is 227.0 secs Computing kpt #: 166 total cpu time spent up to now is 227.9 secs Computing kpt #: 167 total cpu time spent up to now is 228.9 secs Computing kpt #: 168 total cpu time spent up to now is 230.7 secs Computing kpt #: 169 total cpu time spent up to now is 233.5 secs Computing kpt #: 170 total cpu time spent up to now is 236.3 secs Computing kpt #: 171 total cpu time spent up to now is 239.8 secs Computing kpt #: 172 total cpu time spent up to now is 241.5 secs Computing kpt #: 173 total cpu time spent up to now is 242.6 secs Computing kpt #: 174 total cpu time spent up to now is 243.6 secs Computing kpt #: 175 total cpu time spent up to now is 244.6 secs Computing kpt #: 176 total cpu time spent up to now is 245.7 secs Computing kpt #: 177 total cpu time spent up to now is 246.7 secs Computing kpt #: 178 total cpu time spent up to now is 247.8 secs Computing kpt #: 179 total cpu time spent up to now is 248.8 secs Computing kpt #: 180 total cpu time spent up to now is 249.8 secs Computing kpt #: 181 total cpu time spent up to now is 250.8 secs Computing kpt #: 182 total cpu time spent up to now is 251.7 secs Computing kpt #: 183 total cpu time spent up to now is 252.6 secs Computing kpt #: 184 total cpu time spent up to now is 253.7 secs Computing kpt #: 185 total cpu time spent up to now is 254.7 secs Computing kpt #: 186 total cpu time spent up to now is 255.8 secs Computing kpt #: 187 total cpu time spent up to now is 256.9 secs Computing kpt #: 188 total cpu time spent up to now is 258.0 secs Computing kpt #: 189 total cpu time spent up to now is 259.1 secs Computing kpt #: 190 total cpu time spent up to now is 260.3 secs Computing kpt #: 191 total cpu time spent up to now is 261.4 secs Computing kpt #: 192 total cpu time spent up to now is 262.5 secs Computing kpt #: 193 total cpu time spent up to now is 263.6 secs Computing kpt #: 194 total cpu time spent up to now is 264.7 secs Computing kpt #: 195 total cpu time spent up to now is 267.5 secs Computing kpt #: 196 total cpu time spent up to now is 269.0 secs Computing kpt #: 197 total cpu time spent up to now is 270.3 secs Computing kpt #: 198 total cpu time spent up to now is 271.4 secs Computing kpt #: 199 total cpu time spent up to now is 272.6 secs Computing kpt #: 200 total cpu time spent up to now is 273.8 secs Computing kpt #: 201 total cpu time spent up to now is 274.9 secs Computing kpt #: 202 total cpu time spent up to now is 275.9 secs Computing kpt #: 203 total cpu time spent up to now is 278.1 secs Computing kpt #: 204 total cpu time spent up to now is 279.2 secs Computing kpt #: 205 total cpu time spent up to now is 283.4 secs Computing kpt #: 206 total cpu time spent up to now is 284.4 secs Computing kpt #: 207 total cpu time spent up to now is 285.4 secs Computing kpt #: 208 total cpu time spent up to now is 286.4 secs Computing kpt #: 209 total cpu time spent up to now is 287.5 secs Computing kpt #: 210 total cpu time spent up to now is 288.6 secs Computing kpt #: 211 total cpu time spent up to now is 289.6 secs Computing kpt #: 212 total cpu time spent up to now is 290.6 secs Computing kpt #: 213 total cpu time spent up to now is 291.6 secs Computing kpt #: 214 total cpu time spent up to now is 292.6 secs Computing kpt #: 215 total cpu time spent up to now is 293.5 secs Computing kpt #: 216 total cpu time spent up to now is 294.5 secs Computing kpt #: 217 total cpu time spent up to now is 295.5 secs Computing kpt #: 218 total cpu time spent up to now is 296.4 secs Computing kpt #: 219 total cpu time spent up to now is 297.4 secs Computing kpt #: 220 total cpu time spent up to now is 298.2 secs Computing kpt #: 221 total cpu time spent up to now is 299.1 secs Computing kpt #: 222 total cpu time spent up to now is 300.0 secs Computing kpt #: 223 total cpu time spent up to now is 300.8 secs Computing kpt #: 224 total cpu time spent up to now is 301.7 secs Computing kpt #: 225 total cpu time spent up to now is 302.6 secs Computing kpt #: 226 total cpu time spent up to now is 303.5 secs Computing kpt #: 227 total cpu time spent up to now is 304.3 secs Computing kpt #: 228 total cpu time spent up to now is 305.2 secs Computing kpt #: 229 total cpu time spent up to now is 306.0 secs Computing kpt #: 230 total cpu time spent up to now is 306.8 secs Computing kpt #: 231 total cpu time spent up to now is 308.0 secs Computing kpt #: 232 total cpu time spent up to now is 309.2 secs Computing kpt #: 233 total cpu time spent up to now is 310.2 secs Computing kpt #: 234 total cpu time spent up to now is 311.1 secs Computing kpt #: 235 total cpu time spent up to now is 312.2 secs Computing kpt #: 236 total cpu time spent up to now is 314.4 secs Computing kpt #: 237 total cpu time spent up to now is 315.3 secs Computing kpt #: 238 total cpu time spent up to now is 316.3 secs Computing kpt #: 239 total cpu time spent up to now is 319.3 secs Computing kpt #: 240 total cpu time spent up to now is 323.5 secs Computing kpt #: 241 total cpu time spent up to now is 324.9 secs Computing kpt #: 242 total cpu time spent up to now is 327.1 secs Computing kpt #: 243 total cpu time spent up to now is 328.1 secs Computing kpt #: 244 total cpu time spent up to now is 329.3 secs Computing kpt #: 245 total cpu time spent up to now is 330.5 secs Computing kpt #: 246 total cpu time spent up to now is 331.6 secs Computing kpt #: 247 total cpu time spent up to now is 332.7 secs Computing kpt #: 248 total cpu time spent up to now is 333.8 secs Computing kpt #: 249 total cpu time spent up to now is 334.8 secs Computing kpt #: 250 total cpu time spent up to now is 335.9 secs Computing kpt #: 251 total cpu time spent up to now is 337.0 secs Computing kpt #: 252 total cpu time spent up to now is 338.2 secs Computing kpt #: 253 total cpu time spent up to now is 339.2 secs Computing kpt #: 254 total cpu time spent up to now is 340.2 secs Computing kpt #: 255 total cpu time spent up to now is 341.3 secs Computing kpt #: 256 total cpu time spent up to now is 342.3 secs Computing kpt #: 257 total cpu time spent up to now is 343.3 secs Computing kpt #: 258 total cpu time spent up to now is 344.3 secs Computing kpt #: 259 total cpu time spent up to now is 345.3 secs Computing kpt #: 260 total cpu time spent up to now is 346.3 secs Computing kpt #: 261 total cpu time spent up to now is 347.3 secs Computing kpt #: 262 total cpu time spent up to now is 348.2 secs Computing kpt #: 263 total cpu time spent up to now is 349.7 secs Computing kpt #: 264 total cpu time spent up to now is 351.8 secs Computing kpt #: 265 total cpu time spent up to now is 354.5 secs Computing kpt #: 266 total cpu time spent up to now is 355.6 secs Computing kpt #: 267 total cpu time spent up to now is 356.4 secs Computing kpt #: 268 total cpu time spent up to now is 357.3 secs Computing kpt #: 269 total cpu time spent up to now is 358.2 secs Computing kpt #: 270 total cpu time spent up to now is 359.1 secs Computing kpt #: 271 total cpu time spent up to now is 360.5 secs Computing kpt #: 272 total cpu time spent up to now is 362.8 secs Computing kpt #: 273 total cpu time spent up to now is 366.4 secs Computing kpt #: 274 total cpu time spent up to now is 369.1 secs Computing kpt #: 275 total cpu time spent up to now is 370.2 secs Computing kpt #: 276 total cpu time spent up to now is 371.1 secs Computing kpt #: 277 total cpu time spent up to now is 372.1 secs Computing kpt #: 278 total cpu time spent up to now is 373.1 secs Computing kpt #: 279 total cpu time spent up to now is 374.0 secs Computing kpt #: 280 total cpu time spent up to now is 374.8 secs Computing kpt #: 281 total cpu time spent up to now is 375.7 secs Computing kpt #: 282 total cpu time spent up to now is 376.6 secs Computing kpt #: 283 total cpu time spent up to now is 377.5 secs Computing kpt #: 284 total cpu time spent up to now is 378.5 secs Computing kpt #: 285 total cpu time spent up to now is 379.4 secs Computing kpt #: 286 total cpu time spent up to now is 380.4 secs Computing kpt #: 287 total cpu time spent up to now is 381.5 secs Computing kpt #: 288 total cpu time spent up to now is 382.5 secs Computing kpt #: 289 total cpu time spent up to now is 383.5 secs Computing kpt #: 290 total cpu time spent up to now is 384.8 secs Computing kpt #: 291 total cpu time spent up to now is 385.8 secs Computing kpt #: 292 total cpu time spent up to now is 386.9 secs Computing kpt #: 293 total cpu time spent up to now is 387.9 secs Computing kpt #: 294 total cpu time spent up to now is 388.7 secs Computing kpt #: 295 total cpu time spent up to now is 389.6 secs Computing kpt #: 296 total cpu time spent up to now is 390.5 secs Computing kpt #: 297 total cpu time spent up to now is 391.7 secs Computing kpt #: 298 total cpu time spent up to now is 392.7 secs Computing kpt #: 299 total cpu time spent up to now is 395.3 secs Computing kpt #: 300 total cpu time spent up to now is 396.5 secs Computing kpt #: 301 total cpu time spent up to now is 397.6 secs Computing kpt #: 302 total cpu time spent up to now is 398.6 secs Computing kpt #: 303 total cpu time spent up to now is 399.5 secs Computing kpt #: 304 total cpu time spent up to now is 400.6 secs Computing kpt #: 305 total cpu time spent up to now is 401.7 secs Computing kpt #: 306 total cpu time spent up to now is 402.9 secs Computing kpt #: 307 total cpu time spent up to now is 404.2 secs Computing kpt #: 308 total cpu time spent up to now is 405.5 secs Computing kpt #: 309 total cpu time spent up to now is 408.1 secs Computing kpt #: 310 total cpu time spent up to now is 410.8 secs Computing kpt #: 311 total cpu time spent up to now is 412.0 secs Computing kpt #: 312 total cpu time spent up to now is 413.1 secs Computing kpt #: 313 total cpu time spent up to now is 414.2 secs Computing kpt #: 314 total cpu time spent up to now is 415.3 secs Computing kpt #: 315 total cpu time spent up to now is 416.4 secs Computing kpt #: 316 total cpu time spent up to now is 417.5 secs Computing kpt #: 317 total cpu time spent up to now is 418.5 secs Computing kpt #: 318 total cpu time spent up to now is 419.7 secs ethr = 2.78E-11, avg # of iterations = 24.6 total cpu time spent up to now is 419.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3261 PWs) bands (ev): -4.4873 -4.4873 -3.0085 -3.0085 4.0785 4.0785 5.1111 5.1111 5.3194 5.3194 5.3686 5.3686 5.6924 5.6924 5.7618 5.7618 5.9046 5.9046 5.9329 5.9329 6.3027 6.3027 6.3310 6.3310 6.5769 6.5769 6.7431 6.7431 7.5147 7.5147 7.5216 7.5216 8.3672 8.3672 8.8761 8.8761 11.0861 11.0861 11.4504 11.4504 14.7823 14.7823 17.2837 17.2837 k = 0.0000 0.0000 0.0126 ( 3258 PWs) bands (ev): -4.4865 -4.4865 -3.0093 -3.0093 4.0771 4.0771 5.1108 5.1108 5.3186 5.3186 5.3693 5.3693 5.6906 5.6906 5.7620 5.7620 5.9047 5.9047 5.9338 5.9338 6.2804 6.2804 6.3482 6.3482 6.5772 6.5772 6.7483 6.7483 7.4978 7.4978 7.5410 7.5410 8.3669 8.3669 8.8752 8.8752 11.0792 11.0792 11.4648 11.4648 14.7828 14.7828 17.2818 17.2818 k = 0.0000 0.0000 0.0252 ( 3253 PWs) bands (ev): -4.4842 -4.4842 -3.0117 -3.0117 4.0730 4.0730 5.1099 5.1099 5.3163 5.3163 5.3712 5.3712 5.6855 5.6855 5.7622 5.7622 5.9049 5.9049 5.9361 5.9361 6.2454 6.2454 6.3674 6.3674 6.5803 6.5803 6.7627 6.7627 7.4807 7.4807 7.5656 7.5656 8.3661 8.3661 8.8726 8.8726 11.0619 11.0619 11.5046 11.5046 14.7843 14.7843 17.2761 17.2761 k = 0.0000 0.0000 0.0378 ( 3254 PWs) bands (ev): -4.4803 -4.4803 -3.0157 -3.0157 4.0663 4.0663 5.1083 5.1083 5.3128 5.3128 5.3738 5.3738 5.6772 5.6772 5.7620 5.7620 5.9055 5.9055 5.9394 5.9394 6.2081 6.2081 6.3773 6.3773 6.5899 6.5899 6.7837 6.7837 7.4663 7.4663 7.5919 7.5919 8.3647 8.3647 8.8682 8.8682 11.0408 11.0408 11.5632 11.5632 14.7868 14.7868 17.2666 17.2666 k = 0.0000 0.0000 0.0504 ( 3254 PWs) bands (ev): -4.4749 -4.4749 -3.0213 -3.0213 4.0573 4.0573 5.1061 5.1061 5.3085 5.3085 5.3767 5.3767 5.6661 5.6661 5.7613 5.7613 5.9066 5.9066 5.9429 5.9429 6.1707 6.1707 6.3771 6.3771 6.6079 6.6079 6.8090 6.8090 7.4549 7.4549 7.6196 7.6196 8.3628 8.3628 8.8620 8.8620 11.0213 11.0213 11.6351 11.6351 14.7902 14.7902 17.2534 17.2534 k = 0.0000 0.0000 0.0630 ( 3254 PWs) bands (ev): -4.4680 -4.4680 -3.0285 -3.0285 4.0464 4.0464 5.1033 5.1033 5.3036 5.3036 5.3794 5.3794 5.6520 5.6520 5.7598 5.7598 5.9079 5.9079 5.9454 5.9454 6.1357 6.1357 6.3691 6.3691 6.6334 6.6334 6.8368 6.8368 7.4466 7.4466 7.6479 7.6479 8.3606 8.3606 8.8541 8.8541 11.0069 11.0069 11.7168 11.7168 14.7946 14.7946 17.2366 17.2366 k = 0.0000 0.0000 0.0756 ( 3260 PWs) bands (ev): -4.4597 -4.4597 -3.0372 -3.0372 4.0339 4.0339 5.0997 5.0997 5.2982 5.2982 5.3815 5.3815 5.6348 5.6348 5.7575 5.7575 5.9091 5.9091 5.9451 5.9451 6.1059 6.1059 6.3561 6.3561 6.6636 6.6636 6.8663 6.8663 7.4413 7.4413 7.6764 7.6764 8.3581 8.3581 8.8445 8.8445 10.9999 10.9999 11.8059 11.8059 14.7999 14.7999 17.2164 17.2164 k = 0.0000 0.0000 0.0882 ( 3257 PWs) bands (ev): -4.4499 -4.4499 -3.0473 -3.0473 4.0203 4.0203 5.0954 5.0954 5.2924 5.2924 5.3826 5.3826 5.6145 5.6145 5.7548 5.7548 5.9084 5.9084 5.9412 5.9412 6.0846 6.0846 6.3409 6.3409 6.6965 6.6965 6.8968 6.8968 7.4389 7.4389 7.7044 7.7044 8.3554 8.3554 8.8332 8.8332 11.0015 11.0015 11.9009 11.9009 14.8061 14.8061 17.1930 17.1930 k = 0.0000 0.0000 0.1007 ( 3253 PWs) bands (ev): -4.4387 -4.4387 -3.0590 -3.0590 4.0061 4.0061 5.0902 5.0902 5.2862 5.2862 5.3822 5.3822 5.5909 5.5909 5.7517 5.7517 5.9017 5.9017 5.9368 5.9368 6.0736 6.0736 6.3248 6.3248 6.7304 6.7304 6.9282 6.9282 7.4394 7.4394 7.7315 7.7315 8.3527 8.3527 8.8202 8.8202 11.0128 11.0128 12.0005 12.0005 14.8133 14.8133 17.1664 17.1664 k = 0.0000 0.0000 0.1133 ( 3259 PWs) bands (ev): -4.4262 -4.4262 -3.0720 -3.0720 3.9917 3.9917 5.0840 5.0840 5.2793 5.2793 5.3797 5.3797 5.5646 5.5646 5.7485 5.7485 5.8864 5.8864 5.9365 5.9365 6.0714 6.0714 6.3087 6.3087 6.7640 6.7640 6.9602 6.9602 7.4425 7.4425 7.7573 7.7573 8.3501 8.3501 8.8056 8.8056 11.0344 11.0344 12.1037 12.1037 14.8213 14.8213 17.1370 17.1370 k = 0.0000 0.0000 0.1259 ( 3256 PWs) bands (ev): -4.4124 -4.4124 -3.0863 -3.0863 3.9776 3.9776 5.0765 5.0765 5.2716 5.2716 5.3744 5.3744 5.5368 5.5368 5.7452 5.7452 5.8667 5.8667 5.9396 5.9396 6.0748 6.0748 6.2934 6.2934 6.7965 6.7965 6.9930 6.9930 7.4480 7.4480 7.7814 7.7814 8.3478 8.3478 8.7894 8.7894 11.0668 11.0668 12.2097 12.2097 14.8302 14.8302 17.1046 17.1046 k = 0.0000 0.0000 0.1385 ( 3258 PWs) bands (ev): -4.3975 -4.3975 -3.1018 -3.1018 3.9642 3.9642 5.0673 5.0673 5.2626 5.2626 5.3654 5.3654 5.5095 5.5095 5.7415 5.7415 5.8471 5.8471 5.9443 5.9443 6.0811 6.0811 6.2791 6.2791 6.8272 6.8272 7.0265 7.0265 7.4557 7.4557 7.8036 7.8036 8.3459 8.3459 8.7716 8.7716 11.1101 11.1101 12.3175 12.3175 14.8400 14.8400 17.0688 17.0688 k = 0.0000 0.0000 0.1511 ( 3262 PWs) bands (ev): -4.3815 -4.3815 -3.1186 -3.1186 3.9519 3.9519 5.0557 5.0557 5.2515 5.2515 5.3524 5.3524 5.4855 5.4855 5.7371 5.7371 5.8301 5.8301 5.9498 5.9498 6.0886 6.0886 6.2662 6.2662 6.8559 6.8559 7.0605 7.0605 7.4651 7.4651 7.8238 7.8238 8.3444 8.3444 8.7524 8.7524 11.1645 11.1645 12.4265 12.4265 14.8505 14.8505 17.0285 17.0285 k = 0.0000 0.0000 0.1637 ( 3262 PWs) bands (ev): -4.3645 -4.3645 -3.1363 -3.1363 3.9411 3.9411 5.0407 5.0407 5.2375 5.2375 5.3365 5.3365 5.4663 5.4663 5.7314 5.7314 5.8168 5.8168 5.9559 5.9559 6.0963 6.0963 6.2549 6.2549 6.8823 6.8823 7.0947 7.0947 7.4759 7.4759 7.8422 7.8422 8.3434 8.3434 8.7318 8.7318 11.2300 11.2300 12.5357 12.5357 14.8619 14.8619 16.9804 16.9804 k = 0.0000 0.0000 0.1763 ( 3266 PWs) bands (ev): -4.3466 -4.3466 -3.1550 -3.1550 3.9320 3.9320 5.0210 5.0210 5.2202 5.2202 5.3204 5.3204 5.4519 5.4519 5.7240 5.7240 5.8078 5.8078 5.9622 5.9622 6.1033 6.1033 6.2453 6.2453 6.9066 6.9066 7.1285 7.1285 7.4879 7.4879 7.8589 7.8589 8.3429 8.3429 8.7099 8.7099 11.3064 11.3064 12.6443 12.6443 14.8740 14.8740 16.9146 16.9146 k = 0.0000 0.0000 0.1889 ( 3266 PWs) bands (ev): -4.3280 -4.3280 -3.1744 -3.1744 3.9249 3.9249 4.9953 4.9953 5.2009 5.2009 5.3068 5.3068 5.4411 5.4411 5.7149 5.7149 5.8028 5.8028 5.9688 5.9688 6.1090 6.1090 6.2376 6.2376 6.9292 6.9292 7.1611 7.1611 7.5008 7.5008 7.8745 7.8745 8.3428 8.3428 8.6868 8.6868 11.3934 11.3934 12.7514 12.7514 14.8868 14.8868 16.8034 16.8034 k = 0.0000 0.0000 0.2015 ( 3266 PWs) bands (ev): -4.3088 -4.3088 -3.1945 -3.1945 3.9200 3.9200 4.9627 4.9627 5.1819 5.1819 5.2960 5.2960 5.4326 5.4326 5.7047 5.7047 5.8011 5.8011 5.9756 5.9756 6.1131 6.1131 6.2319 6.2319 6.9503 6.9503 7.1918 7.1918 7.5145 7.5145 7.8891 7.8891 8.3430 8.3430 8.6626 8.6626 11.4907 11.4907 12.8563 12.8563 14.9003 14.9003 16.6282 16.6282 k = 0.0000 0.0000 0.2141 ( 3272 PWs) bands (ev): -4.2892 -4.2892 -3.2150 -3.2150 3.9174 3.9174 4.9236 4.9236 5.1652 5.1652 5.2878 5.2878 5.4255 5.4255 5.6940 5.6940 5.8016 5.8016 5.9825 5.9825 6.1154 6.1154 6.2283 6.2283 6.9703 6.9703 7.2193 7.2193 7.5290 7.5290 7.9034 7.9034 8.3435 8.3435 8.6374 8.6374 11.5978 11.5978 12.9580 12.9580 14.9144 14.9144 16.4187 16.4187 k = 0.0000 0.0000 0.2267 ( 3270 PWs) bands (ev): -4.2694 -4.2694 -3.2357 -3.2357 3.9173 3.9173 4.8794 4.8794 5.1515 5.1515 5.2814 5.2814 5.4194 5.4194 5.6833 5.6833 5.8037 5.8037 5.9895 5.9895 6.1159 6.1159 6.2265 6.2265 6.9896 6.9896 7.2429 7.2429 7.5445 7.5445 7.9177 7.9177 8.3442 8.3442 8.6115 8.6115 11.7140 11.7140 13.0555 13.0555 14.9291 14.9291 16.1978 16.1978 k = 0.0000 0.0000 0.2393 ( 3272 PWs) bands (ev): -4.2497 -4.2497 -3.2563 -3.2563 3.9196 3.9196 4.8318 4.8318 5.1407 5.1407 5.2763 5.2763 5.4138 5.4138 5.6730 5.6730 5.8067 5.8067 5.9964 5.9964 6.1147 6.1147 6.2261 6.2261 7.0085 7.0085 7.2616 7.2616 7.5612 7.5612 7.9323 7.9323 8.3449 8.3449 8.5849 8.5849 11.8387 11.8387 13.1481 13.1481 14.9442 14.9442 15.9738 15.9738 k = 0.0000 0.0000 0.2519 ( 3265 PWs) bands (ev): -4.2301 -4.2301 -3.2767 -3.2767 3.9243 3.9243 4.7827 4.7827 5.1321 5.1321 5.2721 5.2721 5.4088 5.4088 5.6633 5.6633 5.8103 5.8103 6.0034 6.0034 6.1123 6.1123 6.2268 6.2268 7.0273 7.0273 7.2749 7.2749 7.5789 7.5789 7.9475 7.9475 8.3456 8.3456 8.5579 8.5579 11.9712 11.9712 13.2346 13.2346 14.9594 14.9594 15.7504 15.7504 k = 0.0000 0.0000 0.2645 ( 3263 PWs) bands (ev): -4.2112 -4.2112 -3.2965 -3.2965 3.9312 3.9312 4.7335 4.7335 5.1253 5.1253 5.2687 5.2687 5.4043 5.4043 5.6544 5.6544 5.8142 5.8142 6.0103 6.0103 6.1089 6.1089 6.2281 6.2281 7.0461 7.0461 7.2825 7.2825 7.5976 7.5976 7.9631 7.9631 8.3463 8.3463 8.5308 8.5308 12.1105 12.1105 13.3144 13.3144 14.9742 14.9742 15.5299 15.5299 k = 0.0000 0.0000 0.2771 ( 3259 PWs) bands (ev): -4.1932 -4.1932 -3.3153 -3.3153 3.9401 3.9401 4.6855 4.6855 5.1198 5.1198 5.2658 5.2658 5.4002 5.4002 5.6464 5.6464 5.8181 5.8181 6.0172 6.0172 6.1048 6.1048 6.2297 6.2297 7.0651 7.0651 7.2848 7.2848 7.6167 7.6167 7.9792 7.9792 8.3469 8.3469 8.5039 8.5039 12.2554 12.2554 13.3865 13.3865 14.9871 14.9871 15.3154 15.3154 k = 0.0000 0.0000 0.2896 ( 3266 PWs) bands (ev): -4.1764 -4.1764 -3.3328 -3.3328 3.9506 3.9506 4.6400 4.6400 5.1154 5.1154 5.2634 5.2634 5.3965 5.3965 5.6393 5.6393 5.8217 5.8217 6.0239 6.0239 6.1003 6.1003 6.2312 6.2312 7.0842 7.0842 7.2822 7.2822 7.6354 7.6354 7.9956 7.9956 8.3474 8.3474 8.4777 8.4777 12.4043 12.4043 13.4501 13.4501 14.9876 14.9876 15.1188 15.1188 k = 0.0000 0.0000 0.3022 ( 3270 PWs) bands (ev): -4.1612 -4.1612 -3.3486 -3.3486 3.9620 3.9620 4.5980 4.5980 5.1119 5.1119 5.2615 5.2615 5.3933 5.3933 5.6332 5.6332 5.8251 5.8251 6.0305 6.0305 6.0956 6.0956 6.2326 6.2326 7.1036 7.1036 7.2754 7.2754 7.6530 7.6530 8.0117 8.0117 8.3480 8.3480 8.4526 8.4526 12.5552 12.5552 13.5043 13.5043 14.8760 14.8760 15.0418 15.0418 k = 0.0000 0.0000 0.3148 ( 3265 PWs) bands (ev): -4.1480 -4.1480 -3.3623 -3.3623 3.9738 3.9738 4.5609 4.5609 5.1092 5.1092 5.2600 5.2600 5.3907 5.3907 5.6282 5.6282 5.8280 5.8280 6.0368 6.0368 6.0908 6.0908 6.2339 6.2339 7.1231 7.1231 7.2653 7.2653 7.6685 7.6685 8.0271 8.0271 8.3487 8.3487 8.4294 8.4294 12.7045 12.7045 13.5483 13.5483 14.6941 14.6941 15.0458 15.0458 k = 0.0000 0.0000 0.3274 ( 3267 PWs) bands (ev): -4.1373 -4.1373 -3.3734 -3.3734 3.9848 3.9848 4.5298 4.5298 5.1072 5.1072 5.2589 5.2589 5.3886 5.3886 5.6242 5.6242 5.8304 5.8304 6.0428 6.0428 6.0859 6.0859 6.2349 6.2349 7.1426 7.1426 7.2524 7.2524 7.6814 7.6814 8.0409 8.0409 8.3497 8.3497 8.4089 8.4089 12.8466 12.8466 13.5814 13.5814 14.5235 14.5235 15.0545 15.0545 k = 0.0000 0.0000 0.3400 ( 3263 PWs) bands (ev): -4.1293 -4.1293 -3.3817 -3.3817 3.9939 3.9939 4.5062 4.5062 5.1058 5.1058 5.2581 5.2581 5.3870 5.3870 5.6213 5.6213 5.8321 5.8321 6.0481 6.0481 6.0814 6.0814 6.2356 6.2356 7.1618 7.1618 7.2377 7.2377 7.6910 7.6910 8.0520 8.0520 8.3511 8.3511 8.3922 8.3922 12.9716 12.9716 13.6028 13.6028 14.3799 14.3799 15.0621 15.0621 k = 0.0000 0.0000 0.3526 ( 3265 PWs) bands (ev): -4.1244 -4.1244 -3.3868 -3.3868 4.0000 4.0000 4.4913 4.4913 5.1049 5.1049 5.2576 5.2576 5.3861 5.3861 5.6196 5.6196 5.8332 5.8332 6.0521 6.0521 6.0778 6.0778 6.2360 6.2360 7.1801 7.1801 7.2220 7.2220 7.6969 7.6969 8.0594 8.0594 8.3529 8.3529 8.3805 8.3805 13.0625 13.0625 13.6131 13.6131 14.2802 14.2802 15.0670 15.0670 k = 0.0000 0.0000 0.3652 ( 3268 PWs) bands (ev): -4.1228 -4.1228 -3.3885 -3.3885 4.0021 4.0021 4.4862 4.4862 5.1046 5.1046 5.2574 5.2574 5.3858 5.3858 5.6191 5.6191 5.8335 5.8335 6.0538 6.0538 6.0763 6.0763 6.2362 6.2362 7.1916 7.1916 7.2113 7.2113 7.6989 7.6989 8.0619 8.0619 8.3540 8.3540 8.3760 8.3760 13.0969 13.0969 13.6156 13.6156 14.2439 14.2439 15.0687 15.0687 k = 0.0000 0.0000 0.3652 ( 3268 PWs) bands (ev): -4.1228 -4.1228 -3.3885 -3.3885 4.0021 4.0021 4.4862 4.4862 5.1046 5.1046 5.2574 5.2574 5.3858 5.3858 5.6191 5.6191 5.8335 5.8335 6.0538 6.0538 6.0763 6.0763 6.2362 6.2362 7.1916 7.1916 7.2113 7.2113 7.6989 7.6989 8.0619 8.0619 8.3540 8.3540 8.3760 8.3760 13.0969 13.0969 13.6156 13.6156 14.2439 14.2439 15.0687 15.0687 k = 0.0000 0.0127 0.3652 ( 3259 PWs) bands (ev): -4.1220 -4.1220 -3.3881 -3.3881 4.0024 4.0024 4.4830 4.4830 5.1041 5.1041 5.2563 5.2563 5.3852 5.3852 5.6177 5.6177 5.8341 5.8341 6.0510 6.0510 6.0781 6.0781 6.2365 6.2365 7.1466 7.1466 7.2524 7.2524 7.7001 7.7001 8.0603 8.0603 8.2944 8.2944 8.4468 8.4468 13.1003 13.1003 13.6180 13.6180 14.2402 14.2402 15.0697 15.0697 k = 0.0000 0.0254 0.3652 ( 3262 PWs) bands (ev): -4.1195 -4.1195 -3.3870 -3.3870 4.0032 4.0032 4.4734 4.4734 5.1022 5.1022 5.2530 5.2530 5.3834 5.3834 5.6138 5.6138 5.8357 5.8357 6.0442 6.0442 6.0817 6.0817 6.2374 6.2374 7.0914 7.0914 7.2951 7.2951 7.7036 7.7036 8.0545 8.0545 8.2430 8.2430 8.5336 8.5336 13.1103 13.1103 13.6249 13.6249 14.2293 14.2293 15.0728 15.0728 k = 0.0000 0.0381 0.3652 ( 3262 PWs) bands (ev): -4.1155 -4.1155 -3.3851 -3.3851 4.0045 4.0045 4.4575 4.4575 5.0990 5.0990 5.2479 5.2479 5.3802 5.3802 5.6072 5.6072 5.8382 5.8382 6.0352 6.0352 6.0857 6.0857 6.2390 6.2390 7.0355 7.0355 7.3261 7.3261 7.7098 7.7098 8.0446 8.0446 8.2154 8.2154 8.6239 8.6239 13.1268 13.1268 13.6362 13.6362 14.2110 14.2110 15.0789 15.0789 k = 0.0000 0.0508 0.3652 ( 3269 PWs) bands (ev): -4.1098 -4.1098 -3.3825 -3.3825 4.0062 4.0062 4.4356 4.4356 5.0941 5.0941 5.2412 5.2412 5.3754 5.3754 5.5978 5.5978 5.8414 5.8414 6.0250 6.0250 6.0897 6.0897 6.2410 6.2410 6.9799 6.9799 7.3389 7.3389 7.7209 7.7209 8.0365 8.0365 8.2109 8.2109 8.7153 8.7153 13.1494 13.1494 13.6513 13.6513 14.1855 14.1855 15.0888 15.0888 k = 0.0000 0.0635 0.3652 ( 3271 PWs) bands (ev): -4.1026 -4.1026 -3.3791 -3.3791 4.0083 4.0083 4.4081 4.4081 5.0874 5.0874 5.2336 5.2336 5.3688 5.3688 5.5855 5.5855 5.8452 5.8452 6.0143 6.0143 6.0935 6.0935 6.2434 6.2434 6.9256 6.9256 7.3281 7.3281 7.7407 7.7407 8.0387 8.0387 8.2231 8.2231 8.8065 8.8065 13.1775 13.1775 13.6698 13.6698 14.1534 14.1534 15.1037 15.1037 k = 0.0000 0.0762 0.3652 ( 3269 PWs) bands (ev): -4.0938 -4.0938 -3.3751 -3.3751 4.0106 4.0106 4.3754 4.3754 5.0785 5.0785 5.2254 5.2254 5.3601 5.3601 5.5701 5.5701 5.8494 5.8494 6.0037 6.0037 6.0971 6.0971 6.2463 6.2463 6.8730 6.8730 7.2937 7.2937 7.7713 7.7713 8.0546 8.0546 8.2466 8.2466 8.8965 8.8965 13.2102 13.2102 13.6903 13.6903 14.1159 14.1159 15.1246 15.1246 k = 0.0000 0.0889 0.3652 ( 3265 PWs) bands (ev): -4.0834 -4.0834 -3.3705 -3.3705 4.0129 4.0129 4.3383 4.3383 5.0673 5.0673 5.2170 5.2170 5.3492 5.3492 5.5514 5.5514 5.8537 5.8537 5.9938 5.9938 6.1005 6.1005 6.2495 6.2495 6.8226 6.8226 7.2415 7.2415 7.8114 7.8114 8.0826 8.0826 8.2787 8.2787 8.9845 8.9845 13.2465 13.2465 13.7110 13.7110 14.0757 14.0757 15.1522 15.1522 k = 0.0000 0.1016 0.3652 ( 3271 PWs) bands (ev): -4.0715 -4.0715 -3.3652 -3.3652 4.0146 4.0146 4.2975 4.2975 5.0538 5.0538 5.2086 5.2086 5.3357 5.3357 5.5292 5.5292 5.8580 5.8580 5.9849 5.9849 6.1036 6.1036 6.2529 6.2529 6.7745 6.7745 7.1784 7.1784 7.8583 7.8583 8.1200 8.1200 8.3178 8.3178 9.0700 9.0700 13.2845 13.2845 13.7289 13.7289 14.0371 14.0371 15.1869 15.1869 k = 0.0000 0.1142 0.3652 ( 3267 PWs) bands (ev): -4.0581 -4.0581 -3.3595 -3.3595 4.0150 4.0150 4.2543 4.2543 5.0381 5.0381 5.2003 5.2003 5.3198 5.3198 5.5032 5.5032 5.8624 5.8624 5.9774 5.9774 6.1066 6.1066 6.2565 6.2565 6.7290 6.7290 7.1104 7.1104 7.9095 7.9095 8.1642 8.1642 8.3632 8.3632 9.1526 9.1526 13.3212 13.3212 13.7395 13.7395 14.0075 14.0075 15.2288 15.2288 k = 0.0000 0.1269 0.3652 ( 3267 PWs) bands (ev): -4.0432 -4.0432 -3.3532 -3.3532 4.0126 4.0126 4.2108 4.2108 5.0204 5.0204 5.1919 5.1919 5.3014 5.3014 5.4734 5.4734 5.8667 5.8667 5.9714 5.9714 6.1094 6.1094 6.2602 6.2602 6.6861 6.6861 7.0416 7.0416 7.9635 7.9635 8.2133 8.2133 8.4141 8.4141 9.2321 9.2321 13.3514 13.3514 13.7395 13.7395 13.9947 13.9947 15.2778 15.2778 k = 0.0000 0.1396 0.3652 ( 3268 PWs) bands (ev): -4.0269 -4.0269 -3.3466 -3.3466 4.0042 4.0042 4.1704 4.1704 5.0010 5.0010 5.1829 5.1829 5.2806 5.2806 5.4395 5.4395 5.8710 5.8710 5.9668 5.9668 6.1121 6.1121 6.2639 6.2639 6.6461 6.6461 6.9748 6.9748 8.0194 8.0194 8.2658 8.2658 8.4700 8.4700 9.3081 9.3081 13.3668 13.3668 13.7346 13.7346 14.0014 14.0014 15.3333 15.3333 k = 0.0000 0.1523 0.3652 ( 3266 PWs) bands (ev): -4.0092 -4.0092 -3.3396 -3.3396 3.9849 3.9849 4.1386 4.1386 4.9801 4.9801 5.1727 5.1727 5.2580 5.2580 5.4016 5.4016 5.8755 5.8755 5.9635 5.9635 6.1147 6.1147 6.2676 6.2676 6.6090 6.6090 6.9122 6.9122 8.0766 8.0766 8.3208 8.3208 8.5304 8.5304 9.3807 9.3807 13.3575 13.3575 13.7387 13.7387 14.0229 14.0229 15.3944 15.3944 k = 0.0000 0.1650 0.3652 ( 3261 PWs) bands (ev): -3.9902 -3.9902 -3.3324 -3.3324 3.9509 3.9509 4.1197 4.1197 4.9582 4.9582 5.1602 5.1602 5.2342 5.2342 5.3602 5.3602 5.8801 5.8801 5.9613 5.9613 6.1174 6.1174 6.2711 6.2711 6.5750 6.5750 6.8551 6.8551 8.1346 8.1346 8.3775 8.3775 8.5947 8.5947 9.4497 9.4497 13.3199 13.3199 13.7613 13.7613 14.0531 14.0531 15.4596 15.4596 k = 0.0000 0.1777 0.3652 ( 3257 PWs) bands (ev): -3.9699 -3.9699 -3.3251 -3.3251 3.9045 3.9045 4.1117 4.1117 4.9354 4.9354 5.1432 5.1432 5.2108 5.2108 5.3159 5.3159 5.8850 5.8850 5.9599 5.9599 6.1202 6.1202 6.2741 6.2741 6.5441 6.5441 6.8042 6.8042 8.1933 8.1933 8.4355 8.4355 8.6624 8.6624 9.5151 9.5151 13.2595 13.2595 13.8005 13.8005 14.0876 14.0876 15.5265 15.5265 k = 0.0000 0.1904 0.3652 ( 3253 PWs) bands (ev): -3.9483 -3.9483 -3.3176 -3.3176 3.8507 3.8507 4.1103 4.1103 4.9118 4.9118 5.1191 5.1191 5.1891 5.1891 5.2708 5.2708 5.8900 5.8900 5.9593 5.9593 6.1232 6.1232 6.2766 6.2766 6.5167 6.5167 6.7598 6.7598 8.2525 8.2525 8.4943 8.4943 8.7328 8.7328 9.5771 9.5771 13.1843 13.1843 13.8504 13.8504 14.1238 14.1238 15.5918 15.5918 k = 0.0000 0.2031 0.3652 ( 3249 PWs) bands (ev): -3.9256 -3.9256 -3.3103 -3.3103 3.7928 3.7928 4.1122 4.1122 4.8876 4.8876 5.0859 5.0859 5.1681 5.1681 5.2285 5.2285 5.8950 5.8950 5.9594 5.9594 6.1266 6.1266 6.2784 6.2784 6.4929 6.4929 6.7218 6.7218 8.3119 8.3119 8.5536 8.5536 8.8055 8.8055 9.6356 9.6356 13.1003 13.1003 13.9062 13.9062 14.1599 14.1599 15.6505 15.6505 k = 0.0000 0.2158 0.3652 ( 3245 PWs) bands (ev): -3.9018 -3.9018 -3.3031 -3.3031 3.7331 3.7331 4.1157 4.1157 4.8627 4.8627 5.0437 5.0437 5.1429 5.1429 5.1951 5.1951 5.8998 5.8998 5.9603 5.9603 6.1304 6.1304 6.2792 6.2792 6.4731 6.4731 6.6898 6.6898 8.3715 8.3715 8.6133 8.6133 8.8799 8.8799 9.6908 9.6908 13.0110 13.0110 13.9645 13.9645 14.1949 14.1949 15.6959 15.6959 k = 0.0000 0.2285 0.3652 ( 3244 PWs) bands (ev): -3.8769 -3.8769 -3.2961 -3.2961 3.6728 3.6728 4.1197 4.1197 4.8365 4.8365 4.9940 4.9940 5.1106 5.1106 5.1738 5.1738 5.9040 5.9040 5.9623 5.9623 6.1347 6.1347 6.2791 6.2791 6.4573 6.4573 6.6632 6.6632 8.4310 8.4310 8.6731 8.6731 8.9556 8.9556 9.7429 9.7429 12.9190 12.9190 14.0228 14.0228 14.2282 14.2282 15.7026 15.7026 k = 0.0000 0.2412 0.3652 ( 3243 PWs) bands (ev): -3.8511 -3.8511 -3.2895 -3.2895 3.6128 3.6128 4.1236 4.1236 4.8081 4.8081 4.9398 4.9398 5.0757 5.0757 5.1594 5.1594 5.9074 5.9074 5.9655 5.9655 6.1394 6.1394 6.2779 6.2779 6.4455 6.4455 6.6413 6.6413 8.4902 8.4902 8.7329 8.7329 9.0318 9.0318 9.7919 9.7919 12.8256 12.8256 14.0785 14.0785 14.2601 14.2601 15.6068 15.6068 k = 0.0000 0.2539 0.3652 ( 3243 PWs) bands (ev): -3.8244 -3.8244 -3.2834 -3.2834 3.5537 3.5537 4.1267 4.1267 4.7749 4.7749 4.8862 4.8862 5.0413 5.0413 5.1479 5.1479 5.9098 5.9098 5.9700 5.9700 6.1444 6.1444 6.2759 6.2759 6.4373 6.4373 6.6236 6.6236 8.5488 8.5488 8.7927 8.7927 9.1082 9.1082 9.8380 9.8380 12.7322 12.7322 14.1282 14.1282 14.2922 14.2922 15.4974 15.4974 k = 0.0000 0.2666 0.3652 ( 3239 PWs) bands (ev): -3.7969 -3.7969 -3.2779 -3.2779 3.4963 3.4963 4.1283 4.1283 4.7336 4.7336 4.8392 4.8392 5.0082 5.0082 5.1377 5.1377 5.9112 5.9112 5.9758 5.9758 6.1499 6.1499 6.2733 6.2733 6.4322 6.4322 6.6094 6.6094 8.6067 8.6067 8.8522 8.8522 9.1842 9.1842 9.8815 9.8815 12.6397 12.6397 14.1674 14.1674 14.3272 14.3272 15.3899 15.3899 k = 0.0000 0.2793 0.3652 ( 3238 PWs) bands (ev): -3.7688 -3.7688 -3.2732 -3.2732 3.4409 3.4409 4.1275 4.1275 4.6830 4.6830 4.8021 4.8021 4.9765 4.9765 5.1283 5.1283 5.9117 5.9117 5.9827 5.9827 6.1556 6.1556 6.2703 6.2703 6.4299 6.4299 6.5982 6.5982 8.6634 8.6634 8.9114 8.9114 9.2591 9.2591 9.9224 9.9224 12.5490 12.5490 14.1922 14.1922 14.3678 14.3678 15.2860 15.2860 k = 0.0000 0.2920 0.3652 ( 3241 PWs) bands (ev): -3.7400 -3.7400 -3.2692 -3.2692 3.3881 3.3881 4.1232 4.1232 4.6273 4.6273 4.7730 4.7730 4.9462 4.9462 5.1193 5.1193 5.9116 5.9116 5.9903 5.9903 6.1614 6.1614 6.2674 6.2674 6.4296 6.4296 6.5895 6.5895 8.7187 8.7187 8.9703 8.9703 9.3325 9.3325 9.9609 9.9609 12.4606 12.4606 14.2020 14.2020 14.4134 14.4134 15.1866 15.1866 k = 0.0000 0.3047 0.3652 ( 3244 PWs) bands (ev): -3.7108 -3.7108 -3.2663 -3.2663 3.3381 3.3381 4.1140 4.1140 4.5720 4.5720 4.7486 4.7486 4.9174 4.9174 5.1108 5.1108 5.9110 5.9110 5.9985 5.9985 6.1672 6.1672 6.2647 6.2647 6.4309 6.4309 6.5831 6.5831 8.7721 8.7721 9.0287 9.0287 9.4037 9.4037 9.9970 9.9970 12.3754 12.3754 14.1987 14.1987 14.4611 14.4611 15.0925 15.0925 k = 0.0000 0.3173 0.3652 ( 3250 PWs) bands (ev): -3.6811 -3.6811 -3.2644 -3.2644 3.2915 3.2915 4.0982 4.0982 4.5214 4.5214 4.7270 4.7270 4.8903 4.8903 5.1027 5.1027 5.9101 5.9101 6.0070 6.0070 6.1729 6.1729 6.2625 6.2625 6.4335 6.4335 6.5784 6.5784 8.8234 8.8234 9.0865 9.0865 9.4721 9.4721 10.0309 10.0309 12.2941 12.2941 14.1847 14.1847 14.5078 14.5078 15.0048 15.0048 k = 0.0000 0.3300 0.3652 ( 3253 PWs) bands (ev): -3.6513 -3.6513 -3.2636 -3.2636 3.2484 3.2484 4.0744 4.0744 4.4783 4.4783 4.7073 4.7073 4.8649 4.8649 5.0952 5.0952 5.9090 5.9090 6.0157 6.0157 6.1782 6.1782 6.2609 6.2609 6.4369 6.4369 6.5754 6.5754 8.8722 8.8722 9.1435 9.1435 9.5372 9.5372 10.0626 10.0626 12.2173 12.2173 14.1619 14.1619 14.5506 14.5506 14.9249 14.9249 k = 0.0000 0.3427 0.3652 ( 3256 PWs) bands (ev): -3.6213 -3.6213 -3.2641 -3.2641 3.2092 3.2092 4.0420 4.0420 4.4445 4.4445 4.6891 4.6891 4.8414 4.8414 5.0882 5.0882 5.9077 5.9077 6.0244 6.0244 6.1831 6.1831 6.2600 6.2600 6.4410 6.4410 6.5735 6.5735 8.9181 8.9181 9.1993 9.1993 9.5983 9.5983 10.0921 10.0921 12.1457 12.1457 14.1320 14.1320 14.5860 14.5860 14.8549 14.8549 k = 0.0000 0.3554 0.3652 ( 3261 PWs) bands (ev): -3.5913 -3.5913 -3.2659 -3.2659 3.1742 3.1742 4.0016 4.0016 4.4199 4.4199 4.6720 4.6720 4.8199 4.8199 5.0819 5.0819 5.9064 5.9064 6.0330 6.0330 6.1873 6.1873 6.2600 6.2600 6.4455 6.4455 6.5728 6.5728 8.9608 8.9608 9.2538 9.2538 9.6550 9.6550 10.1193 10.1193 12.0801 12.0801 14.0966 14.0966 14.6088 14.6088 14.7993 14.7993 k = 0.0000 0.3681 0.3652 ( 3261 PWs) bands (ev): -3.5616 -3.5616 -3.2690 -3.2690 3.1436 3.1436 3.9552 3.9552 4.4030 4.4030 4.6560 4.6560 4.8005 4.8005 5.0763 5.0763 5.9051 5.9051 6.0414 6.0414 6.1908 6.1908 6.2608 6.2608 6.4503 6.4503 6.5730 6.5730 8.9999 8.9999 9.3064 9.3064 9.7066 9.7066 10.1440 10.1440 12.0211 12.0211 14.0570 14.0570 14.6113 14.6113 14.7649 14.7649 k = 0.0000 0.3808 0.3652 ( 3254 PWs) bands (ev): -3.5323 -3.5323 -3.2735 -3.2735 3.1175 3.1175 3.9050 3.9050 4.3921 4.3921 4.6409 4.6409 4.7833 4.7833 5.0715 5.0715 5.9039 5.9039 6.0495 6.0495 6.1934 6.1934 6.2626 6.2626 6.4551 6.4551 6.5738 6.5738 9.0351 9.0351 9.3568 9.3568 9.7527 9.7527 10.1661 10.1661 11.9696 11.9696 14.0145 14.0145 14.5921 14.5921 14.7528 14.7528 k = 0.0000 0.3935 0.3652 ( 3246 PWs) bands (ev): -3.5036 -3.5036 -3.2792 -3.2792 3.0962 3.0962 3.8531 3.8531 4.3853 4.3853 4.6267 4.6267 4.7683 4.7683 5.0676 5.0676 5.9026 5.9026 6.0573 6.0573 6.1952 6.1952 6.2651 6.2651 6.4599 6.4599 6.5753 6.5753 9.0663 9.0663 9.4044 9.4044 9.7930 9.7930 10.1853 10.1853 11.9263 11.9263 13.9701 13.9701 14.5634 14.5634 14.7504 14.7504 k = 0.0000 0.4062 0.3652 ( 3247 PWs) bands (ev): -3.4759 -3.4759 -3.2861 -3.2861 3.0797 3.0797 3.8013 3.8013 4.3813 4.3813 4.6134 4.6134 4.7556 4.7556 5.0647 5.0647 5.9014 5.9014 6.0647 6.0647 6.1961 6.1961 6.2682 6.2682 6.4645 6.4645 6.5771 6.5771 9.0929 9.0929 9.4486 9.4486 9.8272 9.8272 10.2014 10.2014 11.8918 11.8918 13.9249 13.9249 14.5359 14.5359 14.7470 14.7470 k = 0.0000 0.4189 0.3652 ( 3253 PWs) bands (ev): -3.4498 -3.4498 -3.2936 -3.2936 3.0682 3.0682 3.7508 3.7508 4.3792 4.3792 4.6010 4.6010 4.7452 4.7452 5.0626 5.0626 5.9001 5.9001 6.0715 6.0715 6.1963 6.1963 6.2719 6.2719 6.4689 6.4689 6.5792 6.5792 9.1149 9.1149 9.4889 9.4889 9.8550 9.8550 10.2142 10.2142 11.8667 11.8667 13.8796 13.8796 14.5145 14.5145 14.7382 14.7382 k = 0.0000 0.4316 0.3652 ( 3251 PWs) bands (ev): -3.4263 -3.4263 -3.3009 -3.3009 3.0617 3.0617 3.7025 3.7025 4.3781 4.3781 4.5896 4.5896 4.7371 4.7371 5.0617 5.0617 5.8990 5.8990 6.0780 6.0780 6.1959 6.1959 6.2759 6.2759 6.4729 6.4729 6.5815 6.5815 9.1321 9.1321 9.5248 9.5248 9.8763 9.8763 10.2236 10.2236 11.8515 11.8515 13.8349 13.8349 14.5011 14.5011 14.7228 14.7228 k = 0.0000 0.4443 0.3652 ( 3259 PWs) bands (ev): -3.4074 -3.4074 -3.3061 -3.3061 3.0602 3.0602 3.6572 3.6572 4.3777 4.3777 4.5793 4.5793 4.7312 4.7312 5.0617 5.0617 5.8979 5.8979 6.0839 6.0839 6.1949 6.1949 6.2800 6.2800 6.4765 6.4765 6.5839 6.5839 9.1441 9.1441 9.5555 9.5555 9.8908 9.8908 10.2297 10.2297 11.8465 11.8465 13.7914 13.7914 14.4961 14.4961 14.7012 14.7012 k = 0.0000 0.4570 0.3652 ( 3261 PWs) bands (ev): -3.3968 -3.3968 -3.3057 -3.3057 3.0636 3.0636 3.6155 3.6155 4.3778 4.3778 4.5701 4.5701 4.7275 4.7275 5.0627 5.0627 5.8968 5.8968 6.0891 6.0891 6.1937 6.1937 6.2842 6.2842 6.4796 6.4796 6.5864 6.5864 9.1511 9.1511 9.5807 9.5807 9.8985 9.8985 10.2330 10.2330 11.8518 11.8518 13.7494 13.7494 14.4989 14.4989 14.6749 14.6749 k = 0.0000 0.4570 0.3652 ( 3261 PWs) bands (ev): -3.3968 -3.3968 -3.3057 -3.3057 3.0636 3.0636 3.6155 3.6155 4.3778 4.3778 4.5701 4.5701 4.7275 4.7275 5.0627 5.0627 5.8968 5.8968 6.0891 6.0891 6.1937 6.1937 6.2842 6.2842 6.4796 6.4796 6.5864 6.5864 9.1511 9.1511 9.5807 9.5807 9.8985 9.8985 10.2330 10.2330 11.8518 11.8518 13.7494 13.7494 14.4989 14.4989 14.6749 14.6749 k = 0.0000 0.4631 0.3546 ( 3253 PWs) bands (ev): -3.4006 -3.4006 -3.2931 -3.2931 3.0719 3.0719 3.5616 3.5616 4.3672 4.3672 4.5636 4.5636 4.7233 4.7233 5.0622 5.0622 5.9042 5.9042 6.0983 6.0983 6.1956 6.1956 6.2884 6.2884 6.4842 6.4842 6.5864 6.5864 9.2146 9.2146 9.5911 9.5911 9.9113 9.9113 10.2218 10.2218 11.8488 11.8488 13.7564 13.7564 14.4813 14.4813 14.6231 14.6231 k = 0.0000 0.4693 0.3440 ( 3249 PWs) bands (ev): -3.4041 -3.4041 -3.2819 -3.2819 3.0829 3.0829 3.5113 3.5113 4.3585 4.3585 4.5581 4.5581 4.7197 4.7197 5.0616 5.0616 5.9104 5.9104 6.1063 6.1063 6.1972 6.1972 6.2920 6.2920 6.4885 6.4885 6.5864 6.5864 9.2764 9.2764 9.5963 9.5963 9.9249 9.9249 10.2027 10.2027 11.8497 11.8497 13.7695 13.7695 14.4417 14.4417 14.5966 14.5966 k = 0.0000 0.4755 0.3334 ( 3245 PWs) bands (ev): -3.4072 -3.4072 -3.2724 -3.2724 3.0962 3.0962 3.4655 3.4655 4.3515 4.3515 4.5535 4.5535 4.7167 4.7167 5.0612 5.0612 5.9154 5.9154 6.1131 6.1131 6.1984 6.1984 6.2951 6.2951 6.4923 6.4923 6.5862 6.5862 9.3354 9.3354 9.5957 9.5957 9.9399 9.9399 10.1778 10.1778 11.8531 11.8531 13.7881 13.7881 14.3860 14.3860 14.5910 14.5910 k = 0.0000 0.4816 0.3229 ( 3246 PWs) bands (ev): -3.4097 -3.4097 -3.2650 -3.2650 3.1108 3.1108 3.4254 3.4254 4.3462 4.3462 4.5499 4.5499 4.7144 4.7144 5.0608 5.0608 5.9192 5.9192 6.1184 6.1184 6.1993 6.1993 6.2976 6.2976 6.4954 6.4954 6.5860 6.5860 9.3906 9.3906 9.5886 9.5886 9.9563 9.9563 10.1497 10.1497 11.8573 11.8573 13.8103 13.8103 14.3283 14.3283 14.5942 14.5942 k = 0.0000 0.4878 0.3123 ( 3246 PWs) bands (ev): -3.4115 -3.4115 -3.2595 -3.2595 3.1247 3.1247 3.3930 3.3930 4.3424 4.3424 4.5474 4.5474 4.7127 4.7127 5.0605 5.0605 5.9219 5.9219 6.1223 6.1223 6.1999 6.1999 6.2994 6.2994 6.4977 6.4977 6.5859 6.5859 9.4408 9.4408 9.5746 9.5746 9.9736 9.9736 10.1215 10.1215 11.8613 11.8613 13.8330 13.8330 14.2780 14.2780 14.5995 14.5995 k = 0.0000 0.4940 0.3017 ( 3240 PWs) bands (ev): -3.4126 -3.4126 -3.2562 -3.2562 3.1354 3.1354 3.3712 3.3712 4.3402 4.3402 4.5458 4.5458 4.7117 4.7117 5.0604 5.0604 5.9236 5.9236 6.1247 6.1247 6.2002 6.2002 6.3006 6.3006 6.4991 6.4991 6.5857 6.5857 9.4845 9.4845 9.5533 9.5533 9.9894 9.9894 10.0981 10.0981 11.8640 11.8640 13.8510 13.8510 14.2427 14.2427 14.6038 14.6038 k = 0.0000 0.5001 0.2911 ( 3234 PWs) bands (ev): -3.4129 -3.4129 -3.2551 -3.2551 3.1395 3.1395 3.3634 3.3634 4.3395 4.3395 4.5453 4.5453 4.7114 4.7114 5.0604 5.0604 5.9242 5.9242 6.1255 6.1255 6.2004 6.2004 6.3009 6.3009 6.4996 6.4996 6.5857 6.5857 9.5144 9.5144 9.5310 9.5310 9.9968 9.9968 10.0881 10.0881 11.8650 11.8650 13.8580 13.8580 14.2298 14.2298 14.6054 14.6054 k = 0.0000 0.5001 0.2911 ( 3234 PWs) bands (ev): -3.4129 -3.4129 -3.2551 -3.2551 3.1395 3.1395 3.3634 3.3634 4.3395 4.3395 4.5453 4.5453 4.7114 4.7114 5.0604 5.0604 5.9242 5.9242 6.1255 6.1255 6.2004 6.2004 6.3009 6.3009 6.4996 6.4996 6.5857 6.5857 9.5144 9.5144 9.5310 9.5310 9.9968 9.9968 10.0881 10.0881 11.8650 11.8650 13.8580 13.8580 14.2298 14.2298 14.6054 14.6054 k = 0.0128 0.5001 0.2911 ( 3238 PWs) bands (ev): -3.4126 -3.4126 -3.2549 -3.2549 3.1406 3.1406 3.3644 3.3644 4.3398 4.3398 4.5457 4.5457 4.7119 4.7119 5.0603 5.0603 5.9238 5.9238 6.1256 6.1256 6.2004 6.2004 6.3007 6.3007 6.4996 6.4996 6.5858 6.5858 9.4724 9.4724 9.5609 9.5609 9.9805 9.9805 10.0969 10.0969 11.8716 11.8716 13.8589 13.8589 14.2353 14.2353 14.5995 14.5995 k = 0.0256 0.5001 0.2911 ( 3242 PWs) bands (ev): -3.4116 -3.4116 -3.2543 -3.2543 3.1438 3.1438 3.3673 3.3673 4.3410 4.3410 4.5466 4.5466 4.7135 4.7135 5.0601 5.0601 5.9227 5.9227 6.1256 6.1256 6.2004 6.2004 6.3000 6.3000 6.4998 6.4998 6.5861 6.5861 9.4126 9.4126 9.5842 9.5842 9.9421 9.9421 10.1137 10.1137 11.8909 11.8909 13.8609 13.8609 14.2516 14.2516 14.5838 14.5838 k = 0.0385 0.5001 0.2911 ( 3246 PWs) bands (ev): -3.4100 -3.4100 -3.2532 -3.2532 3.1492 3.1492 3.3722 3.3722 4.3429 4.3429 4.5482 4.5482 4.7162 4.7162 5.0598 5.0598 5.9210 5.9210 6.1257 6.1257 6.2005 6.2005 6.2987 6.2987 6.5000 6.5000 6.5865 6.5865 9.3434 9.3434 9.5926 9.5926 9.8923 9.8923 10.1293 10.1293 11.9212 11.9212 13.8612 13.8612 14.2785 14.2785 14.5642 14.5642 k = 0.0513 0.5001 0.2911 ( 3242 PWs) bands (ev): -3.4078 -3.4078 -3.2516 -3.2516 3.1567 3.1567 3.3790 3.3790 4.3457 4.3457 4.5506 4.5506 4.7199 4.7199 5.0594 5.0594 5.9186 5.9186 6.1258 6.1258 6.2006 6.2006 6.2971 6.2971 6.5004 6.5004 6.5871 6.5871 9.2665 9.2665 9.5835 9.5835 9.8372 9.8372 10.1405 10.1405 11.9604 11.9604 13.8554 13.8554 14.3155 14.3155 14.5491 14.5491 k = 0.0641 0.5001 0.2911 ( 3248 PWs) bands (ev): -3.4049 -3.4049 -3.2497 -3.2497 3.1663 3.1663 3.3877 3.3877 4.3491 4.3491 4.5537 4.5537 4.7247 4.7247 5.0587 5.0587 5.9157 5.9157 6.1259 6.1259 6.2005 6.2005 6.2951 6.2951 6.5010 6.5010 6.5879 6.5879 9.1833 9.1833 9.5540 9.5540 9.7827 9.7827 10.1461 10.1461 12.0061 12.0061 13.8388 13.8388 14.3621 14.3621 14.5474 14.5474 k = 0.0769 0.5001 0.2911 ( 3248 PWs) bands (ev): -3.4014 -3.4014 -3.2474 -3.2474 3.1779 3.1779 3.3982 3.3982 4.3531 4.3531 4.5577 4.5577 4.7306 4.7306 5.0578 5.0578 5.9122 5.9122 6.1260 6.1260 6.2004 6.2004 6.2927 6.2927 6.5017 6.5017 6.5888 6.5888 9.0951 9.0951 9.5020 9.5020 9.7330 9.7330 10.1447 10.1447 12.0559 12.0559 13.8081 13.8081 14.4179 14.4179 14.5655 14.5655 k = 0.0897 0.5001 0.2911 ( 3244 PWs) bands (ev): -3.3973 -3.3973 -3.2446 -3.2446 3.1914 3.1914 3.4106 3.4106 4.3578 4.3578 4.5626 4.5626 4.7378 4.7378 5.0565 5.0565 5.9083 5.9083 6.1261 6.1261 6.2002 6.2002 6.2902 6.2902 6.5027 6.5027 6.5898 6.5898 9.0032 9.0032 9.4301 9.4301 9.6882 9.6882 10.1354 10.1354 12.1078 12.1078 13.7635 13.7635 14.4827 14.4827 14.6049 14.6049 k = 0.1026 0.5001 0.2911 ( 3240 PWs) bands (ev): -3.3926 -3.3926 -3.2415 -3.2415 3.2069 3.2069 3.4248 3.4248 4.3630 4.3630 4.5685 4.5685 4.7461 4.7461 5.0549 5.0549 5.9039 5.9039 6.1261 6.1261 6.1996 6.1996 6.2875 6.2875 6.5039 6.5039 6.5909 6.5909 8.9087 8.9087 9.3438 9.3438 9.6451 9.6451 10.1173 10.1173 12.1603 12.1603 13.7080 13.7080 14.5565 14.5565 14.6623 14.6623 k = 0.1154 0.5001 0.2911 ( 3242 PWs) bands (ev): -3.3873 -3.3873 -3.2381 -3.2381 3.2241 3.2241 3.4407 3.4407 4.3687 4.3687 4.5755 4.5755 4.7557 4.7557 5.0529 5.0529 5.8993 5.8993 6.1259 6.1259 6.1988 6.1988 6.2849 6.2849 6.5054 6.5054 6.5921 6.5921 8.8123 8.8123 9.2482 9.2482 9.6004 9.6004 10.0897 10.0897 12.2123 12.2123 13.6460 13.6460 14.6382 14.6382 14.7328 14.7328 k = 0.1282 0.5001 0.2911 ( 3244 PWs) bands (ev): -3.3816 -3.3816 -3.2344 -3.2344 3.2430 3.2430 3.4582 3.4582 4.3746 4.3746 4.5837 4.5837 4.7666 4.7666 5.0503 5.0503 5.8943 5.8943 6.1255 6.1255 6.1976 6.1976 6.2825 6.2825 6.5071 6.5071 6.5933 6.5933 8.7149 8.7149 9.1467 9.1467 9.5522 9.5522 10.0524 10.0524 12.2630 12.2630 13.5814 13.5814 14.7232 14.7232 14.8128 14.8128 k = 0.1410 0.5001 0.2911 ( 3248 PWs) bands (ev): -3.3753 -3.3753 -3.2303 -3.2303 3.2634 3.2634 3.4774 3.4774 4.3808 4.3808 4.5933 4.5933 4.7789 4.7789 5.0473 5.0473 5.8893 5.8893 6.1247 6.1247 6.1960 6.1960 6.2803 6.2803 6.5091 6.5091 6.5946 6.5946 8.6174 8.6174 9.0418 9.0418 9.4996 9.4996 10.0053 10.0053 12.3120 12.3120 13.5173 13.5173 14.8019 14.8019 14.9031 14.9031 k = 0.1538 0.5001 0.2911 ( 3258 PWs) bands (ev): -3.3685 -3.3685 -3.2260 -3.2260 3.2853 3.2853 3.4980 3.4980 4.3871 4.3871 4.6042 4.6042 4.7927 4.7927 5.0437 5.0437 5.8842 5.8842 6.1235 6.1235 6.1941 6.1941 6.2785 6.2785 6.5114 6.5114 6.5959 6.5959 8.5202 8.5202 8.9349 8.9349 9.4423 9.4423 9.9484 9.9484 12.3593 12.3593 13.4558 13.4558 14.8637 14.8637 15.0068 15.0068 k = 0.1667 0.5001 0.2911 ( 3256 PWs) bands (ev): -3.3613 -3.3613 -3.2215 -3.2215 3.3085 3.3085 3.5201 3.5201 4.3933 4.3933 4.6165 4.6165 4.8080 4.8080 5.0397 5.0397 5.8792 5.8792 6.1216 6.1216 6.1920 6.1920 6.2772 6.2772 6.5140 6.5140 6.5972 6.5972 8.4242 8.4242 8.8272 8.8272 9.3802 9.3802 9.8823 9.8823 12.4050 12.4050 13.3984 13.3984 14.9065 14.9065 15.1220 15.1220 k = 0.1795 0.5001 0.2911 ( 3252 PWs) bands (ev): -3.3537 -3.3537 -3.2168 -3.2168 3.3329 3.3329 3.5436 3.5436 4.3993 4.3993 4.6303 4.6303 4.8249 4.8249 5.0352 5.0352 5.8745 5.8745 6.1189 6.1189 6.1899 6.1899 6.2766 6.2766 6.5168 6.5168 6.5986 6.5986 8.3296 8.3296 8.7196 8.7196 9.3134 9.3134 9.8073 9.8073 12.4490 12.4490 13.3460 13.3460 14.9349 14.9349 15.2451 15.2451 k = 0.1923 0.5001 0.2911 ( 3248 PWs) bands (ev): -3.3457 -3.3457 -3.2120 -3.2120 3.3583 3.3583 3.5683 3.5683 4.4049 4.4049 4.6455 4.6455 4.8435 4.8435 5.0306 5.0306 5.8699 5.8699 6.1152 6.1152 6.1881 6.1881 6.2764 6.2764 6.5200 6.5200 6.6000 6.6000 8.2370 8.2370 8.6126 8.6126 9.2421 9.2421 9.7243 9.7243 12.4917 12.4917 13.2989 13.2989 14.9549 14.9549 15.3730 15.3730 k = 0.2051 0.5001 0.2911 ( 3244 PWs) bands (ev): -3.3374 -3.3374 -3.2070 -3.2070 3.3846 3.3846 3.5941 3.5941 4.4100 4.4100 4.6619 4.6619 4.8636 4.8636 5.0261 5.0261 5.8658 5.8658 6.1103 6.1103 6.1866 6.1866 6.2768 6.2768 6.5234 6.5234 6.6015 6.6015 8.1468 8.1468 8.5068 8.5068 9.1666 9.1666 9.6341 9.6341 12.5333 12.5333 13.2575 13.2575 14.9711 14.9711 15.5038 15.5038 k = 0.2179 0.5001 0.2911 ( 3240 PWs) bands (ev): -3.3288 -3.3288 -3.2020 -3.2020 3.4116 3.4116 3.6210 3.6210 4.4144 4.4144 4.6793 4.6793 4.8851 4.8851 5.0222 5.0222 5.8621 5.8621 6.1041 6.1041 6.1859 6.1859 6.2777 6.2777 6.5271 6.5271 6.6030 6.6030 8.0593 8.0593 8.4026 8.4026 9.0873 9.0873 9.5374 9.5374 12.5740 12.5740 13.2217 13.2217 14.9865 14.9865 15.6356 15.6356 k = 0.2308 0.5001 0.2911 ( 3244 PWs) bands (ev): -3.3199 -3.3199 -3.1969 -3.1969 3.4393 3.4393 3.6487 3.6487 4.4178 4.4178 4.6972 4.6972 4.9078 4.9078 5.0199 5.0199 5.8590 5.8590 6.0966 6.0966 6.1857 6.1857 6.2789 6.2789 6.5310 6.5310 6.6046 6.6046 7.9748 7.9748 8.3004 8.3004 9.0045 9.0045 9.4353 9.4353 12.6138 12.6138 13.1912 13.1912 15.0030 15.0030 15.7671 15.7671 k = 0.2436 0.5001 0.2911 ( 3244 PWs) bands (ev): -3.3109 -3.3109 -3.1919 -3.1919 3.4673 3.4673 3.6773 3.6773 4.4203 4.4203 4.7148 4.7148 4.9310 4.9310 5.0208 5.0208 5.8566 5.8566 6.0882 6.0882 6.1863 6.1863 6.2805 6.2805 6.5352 6.5352 6.6062 6.6062 7.8935 7.8935 8.2004 8.2004 8.9186 8.9186 9.3286 9.3286 12.6529 12.6529 13.1657 13.1657 15.0218 15.0218 15.8968 15.8968 k = 0.2564 0.5001 0.2911 ( 3240 PWs) bands (ev): -3.3016 -3.3016 -3.1869 -3.1869 3.4958 3.4958 3.7065 3.7065 4.4216 4.4216 4.7309 4.7309 4.9535 4.9535 5.0273 5.0273 5.8551 5.8551 6.0788 6.0788 6.1877 6.1877 6.2823 6.2823 6.5396 6.5396 6.6081 6.6081 7.8157 7.8157 8.1028 8.1028 8.8303 8.8303 9.2183 9.2183 12.6913 12.6913 13.1450 13.1450 15.0435 15.0435 16.0235 16.0235 k = 0.2692 0.5001 0.2911 ( 3238 PWs) bands (ev): -3.2923 -3.2923 -3.1820 -3.1820 3.5244 3.5244 3.7362 3.7362 4.4217 4.4217 4.7441 4.7441 4.9743 4.9743 5.0418 5.0418 5.8545 5.8545 6.0688 6.0688 6.1896 6.1896 6.2842 6.2842 6.5442 6.5442 6.6101 6.6101 7.7412 7.7412 8.0079 8.0079 8.7398 8.7398 9.1053 9.1053 12.7291 12.7291 13.1286 13.1286 15.0685 15.0685 16.1461 16.1461 k = 0.2821 0.5001 0.2911 ( 3240 PWs) bands (ev): -3.2828 -3.2828 -3.1773 -3.1773 3.5532 3.5532 3.7662 3.7662 4.4204 4.4204 4.7527 4.7527 4.9945 4.9945 5.0647 5.0647 5.8550 5.8550 6.0583 6.0583 6.1922 6.1922 6.2861 6.2861 6.5490 6.5490 6.6123 6.6123 7.6703 7.6703 7.9158 7.9158 8.6477 8.6477 8.9906 8.9906 12.7661 12.7661 13.1161 13.1161 15.0968 15.0968 16.2631 16.2631 k = 0.2949 0.5001 0.2911 ( 3240 PWs) bands (ev): -3.2734 -3.2734 -3.1728 -3.1728 3.5820 3.5820 3.7965 3.7965 4.4176 4.4176 4.7557 4.7557 5.0173 5.0173 5.0939 5.0939 5.8566 5.8566 6.0478 6.0478 6.1953 6.1953 6.2879 6.2879 6.5540 6.5540 6.6147 6.6147 7.6029 7.6029 7.8267 7.8267 8.5546 8.5546 8.8750 8.8750 12.8023 12.8023 13.1071 13.1071 15.1286 15.1286 16.3732 16.3732 k = 0.3077 0.5001 0.2911 ( 3240 PWs) bands (ev): -3.2640 -3.2640 -3.1685 -3.1685 3.6108 3.6108 3.8267 3.8267 4.4133 4.4133 4.7526 4.7526 5.0447 5.0447 5.1272 5.1272 5.8596 5.8596 6.0373 6.0373 6.1990 6.1990 6.2896 6.2896 6.5591 6.5591 6.6176 6.6176 7.5387 7.5387 7.7408 7.7408 8.4610 8.4610 8.7594 8.7594 12.8374 12.8374 13.1012 13.1012 15.1637 15.1637 16.4745 16.4745 k = 0.3205 0.5001 0.2911 ( 3242 PWs) bands (ev): -3.2547 -3.2547 -3.1645 -3.1645 3.6396 3.6396 3.8568 3.8568 4.4077 4.4077 4.7442 4.7442 5.0772 5.0772 5.1633 5.1633 5.8641 5.8641 6.0273 6.0273 6.2033 6.2033 6.2911 6.2911 6.5643 6.5643 6.6208 6.6208 7.4775 7.4775 7.6581 7.6581 8.3675 8.3675 8.6447 8.6447 12.8714 12.8714 13.0981 13.0981 15.2022 15.2022 16.5640 16.5640 k = 0.3333 0.5001 0.2911 ( 3238 PWs) bands (ev): -3.2455 -3.2455 -3.1608 -3.1608 3.6682 3.6682 3.8865 3.8865 4.4007 4.4007 4.7313 4.7313 5.1142 5.1142 5.2010 5.2010 5.8703 5.8703 6.0182 6.0182 6.2082 6.2082 6.2922 6.2922 6.5696 6.5696 6.6245 6.6245 7.4190 7.4190 7.5791 7.5791 8.2748 8.2748 8.5317 8.5317 12.9041 12.9041 13.0972 13.0972 15.2438 15.2438 16.6381 16.6381 k = 0.3462 0.5001 0.2911 ( 3234 PWs) bands (ev): -3.2365 -3.2365 -3.1575 -3.1575 3.6968 3.6968 3.9155 3.9155 4.3925 4.3925 4.7150 4.7150 5.1547 5.1547 5.2398 5.2398 5.8781 5.8781 6.0103 6.0103 6.2136 6.2136 6.2930 6.2930 6.5748 6.5748 6.6288 6.6288 7.3624 7.3624 7.5039 7.5039 8.1835 8.1835 8.4215 8.4215 12.9352 12.9352 13.0983 13.0983 15.2885 15.2885 16.6914 16.6914 k = 0.3590 0.5001 0.2911 ( 3232 PWs) bands (ev): -3.2277 -3.2277 -3.1546 -3.1546 3.7252 3.7252 3.9436 3.9436 4.3834 4.3834 4.6958 4.6958 5.1976 5.1976 5.2790 5.2790 5.8879 5.8879 6.0043 6.0043 6.2197 6.2197 6.2933 6.2933 6.5799 6.5799 6.6338 6.6338 7.3071 7.3071 7.4329 7.4329 8.0944 8.0944 8.3148 8.3148 12.9646 12.9646 13.1010 13.1010 15.3361 15.3361 16.7177 16.7177 k = 0.3718 0.5001 0.2911 ( 3228 PWs) bands (ev): -3.2192 -3.2192 -3.1521 -3.1521 3.7534 3.7534 3.9703 3.9703 4.3739 4.3739 4.6746 4.6746 5.2417 5.2417 5.3179 5.3179 5.8995 5.8995 6.0007 6.0007 6.2262 6.2262 6.2931 6.2931 6.5846 6.5846 6.6394 6.6394 7.2524 7.2524 7.3665 7.3665 8.0087 8.0087 8.2125 8.2125 12.9920 12.9920 13.1050 13.1050 15.3865 15.3865 16.7111 16.7111 k = 0.3846 0.5001 0.2911 ( 3232 PWs) bands (ev): -3.2110 -3.2110 -3.1501 -3.1501 3.7815 3.7815 3.9951 3.9951 4.3645 4.3645 4.6517 4.6517 5.2857 5.2857 5.3559 5.3559 5.9128 5.9128 6.0003 6.0003 6.2331 6.2331 6.2925 6.2925 6.5889 6.5889 6.6459 6.6459 7.1974 7.1974 7.3048 7.3048 7.9273 7.9273 8.1156 8.1156 13.0173 13.0173 13.1098 13.1098 15.4396 15.4396 16.6747 16.6747 k = 0.3974 0.5001 0.2911 ( 3234 PWs) bands (ev): -3.2031 -3.2031 -3.1486 -3.1486 3.8093 3.8093 4.0172 4.0172 4.3559 4.3559 4.6275 4.6275 5.3283 5.3283 5.3922 5.3922 5.9277 5.9277 6.0040 6.0040 6.2402 6.2402 6.2916 6.2916 6.5928 6.5928 6.6532 6.6532 7.1422 7.1422 7.2476 7.2476 7.8516 7.8516 8.0249 8.0249 13.0403 13.0403 13.1152 13.1152 15.4951 15.4951 16.6186 16.6186 k = 0.4103 0.5001 0.2911 ( 3238 PWs) bands (ev): -3.1957 -3.1957 -3.1477 -3.1477 3.8369 3.8369 4.0357 4.0357 4.3493 4.3493 4.6022 4.6022 5.3682 5.3682 5.4261 5.4261 5.9439 5.9439 6.0123 6.0123 6.2470 6.2470 6.2907 6.2907 6.5962 6.5962 6.6612 6.6612 7.0874 7.0874 7.1941 7.1941 7.7832 7.7832 7.9412 7.9412 13.0610 13.0610 13.1208 13.1208 15.5531 15.5531 16.5513 16.5513 k = 0.4231 0.5001 0.2911 ( 3236 PWs) bands (ev): -3.1886 -3.1886 -3.1473 -3.1473 3.8642 3.8642 4.0495 4.0495 4.3459 4.3459 4.5763 4.5763 5.4044 5.4044 5.4565 5.4565 5.9616 5.9616 6.0250 6.0250 6.2531 6.2531 6.2901 6.2901 6.5994 6.5994 6.6696 6.6696 7.0343 7.0343 7.1431 7.1431 7.7235 7.7235 7.8651 7.8651 13.0792 13.0792 13.1262 13.1262 15.6133 15.6133 16.4779 16.4779 k = 0.4359 0.5001 0.2911 ( 3236 PWs) bands (ev): -3.1821 -3.1821 -3.1475 -3.1475 3.8910 3.8910 4.0576 4.0576 4.3467 4.3467 4.5500 4.5500 5.4362 5.4362 5.4824 5.4824 5.9808 5.9808 6.0408 6.0408 6.2578 6.2578 6.2903 6.2903 6.6029 6.6029 6.6776 6.6776 6.9850 6.9850 7.0941 7.0941 7.6740 7.6740 7.7973 7.7973 13.0949 13.0949 13.1312 13.1312 15.6757 15.6757 16.4015 16.4015 k = 0.4487 0.5001 0.2911 ( 3238 PWs) bands (ev): -3.1760 -3.1760 -3.1482 -3.1482 3.9172 3.9172 4.0593 4.0593 4.3527 4.3527 4.5234 4.5234 5.4632 5.4632 5.5028 5.5028 6.0019 6.0019 6.0575 6.0575 6.2610 6.2610 6.2912 6.2912 6.6074 6.6074 6.6840 6.6840 6.9419 6.9419 7.0470 7.0470 7.6356 7.6356 7.7383 7.7383 13.1082 13.1082 13.1353 13.1353 15.7403 15.7403 16.3238 16.3238 k = 0.4615 0.5001 0.2911 ( 3238 PWs) bands (ev): -3.1705 -3.1705 -3.1496 -3.1496 3.9427 3.9427 4.0546 4.0546 4.3639 4.3639 4.4969 4.4969 5.4856 5.4856 5.5171 5.5171 6.0240 6.0240 6.0721 6.0721 6.2638 6.2638 6.2916 6.2916 6.6141 6.6141 6.6864 6.6864 6.9090 6.9090 7.0026 7.0026 7.6090 7.6090 7.6886 7.6886 13.1190 13.1190 13.1383 13.1383 15.8070 15.8070 16.2461 16.2461 k = 0.4744 0.5001 0.2911 ( 3240 PWs) bands (ev): -3.1656 -3.1656 -3.1516 -3.1516 3.9671 3.9671 4.0444 4.0444 4.3797 4.3797 4.4708 4.4708 5.5032 5.5032 5.5253 5.5253 6.0455 6.0455 6.0816 6.0816 6.2676 6.2676 6.2902 6.2902 6.6239 6.6239 6.6820 6.6820 6.8906 6.8906 6.9624 6.9624 7.5943 7.5943 7.6487 7.6487 13.1274 13.1274 13.1398 13.1398 15.8758 15.8758 16.1691 16.1691 k = 0.4872 0.5001 0.2911 ( 3238 PWs) bands (ev): -3.1612 -3.1612 -3.1542 -3.1542 3.9901 3.9901 4.0295 4.0295 4.3992 4.3992 4.4455 4.4455 5.5162 5.5162 5.5276 5.5276 6.0641 6.0641 6.0837 6.0837 6.2732 6.2732 6.2862 6.2862 6.6376 6.6376 6.6702 6.6702 6.8891 6.8891 6.9284 6.9284 7.5913 7.5913 7.6189 7.6189 13.1336 13.1336 13.1397 13.1397 15.9465 15.9465 16.0933 16.0933 k = 0.5000 0.5001 0.2911 ( 3236 PWs) bands (ev): -3.1574 -3.1574 -3.1574 -3.1574 4.0111 4.0111 4.0111 4.0111 4.4214 4.4214 4.4214 4.4214 5.5244 5.5244 5.5244 5.5244 6.0776 6.0776 6.0776 6.0776 6.2800 6.2800 6.2800 6.2800 6.6540 6.6540 6.6540 6.6540 6.9028 6.9028 6.9028 6.9028 7.5996 7.5996 7.5996 7.5996 13.1377 13.1377 13.1377 13.1377 16.0190 16.0190 16.0190 16.0190 k = 0.5000 0.5001 0.2911 ( 3236 PWs) bands (ev): -3.1574 -3.1574 -3.1574 -3.1574 4.0111 4.0111 4.0111 4.0111 4.4214 4.4214 4.4214 4.4214 5.5244 5.5244 5.5244 5.5244 6.0776 6.0776 6.0776 6.0776 6.2800 6.2800 6.2800 6.2800 6.6540 6.6540 6.6540 6.6540 6.9028 6.9028 6.9028 6.9028 7.5996 7.5996 7.5996 7.5996 13.1377 13.1377 13.1377 13.1377 16.0190 16.0190 16.0190 16.0190 k = 0.5000 0.5063 0.2805 ( 3238 PWs) bands (ev): -3.1576 -3.1576 -3.1575 -3.1575 4.0071 4.0071 4.0147 4.0147 4.4175 4.4175 4.4261 4.4261 5.5235 5.5235 5.5256 5.5256 6.0733 6.0733 6.0795 6.0795 6.2747 6.2747 6.2865 6.2865 6.6512 6.6512 6.6540 6.6540 6.9002 6.9002 6.9075 6.9075 7.5908 7.5908 7.6148 7.6148 13.1278 13.1278 13.1368 13.1368 16.0087 16.0087 16.0307 16.0307 k = 0.5000 0.5124 0.2699 ( 3234 PWs) bands (ev): -3.1582 -3.1582 -3.1581 -3.1581 4.0028 4.0028 4.0179 4.0179 4.4147 4.4147 4.4318 4.4318 5.5228 5.5228 5.5270 5.5270 6.0673 6.0673 6.0790 6.0790 6.2710 6.2710 6.2938 6.2938 6.6458 6.6458 6.6517 6.6517 6.8999 6.8999 6.9138 6.9138 7.5887 7.5887 7.6362 7.6362 13.1075 13.1075 13.1252 13.1252 15.9991 15.9991 16.0431 16.0431 k = 0.5000 0.5186 0.2593 ( 3234 PWs) bands (ev): -3.1592 -3.1592 -3.1590 -3.1590 3.9981 3.9981 4.0205 4.0205 4.4129 4.4129 4.4384 4.4384 5.5224 5.5224 5.5285 5.5285 6.0599 6.0599 6.0759 6.0759 6.2690 6.2690 6.3013 6.3013 6.6377 6.6377 6.6474 6.6474 6.9022 6.9022 6.9212 6.9212 7.5933 7.5933 7.6632 7.6632 13.0769 13.0769 13.1032 13.1032 15.9884 15.9884 16.0543 16.0543 k = 0.5000 0.5248 0.2487 ( 3232 PWs) bands (ev): -3.1606 -3.1606 -3.1603 -3.1603 3.9932 3.9932 4.0226 4.0226 4.4124 4.4124 4.4460 4.4460 5.5222 5.5222 5.5302 5.5302 6.0517 6.0517 6.0704 6.0704 6.2685 6.2685 6.3083 6.3083 6.6272 6.6272 6.6415 6.6415 6.9069 6.9069 6.9294 6.9294 7.6047 7.6047 7.6955 7.6955 13.0366 13.0366 13.0710 13.0710 15.9737 15.9737 16.0604 16.0604 k = 0.5000 0.5309 0.2381 ( 3236 PWs) bands (ev): -3.1623 -3.1623 -3.1620 -3.1620 3.9879 3.9879 4.0240 4.0240 4.4133 4.4133 4.4545 4.4545 5.5223 5.5223 5.5319 5.5319 6.0431 6.0431 6.0631 6.0631 6.2690 6.2690 6.3143 6.3143 6.6147 6.6147 6.6344 6.6344 6.9139 6.9139 6.9383 6.9383 7.6227 7.6227 7.7327 7.7327 12.9872 12.9872 13.0293 13.0293 15.9516 15.9516 16.0558 16.0558 k = 0.5000 0.5371 0.2276 ( 3238 PWs) bands (ev): -3.1644 -3.1644 -3.1641 -3.1641 3.9823 3.9823 4.0247 4.0247 4.4156 4.4156 4.4640 4.4640 5.5227 5.5227 5.5338 5.5338 6.0345 6.0345 6.0544 6.0544 6.2699 6.2699 6.3188 6.3188 6.6009 6.6009 6.6265 6.6265 6.9229 6.9229 6.9476 6.9476 7.6469 7.6469 7.7743 7.7743 12.9295 12.9295 12.9786 12.9786 15.9192 15.9192 16.0344 16.0344 k = 0.5000 0.5433 0.2170 ( 3236 PWs) bands (ev): -3.1669 -3.1669 -3.1665 -3.1665 3.9764 3.9764 4.0246 4.0246 4.4197 4.4197 4.4747 4.4747 5.5234 5.5234 5.5357 5.5357 6.0260 6.0260 6.0446 6.0446 6.2708 6.2708 6.3216 6.3216 6.5861 6.5861 6.6181 6.6181 6.9338 6.9338 6.9574 6.9574 7.6768 7.6768 7.8200 7.8200 12.8641 12.8641 12.9198 12.9198 15.8746 15.8746 15.9925 15.9925 k = 0.5000 0.5433 0.2170 ( 3236 PWs) bands (ev): -3.1669 -3.1669 -3.1665 -3.1665 3.9764 3.9764 4.0246 4.0246 4.4197 4.4197 4.4747 4.4747 5.5234 5.5234 5.5357 5.5357 6.0260 6.0260 6.0446 6.0446 6.2708 6.2708 6.3216 6.3216 6.5861 6.5861 6.6181 6.6181 6.9338 6.9338 6.9574 6.9574 7.6768 7.6768 7.8200 7.8200 12.8641 12.8641 12.9198 12.9198 15.8746 15.8746 15.9925 15.9925 k = 0.5000 0.5414 0.2043 ( 3238 PWs) bands (ev): -3.1692 -3.1692 -3.1688 -3.1688 3.9841 3.9841 4.0262 4.0262 4.4334 4.4334 4.4847 4.4847 5.5352 5.5352 5.5444 5.5444 6.0261 6.0261 6.0480 6.0480 6.2695 6.2695 6.3233 6.3233 6.5790 6.5790 6.6126 6.6126 6.9270 6.9270 6.9537 6.9537 7.6806 7.6806 7.8315 7.8315 12.7496 12.7496 12.8106 12.8106 15.8605 15.8605 15.9740 15.9740 k = 0.5000 0.5395 0.1917 ( 3242 PWs) bands (ev): -3.1720 -3.1720 -3.1715 -3.1715 3.9910 3.9910 4.0271 4.0271 4.4518 4.4518 4.4989 4.4989 5.5474 5.5474 5.5537 5.5537 6.0255 6.0255 6.0491 6.0491 6.2691 6.2691 6.3244 6.3244 6.5716 6.5716 6.6065 6.6065 6.9221 6.9221 6.9522 6.9522 7.6840 7.6840 7.8423 7.8423 12.6239 12.6239 12.6896 12.6896 15.8262 15.8262 15.9278 15.9278 k = 0.5000 0.5376 0.1790 ( 3248 PWs) bands (ev): -3.1751 -3.1751 -3.1746 -3.1746 3.9971 3.9971 4.0270 4.0270 4.4748 4.4748 4.5175 4.5175 5.5600 5.5600 5.5637 5.5637 6.0241 6.0241 6.0477 6.0477 6.2697 6.2697 6.3248 6.3248 6.5641 6.5641 6.5997 6.5997 6.9192 6.9192 6.9527 6.9527 7.6873 7.6873 7.8525 7.8525 12.4904 12.4904 12.5600 12.5600 15.7733 15.7733 15.8606 15.8606 k = 0.5000 0.5358 0.1663 ( 3250 PWs) bands (ev): -3.1786 -3.1786 -3.1780 -3.1780 4.0020 4.0020 4.0262 4.0262 4.5022 4.5022 4.5404 4.5404 5.5730 5.5730 5.5742 5.5742 6.0222 6.0222 6.0440 6.0440 6.2712 6.2712 6.3247 6.3247 6.5563 6.5563 6.5921 6.5921 6.9180 6.9180 6.9549 6.9549 7.6905 7.6905 7.8620 7.8620 12.3516 12.3516 12.4246 12.4246 15.7066 15.7066 15.7806 15.7806 k = 0.5000 0.5339 0.1537 ( 3246 PWs) bands (ev): -3.1823 -3.1823 -3.1817 -3.1817 4.0057 4.0057 4.0246 4.0246 4.5336 4.5336 4.5674 4.5674 5.5852 5.5852 5.5863 5.5863 6.0199 6.0199 6.0382 6.0382 6.2735 6.2735 6.3242 6.3242 6.5484 6.5484 6.5837 6.5837 6.9184 6.9184 6.9586 6.9586 7.6938 7.6938 7.8709 7.8709 12.2099 12.2099 12.2859 12.2859 15.6311 15.6311 15.6939 15.6939 k = 0.5000 0.5320 0.1410 ( 3252 PWs) bands (ev): -3.1862 -3.1862 -3.1857 -3.1857 4.0083 4.0083 4.0223 4.0223 4.5686 4.5686 4.5981 4.5981 5.5965 5.5965 5.5998 5.5998 6.0172 6.0172 6.0305 6.0305 6.2764 6.2764 6.3232 6.3232 6.5401 6.5401 6.5743 6.5743 6.9203 6.9203 6.9636 6.9636 7.6974 7.6974 7.8791 7.8791 12.0671 12.0671 12.1457 12.1457 15.5509 15.5509 15.6047 15.6047 k = 0.5000 0.5301 0.1284 ( 3252 PWs) bands (ev): -3.1904 -3.1904 -3.1898 -3.1898 4.0099 4.0099 4.0197 4.0197 4.6068 4.6068 4.6323 4.6323 5.6080 5.6080 5.6136 5.6136 6.0145 6.0145 6.0214 6.0214 6.2796 6.2796 6.3218 6.3218 6.5316 6.5316 6.5641 6.5641 6.9236 6.9236 6.9694 6.9694 7.7015 7.7015 7.8867 7.8867 11.9250 11.9250 12.0057 12.0057 15.4690 15.4690 15.5154 15.5154 k = 0.5000 0.5283 0.1157 ( 3252 PWs) bands (ev): -3.1946 -3.1946 -3.1940 -3.1940 4.0105 4.0105 4.0168 4.0168 4.6476 4.6476 4.6694 4.6694 5.6198 5.6198 5.6276 5.6276 6.0112 6.0112 6.0119 6.0119 6.2828 6.2828 6.3201 6.3201 6.5228 6.5228 6.5528 6.5528 6.9280 6.9280 6.9758 6.9758 7.7062 7.7062 7.8937 7.8937 11.7850 11.7850 11.8672 11.8672 15.3874 15.3874 15.4278 15.4278 k = 0.5000 0.5264 0.1031 ( 3250 PWs) bands (ev): -3.1988 -3.1988 -3.1983 -3.1983 4.0103 4.0103 4.0136 4.0136 4.6905 4.6905 4.7088 4.7088 5.6317 5.6317 5.6418 5.6418 6.0004 6.0004 6.0096 6.0096 6.2858 6.2858 6.3180 6.3180 6.5136 6.5136 6.5406 6.5406 6.9333 6.9333 6.9824 6.9824 7.7117 7.7117 7.9000 7.9000 11.6482 11.6482 11.7315 11.7315 15.3075 15.3075 15.3429 15.3429 k = 0.5000 0.5245 0.0904 ( 3250 PWs) bands (ev): -3.2031 -3.2031 -3.2026 -3.2026 4.0096 4.0096 4.0105 4.0105 4.7348 4.7348 4.7499 4.7499 5.6436 5.6436 5.6562 5.6562 5.9894 5.9894 6.0078 6.0078 6.2882 6.2882 6.3154 6.3154 6.5041 6.5041 6.5274 6.5274 6.9394 6.9394 6.9889 6.9889 7.7181 7.7181 7.9056 7.9056 11.5158 11.5158 11.5995 11.5995 15.2305 15.2305 15.2616 15.2616 k = 0.5000 0.5226 0.0778 ( 3250 PWs) bands (ev): -3.2073 -3.2073 -3.2068 -3.2068 4.0073 4.0073 4.0083 4.0083 4.7800 4.7800 4.7920 4.7920 5.6555 5.6555 5.6707 5.6707 5.9785 5.9785 6.0068 6.0068 6.2899 6.2899 6.3121 6.3121 6.4943 6.4943 6.5135 6.5135 6.9460 6.9460 6.9952 6.9952 7.7256 7.7256 7.9105 7.9105 11.3890 11.3890 11.4724 11.4724 15.1572 15.1572 15.1846 15.1846 k = 0.5000 0.5208 0.0651 ( 3248 PWs) bands (ev): -3.2114 -3.2114 -3.2110 -3.2110 4.0043 4.0043 4.0066 4.0066 4.8254 4.8254 4.8345 4.8345 5.6673 5.6673 5.6854 5.6854 5.9682 5.9682 6.0068 6.0068 6.2905 6.2905 6.3078 6.3078 6.4843 6.4843 6.4991 6.4991 6.9531 6.9531 7.0010 7.0010 7.7341 7.7341 7.9144 7.9144 11.2685 11.2685 11.3508 11.3508 15.0881 15.0881 15.1123 15.1123 k = 0.5000 0.5189 0.0524 ( 3252 PWs) bands (ev): -3.2154 -3.2154 -3.2149 -3.2149 4.0015 4.0015 4.0048 4.0048 4.8702 4.8702 4.8766 4.8766 5.6789 5.6789 5.7002 5.7002 5.9588 5.9588 6.0079 6.0079 6.2897 6.2897 6.3022 6.3022 6.4743 6.4743 6.4846 6.4846 6.9603 6.9603 7.0062 7.0062 7.7438 7.7438 7.9175 7.9175 11.1555 11.1555 11.2358 11.2358 15.0238 15.0238 15.0450 15.0450 k = 0.5000 0.5170 0.0398 ( 3250 PWs) bands (ev): -3.2191 -3.2191 -3.2187 -3.2187 3.9989 3.9989 4.0028 4.0028 4.9137 4.9137 4.9176 4.9176 5.6903 5.6903 5.7149 5.7149 5.9509 5.9509 6.0105 6.0105 6.2873 6.2873 6.2949 6.2949 6.4645 6.4645 6.4703 6.4703 6.9676 6.9676 7.0106 7.0106 7.7545 7.7545 7.9194 7.9194 11.0508 11.0508 11.1280 11.1280 14.9646 14.9646 14.9833 14.9833 k = 0.5000 0.5151 0.0271 ( 3248 PWs) bands (ev): -3.2226 -3.2226 -3.2222 -3.2222 3.9965 3.9965 4.0007 4.0007 4.9551 4.9551 4.9568 4.9568 5.7013 5.7013 5.7291 5.7291 5.9451 5.9451 6.0145 6.0145 6.2831 6.2831 6.2853 6.2853 6.4551 6.4551 6.4570 6.4570 6.9748 6.9748 7.0143 7.0143 7.7663 7.7663 7.9202 7.9202 10.9552 10.9552 11.0282 11.0282 14.9110 14.9110 14.9272 14.9272 k = 0.5000 0.5133 0.0145 ( 3242 PWs) bands (ev): -3.2257 -3.2257 -3.2254 -3.2254 3.9945 3.9945 3.9987 3.9987 4.9935 4.9935 4.9937 4.9937 5.7120 5.7120 5.7425 5.7425 5.9421 5.9421 6.0199 6.0199 6.2732 6.2732 6.2767 6.2767 6.4452 6.4452 6.4464 6.4464 6.9818 6.9818 7.0172 7.0172 7.7790 7.7790 7.9197 7.9197 10.8695 10.8695 10.9372 10.9372 14.8632 14.8632 14.8771 14.8771 k = 0.5000 0.5114 0.0018 ( 3244 PWs) bands (ev): -3.2285 -3.2285 -3.2282 -3.2282 3.9928 3.9928 3.9968 3.9968 5.0269 5.0269 5.0286 5.0286 5.7221 5.7221 5.7542 5.7542 5.9428 5.9428 6.0266 6.0266 6.2583 6.2583 6.2681 6.2681 6.4354 6.4354 6.4387 6.4387 6.9884 6.9884 7.0193 7.0193 7.7923 7.7923 7.9178 7.9178 10.7945 10.7945 10.8557 10.8557 14.8215 14.8215 14.8332 14.8332 k = 0.5000 0.5095-0.0108 ( 3240 PWs) bands (ev): -3.2310 -3.2310 -3.2307 -3.2307 3.9914 3.9914 3.9950 3.9950 5.0566 5.0566 5.0591 5.0591 5.7316 5.7316 5.7636 5.7636 5.9479 5.9479 6.0341 6.0341 6.2414 6.2414 6.2573 6.2573 6.4278 6.4278 6.4321 6.4321 6.9945 6.9945 7.0206 7.0206 7.8062 7.8062 7.9143 7.9143 10.7309 10.7309 10.7842 10.7842 14.7859 14.7859 14.7956 14.7956 k = 0.5000 0.5076-0.0235 ( 3240 PWs) bands (ev): -3.2330 -3.2330 -3.2328 -3.2328 3.9903 3.9903 3.9934 3.9934 5.0818 5.0818 5.0847 5.0847 5.7404 5.7404 5.7699 5.7699 5.9578 5.9578 6.0414 6.0414 6.2237 6.2237 6.2448 6.2448 6.4222 6.4222 6.4267 6.4267 7.0001 7.0001 7.0212 7.0212 7.8203 7.8203 7.9092 7.9092 10.6793 10.6793 10.7236 10.7236 14.7568 14.7568 14.7644 14.7644 k = 0.5000 0.5058-0.0362 ( 3236 PWs) bands (ev): -3.2346 -3.2346 -3.2344 -3.2344 3.9896 3.9896 3.9920 3.9920 5.1021 5.1021 5.1049 5.1049 5.7486 5.7486 5.7731 5.7731 5.9723 5.9723 6.0466 6.0466 6.2074 6.2074 6.2311 6.2311 6.4185 6.4185 6.4224 6.4224 7.0051 7.0051 7.0210 7.0210 7.8344 7.8344 7.9026 7.9026 10.6400 10.6400 10.6743 10.6743 14.7342 14.7342 14.7399 14.7399 k = 0.5000 0.5039-0.0488 ( 3234 PWs) bands (ev): -3.2357 -3.2357 -3.2356 -3.2356 3.9892 3.9892 3.9908 3.9908 5.1171 5.1171 5.1193 5.1193 5.7559 5.7559 5.7734 5.7734 5.9900 5.9900 6.0471 6.0471 6.1957 6.1957 6.2172 6.2172 6.4164 6.4164 6.4192 6.4192 7.0095 7.0095 7.0201 7.0201 7.8481 7.8481 7.8943 7.8943 10.6136 10.6136 10.6369 10.6369 14.7183 14.7183 14.7220 14.7220 k = 0.5000 0.5020-0.0615 ( 3236 PWs) bands (ev): -3.2364 -3.2364 -3.2364 -3.2364 3.9891 3.9891 3.9900 3.9900 5.1266 5.1266 5.1277 5.1277 5.7623 5.7623 5.7714 5.7714 6.0091 6.0091 6.0405 6.0405 6.1915 6.1915 6.2045 6.2045 6.4155 6.4155 6.4170 6.4170 7.0132 7.0132 7.0185 7.0185 7.8612 7.8612 7.8846 7.8846 10.6000 10.6000 10.6119 10.6119 14.7091 14.7091 14.7109 14.7109 k = 0.5000 0.5001-0.0741 ( 3236 PWs) bands (ev): -3.2366 -3.2366 -3.2366 -3.2366 3.9894 3.9894 3.9894 3.9894 5.1301 5.1301 5.1301 5.1301 5.7675 5.7675 5.7675 5.7675 6.0271 6.0271 6.0271 6.0271 6.1951 6.1951 6.1951 6.1951 6.4157 6.4157 6.4157 6.4157 7.0162 7.0162 7.0162 7.0162 7.8735 7.8735 7.8735 7.8735 10.5995 10.5995 10.5995 10.5995 14.7066 14.7066 14.7066 14.7066 k = 0.5000 0.5001-0.0741 ( 3236 PWs) bands (ev): -3.2366 -3.2366 -3.2366 -3.2366 3.9894 3.9894 3.9894 3.9894 5.1301 5.1301 5.1301 5.1301 5.7675 5.7675 5.7675 5.7675 6.0271 6.0271 6.0271 6.0271 6.1951 6.1951 6.1951 6.1951 6.4157 6.4157 6.4157 6.4157 7.0162 7.0162 7.0162 7.0162 7.8735 7.8735 7.8735 7.8735 10.5995 10.5995 10.5995 10.5995 14.7066 14.7066 14.7066 14.7066 k = 0.4872 0.5001-0.0741 ( 3234 PWs) bands (ev): -3.2426 -3.2426 -3.2313 -3.2313 3.9833 3.9833 3.9947 3.9947 5.1154 5.1154 5.1446 5.1446 5.7497 5.7497 5.7845 5.7845 6.0094 6.0094 6.0399 6.0399 6.1750 6.1750 6.2146 6.2146 6.4006 6.4006 6.4328 6.4328 7.0031 7.0031 7.0350 7.0350 7.8081 7.8081 7.9416 7.9416 10.5791 10.5791 10.6266 10.6266 14.6799 14.6799 14.7381 14.7381 k = 0.4744 0.5001-0.0741 ( 3240 PWs) bands (ev): -3.2491 -3.2491 -3.2266 -3.2266 3.9766 3.9766 3.9992 3.9992 5.1003 5.1003 5.1587 5.1587 5.7314 5.7314 5.8000 5.8000 5.9889 5.9889 6.0452 6.0452 6.1570 6.1570 6.2324 6.2324 6.3885 6.3885 6.4511 6.4511 6.9956 6.9956 7.0592 7.0592 7.7461 7.7461 8.0119 8.0119 10.5659 10.5659 10.6603 10.6603 14.6579 14.6579 14.7743 14.7743 k = 0.4615 0.5001-0.0741 ( 3244 PWs) bands (ev): -3.2563 -3.2563 -3.2226 -3.2226 3.9694 3.9694 4.0028 4.0028 5.0849 5.0849 5.1725 5.1725 5.7129 5.7129 5.8128 5.8128 5.9670 5.9670 6.0389 6.0389 6.1450 6.1450 6.2476 6.2476 6.3807 6.3807 6.4699 6.4699 6.9935 6.9935 7.0883 7.0883 7.6879 7.6879 8.0838 8.0838 10.5601 10.5601 10.7003 10.7003 14.6409 14.6409 14.8150 14.8150 k = 0.4487 0.5001-0.0741 ( 3242 PWs) bands (ev): -3.2640 -3.2640 -3.2192 -3.2192 3.9619 3.9619 4.0053 4.0053 5.0691 5.0691 5.1859 5.1859 5.6941 5.6941 5.8203 5.8203 5.9462 5.9462 6.0202 6.0202 6.1407 6.1407 6.2597 6.2597 6.3790 6.3790 6.4891 6.4891 6.9965 6.9965 7.1216 7.1216 7.6343 7.6343 8.1567 8.1567 10.5622 10.5622 10.7464 10.7464 14.6288 14.6288 14.8603 14.8603 k = 0.4359 0.5001-0.0741 ( 3250 PWs) bands (ev): -3.2723 -3.2723 -3.2165 -3.2165 3.9540 3.9540 4.0069 4.0069 5.0527 5.0527 5.1988 5.1988 5.6750 5.6750 5.8186 5.8186 5.9300 5.9300 5.9930 5.9930 6.1411 6.1411 6.2682 6.2682 6.3842 6.3842 6.5085 6.5085 7.0038 7.0038 7.1578 7.1578 7.5862 7.5862 8.2298 8.2298 10.5724 10.5724 10.7983 10.7983 14.6217 14.6217 14.9099 14.9099 k = 0.4231 0.5001-0.0741 ( 3256 PWs) bands (ev): -3.2810 -3.2810 -3.2144 -3.2144 3.9459 3.9459 4.0073 4.0073 5.0358 5.0358 5.2110 5.2110 5.6552 5.6552 5.8041 5.8041 5.9210 5.9210 5.9629 5.9629 6.1434 6.1434 6.2737 6.2737 6.3965 6.3965 6.5279 6.5279 7.0151 7.0151 7.1951 7.1951 7.5449 7.5449 8.3024 8.3024 10.5912 10.5912 10.8558 10.8558 14.6195 14.6195 14.9638 14.9638 k = 0.4103 0.5001-0.0741 ( 3258 PWs) bands (ev): -3.2902 -3.2902 -3.2130 -3.2130 3.9378 3.9378 4.0068 4.0068 5.0183 5.0183 5.2223 5.2223 5.6344 5.6344 5.7781 5.7781 5.9117 5.9117 5.9389 5.9389 6.1463 6.1463 6.2772 6.2772 6.4145 6.4145 6.5474 6.5474 7.0298 7.0298 7.2308 7.2308 7.5132 7.5132 8.3739 8.3739 10.6190 10.6190 10.9189 10.9189 14.6223 14.6223 15.0219 15.0219 k = 0.3974 0.5001-0.0741 ( 3260 PWs) bands (ev): -3.2998 -3.2998 -3.2121 -3.2121 3.9297 3.9297 4.0052 4.0052 5.0001 5.0001 5.2324 5.2324 5.6118 5.6118 5.7450 5.7450 5.8870 5.8870 5.9342 5.9342 6.1493 6.1493 6.2799 6.2799 6.4368 6.4368 6.5670 6.5670 7.0476 7.0476 7.2602 7.2602 7.4956 7.4956 8.4436 8.4436 10.6562 10.6562 10.9871 10.9871 14.6301 14.6301 15.0839 15.0839 k = 0.3846 0.5001-0.0741 ( 3260 PWs) bands (ev): -3.3098 -3.3098 -3.2119 -3.2119 3.9217 3.9217 4.0026 4.0026 4.9812 4.9812 5.2408 5.2408 5.5867 5.5867 5.7088 5.7088 5.8578 5.8578 5.9366 5.9366 6.1524 6.1524 6.2826 6.2826 6.4617 6.4617 6.5867 6.5867 7.0680 7.0680 7.2774 7.2774 7.4980 7.4980 8.5109 8.5109 10.7031 10.7031 11.0604 11.0604 14.6429 14.6429 15.1498 15.1498 k = 0.3718 0.5001-0.0741 ( 3264 PWs) bands (ev): -3.3201 -3.3201 -3.2123 -3.2123 3.9138 3.9138 3.9990 3.9990 4.9616 4.9616 5.2470 5.2470 5.5582 5.5582 5.6722 5.6722 5.8304 5.8304 5.9395 5.9395 6.1556 6.1556 6.2858 6.2858 6.4879 6.4879 6.6065 6.6065 7.0905 7.0905 7.2810 7.2810 7.5223 7.5223 8.5752 8.5752 10.7599 10.7599 11.1385 11.1385 14.6605 14.6605 15.2195 15.2195 k = 0.3590 0.5001-0.0741 ( 3264 PWs) bands (ev): -3.3307 -3.3307 -3.2132 -3.2132 3.9061 3.9061 3.9947 3.9947 4.9414 4.9414 5.2503 5.2503 5.5255 5.5255 5.6375 5.6375 5.8065 5.8065 5.9416 5.9416 6.1588 6.1588 6.2896 6.2896 6.5140 6.5140 6.6266 6.6266 7.1145 7.1145 7.2767 7.2767 7.5635 7.5635 8.6363 8.6363 10.8267 10.8267 11.2211 11.2211 14.6830 14.6830 15.2926 15.2926 k = 0.3462 0.5001-0.0741 ( 3266 PWs) bands (ev): -3.3415 -3.3415 -3.2146 -3.2146 3.8985 3.8985 3.9896 3.9896 4.9206 4.9206 5.2496 5.2496 5.4888 5.4888 5.6063 5.6063 5.7864 5.7864 5.9426 5.9426 6.1616 6.1616 6.2942 6.2942 6.5386 6.5386 6.6474 6.6474 7.1383 7.1383 7.2725 7.2725 7.6155 7.6155 8.6937 8.6937 10.9036 10.9036 11.3079 11.3079 14.7101 14.7101 15.3692 15.3692 k = 0.3333 0.5001-0.0741 ( 3268 PWs) bands (ev): -3.3525 -3.3525 -3.2165 -3.2165 3.8911 3.8911 3.9839 3.9839 4.8992 4.8992 5.2440 5.2440 5.4492 5.4492 5.5793 5.5793 5.7704 5.7704 5.9426 5.9426 6.1640 6.1640 6.2993 6.2993 6.5601 6.5601 6.6691 6.6691 7.1589 7.1589 7.2757 7.2757 7.6747 7.6747 8.7475 8.7475 10.9904 10.9904 11.3987 11.3987 14.7418 14.7418 15.4488 15.4488 k = 0.3205 0.5001-0.0741 ( 3262 PWs) bands (ev): -3.3636 -3.3636 -3.2189 -3.2189 3.8838 3.8838 3.9777 3.9777 4.8775 4.8775 5.2323 5.2323 5.4085 5.4085 5.5569 5.5569 5.7583 5.7583 5.9417 5.9417 6.1659 6.1659 6.3049 6.3049 6.5775 6.5775 6.6920 6.6920 7.1728 7.1728 7.2919 7.2919 7.7390 7.7390 8.7977 8.7977 11.0869 11.0869 11.4932 11.4932 14.7778 14.7778 15.5314 15.5314 k = 0.3077 0.5001-0.0741 ( 3264 PWs) bands (ev): -3.3748 -3.3748 -3.2216 -3.2216 3.8766 3.8766 3.9712 3.9712 4.8555 4.8555 5.2137 5.2137 5.3682 5.3682 5.5392 5.5392 5.7496 5.7496 5.9400 5.9400 6.1671 6.1671 6.3107 6.3107 6.5902 6.5902 6.7156 6.7156 7.1800 7.1800 7.3221 7.3221 7.8075 7.8075 8.8444 8.8444 11.1926 11.1926 11.5909 11.5909 14.8178 14.8178 15.6167 15.6167 k = 0.2949 0.5001-0.0741 ( 3266 PWs) bands (ev): -3.3860 -3.3860 -3.2247 -3.2247 3.8694 3.8694 3.9645 3.9645 4.8333 4.8333 5.1883 5.1883 5.3294 5.3294 5.5259 5.5259 5.7440 5.7440 5.9378 5.9378 6.1676 6.1676 6.3165 6.3165 6.5984 6.5984 6.7392 6.7392 7.1842 7.1842 7.3629 7.3629 7.8799 7.8799 8.8881 8.8881 11.3071 11.3071 11.6915 11.6915 14.8613 14.8613 15.7043 15.7043 k = 0.2821 0.5001-0.0741 ( 3262 PWs) bands (ev): -3.3972 -3.3972 -3.2282 -3.2282 3.8621 3.8621 3.9578 3.9578 4.8111 4.8111 5.1568 5.1568 5.2926 5.2926 5.5166 5.5166 5.7412 5.7412 5.9351 5.9351 6.1676 6.1676 6.3220 6.3220 6.6028 6.6028 6.7621 6.7621 7.1883 7.1883 7.4114 7.4114 7.9559 7.9559 8.9290 8.9290 11.4299 11.4299 11.7945 11.7945 14.9078 14.9078 15.7939 15.7939 k = 0.2692 0.5001-0.0741 ( 3270 PWs) bands (ev): -3.4083 -3.4083 -3.2319 -3.2319 3.8547 3.8547 3.9512 3.9512 4.7891 4.7891 5.1209 5.1209 5.2576 5.2576 5.5104 5.5104 5.7406 5.7406 5.9321 5.9321 6.1671 6.1671 6.3268 6.3268 6.6040 6.6040 6.7837 6.7837 7.1936 7.1936 7.4656 7.4656 8.0353 8.0353 8.9676 8.9676 11.5604 11.5604 11.8995 11.8995 14.9564 14.9564 15.8850 15.8850 k = 0.2564 0.5001-0.0741 ( 3268 PWs) bands (ev): -3.4192 -3.4192 -3.2358 -3.2358 3.8469 3.8469 3.9449 3.9449 4.7673 4.7673 5.0824 5.0824 5.2240 5.2240 5.5065 5.5065 5.7421 5.7421 5.9289 5.9289 6.1661 6.1661 6.3308 6.3308 6.6028 6.6028 6.8036 6.8036 7.2004 7.2004 7.5244 7.5244 8.1180 8.1180 9.0043 9.0043 11.6980 11.6980 12.0060 12.0060 15.0057 15.0057 15.9770 15.9770 k = 0.2436 0.5001-0.0741 ( 3264 PWs) bands (ev): -3.4300 -3.4300 -3.2399 -3.2399 3.8388 3.8388 3.9391 3.9391 4.7460 4.7460 5.0428 5.0428 5.1918 5.1918 5.5042 5.5042 5.7453 5.7453 5.9256 5.9256 6.1649 6.1649 6.3339 6.3339 6.5998 6.5998 6.8215 6.8215 7.2085 7.2085 7.5868 7.5868 8.2038 8.2038 9.0398 9.0398 11.8421 11.8421 12.1134 12.1134 15.0535 15.0535 16.0690 16.0690 k = 0.2308 0.5001-0.0741 ( 3264 PWs) bands (ev): -3.4405 -3.4405 -3.2442 -3.2442 3.8304 3.8304 3.9337 3.9337 4.7253 4.7253 5.0031 5.0031 5.1606 5.1606 5.5028 5.5028 5.7498 5.7498 5.9222 5.9222 6.1633 6.1633 6.3357 6.3357 6.5957 6.5957 6.8375 6.8375 7.2177 7.2177 7.6519 7.6519 8.2925 8.2925 9.0744 9.0744 11.9921 11.9921 12.2210 12.2210 15.0965 15.0965 16.1581 16.1581 k = 0.2179 0.5001-0.0741 ( 3264 PWs) bands (ev): -3.4508 -3.4508 -3.2485 -3.2485 3.8216 3.8216 3.9289 3.9289 4.7051 4.7051 4.9643 4.9643 5.1305 5.1305 5.5021 5.5021 5.7555 5.7555 5.9190 5.9190 6.1615 6.1615 6.3363 6.3363 6.5911 6.5911 6.8517 6.8517 7.2275 7.2275 7.7188 7.7188 8.3840 8.3840 9.1087 9.1087 12.1471 12.1471 12.3284 12.3284 15.1287 15.1287 16.1939 16.1939 k = 0.2051 0.5001-0.0741 ( 3264 PWs) bands (ev): -3.4607 -3.4607 -3.2529 -3.2529 3.8124 3.8124 3.9247 3.9247 4.6858 4.6858 4.9268 4.9268 5.1017 5.1017 5.5016 5.5016 5.7620 5.7620 5.9158 5.9158 6.1596 6.1596 6.3356 6.3356 6.5864 6.5864 6.8642 6.8642 7.2376 7.2376 7.7866 7.7866 8.4779 8.4779 9.1432 9.1432 12.3064 12.3064 12.4350 12.4350 15.1410 15.1410 16.0681 16.0681 k = 0.1923 0.5001-0.0741 ( 3262 PWs) bands (ev): -3.4703 -3.4703 -3.2573 -3.2573 3.8029 3.8029 3.9210 3.9210 4.6673 4.6673 4.8911 4.8911 5.0741 5.0741 5.5013 5.5013 5.7691 5.7691 5.9130 5.9130 6.1575 6.1575 6.3335 6.3335 6.5819 6.5819 6.8752 6.8752 7.2477 7.2477 7.8543 7.8543 8.5739 8.5739 9.1782 9.1782 12.4673 12.4673 12.5417 12.5417 15.1218 15.1218 15.9658 15.9658 k = 0.1795 0.5001-0.0741 ( 3256 PWs) bands (ev): -3.4795 -3.4795 -3.2616 -3.2616 3.7933 3.7933 3.9179 3.9179 4.6497 4.6497 4.8574 4.8574 5.0480 5.0480 5.5010 5.5010 5.7765 5.7765 5.9106 5.9106 6.1554 6.1554 6.3302 6.3302 6.5778 6.5778 6.8847 6.8847 7.2576 7.2576 7.9210 7.9210 8.6714 8.6714 9.2142 9.2142 12.6143 12.6143 12.6625 12.6625 15.0638 15.0638 15.8756 15.8756 k = 0.1667 0.5001-0.0741 ( 3256 PWs) bands (ev): -3.4882 -3.4882 -3.2658 -3.2658 3.7837 3.7837 3.9151 3.9151 4.6331 4.6331 4.8260 4.8260 5.0232 5.0232 5.5006 5.5006 5.7838 5.7838 5.9086 5.9086 6.1532 6.1532 6.3257 6.3257 6.5743 6.5743 6.8931 6.8931 7.2671 7.2671 7.9858 7.9858 8.7699 8.7699 9.2514 9.2514 12.7213 12.7213 12.8213 12.8213 14.9715 14.9715 15.7287 15.7287 k = 0.1538 0.5001-0.0741 ( 3258 PWs) bands (ev): -3.4964 -3.4964 -3.2699 -3.2699 3.7741 3.7741 3.9128 3.9128 4.6174 4.6174 4.7970 4.7970 5.0000 5.0000 5.5001 5.5001 5.7909 5.7909 5.9074 5.9074 6.1510 6.1510 6.3203 6.3203 6.5714 6.5714 6.9003 6.9003 7.2761 7.2761 8.0479 8.0479 8.8689 8.8689 9.2901 9.2901 12.8120 12.8120 12.9921 12.9921 14.8585 14.8585 15.5613 15.5613 k = 0.1410 0.5001-0.0741 ( 3262 PWs) bands (ev): -3.5041 -3.5041 -3.2738 -3.2738 3.7647 3.7647 3.9108 3.9108 4.6027 4.6027 4.7706 4.7706 4.9784 4.9784 5.4995 5.4995 5.7975 5.7975 5.9069 5.9069 6.1487 6.1487 6.3142 6.3142 6.5690 6.5690 6.9066 6.9066 7.2844 7.2844 8.1064 8.1064 8.9674 8.9674 9.3302 9.3302 12.8928 12.8928 13.1657 13.1657 14.7381 14.7381 15.3982 15.3982 k = 0.1282 0.5001-0.0741 ( 3262 PWs) bands (ev): -3.5112 -3.5112 -3.2775 -3.2775 3.7557 3.7557 3.9091 3.9091 4.5891 4.5891 4.7468 4.7468 4.9584 4.9584 5.4989 5.4989 5.8034 5.8034 5.9074 5.9074 6.1466 6.1466 6.3076 6.3076 6.5672 6.5672 6.9120 6.9120 7.2921 7.2921 8.1608 8.1608 9.0646 9.0646 9.3717 9.3717 12.9627 12.9627 13.3394 13.3394 14.6206 14.6206 15.2452 15.2452 k = 0.1154 0.5001-0.0741 ( 3260 PWs) bands (ev): -3.5177 -3.5177 -3.2809 -3.2809 3.7471 3.7471 3.9075 3.9075 4.5765 4.5765 4.7256 4.7256 4.9401 4.9401 5.4982 5.4982 5.8083 5.8083 5.9088 5.9088 6.1445 6.1445 6.3007 6.3007 6.5658 6.5658 6.9166 6.9166 7.2990 7.2990 8.2104 8.2104 9.1593 9.1593 9.4141 9.4141 13.0196 13.0196 13.5106 13.5106 14.5133 14.5133 15.1058 15.1058 k = 0.1026 0.5001-0.0741 ( 3260 PWs) bands (ev): -3.5237 -3.5237 -3.2841 -3.2841 3.7392 3.7392 3.9062 3.9062 4.5650 4.5650 4.7071 4.7071 4.9236 4.9236 5.4975 5.4975 5.8123 5.8123 5.9110 5.9110 6.1424 6.1424 6.2938 6.2938 6.5649 6.5649 6.9206 6.9206 7.3051 7.3051 8.2548 8.2548 9.2503 9.2503 9.4571 9.4571 13.0614 13.0614 13.6753 13.6753 14.4221 14.4221 14.9843 14.9843 k = 0.0897 0.5001-0.0741 ( 3262 PWs) bands (ev): -3.5289 -3.5289 -3.2870 -3.2870 3.7319 3.7319 3.9051 3.9051 4.5546 4.5546 4.6911 4.6911 4.9089 4.9089 5.4967 5.4967 5.8154 5.8154 5.9140 5.9140 6.1405 6.1405 6.2871 6.2871 6.5642 6.5642 6.9239 6.9239 7.3105 7.3105 8.2938 8.2938 9.3360 9.3360 9.4998 9.4998 13.0867 13.0867 13.8267 13.8267 14.3514 14.3514 14.8878 14.8878 k = 0.0769 0.5001-0.0741 ( 3262 PWs) bands (ev): -3.5336 -3.5336 -3.2895 -3.2895 3.7253 3.7253 3.9040 3.9040 4.5455 4.5455 4.6775 4.6775 4.8961 4.8961 5.4959 5.4959 5.8176 5.8176 5.9174 5.9174 6.1387 6.1387 6.2808 6.2808 6.5637 6.5637 6.9267 6.9267 7.3152 7.3152 8.3274 8.3274 9.4144 9.4144 9.5416 9.5416 13.0956 13.0956 13.9526 13.9526 14.3034 14.3034 14.8281 14.8281 k = 0.0641 0.5001-0.0741 ( 3258 PWs) bands (ev): -3.5375 -3.5375 -3.2917 -3.2917 3.7197 3.7197 3.9032 3.9032 4.5376 4.5376 4.6664 4.6664 4.8851 4.8851 5.4952 5.4952 5.8191 5.8191 5.9210 5.9210 6.1371 6.1371 6.2751 6.2751 6.5635 6.5635 6.9289 6.9289 7.3191 7.3191 8.3556 8.3556 9.4833 9.4833 9.5818 9.5818 13.0903 13.0903 14.0390 14.0390 14.2748 14.2748 14.8228 14.8228 k = 0.0513 0.5001-0.0741 ( 3252 PWs) bands (ev): -3.5408 -3.5408 -3.2935 -3.2935 3.7150 3.7150 3.9025 3.9025 4.5310 4.5310 4.6575 4.6575 4.8761 4.8761 5.4946 5.4946 5.8201 5.8201 5.9245 5.9245 6.1356 6.1356 6.2702 6.2702 6.5633 6.5633 6.9308 6.9308 7.3222 7.3222 8.3783 8.3783 9.5404 9.5404 9.6199 9.6199 13.0753 13.0753 14.0845 14.0845 14.2535 14.2535 14.8827 14.8827 k = 0.0385 0.5001-0.0741 ( 3256 PWs) bands (ev): -3.5433 -3.5433 -3.2950 -3.2950 3.7112 3.7112 3.9019 3.9019 4.5258 4.5258 4.6507 4.6507 4.8691 4.8691 5.4940 5.4940 5.8206 5.8206 5.9276 5.9276 6.1345 6.1345 6.2663 6.2663 6.5632 6.5632 6.9321 6.9321 7.3246 7.3246 8.3958 8.3958 9.5836 9.5836 9.6545 9.6545 13.0560 13.0560 14.1052 14.1052 14.2298 14.2298 14.9970 14.9970 k = 0.0256 0.5001-0.0741 ( 3254 PWs) bands (ev): -3.5451 -3.5451 -3.2960 -3.2960 3.7085 3.7085 3.9015 3.9015 4.5221 4.5221 4.6459 4.6459 4.8640 4.8640 5.4936 5.4936 5.8210 5.8210 5.9300 5.9300 6.1336 6.1336 6.2634 6.2634 6.5631 6.5631 6.9331 6.9331 7.3264 7.3264 8.4082 8.4082 9.6131 9.6131 9.6829 9.6829 13.0379 13.0379 14.1156 14.1156 14.2065 14.2065 15.1440 15.1440 k = 0.0128 0.5001-0.0741 ( 3250 PWs) bands (ev): -3.5462 -3.5462 -3.2966 -3.2966 3.7069 3.7069 3.9012 3.9012 4.5198 4.5198 4.6430 4.6430 4.8610 4.8610 5.4934 5.4934 5.8212 5.8212 5.9315 5.9315 6.1330 6.1330 6.2616 6.2616 6.5631 6.5631 6.9337 6.9337 7.3274 7.3274 8.4156 8.4156 9.6301 9.6301 9.7016 9.7016 13.0252 13.0252 14.1213 14.1213 14.1895 14.1895 15.3055 15.3055 k = 0.0000 0.5001-0.0741 ( 3242 PWs) bands (ev): -3.5466 -3.5466 -3.2968 -3.2968 3.7063 3.7063 3.9012 3.9012 4.5190 4.5190 4.6421 4.6421 4.8600 4.8600 5.4933 5.4933 5.8212 5.8212 5.9320 5.9320 6.1329 6.1329 6.2610 6.2610 6.5632 6.5632 6.9339 6.9339 7.3278 7.3278 8.4181 8.4181 9.6356 9.6356 9.7081 9.7081 13.0206 13.0206 14.1232 14.1232 14.1834 14.1834 15.4300 15.4300 k = 0.0000 0.5001-0.0741 ( 3242 PWs) bands (ev): -3.5466 -3.5466 -3.2968 -3.2968 3.7063 3.7063 3.9012 3.9012 4.5190 4.5190 4.6421 4.6421 4.8600 4.8600 5.4933 5.4933 5.8212 5.8212 5.9320 5.9320 6.1329 6.1329 6.2610 6.2610 6.5632 6.5632 6.9339 6.9339 7.3278 7.3278 8.4181 8.4181 9.6356 9.6356 9.7081 9.7081 13.0206 13.0206 14.1232 14.1232 14.1834 14.1834 15.4300 15.4300 k = 0.0000 0.5020-0.0615 ( 3246 PWs) bands (ev): -3.5461 -3.5461 -3.2969 -3.2969 3.6997 3.6997 3.9026 3.9026 4.5226 4.5226 4.6425 4.6425 4.8596 4.8596 5.4934 5.4934 5.8185 5.8185 5.9292 5.9292 6.1335 6.1335 6.2611 6.2611 6.5629 6.5629 6.9147 6.9147 7.3526 7.3526 8.4239 8.4239 9.6361 9.6361 9.7088 9.7088 13.0203 13.0203 14.0725 14.0725 14.2299 14.2299 15.4234 15.4234 k = 0.0000 0.5039-0.0488 ( 3249 PWs) bands (ev): -3.5444 -3.5444 -3.2971 -3.2971 3.6809 3.6809 3.9063 3.9063 4.5327 4.5327 4.6437 4.6437 4.8582 4.8582 5.4935 5.4935 5.8094 5.8094 5.9222 5.9222 6.1354 6.1354 6.2613 6.2613 6.5619 6.5619 6.8689 6.8689 7.4152 7.4152 8.4413 8.4413 9.6377 9.6377 9.7109 9.7109 13.0190 13.0190 13.9970 13.9970 14.2931 14.2931 15.4044 15.4044 k = 0.0000 0.5058-0.0362 ( 3253 PWs) bands (ev): -3.5417 -3.5417 -3.2974 -3.2974 3.6524 3.6524 3.9107 3.9107 4.5474 4.5474 4.6465 4.6465 4.8559 4.8559 5.4930 5.4930 5.7920 5.7920 5.9144 5.9144 6.1380 6.1380 6.2617 6.2617 6.5602 6.5602 6.8143 6.8143 7.4974 7.4974 8.4706 8.4706 9.6404 9.6404 9.7143 9.7143 13.0163 13.0163 13.9173 13.9173 14.3537 14.3537 15.3743 15.3743 k = 0.0000 0.5076-0.0235 ( 3255 PWs) bands (ev): -3.5380 -3.5380 -3.2979 -3.2979 3.6169 3.6169 3.9147 3.9147 4.5638 4.5638 4.6519 4.6519 4.8527 4.8527 5.4906 5.4906 5.7659 5.7659 5.9089 5.9089 6.1407 6.1407 6.2622 6.2622 6.5574 6.5574 6.7615 6.7615 7.5881 7.5881 8.5119 8.5119 9.6440 9.6440 9.7191 9.7191 13.0110 13.0110 13.8365 13.8365 14.4108 14.4108 15.3351 15.3351 k = 0.0000 0.5095-0.0108 ( 3249 PWs) bands (ev): -3.5332 -3.5332 -3.2985 -3.2985 3.5767 3.5767 3.9177 3.9177 4.5782 4.5782 4.6619 4.6619 4.8486 4.8486 5.4840 5.4840 5.7340 5.7340 5.9070 5.9070 6.1432 6.1432 6.2629 6.2629 6.5530 6.5530 6.7155 6.7155 7.6813 7.6813 8.5652 8.5652 9.6487 9.6487 9.7254 9.7254 13.0017 13.0017 13.7570 13.7570 14.4646 14.4646 15.2884 15.2884 k = 0.0000 0.5114 0.0018 ( 3245 PWs) bands (ev): -3.5274 -3.5274 -3.2993 -3.2993 3.5335 3.5335 3.9194 3.9194 4.5880 4.5880 4.6768 4.6768 4.8437 4.8437 5.4691 5.4691 5.7027 5.7027 5.9083 5.9083 6.1454 6.1454 6.2635 6.2635 6.5466 6.5466 6.6785 6.6785 7.7739 7.7739 8.6303 8.6303 9.6543 9.6543 9.7332 9.7332 12.9860 12.9860 13.6821 13.6821 14.5156 14.5156 15.2362 15.2362 k = 0.0000 0.5133 0.0145 ( 3243 PWs) bands (ev): -3.5206 -3.5206 -3.3003 -3.3003 3.4886 3.4886 3.9197 3.9197 4.5931 4.5931 4.6947 4.6947 4.8381 4.8381 5.4414 5.4414 5.6796 5.6796 5.9120 5.9120 6.1471 6.1471 6.2643 6.2643 6.5376 6.5376 6.6513 6.6513 7.8641 7.8641 8.7064 8.7064 9.6611 9.6611 9.7424 9.7424 12.9611 12.9611 13.6153 13.6153 14.5645 14.5645 15.1801 15.1801 k = 0.0000 0.5151 0.0271 ( 3249 PWs) bands (ev): -3.5128 -3.5128 -3.3016 -3.3016 3.4432 3.4432 3.9186 3.9186 4.5949 4.5949 4.7122 4.7122 4.8319 4.8319 5.4001 5.4001 5.6686 5.6686 5.9177 5.9177 6.1485 6.1485 6.2650 6.2650 6.5264 6.5264 6.6328 6.6328 7.9511 7.9511 8.7920 8.7920 9.6690 9.6690 9.7533 9.7533 12.9239 12.9239 13.5602 13.5602 14.6118 14.6118 15.1216 15.1216 k = 0.0000 0.5170 0.0398 ( 3249 PWs) bands (ev): -3.5042 -3.5042 -3.3032 -3.3032 3.3982 3.3982 3.9160 3.9160 4.5948 4.5948 4.7258 4.7258 4.8255 4.8255 5.3492 5.3492 5.6687 5.6687 5.9249 5.9249 6.1498 6.1498 6.2658 6.2658 6.5144 6.5144 6.6210 6.6210 8.0352 8.0352 8.8850 8.8850 9.6784 9.6784 9.7657 9.7657 12.8727 12.8727 13.5194 13.5194 14.6576 14.6576 15.0624 15.0624 k = 0.0000 0.5189 0.0524 ( 3256 PWs) bands (ev): -3.4948 -3.4948 -3.3051 -3.3051 3.3543 3.3543 3.9118 3.9118 4.5935 4.5935 4.7323 4.7323 4.8195 4.8195 5.2951 5.2951 5.6768 5.6768 5.9336 5.9336 6.1510 6.1510 6.2666 6.2666 6.5029 6.5029 6.6136 6.6136 8.1167 8.1167 8.9828 8.9828 9.6896 9.6896 9.7800 9.7800 12.8074 12.8074 13.4934 13.4934 14.7019 14.7019 15.0037 15.0037 k = 0.0000 0.5208 0.0651 ( 3262 PWs) bands (ev): -3.4846 -3.4846 -3.3074 -3.3074 3.3121 3.3121 3.9058 3.9058 4.5915 4.5915 4.7292 4.7292 4.8140 4.8140 5.2431 5.2431 5.6901 5.6901 5.9435 5.9435 6.1524 6.1524 6.2675 6.2675 6.4928 6.4928 6.6087 6.6087 8.1965 8.1965 9.0821 9.0821 9.7030 9.7030 9.7964 9.7964 12.7302 12.7302 13.4807 13.4807 14.7433 14.7433 14.9474 14.9474 k = 0.0000 0.5226 0.0778 ( 3262 PWs) bands (ev): -3.4737 -3.4737 -3.3100 -3.3100 3.2721 3.2721 3.8977 3.8977 4.5891 4.5891 4.7158 4.7158 4.8086 4.8086 5.1975 5.1975 5.7069 5.7069 5.9545 5.9545 6.1540 6.1540 6.2685 6.2685 6.4844 6.4844 6.6054 6.6054 8.2755 8.2755 9.1793 9.1793 9.7191 9.7191 9.8159 9.8159 12.6442 12.6442 13.4788 13.4788 14.7776 14.7776 14.8980 14.8980 k = 0.0000 0.5245 0.0904 ( 3259 PWs) bands (ev): -3.4621 -3.4621 -3.3130 -3.3130 3.2348 3.2348 3.8873 3.8873 4.5864 4.5864 4.6927 4.6927 4.8022 4.8022 5.1606 5.1606 5.7257 5.7257 5.9665 5.9665 6.1560 6.1560 6.2695 6.2695 6.4777 6.4777 6.6031 6.6031 8.3541 8.3541 9.2702 9.2702 9.7381 9.7381 9.8400 9.8400 12.5525 12.5525 13.4854 13.4854 14.7874 14.7874 14.8716 14.8716 k = 0.0000 0.5264 0.1031 ( 3258 PWs) bands (ev): -3.4501 -3.4501 -3.3164 -3.3164 3.2004 3.2004 3.8742 3.8742 4.5831 4.5831 4.6620 4.6620 4.7946 4.7946 5.1327 5.1327 5.7458 5.7458 5.9792 5.9792 6.1585 6.1585 6.2707 6.2707 6.4728 6.4728 6.6012 6.6012 8.4330 8.4330 9.3506 9.3506 9.7594 9.7594 9.8712 9.8712 12.4580 12.4580 13.4983 13.4983 14.7579 14.7579 14.8811 14.8811 k = 0.0000 0.5283 0.1157 ( 3262 PWs) bands (ev): -3.4378 -3.4378 -3.3201 -3.3201 3.1694 3.1694 3.8580 3.8580 4.5782 4.5782 4.6273 4.6273 4.7860 4.7860 5.1128 5.1128 5.7662 5.7662 5.9926 5.9926 6.1614 6.1614 6.2719 6.2719 6.4693 6.4693 6.5996 6.5996 8.5124 8.5124 9.4169 9.4169 9.7810 9.7810 9.9123 9.9123 12.3631 12.3631 13.5160 13.5160 14.7161 14.7161 14.8973 14.8973 k = 0.0000 0.5301 0.1284 ( 3259 PWs) bands (ev): -3.4253 -3.4253 -3.3242 -3.3242 3.1420 3.1420 3.8385 3.8385 4.5654 4.5654 4.5978 4.5978 4.7771 4.7771 5.0989 5.0989 5.7865 5.7865 6.0063 6.0063 6.1647 6.1647 6.2731 6.2731 6.4672 6.4672 6.5981 6.5981 8.5926 8.5926 9.4683 9.4683 9.8013 9.8013 9.9639 9.9639 12.2701 12.2701 13.5376 13.5376 14.6748 14.6748 14.9050 14.9050 k = 0.0000 0.5320 0.1410 ( 3260 PWs) bands (ev): -3.4130 -3.4130 -3.3282 -3.3282 3.1184 3.1184 3.8152 3.8152 4.5354 4.5354 4.5859 4.5859 4.7681 4.7681 5.0890 5.0890 5.8061 5.8061 6.0201 6.0201 6.1684 6.1684 6.2744 6.2744 6.4664 6.4664 6.5966 6.5966 8.6734 8.6734 9.5060 9.5060 9.8193 9.8193 10.0226 10.0226 12.1810 12.1810 13.5622 13.5622 14.6368 14.6368 14.9008 14.9008 k = 0.0000 0.5339 0.1537 ( 3259 PWs) bands (ev): -3.4015 -3.4015 -3.3318 -3.3318 3.0987 3.0987 3.7884 3.7884 4.5003 4.5003 4.5814 4.5814 4.7594 4.7594 5.0817 5.0817 5.8248 5.8248 6.0338 6.0338 6.1725 6.1725 6.2758 6.2758 6.4666 6.4666 6.5951 6.5951 8.7547 8.7547 9.5332 9.5332 9.8353 9.8353 10.0828 10.0828 12.0982 12.0982 13.5892 13.5892 14.6031 14.6031 14.8846 14.8846 k = 0.0000 0.5358 0.1663 ( 3257 PWs) bands (ev): -3.3920 -3.3920 -3.3339 -3.3339 3.0832 3.0832 3.7582 3.7582 4.4673 4.4673 4.5786 4.5786 4.7512 4.7512 5.0760 5.0760 5.8423 5.8423 6.0469 6.0469 6.1767 6.1767 6.2772 6.2772 6.4679 6.4679 6.5934 6.5934 8.8361 8.8361 9.5524 9.5524 9.8496 9.8496 10.1386 10.1386 12.0239 12.0239 13.6184 13.6184 14.5740 14.5740 14.8575 14.8575 k = 0.0000 0.5376 0.1790 ( 3255 PWs) bands (ev): -3.3862 -3.3862 -3.3327 -3.3327 3.0719 3.0719 3.7250 3.7250 4.4383 4.4383 4.5763 4.5763 4.7438 4.7438 5.0715 5.0715 5.8583 5.8583 6.0592 6.0592 6.1812 6.1812 6.2787 6.2787 6.4699 6.4699 6.5917 6.5917 8.9173 8.9173 9.5658 9.5658 9.8626 9.8626 10.1848 10.1848 11.9603 11.9603 13.6492 13.6492 14.5498 14.5498 14.8212 14.8212 k = 0.0000 0.5395 0.1917 ( 3255 PWs) bands (ev): -3.3857 -3.3857 -3.3270 -3.3270 3.0649 3.0649 3.6895 3.6895 4.4138 4.4138 4.5743 4.5743 4.7372 4.7372 5.0679 5.0679 5.8728 5.8728 6.0705 6.0705 6.1856 6.1856 6.2804 6.2804 6.4727 6.4727 6.5899 6.5899 8.9974 8.9974 9.5746 9.5746 9.8749 9.8749 10.2174 10.2174 11.9096 11.9096 13.6815 13.6815 14.5301 14.5301 14.7774 14.7774 k = 0.0000 0.5414 0.2043 ( 3261 PWs) bands (ev): -3.3897 -3.3897 -3.3175 -3.3175 3.0621 3.0621 3.6527 3.6527 4.3937 4.3937 4.5722 4.5722 4.7318 4.7318 5.0650 5.0650 5.8857 5.8857 6.0804 6.0804 6.1898 6.1898 6.2822 6.2822 6.4760 6.4760 6.5881 6.5881 9.0757 9.0757 9.5795 9.5795 9.8867 9.8867 10.2338 10.2338 11.8732 11.8732 13.7150 13.7150 14.5139 14.5139 14.7276 14.7276 k = 0.0000 0.5433 0.2170 ( 3261 PWs) bands (ev): -3.3968 -3.3968 -3.3057 -3.3057 3.0636 3.0636 3.6155 3.6155 4.3778 4.3778 4.5701 4.5701 4.7275 4.7275 5.0627 5.0627 5.8968 5.8968 6.0891 6.0891 6.1937 6.1937 6.2842 6.2842 6.4796 6.4796 6.5864 6.5864 9.1511 9.1511 9.5807 9.5807 9.8985 9.8985 10.2330 10.2330 11.8518 11.8518 13.7494 13.7494 14.4989 14.4989 14.6749 14.6749 k = 0.5000 0.4570 0.3652 ( 3236 PWs) bands (ev): -3.1669 -3.1669 -3.1665 -3.1665 3.9764 3.9764 4.0246 4.0246 4.4197 4.4197 4.4747 4.4747 5.5234 5.5234 5.5357 5.5357 6.0260 6.0260 6.0446 6.0446 6.2708 6.2708 6.3216 6.3216 6.5861 6.5861 6.6181 6.6181 6.9338 6.9338 6.9574 6.9574 7.6768 7.6768 7.8200 7.8200 12.8641 12.8641 12.9198 12.9198 15.8746 15.8746 15.9925 15.9925 k = 0.5000 0.4443 0.3652 ( 3234 PWs) bands (ev): -3.1686 -3.1686 -3.1681 -3.1681 3.9542 3.9542 4.0181 4.0181 4.4146 4.4146 4.4834 4.4834 5.5075 5.5075 5.5250 5.5250 6.0107 6.0107 6.0203 6.0203 6.2730 6.2730 6.3193 6.3193 6.5731 6.5731 6.6128 6.6128 6.9678 6.9678 6.9851 6.9851 7.7291 7.7291 7.8847 7.8847 12.8991 12.8991 12.9573 12.9573 15.7963 15.7963 15.9109 15.9109 k = 0.5000 0.4316 0.3652 ( 3242 PWs) bands (ev): -3.1709 -3.1709 -3.1704 -3.1704 3.9295 3.9295 4.0060 4.0060 4.4144 4.4144 4.4942 4.4942 5.4882 5.4882 5.5095 5.5095 5.9940 5.9940 5.9944 5.9944 6.2722 6.2722 6.3125 6.3125 6.5645 6.5645 6.6107 6.6107 7.0086 7.0086 7.0208 7.0208 7.7887 7.7887 7.9550 7.9550 12.9346 12.9346 12.9952 12.9952 15.7141 15.7141 15.8248 15.8248 k = 0.5000 0.4189 0.3652 ( 3242 PWs) bands (ev): -3.1737 -3.1737 -3.1732 -3.1732 3.9027 3.9027 3.9888 3.9888 4.4186 4.4186 4.5065 4.5065 5.4657 5.4657 5.4892 5.4892 5.9679 5.9679 5.9787 5.9787 6.2684 6.2684 6.3023 6.3023 6.5600 6.5600 6.6114 6.6114 7.0549 7.0549 7.0632 7.0632 7.8549 7.8549 8.0305 8.0305 12.9704 12.9704 13.0336 13.0336 15.6286 15.6286 15.7352 15.7352 k = 0.5000 0.4062 0.3652 ( 3244 PWs) bands (ev): -3.1771 -3.1771 -3.1765 -3.1765 3.8744 3.8744 3.9670 3.9670 4.4264 4.4264 4.5198 4.5198 5.4402 5.4402 5.4642 5.4642 5.9431 5.9431 5.9649 5.9649 6.2622 6.2622 6.2898 6.2898 6.5591 6.5591 6.6139 6.6139 7.1057 7.1057 7.1114 7.1114 7.9270 7.9270 8.1105 8.1105 13.0066 13.0066 13.0726 13.0726 15.5404 15.5404 15.6431 15.6431 k = 0.5000 0.3935 0.3652 ( 3242 PWs) bands (ev): -3.1810 -3.1810 -3.1803 -3.1803 3.8448 3.8448 3.9416 3.9416 4.4371 4.4371 4.5336 4.5336 5.4120 5.4120 5.4351 5.4351 5.9206 5.9206 5.9536 5.9536 6.2543 6.2543 6.2761 6.2761 6.5609 6.5609 6.6176 6.6176 7.1602 7.1602 7.1645 7.1645 8.0043 8.0043 8.1947 8.1947 13.0433 13.0433 13.1121 13.1121 15.4500 15.4500 15.5491 15.5491 k = 0.5000 0.3808 0.3652 ( 3242 PWs) bands (ev): -3.1853 -3.1853 -3.1846 -3.1846 3.8142 3.8142 3.9131 3.9131 4.4496 4.4496 4.5476 4.5476 5.3815 5.3815 5.4026 5.4026 5.9010 5.9010 5.9449 5.9449 6.2454 6.2454 6.2620 6.2620 6.5646 6.5646 6.6218 6.6218 7.2181 7.2181 7.2219 7.2219 8.0858 8.0858 8.2824 8.2824 13.0803 13.0803 13.1521 13.1521 15.3580 15.3580 15.4539 15.4539 k = 0.5000 0.3681 0.3652 ( 3240 PWs) bands (ev): -3.1900 -3.1900 -3.1893 -3.1893 3.7830 3.7830 3.8824 3.8824 4.4634 4.4634 4.5613 4.5613 5.3495 5.3495 5.3677 5.3677 5.8844 5.8844 5.9388 5.9388 6.2360 6.2360 6.2479 6.2479 6.5697 6.5697 6.6263 6.6263 7.2790 7.2790 7.2831 7.2831 8.1711 8.1711 8.3731 8.3731 13.1177 13.1177 13.1929 13.1929 15.2647 15.2647 15.3579 15.3579 k = 0.5000 0.3554 0.3652 ( 3246 PWs) bands (ev): -3.1952 -3.1952 -3.1945 -3.1945 3.7512 3.7512 3.8498 3.8498 4.4777 4.4777 4.5746 4.5746 5.3165 5.3165 5.3314 5.3314 5.8706 5.8706 5.9349 5.9349 6.2264 6.2264 6.2342 6.2342 6.5757 6.5757 6.6309 6.6309 7.3425 7.3425 7.3478 7.3478 8.2593 8.2593 8.4663 8.4663 13.1555 13.1555 13.2343 13.2343 15.1705 15.1705 15.2615 15.2615 k = 0.5000 0.3427 0.3652 ( 3248 PWs) bands (ev): -3.2007 -3.2007 -3.1999 -3.1999 3.7191 3.7191 3.8160 3.8160 4.4920 4.4920 4.5870 4.5870 5.2832 5.2832 5.2945 5.2945 5.8596 5.8596 5.9330 5.9330 6.2169 6.2169 6.2210 6.2210 6.5823 6.5823 6.6355 6.6355 7.4087 7.4087 7.4160 7.4160 8.3499 8.3499 8.5615 8.5615 13.1937 13.1937 13.2766 13.2766 15.0759 15.0759 15.1653 15.1653 k = 0.5000 0.3300 0.3652 ( 3242 PWs) bands (ev): -3.2065 -3.2065 -3.2057 -3.2057 3.6868 3.6868 3.7813 3.7813 4.5058 4.5058 4.5984 4.5984 5.2503 5.2503 5.2578 5.2578 5.8512 5.8512 5.9327 5.9327 6.2077 6.2077 6.2084 6.2084 6.5893 6.5893 6.6400 6.6400 7.4773 7.4773 7.4873 7.4873 8.4421 8.4421 8.6582 8.6582 13.2323 13.2323 13.3197 13.3197 14.9812 14.9812 15.0696 15.0696 k = 0.5000 0.3173 0.3652 ( 3244 PWs) bands (ev): -3.2126 -3.2126 -3.2118 -3.2118 3.6544 3.6544 3.7459 3.7459 4.5188 4.5188 4.6085 4.6085 5.2182 5.2182 5.2220 5.2220 5.8449 5.8449 5.9335 5.9335 6.1966 6.1966 6.1989 6.1989 6.5966 6.5966 6.6446 6.6446 7.5485 7.5485 7.5618 7.5618 8.5354 8.5354 8.7558 8.7558 13.2711 13.2711 13.3635 13.3635 14.8866 14.8866 14.9747 14.9747 k = 0.5000 0.3047 0.3652 ( 3240 PWs) bands (ev): -3.2189 -3.2189 -3.2181 -3.2181 3.6222 3.6222 3.7101 3.7101 4.5307 4.5307 4.6172 4.6172 5.1876 5.1876 5.1876 5.1876 5.8407 5.8407 5.9354 5.9354 6.1856 6.1856 6.1905 6.1905 6.6040 6.6040 6.6491 6.6491 7.6221 7.6221 7.6393 7.6393 8.6292 8.6292 8.8538 8.8538 13.3099 13.3099 13.4081 13.4081 14.7928 14.7928 14.8814 14.8814 k = 0.5000 0.2920 0.3652 ( 3246 PWs) bands (ev): -3.2254 -3.2254 -3.2246 -3.2246 3.5901 3.5901 3.6743 3.6743 4.5413 4.5413 4.6242 4.6242 5.1552 5.1552 5.1585 5.1585 5.8382 5.8382 5.9378 5.9378 6.1753 6.1753 6.1826 6.1826 6.6115 6.6115 6.6535 6.6535 7.6981 7.6981 7.7199 7.7199 8.7229 8.7229 8.9517 8.9517 13.3481 13.3481 13.4529 13.4529 14.7002 14.7002 14.7903 14.7903 k = 0.5000 0.2793 0.3652 ( 3244 PWs) bands (ev): -3.2321 -3.2321 -3.2313 -3.2313 3.5583 3.5583 3.6385 3.6385 4.5503 4.5503 4.6295 4.6295 5.1251 5.1251 5.1314 5.1314 5.8373 5.8373 5.9408 5.9408 6.1659 6.1659 6.1751 6.1751 6.6189 6.6189 6.6579 6.6579 7.7766 7.7766 7.8035 7.8035 8.8160 8.8160 9.0491 9.0491 13.3851 13.3851 13.4975 13.4975 14.6097 14.6097 14.7024 14.7024 k = 0.5000 0.2666 0.3652 ( 3244 PWs) bands (ev): -3.2388 -3.2388 -3.2380 -3.2380 3.5270 3.5270 3.6030 3.6030 4.5578 4.5578 4.6329 4.6329 5.0975 5.0975 5.1065 5.1065 5.8377 5.8377 5.9440 5.9440 6.1572 6.1572 6.1681 6.1681 6.6263 6.6263 6.6622 6.6622 7.8574 7.8574 7.8901 7.8901 8.9079 8.9079 9.1453 9.1453 13.4197 13.4197 13.5406 13.5406 14.5228 14.5228 14.6191 14.6191 k = 0.5000 0.2539 0.3652 ( 3248 PWs) bands (ev): -3.2456 -3.2456 -3.2448 -3.2448 3.4962 3.4962 3.5679 3.5679 4.5635 4.5635 4.6344 4.6344 5.0726 5.0726 5.0837 5.0837 5.8394 5.8394 5.9474 5.9474 6.1492 6.1492 6.1616 6.1616 6.6336 6.6336 6.6664 6.6664 7.9404 7.9404 7.9794 7.9794 8.9982 8.9982 9.2400 9.2400 13.4499 13.4499 13.5803 13.5803 14.4416 14.4416 14.5424 14.5424 k = 0.5000 0.2412 0.3652 ( 3252 PWs) bands (ev): -3.2523 -3.2523 -3.2516 -3.2516 3.4660 3.4660 3.5335 3.5335 4.5676 4.5676 4.6341 4.6341 5.0505 5.0505 5.0632 5.0632 5.8422 5.8422 5.9509 5.9509 6.1420 6.1420 6.1555 6.1555 6.6407 6.6407 6.6706 6.6706 8.0257 8.0257 8.0714 8.0714 9.0863 9.0863 9.3326 9.3326 13.4730 13.4730 13.6131 13.6131 14.3698 14.3698 14.4754 14.4754 k = 0.5000 0.2285 0.3652 ( 3254 PWs) bands (ev): -3.2591 -3.2591 -3.2583 -3.2583 3.4367 3.4367 3.4999 3.4999 4.5701 4.5701 4.6319 4.6319 5.0311 5.0311 5.0449 5.0449 5.8459 5.8459 5.9543 5.9543 6.1354 6.1354 6.1498 6.1498 6.6476 6.6476 6.6747 6.6747 8.1130 8.1130 8.1659 8.1659 9.1719 9.1719 9.4227 9.4227 13.4857 13.4857 13.6337 13.6337 14.3129 14.3129 14.4217 14.4217 k = 0.5000 0.2158 0.3652 ( 3250 PWs) bands (ev): -3.2657 -3.2657 -3.2650 -3.2650 3.4082 3.4082 3.4672 3.4672 4.5711 4.5711 4.6282 4.6282 5.0144 5.0144 5.0287 5.0287 5.8505 5.8505 5.9576 5.9576 6.1296 6.1296 6.1445 6.1445 6.6544 6.6544 6.6787 6.6787 8.2023 8.2023 8.2629 8.2629 9.2543 9.2543 9.5098 9.5098 13.4837 13.4837 13.6353 13.6353 14.2778 14.2778 14.3855 14.3855 k = 0.5000 0.2031 0.3652 ( 3248 PWs) bands (ev): -3.2722 -3.2722 -3.2715 -3.2715 3.3808 3.3808 3.4356 3.4356 4.5708 4.5708 4.6231 4.6231 5.0001 5.0001 5.0145 5.0145 5.8558 5.8558 5.9607 5.9607 6.1244 6.1244 6.1396 6.1396 6.6608 6.6608 6.6826 6.6826 8.2931 8.2931 8.3618 8.3618 9.3334 9.3334 9.5935 9.5935 13.4640 13.4640 13.6126 13.6126 14.2701 14.2701 14.3701 14.3701 k = 0.5000 0.1904 0.3652 ( 3246 PWs) bands (ev): -3.2786 -3.2786 -3.2779 -3.2779 3.3545 3.3545 3.4051 3.4051 4.5694 4.5694 4.6169 4.6169 4.9880 4.9880 5.0020 5.0020 5.8617 5.8617 5.9636 5.9636 6.1199 6.1199 6.1351 6.1351 6.6670 6.6670 6.6864 6.6864 8.3854 8.3854 8.4625 8.4625 9.4086 9.4086 9.6733 9.6733 13.4255 13.4255 13.5654 13.5654 14.2899 14.2899 14.3769 14.3769 k = 0.5000 0.1777 0.3652 ( 3244 PWs) bands (ev): -3.2847 -3.2847 -3.2840 -3.2840 3.3294 3.3294 3.3761 3.3761 4.5670 4.5670 4.6098 4.6098 4.9778 4.9778 4.9912 4.9912 5.8681 5.8681 5.9662 5.9662 6.1158 6.1158 6.1309 6.1309 6.6728 6.6728 6.6900 6.6900 8.4786 8.4786 8.5646 8.5646 9.4797 9.4797 9.7489 9.7489 13.3698 13.3698 13.4986 13.4986 14.3326 14.3326 14.4044 14.4044 k = 0.5000 0.1650 0.3652 ( 3246 PWs) bands (ev): -3.2906 -3.2906 -3.2899 -3.2899 3.3057 3.3057 3.3484 3.3484 4.5639 4.5639 4.6022 4.6022 4.9693 4.9693 4.9818 4.9818 5.8749 5.8749 5.9685 5.9685 6.1123 6.1123 6.1270 6.1270 6.6783 6.6783 6.6934 6.6934 8.5725 8.5725 8.6675 8.6675 9.5465 9.5465 9.8199 9.8199 13.3002 13.3002 13.4184 13.4184 14.3920 14.3920 14.4495 14.4495 k = 0.5000 0.1523 0.3652 ( 3248 PWs) bands (ev): -3.2962 -3.2962 -3.2956 -3.2956 3.2834 3.2834 3.3223 3.3223 4.5604 4.5604 4.5943 4.5943 4.9622 4.9622 4.9737 4.9737 5.8819 5.8819 5.9704 5.9704 6.1093 6.1093 6.1234 6.1234 6.6835 6.6835 6.6967 6.6967 8.6666 8.6666 8.7706 8.7706 9.6086 9.6086 9.8858 9.8858 13.2204 13.2204 13.3297 13.3297 14.4633 14.4633 14.5085 14.5085 k = 0.5000 0.1396 0.3652 ( 3250 PWs) bands (ev): -3.3015 -3.3015 -3.3009 -3.3009 3.2626 3.2626 3.2978 3.2978 4.5566 4.5566 4.5864 4.5864 4.9562 4.9562 4.9666 4.9666 5.8891 5.8891 5.9719 5.9719 6.1068 6.1068 6.1201 6.1201 6.6883 6.6883 6.6997 6.6997 8.7603 8.7603 8.8733 8.8733 9.6661 9.6661 9.9463 9.9463 13.1341 13.1341 13.2361 13.2361 14.5427 14.5427 14.5779 14.5779 k = 0.5000 0.1269 0.3652 ( 3248 PWs) bands (ev): -3.3064 -3.3064 -3.3059 -3.3059 3.2435 3.2435 3.2751 3.2751 4.5526 4.5526 4.5786 4.5786 4.9512 4.9512 4.9605 4.9605 5.8964 5.8964 5.9730 5.9730 6.1046 6.1046 6.1171 6.1171 6.6927 6.6927 6.7025 6.7025 8.8529 8.8529 8.9746 8.9746 9.7190 9.7190 10.0009 10.0009 13.0443 13.0443 13.1404 13.1404 14.6274 14.6274 14.6546 14.6546 k = 0.5000 0.1142 0.3652 ( 3246 PWs) bands (ev): -3.3109 -3.3109 -3.3104 -3.3104 3.2260 3.2260 3.2541 3.2541 4.5487 4.5487 4.5712 4.5712 4.9471 4.9471 4.9553 4.9553 5.9037 5.9037 5.9737 5.9737 6.1028 6.1028 6.1143 6.1143 6.6967 6.6967 6.7051 6.7051 8.9437 8.9437 9.0732 9.0732 9.7675 9.7675 10.0492 10.0492 12.9536 12.9536 13.0445 13.0445 14.7148 14.7148 14.7358 14.7358 k = 0.5000 0.1016 0.3652 ( 3254 PWs) bands (ev): -3.3151 -3.3151 -3.3146 -3.3146 3.2103 3.2103 3.2351 3.2351 4.5449 4.5449 4.5642 4.5642 4.9436 4.9436 4.9507 4.9507 5.9109 5.9109 5.9739 5.9739 6.1014 6.1014 6.1118 6.1118 6.7003 6.7003 6.7074 6.7074 9.0319 9.0319 9.1677 9.1677 9.8120 9.8120 10.0908 10.0908 12.8646 12.8646 12.9504 12.9504 14.8022 14.8022 14.8183 14.8183 k = 0.5000 0.0889 0.3652 ( 3252 PWs) bands (ev): -3.3188 -3.3188 -3.3184 -3.3184 3.1965 3.1965 3.2180 3.2180 4.5416 4.5416 4.5578 4.5578 4.9407 4.9407 4.9468 4.9468 5.9179 5.9179 5.9736 5.9736 6.1002 6.1002 6.1095 6.1095 6.7036 6.7036 6.7094 6.7094 9.1166 9.1166 9.2561 9.2561 9.8531 9.8531 10.1250 10.1250 12.7795 12.7795 12.8598 12.8598 14.8868 14.8868 14.8989 14.8989 k = 0.5000 0.0762 0.3652 ( 3256 PWs) bands (ev): -3.3220 -3.3220 -3.3217 -3.3217 3.1846 3.1846 3.2028 3.2028 4.5385 4.5385 4.5520 4.5520 4.9383 4.9383 4.9434 4.9434 5.9247 5.9247 5.9729 5.9729 6.0994 6.0994 6.1074 6.1074 6.7064 6.7064 6.7112 6.7112 9.1966 9.1966 9.3361 9.3361 9.8920 9.8920 10.1512 10.1512 12.7006 12.7006 12.7745 12.7745 14.9652 14.9652 14.9742 14.9742 k = 0.5000 0.0635 0.3652 ( 3252 PWs) bands (ev): -3.3248 -3.3248 -3.3245 -3.3245 3.1747 3.1747 3.1897 3.1897 4.5360 4.5360 4.5469 4.5469 4.9365 4.9365 4.9406 4.9406 5.9312 5.9312 5.9716 5.9716 6.0988 6.0988 6.1055 6.1055 6.7088 6.7088 6.7127 6.7127 9.2710 9.2710 9.4050 9.4050 9.9299 9.9299 10.1689 10.1689 12.6303 12.6303 12.6963 12.6963 15.0341 15.0341 15.0405 15.0405 k = 0.5000 0.0508 0.3652 ( 3254 PWs) bands (ev): -3.3271 -3.3271 -3.3268 -3.3268 3.1667 3.1667 3.1787 3.1787 4.5340 4.5340 4.5425 4.5425 4.9351 4.9351 4.9383 4.9383 5.9373 5.9373 5.9699 5.9699 6.0985 6.0985 6.1039 6.1039 6.7109 6.7109 6.7138 6.7138 9.3385 9.3385 9.4598 9.4598 9.9681 9.9681 10.1774 10.1774 12.5707 12.5707 12.6270 12.6270 15.0907 15.0907 15.0950 15.0950 k = 0.5000 0.0381 0.3652 ( 3252 PWs) bands (ev): -3.3289 -3.3289 -3.3287 -3.3287 3.1608 3.1608 3.1698 3.1698 4.5326 4.5326 4.5389 4.5389 4.9341 4.9341 4.9365 4.9365 5.9431 5.9431 5.9676 5.9676 6.0984 6.0984 6.1025 6.1025 6.7126 6.7126 6.7147 6.7147 9.3977 9.3977 9.4985 9.4985 10.0070 10.0070 10.1764 10.1764 12.5240 12.5240 12.5685 12.5685 15.1335 15.1335 15.1362 15.1362 k = 0.5000 0.0254 0.3652 ( 3256 PWs) bands (ev): -3.3301 -3.3301 -3.3300 -3.3300 3.1570 3.1570 3.1629 3.1629 4.5319 4.5319 4.5360 4.5360 4.9334 4.9334 4.9350 4.9350 5.9484 5.9484 5.9648 5.9648 6.0985 6.0985 6.1012 6.1012 6.7138 6.7138 6.7152 6.7152 9.4474 9.4474 9.5197 9.5197 10.0463 10.0463 10.1658 10.1658 12.4917 12.4917 12.5227 12.5227 15.1626 15.1626 15.1641 15.1641 k = 0.5000 0.0127 0.3652 ( 3262 PWs) bands (ev): -3.3309 -3.3309 -3.3308 -3.3308 3.1553 3.1553 3.1583 3.1583 4.5318 4.5318 4.5339 4.5339 4.9332 4.9332 4.9340 4.9340 5.9532 5.9532 5.9614 5.9614 6.0988 6.0988 6.1002 6.1002 6.7147 6.7147 6.7154 6.7154 9.4860 9.4860 9.5239 9.5239 10.0841 10.0841 10.1460 10.1460 12.4752 12.4752 12.4912 12.4912 15.1793 15.1793 15.1800 15.1800 k = 0.5000-0.0000 0.3652 ( 3260 PWs) bands (ev): -3.3311 -3.3311 -3.3311 -3.3311 3.1557 3.1557 3.1557 3.1557 4.5325 4.5325 4.5325 4.5325 4.9334 4.9334 4.9334 4.9334 5.9576 5.9576 5.9576 5.9576 6.0994 6.0994 6.0994 6.0994 6.7152 6.7152 6.7152 6.7152 9.5121 9.5121 9.5121 9.5121 10.1182 10.1182 10.1182 10.1182 12.4751 12.4751 12.4751 12.4751 15.1849 15.1849 15.1849 15.1849 k = 0.5000-0.0000 0.3652 ( 3260 PWs) bands (ev): -3.3311 -3.3311 -3.3311 -3.3311 3.1557 3.1557 3.1557 3.1557 4.5325 4.5325 4.5325 4.5325 4.9334 4.9334 4.9334 4.9334 5.9576 5.9576 5.9576 5.9576 6.0994 6.0994 6.0994 6.0994 6.7152 6.7152 6.7152 6.7152 9.5121 9.5121 9.5121 9.5121 10.1182 10.1182 10.1182 10.1182 12.4751 12.4751 12.4751 12.4751 15.1849 15.1849 15.1849 15.1849 k = 0.5000-0.0000 0.3526 ( 3256 PWs) bands (ev): -3.3314 -3.3314 -3.3314 -3.3314 3.1578 3.1578 3.1580 3.1580 4.5303 4.5303 4.5343 4.5343 4.9322 4.9322 4.9357 4.9357 5.9528 5.9528 5.9613 5.9613 6.0965 6.0965 6.1032 6.1032 6.7128 6.7128 6.7172 6.7172 9.4901 9.4901 9.5296 9.5296 10.0917 10.0917 10.1333 10.1333 12.4805 12.4805 12.4824 12.4824 15.1625 15.1625 15.1964 15.1964 k = 0.5000-0.0000 0.3400 ( 3254 PWs) bands (ev): -3.3324 -3.3324 -3.3324 -3.3324 3.1641 3.1641 3.1646 3.1646 4.5277 4.5277 4.5358 4.5358 4.9322 4.9322 4.9392 4.9392 5.9472 5.9472 5.9639 5.9639 6.0946 6.0946 6.1076 6.1076 6.7098 6.7098 6.7187 6.7187 9.4633 9.4633 9.5426 9.5426 10.0541 10.0541 10.1374 10.1374 12.4986 12.4986 12.5022 12.5022 15.1303 15.1303 15.1960 15.1960 k = 0.5000-0.0000 0.3274 ( 3254 PWs) bands (ev): -3.3340 -3.3340 -3.3339 -3.3339 3.1747 3.1747 3.1754 3.1754 4.5249 4.5249 4.5369 4.5369 4.9333 4.9333 4.9436 4.9436 5.9408 5.9408 5.9653 5.9653 6.0937 6.0937 6.1126 6.1126 6.7062 6.7062 6.7197 6.7197 9.4313 9.4313 9.5509 9.5509 10.0069 10.0069 10.1318 10.1318 12.5287 12.5287 12.5334 12.5334 15.0894 15.0894 15.1829 15.1829 k = 0.5000-0.0000 0.3148 ( 3244 PWs) bands (ev): -3.3362 -3.3362 -3.3361 -3.3361 3.1896 3.1896 3.1904 3.1904 4.5218 4.5218 4.5377 4.5377 4.9355 4.9355 4.9491 4.9491 5.9340 5.9340 5.9656 5.9656 6.0939 6.0939 6.1180 6.1180 6.7021 6.7021 6.7202 6.7202 9.3934 9.3934 9.5534 9.5534 9.9523 9.9523 10.1180 10.1180 12.5694 12.5694 12.5747 12.5747 15.0411 15.0411 15.1567 15.1567 k = 0.5000-0.0000 0.3022 ( 3244 PWs) bands (ev): -3.3389 -3.3389 -3.3388 -3.3388 3.2085 3.2085 3.2094 3.2094 4.5187 4.5187 4.5383 4.5383 4.9385 4.9385 4.9553 4.9553 5.9266 5.9266 5.9647 5.9647 6.0951 6.0951 6.1236 6.1236 6.6974 6.6974 6.7202 6.7202 9.3493 9.3493 9.5481 9.5481 9.8941 9.8941 10.0982 10.0982 12.6194 12.6194 12.6246 12.6246 14.9866 14.9866 15.1180 15.1180 k = 0.5000-0.0000 0.2896 ( 3246 PWs) bands (ev): -3.3422 -3.3422 -3.3421 -3.3421 3.2313 3.2313 3.2324 3.2324 4.5155 4.5155 4.5389 4.5389 4.9424 4.9424 4.9622 4.9622 5.9190 5.9190 5.9629 5.9629 6.0971 6.0971 6.1292 6.1292 6.6920 6.6920 6.7196 6.7196 9.2985 9.2985 9.5310 9.5310 9.8377 9.8377 10.0743 10.0743 12.6768 12.6768 12.6815 12.6815 14.9277 14.9277 15.0686 15.0686 k = 0.5000-0.0000 0.2771 ( 3246 PWs) bands (ev): -3.3460 -3.3460 -3.3459 -3.3459 3.2580 3.2580 3.2591 3.2591 4.5126 4.5126 4.5396 4.5396 4.9469 4.9469 4.9697 4.9697 5.9112 5.9112 5.9603 5.9603 6.0998 6.0998 6.1348 6.1348 6.6860 6.6860 6.7186 6.7186 9.2409 9.2409 9.4969 9.4969 9.7900 9.7900 10.0482 10.0482 12.7401 12.7401 12.7439 12.7439 14.8659 14.8659 15.0109 15.0109 k = 0.5000-0.0000 0.2645 ( 3252 PWs) bands (ev): -3.3502 -3.3502 -3.3501 -3.3501 3.2882 3.2882 3.2892 3.2892 4.5100 4.5100 4.5405 4.5405 4.9519 4.9519 4.9775 4.9775 5.9033 5.9033 5.9572 5.9572 6.1031 6.1031 6.1404 6.1404 6.6792 6.6792 6.7170 6.7170 9.1767 9.1767 9.4426 9.4426 9.7560 9.7560 10.0215 10.0215 12.8076 12.8076 12.8102 12.8102 14.8030 14.8030 14.9478 14.9478 k = 0.5000-0.0000 0.2519 ( 3250 PWs) bands (ev): -3.3548 -3.3548 -3.3547 -3.3547 3.3217 3.3217 3.3227 3.3227 4.5079 4.5079 4.5419 4.5419 4.9573 4.9573 4.9857 4.9857 5.8955 5.8955 5.9536 5.9536 6.1067 6.1067 6.1458 6.1458 6.6717 6.6717 6.7148 6.7148 9.1062 9.1062 9.3700 9.3700 9.7348 9.7348 9.9951 9.9951 12.8777 12.8777 12.8791 12.8791 14.7406 14.7406 14.8818 14.8818 k = 0.5000-0.0000 0.2393 ( 3250 PWs) bands (ev): -3.3597 -3.3597 -3.3596 -3.3596 3.3582 3.3582 3.3590 3.3590 4.5064 4.5064 4.5440 4.5440 4.9629 4.9629 4.9939 4.9939 5.8876 5.8876 5.9497 5.9497 6.1107 6.1107 6.1509 6.1509 6.6634 6.6634 6.7119 6.7119 9.0303 9.0303 9.2846 9.2846 9.7226 9.7226 9.9698 9.9698 12.9490 12.9490 12.9494 12.9494 14.6801 14.6801 14.8154 14.8154 k = 0.5000-0.0000 0.2267 ( 3248 PWs) bands (ev): -3.3649 -3.3649 -3.3648 -3.3648 3.3975 3.3975 3.3980 3.3980 4.5058 4.5058 4.5469 4.5469 4.9684 4.9684 5.0022 5.0022 5.8798 5.8798 5.9456 5.9456 6.1148 6.1148 6.1558 6.1558 6.6543 6.6543 6.7084 6.7084 8.9498 8.9498 9.1913 9.1913 9.7155 9.7155 9.9460 9.9460 13.0199 13.0199 13.0201 13.0201 14.6231 14.6231 14.7505 14.7505 k = 0.5000-0.0000 0.2141 ( 3250 PWs) bands (ev): -3.3703 -3.3703 -3.3702 -3.3702 3.4390 3.4390 3.4391 3.4391 4.5061 4.5061 4.5508 4.5508 4.9739 4.9739 5.0103 5.0103 5.8722 5.8722 5.9412 5.9412 6.1190 6.1190 6.1602 6.1602 6.6443 6.6443 6.7042 6.7042 8.8660 8.8660 9.0935 9.0935 9.7113 9.7113 9.9237 9.9237 13.0894 13.0894 13.0897 13.0897 14.5707 14.5707 14.6889 14.6889 k = 0.5000-0.0000 0.2015 ( 3252 PWs) bands (ev): -3.3759 -3.3759 -3.3758 -3.3758 3.4820 3.4820 3.4825 3.4825 4.5077 4.5077 4.5561 4.5561 4.9790 4.9790 5.0181 5.0181 5.8646 5.8646 5.9366 5.9366 6.1233 6.1233 6.1643 6.1643 6.6335 6.6335 6.6991 6.6991 8.7799 8.7799 8.9935 8.9935 9.7086 9.7086 9.9030 9.9030 13.1567 13.1567 13.1569 13.1569 14.5243 14.5243 14.6321 14.6321 k = 0.5000-0.0000 0.1889 ( 3260 PWs) bands (ev): -3.3815 -3.3815 -3.3814 -3.3814 3.5262 3.5262 3.5272 3.5272 4.5108 4.5108 4.5629 4.5629 4.9838 4.9838 5.0256 5.0256 5.8571 5.8571 5.9317 5.9317 6.1276 6.1276 6.1680 6.1680 6.6218 6.6218 6.6931 6.6931 8.6927 8.6927 8.8931 8.8931 9.7067 9.7067 9.8837 9.8837 13.2197 13.2197 13.2214 13.2214 14.4849 14.4849 14.5814 14.5814 k = 0.5000-0.0000 0.1763 ( 3260 PWs) bands (ev): -3.3872 -3.3872 -3.3870 -3.3870 3.5709 3.5709 3.5728 3.5728 4.5155 4.5155 4.5714 4.5714 4.9880 4.9880 5.0327 5.0327 5.8497 5.8497 5.9263 5.9263 6.1319 6.1319 6.1713 6.1713 6.6095 6.6095 6.6862 6.6862 8.6057 8.6057 8.7936 8.7936 9.7053 9.7053 9.8658 9.8658 13.2776 13.2776 13.2816 13.2816 14.4538 14.4538 14.5381 14.5381 k = 0.5000-0.0000 0.1637 ( 3260 PWs) bands (ev): -3.3927 -3.3927 -3.3926 -3.3926 3.6158 3.6158 3.6185 3.6185 4.5221 4.5221 4.5820 4.5820 4.9918 4.9918 5.0392 5.0392 5.8423 5.8423 5.9204 5.9204 6.1363 6.1363 6.1741 6.1741 6.5965 6.5965 6.6783 6.6783 8.5199 8.5199 8.6960 8.6960 9.7040 9.7040 9.8491 9.8491 13.3294 13.3294 13.3365 13.3365 14.4318 14.4318 14.5033 14.5033 k = 0.5000-0.0000 0.1511 ( 3254 PWs) bands (ev): -3.3982 -3.3982 -3.3981 -3.3981 3.6601 3.6601 3.6638 3.6638 4.5309 4.5309 4.5946 4.5946 4.9949 4.9949 5.0452 5.0452 5.8348 5.8348 5.9137 5.9137 6.1407 6.1407 6.1764 6.1764 6.5832 6.5832 6.6693 6.6693 8.4366 8.4366 8.6013 8.6013 9.7029 9.7029 9.8334 9.8334 13.3741 13.3741 13.3850 13.3850 14.4196 14.4196 14.4780 14.4780 k = 0.5000-0.0000 0.1385 ( 3252 PWs) bands (ev): -3.4035 -3.4035 -3.4033 -3.4033 3.7031 3.7031 3.7078 3.7078 4.5421 4.5421 4.6096 4.6096 4.9974 4.9974 5.0505 5.0505 5.8272 5.8272 5.9061 5.9061 6.1450 6.1450 6.1783 6.1783 6.5695 6.5695 6.6593 6.6593 8.3568 8.3568 8.5104 8.5104 9.7020 9.7020 9.8187 9.8187 13.4112 13.4112 13.4262 13.4262 14.4176 14.4176 14.4630 14.4630 k = 0.5000-0.0000 0.1259 ( 3254 PWs) bands (ev): -3.4085 -3.4085 -3.4084 -3.4084 3.7442 3.7442 3.7498 3.7498 4.5559 4.5559 4.6268 4.6268 4.9993 4.9993 5.0551 5.0551 5.8194 5.8194 5.8972 5.8972 6.1493 6.1493 6.1797 6.1797 6.5560 6.5560 6.6480 6.6480 8.2814 8.2814 8.4241 8.4241 9.7011 9.7011 9.8049 9.8049 13.4407 13.4407 13.4595 13.4595 14.4254 14.4254 14.4586 14.4586 k = 0.5000-0.0000 0.1133 ( 3254 PWs) bands (ev): -3.4132 -3.4132 -3.4131 -3.4131 3.7827 3.7827 3.7891 3.7891 4.5723 4.5723 4.6462 4.6462 5.0007 5.0007 5.0589 5.0589 5.8115 5.8115 5.8871 5.8871 6.1535 6.1535 6.1807 6.1807 6.5430 6.5430 6.6358 6.6358 8.2116 8.2116 8.3431 8.3431 9.7004 9.7004 9.7920 9.7920 13.4630 13.4630 13.4848 13.4848 14.4422 14.4422 14.4643 14.4643 k = 0.5000-0.0000 0.1007 ( 3252 PWs) bands (ev): -3.4176 -3.4176 -3.4175 -3.4175 3.8181 3.8181 3.8252 3.8252 4.5913 4.5913 4.6673 4.6673 5.0016 5.0016 5.0618 5.0618 5.8034 5.8034 5.8756 5.8756 6.1575 6.1575 6.1813 6.1813 6.5309 6.5309 6.6225 6.6225 8.1480 8.1480 8.2679 8.2679 9.6999 9.6999 9.7800 9.7800 13.4789 13.4789 13.5028 13.5028 14.4665 14.4665 14.4792 14.4792 k = 0.5000-0.0000 0.0882 ( 3250 PWs) bands (ev): -3.4216 -3.4216 -3.4215 -3.4215 3.8499 3.8499 3.8573 3.8573 4.6126 4.6126 4.6894 4.6894 5.0023 5.0023 5.0636 5.0636 5.7954 5.7954 5.8628 5.8628 6.1613 6.1613 6.1815 6.1815 6.5202 6.5202 6.6084 6.6084 8.0916 8.0916 8.1992 8.1992 9.6998 9.6998 9.7688 9.7688 13.4898 13.4898 13.5142 13.5142 14.4963 14.4963 14.5016 14.5016 k = 0.5000-0.0000 0.0756 ( 3250 PWs) bands (ev): -3.4251 -3.4251 -3.4250 -3.4250 3.8778 3.8778 3.8851 3.8851 4.6358 4.6358 4.7115 4.7115 5.0032 5.0032 5.0643 5.0643 5.7876 5.7876 5.8488 5.8488 6.1648 6.1648 6.1815 6.1815 6.5114 6.5114 6.5937 6.5937 8.0430 8.0430 8.1375 8.1375 9.7001 9.7001 9.7584 9.7584 13.4968 13.4968 13.5204 13.5204 14.5292 14.5292 14.5294 14.5294 k = 0.5000-0.0000 0.0630 ( 3254 PWs) bands (ev): -3.4281 -3.4281 -3.4281 -3.4281 3.9016 3.9016 3.9085 3.9085 4.6601 4.6601 4.7322 4.7322 5.0047 5.0047 5.0635 5.0635 5.7805 5.7805 5.8341 5.8341 6.1679 6.1679 6.1812 6.1812 6.5049 6.5049 6.5787 6.5787 8.0026 8.0026 8.0833 8.0833 9.7008 9.7008 9.7489 9.7489 13.5011 13.5011 13.5227 13.5227 14.5596 14.5596 14.5633 14.5633 k = 0.5000-0.0000 0.0504 ( 3258 PWs) bands (ev): -3.4307 -3.4307 -3.4306 -3.4306 3.9212 3.9212 3.9272 3.9272 4.6846 4.6846 4.7498 4.7498 5.0074 5.0074 5.0612 5.0612 5.7746 5.7746 5.8192 5.8192 6.1706 6.1706 6.1808 6.1808 6.5011 6.5011 6.5638 6.5638 7.9709 7.9709 8.0367 8.0367 9.7021 9.7021 9.7402 9.7402 13.5039 13.5039 13.5223 13.5223 14.5901 14.5901 14.5955 14.5955 k = 0.5000-0.0000 0.0378 ( 3256 PWs) bands (ev): -3.4327 -3.4327 -3.4326 -3.4326 3.9366 3.9366 3.9414 3.9414 4.7082 4.7082 4.7624 4.7624 5.0118 5.0118 5.0571 5.0571 5.7705 5.7705 5.8050 5.8050 6.1729 6.1729 6.1802 6.1802 6.5001 6.5001 6.5495 6.5495 7.9481 7.9481 7.9983 7.9983 9.7040 9.7040 9.7324 9.7324 13.5059 13.5059 13.5204 13.5204 14.6180 14.6180 14.6236 14.6236 k = 0.5000-0.0000 0.0252 ( 3256 PWs) bands (ev): -3.4341 -3.4341 -3.4341 -3.4341 3.9478 3.9478 3.9511 3.9511 4.7297 4.7297 4.7688 4.7688 5.0183 5.0183 5.0512 5.0512 5.7687 5.7687 5.7922 5.7922 6.1748 6.1748 6.1795 6.1795 6.5021 6.5021 6.5362 6.5362 7.9342 7.9342 7.9681 7.9681 9.7067 9.7067 9.7255 9.7255 13.5077 13.5077 13.5176 13.5176 14.6407 14.6407 14.6452 14.6452 k = 0.5000-0.0000 0.0126 ( 3254 PWs) bands (ev): -3.4350 -3.4350 -3.4350 -3.4350 3.9548 3.9548 3.9565 3.9565 4.7477 4.7477 4.7682 4.7682 5.0264 5.0264 5.0438 5.0438 5.7698 5.7698 5.7817 5.7817 6.1763 6.1763 6.1786 6.1786 6.5070 6.5070 6.5244 6.5244 7.9294 7.9294 7.9465 7.9465 9.7102 9.7102 9.7195 9.7195 13.5096 13.5096 13.5147 13.5147 14.6560 14.6560 14.6585 14.6585 k = 0.5000-0.0000-0.0000 ( 3256 PWs) bands (ev): -3.4353 -3.4353 -3.4353 -3.4353 3.9577 3.9577 3.9577 3.9577 4.7609 4.7609 4.7609 4.7609 5.0352 5.0352 5.0352 5.0352 5.7742 5.7742 5.7742 5.7742 6.1776 6.1776 6.1776 6.1776 6.5145 6.5145 6.5145 6.5145 7.9335 7.9335 7.9335 7.9335 9.7144 9.7144 9.7144 9.7144 13.5120 13.5120 13.5120 13.5120 14.6621 14.6621 14.6621 14.6621 k = 0.0000 0.0000 0.3652 ( 3268 PWs) bands (ev): -4.1228 -4.1228 -3.3885 -3.3885 4.0021 4.0021 4.4862 4.4862 5.1046 5.1046 5.2574 5.2574 5.3858 5.3858 5.6191 5.6191 5.8335 5.8335 6.0538 6.0538 6.0763 6.0763 6.2362 6.2362 7.1916 7.1916 7.2113 7.2113 7.6989 7.6989 8.0619 8.0619 8.3540 8.3540 8.3760 8.3760 13.0969 13.0969 13.6156 13.6156 14.2439 14.2439 15.0687 15.0687 k = 0.0128-0.0000 0.3652 ( 3264 PWs) bands (ev): -4.1220 -4.1220 -3.3881 -3.3881 4.0021 4.0021 4.4834 4.4834 5.1031 5.1031 5.2541 5.2541 5.3884 5.3884 5.6191 5.6191 5.8328 5.8328 6.0532 6.0532 6.0744 6.0744 6.2359 6.2359 7.1870 7.1870 7.2170 7.2170 7.6854 7.6854 8.0725 8.0725 8.2990 8.2990 8.4416 8.4416 13.0997 13.0997 13.6194 13.6194 14.2422 14.2422 15.0722 15.0722 k = 0.0256-0.0000 0.3652 ( 3264 PWs) bands (ev): -4.1195 -4.1195 -3.3868 -3.3868 4.0021 4.0021 4.4747 4.4747 5.0985 5.0985 5.2449 5.2449 5.3953 5.3953 5.6192 5.6192 5.8305 5.8305 6.0510 6.0510 6.0691 6.0691 6.2351 6.2351 7.1773 7.1773 7.2298 7.2298 7.6486 7.6486 8.0993 8.0993 8.2494 8.2494 8.5242 8.5242 13.1078 13.1078 13.6306 13.6306 14.2372 14.2372 15.0829 15.0829 k = 0.0385-0.0000 0.3652 ( 3266 PWs) bands (ev): -4.1155 -4.1155 -3.3846 -3.3846 4.0021 4.0021 4.4602 4.4602 5.0910 5.0910 5.2322 5.2322 5.4043 5.4043 5.6192 5.6192 5.8268 5.8268 6.0449 6.0449 6.0628 6.0628 6.2338 6.2338 7.1642 7.1642 7.2472 7.2472 7.5964 7.5964 8.1283 8.1283 8.2239 8.2239 8.6116 8.6116 13.1211 13.1211 13.6492 13.6492 14.2291 14.2291 15.1006 15.1006 k = 0.0513-0.0000 0.3652 ( 3262 PWs) bands (ev): -4.1099 -4.1099 -3.3816 -3.3816 4.0020 4.0020 4.4399 4.4399 5.0809 5.0809 5.2175 5.2175 5.4137 5.4137 5.6188 5.6188 5.8217 5.8217 6.0325 6.0325 6.0586 6.0586 6.2322 6.2322 7.1477 7.1477 7.2671 7.2671 7.5370 7.5370 8.1384 8.1384 8.2398 8.2398 8.7017 8.7017 13.1393 13.1393 13.6749 13.6749 14.2181 14.2181 15.1255 15.1255 k = 0.0641-0.0000 0.3652 ( 3266 PWs) bands (ev): -4.1027 -4.1027 -3.3779 -3.3779 4.0017 4.0017 4.4138 4.4138 5.0684 5.0684 5.2021 5.2021 5.4220 5.4220 5.6175 5.6175 5.8155 5.8155 6.0149 6.0149 6.0558 6.0558 6.2303 6.2303 7.1275 7.1275 7.2837 7.2837 7.4806 7.4806 8.1371 8.1371 8.2861 8.2861 8.7926 8.7926 13.1616 13.1616 13.7074 13.7074 14.2048 14.2048 15.1577 15.1577 k = 0.0769-0.0000 0.3652 ( 3264 PWs) bands (ev): -4.0939 -4.0939 -3.3733 -3.3733 4.0013 4.0013 4.3823 4.3823 5.0542 5.0542 5.1864 5.1864 5.4286 5.4286 5.6149 5.6149 5.8082 5.8082 5.9941 5.9941 6.0533 6.0533 6.2282 6.2282 7.1038 7.1038 7.2810 7.2810 7.4470 7.4470 8.1413 8.1413 8.3433 8.3433 8.8831 8.8831 13.1873 13.1873 13.7462 13.7462 14.1898 14.1898 15.1972 15.1972 k = 0.0897-0.0000 0.3652 ( 3260 PWs) bands (ev): -4.0836 -4.0836 -3.3680 -3.3680 4.0006 4.0006 4.3454 4.3454 5.0388 5.0388 5.1705 5.1705 5.4326 5.4326 5.6102 5.6102 5.7997 5.7997 5.9716 5.9716 6.0507 6.0507 6.2262 6.2262 7.0766 7.0766 7.2441 7.2441 7.4537 7.4537 8.1548 8.1548 8.4050 8.4050 8.9722 8.9722 13.2155 13.2155 13.7905 13.7905 14.1741 14.1741 15.2440 15.2440 k = 0.1026-0.0000 0.3652 ( 3264 PWs) bands (ev): -4.0718 -4.0718 -3.3620 -3.3620 3.9994 3.9994 4.3037 4.3037 5.0226 5.0226 5.1543 5.1543 5.4336 5.4336 5.6027 5.6027 5.7901 5.7901 5.9489 5.9489 6.0478 6.0478 6.2243 6.2243 7.0455 7.0455 7.1888 7.1888 7.4877 7.4877 8.1773 8.1773 8.4693 8.4693 9.0593 9.0593 13.2449 13.2449 13.8393 13.8393 14.1593 14.1593 15.2981 15.2981 k = 0.1154-0.0000 0.3652 ( 3262 PWs) bands (ev): -4.0585 -4.0585 -3.3554 -3.3554 3.9976 3.9976 4.2577 4.2577 5.0061 5.0061 5.1377 5.1377 5.4309 5.4309 5.5915 5.5915 5.7795 5.7795 5.9275 5.9275 6.0446 6.0446 6.2224 6.2224 7.0102 7.0102 7.1323 7.1323 7.5345 7.5345 8.2079 8.2079 8.5352 8.5352 9.1438 9.1438 13.2739 13.2739 13.8908 13.8908 14.1479 14.1479 15.3594 15.3594 k = 0.1282-0.0000 0.3652 ( 3260 PWs) bands (ev): -4.0437 -4.0437 -3.3482 -3.3482 3.9947 3.9947 4.2081 4.2081 4.9894 4.9894 5.1206 5.1206 5.4235 5.4235 5.5757 5.5757 5.7683 5.7683 5.9089 5.9089 6.0411 6.0411 6.2208 6.2208 6.9700 6.9700 7.0822 7.0822 7.5886 7.5886 8.2454 8.2454 8.6021 8.6021 9.2253 9.2253 13.3008 13.3008 13.9417 13.9417 14.1439 14.1439 15.4267 15.4267 k = 0.1410-0.0000 0.3652 ( 3260 PWs) bands (ev): -4.0275 -4.0275 -3.3405 -3.3405 3.9902 3.9902 4.1561 4.1561 4.9726 4.9726 5.1031 5.1031 5.4100 5.4100 5.5552 5.5552 5.7577 5.7577 5.8941 5.8941 6.0375 6.0375 6.2193 6.2193 6.9265 6.9265 7.0403 7.0403 7.6478 7.6478 8.2887 8.2887 8.6697 8.6697 9.3035 9.3035 13.3234 13.3234 13.9862 13.9862 14.1543 14.1543 15.4872 15.4872 k = 0.1538-0.0000 0.3652 ( 3260 PWs) bands (ev): -4.0100 -4.0100 -3.3324 -3.3324 3.9825 3.9825 4.1035 4.1035 4.9557 4.9557 5.0851 5.0851 5.3888 5.3888 5.5307 5.5307 5.7487 5.7487 5.8832 5.8832 6.0339 6.0339 6.2180 6.2180 6.8825 6.8825 7.0054 7.0054 7.7109 7.7109 8.3369 8.3369 8.7376 8.7376 9.3782 9.3782 13.3395 13.3395 14.0185 14.0185 14.1857 14.1857 15.3972 15.3972 k = 0.1667-0.0000 0.3652 ( 3258 PWs) bands (ev): -3.9912 -3.9912 -3.3240 -3.3240 3.9675 3.9675 4.0550 4.0550 4.9387 4.9387 5.0666 5.0666 5.3580 5.3580 5.5041 5.5041 5.7427 5.7427 5.8758 5.8758 6.0305 6.0305 6.2167 6.2167 6.8413 6.8413 6.9755 6.9755 7.7774 7.7774 8.3892 8.3892 8.8055 8.8055 9.4494 9.4494 13.3469 13.3469 14.0413 14.0413 14.2363 14.2363 15.2578 15.2578 k = 0.1795-0.0000 0.3652 ( 3258 PWs) bands (ev): -3.9712 -3.9712 -3.3153 -3.3153 3.9364 3.9364 4.0198 4.0198 4.9215 4.9215 5.0479 5.0479 5.3168 5.3168 5.4775 5.4775 5.7399 5.7399 5.8712 5.8712 6.0273 6.0273 6.2155 6.2155 6.8044 6.8044 6.9491 6.9491 7.8466 7.8466 8.4447 8.4447 8.8735 8.8735 9.5171 9.5171 13.3443 13.3443 14.0628 14.0628 14.2971 14.2971 15.1176 15.1176 k = 0.1923-0.0000 0.3652 ( 3248 PWs) bands (ev): -3.9499 -3.9499 -3.3064 -3.3064 3.8876 3.8876 3.9996 3.9996 4.9040 4.9040 5.0291 5.0291 5.2665 5.2665 5.4516 5.4516 5.7402 5.7402 5.8689 5.8689 6.0245 6.0245 6.2144 6.2144 6.7726 6.7726 6.9254 6.9254 7.9182 7.9182 8.5030 8.5030 8.9411 8.9411 9.5811 9.5811 13.3311 13.3311 14.0886 14.0886 14.3600 14.3600 14.9817 14.9817 k = 0.2051-0.0000 0.3652 ( 3240 PWs) bands (ev): -3.9275 -3.9275 -3.2975 -3.2975 3.8304 3.8304 3.9854 3.9854 4.8861 4.8861 5.0101 5.0101 5.2095 5.2095 5.4263 5.4263 5.7434 5.7434 5.8684 5.8684 6.0222 6.0222 6.2132 6.2132 6.7461 6.7461 6.9039 6.9039 7.9917 7.9917 8.5633 8.5633 9.0084 9.0084 9.6417 9.6417 13.3079 13.3079 14.1201 14.1201 14.4155 14.4155 14.8579 14.8579 k = 0.2179-0.0000 0.3652 ( 3238 PWs) bands (ev): -3.9041 -3.9041 -3.2886 -3.2886 3.7704 3.7704 3.9718 3.9718 4.8677 4.8677 4.9910 4.9910 5.1485 5.1485 5.4011 5.4011 5.7489 5.7489 5.8693 5.8693 6.0204 6.0204 6.2118 6.2118 6.7244 6.7244 6.8844 6.8844 8.0669 8.0669 8.6253 8.6253 9.0750 9.0750 9.6988 9.6988 13.2758 13.2758 14.1561 14.1561 14.4433 14.4433 14.7664 14.7664 k = 0.2308-0.0000 0.3652 ( 3236 PWs) bands (ev): -3.8797 -3.8797 -3.2799 -3.2799 3.7097 3.7097 3.9568 3.9568 4.8487 4.8487 4.9714 4.9714 5.0866 5.0866 5.3759 5.3759 5.7564 5.7564 5.8714 5.8714 6.0191 6.0191 6.2103 6.2103 6.7071 6.7071 6.8667 6.8667 8.1435 8.1435 8.6885 8.6885 9.1409 9.1409 9.7525 9.7525 13.2364 13.2364 14.1917 14.1917 14.4124 14.4124 14.7417 14.7417 k = 0.2436-0.0000 0.3652 ( 3234 PWs) bands (ev): -3.8545 -3.8545 -3.2715 -3.2715 3.6495 3.6495 3.9393 3.9393 4.8290 4.8290 4.9497 4.9497 5.0278 5.0278 5.3505 5.3505 5.7655 5.7655 5.8746 5.8746 6.0182 6.0182 6.2087 6.2087 6.6936 6.6936 6.8506 6.8506 8.2212 8.2212 8.7525 8.7525 9.2060 9.2060 9.8030 9.8030 13.1912 13.1912 14.2035 14.2035 14.3522 14.3522 14.7764 14.7764 k = 0.2564-0.0000 0.3652 ( 3228 PWs) bands (ev): -3.8284 -3.8284 -3.2635 -3.2635 3.5904 3.5904 3.9185 3.9185 4.8083 4.8083 4.9208 4.9208 4.9792 4.9792 5.3250 5.3250 5.7757 5.7757 5.8789 5.8789 6.0176 6.0176 6.2068 6.2068 6.6834 6.6834 6.8361 6.8361 8.2997 8.2997 8.8170 8.8170 9.2699 9.2699 9.8504 9.8504 13.1416 13.1416 14.1358 14.1358 14.3524 14.3524 14.8348 14.8348 k = 0.2692-0.0000 0.3652 ( 3226 PWs) bands (ev): -3.8016 -3.8016 -3.2561 -3.2561 3.5331 3.5331 3.8940 3.8940 4.7859 4.7859 4.8797 4.8797 4.9483 4.9483 5.2995 5.2995 5.7868 5.7868 5.8841 5.8841 6.0174 6.0174 6.2047 6.2047 6.6761 6.6761 6.8230 6.8230 8.3786 8.3786 8.8816 8.8816 9.3325 9.3325 9.8946 9.8946 13.0888 13.0888 14.0216 14.0216 14.3954 14.3954 14.9007 14.9007 k = 0.2821-0.0000 0.3652 ( 3230 PWs) bands (ev): -3.7742 -3.7742 -3.2492 -3.2492 3.4779 3.4779 3.8653 3.8653 4.7609 4.7609 4.8349 4.8349 4.9287 4.9287 5.2741 5.2741 5.7985 5.7985 5.8901 5.8901 6.0172 6.0172 6.2024 6.2024 6.6710 6.6710 6.8113 6.8113 8.4578 8.4578 8.9460 8.9460 9.3936 9.3936 9.9359 9.9359 13.0338 13.0338 13.8977 13.8977 14.4491 14.4491 14.9680 14.9680 k = 0.2949-0.0000 0.3652 ( 3236 PWs) bands (ev): -3.7463 -3.7463 -3.2432 -3.2432 3.4254 3.4254 3.8323 3.8323 4.7319 4.7319 4.7956 4.7956 4.9140 4.9140 5.2491 5.2491 5.8105 5.8105 5.8971 5.8971 6.0172 6.0172 6.1997 6.1997 6.6680 6.6680 6.8007 6.8007 8.5370 8.5370 9.0098 9.0098 9.4531 9.4531 9.9743 9.9743 12.9776 12.9776 13.7727 13.7727 14.5065 14.5065 15.0343 15.0343 k = 0.3077-0.0000 0.3652 ( 3240 PWs) bands (ev): -3.7180 -3.7180 -3.2381 -3.2381 3.3759 3.3759 3.7949 3.7949 4.6994 4.6994 4.7641 4.7641 4.9020 4.9020 5.2243 5.2243 5.8226 5.8226 5.9051 5.9051 6.0172 6.0172 6.1968 6.1968 6.6665 6.6665 6.7912 6.7912 8.6158 8.6158 9.0727 9.0727 9.5106 9.5106 10.0097 10.0097 12.9209 12.9209 13.6493 13.6493 14.5656 14.5656 15.0980 15.0980 k = 0.3205-0.0000 0.3652 ( 3246 PWs) bands (ev): -3.6894 -3.6894 -3.2339 -3.2339 3.3297 3.3297 3.7535 3.7535 4.6664 4.6664 4.7384 4.7384 4.8921 4.8921 5.2001 5.2001 5.8345 5.8345 5.9139 5.9139 6.0172 6.0172 6.1936 6.1936 6.6664 6.6664 6.7827 6.7827 8.6941 8.6941 9.1344 9.1344 9.5659 9.5659 10.0422 10.0422 12.8646 12.8646 13.5290 13.5290 14.6250 14.6250 15.1579 15.1579 k = 0.3333-0.0000 0.3652 ( 3248 PWs) bands (ev): -3.6607 -3.6607 -3.2310 -3.2310 3.2872 3.2872 3.7086 3.7086 4.6359 4.6359 4.7159 4.7159 4.8842 4.8842 5.1763 5.1763 5.8460 5.8460 5.9236 5.9236 6.0170 6.0170 6.1900 6.1900 6.6674 6.6674 6.7750 6.7750 8.7714 8.7714 9.1942 9.1942 9.6190 9.6190 10.0717 10.0717 12.8092 12.8092 13.4125 13.4125 14.6837 14.6837 15.2129 15.2129 k = 0.3462-0.0000 0.3652 ( 3242 PWs) bands (ev): -3.6319 -3.6319 -3.2292 -3.2292 3.2486 3.2486 3.6609 3.6609 4.6093 4.6093 4.6952 4.6952 4.8782 4.8782 5.1532 5.1532 5.8572 5.8572 5.9340 5.9340 6.0168 6.0168 6.1862 6.1862 6.6693 6.6693 6.7682 6.7682 8.8474 8.8474 9.2519 9.2519 9.6698 9.6698 10.0982 10.0982 12.7555 12.7555 13.3004 13.3004 14.7408 14.7408 15.2620 15.2620 k = 0.3590-0.0000 0.3652 ( 3240 PWs) bands (ev): -3.6033 -3.6033 -3.2289 -3.2289 3.2143 3.2143 3.6113 3.6113 4.5867 4.5867 4.6758 4.6758 4.8740 4.8740 5.1307 5.1307 5.8677 5.8677 5.9448 5.9448 6.0165 6.0165 6.1819 6.1819 6.6719 6.6719 6.7621 6.7621 8.9218 8.9218 9.3067 9.3067 9.7181 9.7181 10.1215 10.1215 12.7041 12.7041 13.1934 13.1934 14.7953 14.7953 15.3037 15.3037 k = 0.3718-0.0000 0.3652 ( 3236 PWs) bands (ev): -3.5748 -3.5748 -3.2299 -3.2299 3.1843 3.1843 3.5606 3.5606 4.5681 4.5681 4.6574 4.6574 4.8715 4.8715 5.1088 5.1088 5.8778 5.8778 5.9557 5.9557 6.0165 6.0165 6.1772 6.1772 6.6750 6.6750 6.7565 6.7565 8.9943 8.9943 9.3579 9.3579 9.7639 9.7639 10.1415 10.1415 12.6557 12.6557 13.0919 13.0919 14.8462 14.8462 15.3369 15.3369 k = 0.3846-0.0000 0.3652 ( 3236 PWs) bands (ev): -3.5467 -3.5467 -3.2325 -3.2325 3.1590 3.1590 3.5098 3.5098 4.5532 4.5532 4.6399 4.6399 4.8708 4.8708 5.0876 5.0876 5.8874 5.8874 5.9659 5.9659 6.0172 6.0172 6.1720 6.1720 6.6785 6.6785 6.7515 6.7515 9.0643 9.0643 9.4048 9.4048 9.8076 9.8076 10.1580 10.1580 12.6109 12.6109 12.9963 12.9963 14.8929 14.8929 15.3601 15.3601 k = 0.3974-0.0000 0.3652 ( 3236 PWs) bands (ev): -3.5191 -3.5191 -3.2367 -3.2367 3.1385 3.1385 3.4597 3.4597 4.5415 4.5415 4.6234 4.6234 4.8718 4.8718 5.0672 5.0672 5.8965 5.8965 5.9743 5.9743 6.0195 6.0195 6.1664 6.1664 6.6824 6.6824 6.7468 6.7468 9.1316 9.1316 9.4465 9.4465 9.8491 9.8491 10.1707 10.1707 12.5703 12.5703 12.9073 12.9073 14.9348 14.9348 15.3724 15.3724 k = 0.4103-0.0000 0.3652 ( 3240 PWs) bands (ev): -3.4921 -3.4921 -3.2425 -3.2425 3.1229 3.1229 3.4110 3.4110 4.5328 4.5328 4.6079 4.6079 4.8744 4.8744 5.0475 5.0475 5.9053 5.9053 5.9797 5.9797 6.0244 6.0244 6.1601 6.1601 6.6863 6.6863 6.7424 6.7424 9.1956 9.1956 9.4821 9.4821 9.8889 9.8889 10.1795 10.1795 12.5347 12.5347 12.8251 12.8251 14.9719 14.9719 15.3734 15.3734 k = 0.4231-0.0000 0.3652 ( 3248 PWs) bands (ev): -3.4658 -3.4658 -3.2501 -3.2501 3.1123 3.1123 3.3644 3.3644 4.5267 4.5267 4.5935 4.5935 4.8786 4.8786 5.0285 5.0285 5.9137 5.9137 5.9815 5.9815 6.0324 6.0324 6.1533 6.1533 6.6905 6.6905 6.7383 6.7383 9.2560 9.2560 9.5107 9.5107 9.9271 9.9271 10.1841 10.1841 12.5048 12.5048 12.7503 12.7503 15.0050 15.0050 15.3637 15.3637 k = 0.4359-0.0000 0.3652 ( 3246 PWs) bands (ev): -3.4405 -3.4405 -3.2593 -3.2593 3.1069 3.1069 3.3204 3.3204 4.5229 4.5229 4.5802 4.5802 4.8844 4.8844 5.0104 5.0104 5.9218 5.9218 5.9806 5.9806 6.0425 6.0425 6.1459 6.1459 6.6947 6.6947 6.7344 6.7344 9.3121 9.3121 9.5316 9.5316 9.9639 9.9639 10.1843 10.1843 12.4810 12.4810 12.6833 12.6833 15.0352 15.0352 15.3445 15.3445 k = 0.4487-0.0000 0.3652 ( 3254 PWs) bands (ev): -3.4161 -3.4161 -3.2703 -3.2703 3.1065 3.1065 3.2796 3.2796 4.5212 4.5212 4.5680 4.5680 4.8915 4.8915 4.9931 4.9931 5.9296 5.9296 5.9778 5.9778 6.0538 6.0538 6.1378 6.1378 6.6989 6.6989 6.7305 6.7305 9.3636 9.3636 9.5442 9.5442 9.9991 9.9991 10.1800 10.1800 12.4641 12.4641 12.6244 12.6244 15.0638 15.0638 15.3182 15.3182 k = 0.4615-0.0000 0.3652 ( 3254 PWs) bands (ev): -3.3929 -3.3929 -3.2830 -3.2830 3.1113 3.1113 3.2424 3.2424 4.5215 4.5215 4.5571 4.5571 4.9001 4.9001 4.9767 4.9767 5.9371 5.9371 5.9739 5.9739 6.0654 6.0654 6.1292 6.1292 6.7031 6.7031 6.7267 6.7267 9.4099 9.4099 9.5485 9.5485 10.0326 10.0326 10.1711 10.1711 12.4547 12.4547 12.5739 12.5739 15.0922 15.0922 15.2870 15.2870 k = 0.4744-0.0000 0.3652 ( 3252 PWs) bands (ev): -3.3709 -3.3709 -3.2974 -3.2974 3.1211 3.1211 3.2092 3.2092 4.5235 4.5235 4.5475 4.5475 4.9100 4.9100 4.9613 4.9613 5.9443 5.9443 5.9691 5.9691 6.0771 6.0771 6.1199 6.1199 6.7072 6.7072 6.7230 6.7230 9.4504 9.4504 9.5444 9.5444 10.0640 10.0640 10.1578 10.1578 12.4531 12.4531 12.5321 12.5321 15.1215 15.1215 15.2533 15.2533 k = 0.4872-0.0000 0.3652 ( 3254 PWs) bands (ev): -3.3503 -3.3503 -3.3135 -3.3135 3.1360 3.1360 3.1802 3.1802 4.5272 4.5272 4.5393 4.5393 4.9211 4.9211 4.9468 4.9468 5.9511 5.9511 5.9636 5.9636 6.0885 6.0885 6.1099 6.1099 6.7113 6.7113 6.7191 6.7191 9.4847 9.4847 9.5322 9.5322 10.0927 10.0927 10.1400 10.1400 12.4598 12.4598 12.4992 12.4992 15.1523 15.1523 15.2188 15.2188 k = 0.5000-0.0000 0.3652 ( 3260 PWs) bands (ev): -3.3311 -3.3311 -3.3311 -3.3311 3.1557 3.1557 3.1557 3.1557 4.5325 4.5325 4.5325 4.5325 4.9334 4.9334 4.9334 4.9334 5.9576 5.9576 5.9576 5.9576 6.0994 6.0994 6.0994 6.0994 6.7152 6.7152 6.7152 6.7152 9.5121 9.5121 9.5121 9.5121 10.1182 10.1182 10.1182 10.1182 12.4751 12.4751 12.4751 12.4751 15.1849 15.1849 15.1849 15.1849 Writing output data file AgI.save init_run : 3.13s CPU 13.14s WALL ( 1 calls) electrons : 374.30s CPU 382.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 1.29s WALL ( 1 calls) Called by electrons: c_bands : 374.25s CPU 381.93s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.85s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.52s WALL ( 1 calls) newd : 0.43s CPU 0.69s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 318 calls) cegterg : 294.97s CPU 297.42s WALL ( 576 calls) Called by sum_band: Called by *egterg: h_psi : 129.42s CPU 134.53s WALL ( 8712 calls) s_psi : 20.56s CPU 20.94s WALL ( 8712 calls) g_psi : 0.38s CPU 0.40s WALL ( 7818 calls) cdiaghg : 103.93s CPU 102.50s WALL ( 8136 calls) cegterg:over : 28.07s CPU 25.52s WALL ( 7818 calls) cegterg:upda : 4.43s CPU 6.69s WALL ( 7818 calls) cegterg:last : 4.26s CPU 4.87s WALL ( 1530 calls) Called by h_psi: h_psi:vloc : 91.62s CPU 95.63s WALL ( 8712 calls) h_psi:vnl : 37.66s CPU 38.54s WALL ( 8712 calls) add_vuspsi : 13.05s CPU 15.96s WALL ( 8712 calls) General routines calbec : 24.58s CPU 22.50s WALL ( 8712 calls) fft : 0.35s CPU 1.31s WALL ( 15 calls) fftw : 87.73s CPU 91.69s WALL ( 847328 calls) davcio : 0.03s CPU 3.89s WALL ( 636 calls) Parallel routines fft_scatter : 62.99s CPU 63.77s WALL ( 847343 calls) PWSCF : 7m 7.59s CPU 8m52.49s WALL This run was terminated on: 21:53:36 30May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=