Program PWSCF v.5.1.1 starts on 18Nov2015 at 22:36:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Si2N2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 27 7 1632 716 111 Max 47 28 8 1639 729 116 Sum 2245 1303 379 78529 34777 5463 bravais-lattice index = 14 lattice parameter (alat) = 9.8571 a.u. unit-cell volume = 797.0819 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.857064 celldm(2)= 1.000000 celldm(3)= 0.929616 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.445513 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.445513 0.895276 0.000000 ) a(3) = ( 0.000000 0.000000 0.929616 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.497626 -0.000000 ) b(2) = ( 0.000000 1.116974 -0.000000 ) b(3) = ( 0.000000 0.000000 1.075713 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4648079 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086474 0.0139622 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172949 0.0279244 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259424 0.0418865 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345898 0.0558487 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0432373 0.0698109 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518847 0.0837731 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0605322 0.0977352 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691796 0.1116974 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0778271 0.1256596 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0864745 0.1396218 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0951220 0.1535840 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1037694 0.1675461 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1124169 0.1815083 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1210643 0.1954705 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1297118 0.2094327 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1383592 0.2233949 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1470067 0.2373570 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1556541 0.2513192 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1643016 0.2652814 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1729490 0.2792436 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1815965 0.2932058 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1902439 0.3071679 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1988914 0.3211301 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2075388 0.3350923 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2161863 0.3490545 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2248337 0.3630167 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2334812 0.3769788 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2421287 0.3909410 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2507761 0.4049032 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2594236 0.4188654 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2680710 0.4328276 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2767185 0.4467897 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2853659 0.4607519 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2940134 0.4747141 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3026608 0.4886763 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3113083 0.5026385 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3199557 0.5166006 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3286032 0.5305628 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3372506 0.5445250 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3458981 0.5584872 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3458981 0.5584872 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3294267 0.5584872 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3129554 0.5584872 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2964841 0.5584872 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2800127 0.5584872 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2635414 0.5584872 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2470701 0.5584872 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2305987 0.5584872 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2141274 0.5584872 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1976560 0.5584872 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1811847 0.5584872 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1647134 0.5584872 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1482420 0.5584872 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1317707 0.5584872 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1152994 0.5584872 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0988280 0.5584872 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0823567 0.5584872 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658853 0.5584872 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0494140 0.5584872 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329427 0.5584872 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164713 0.5584872 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5584872 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5584872 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5584872 0.0162987), wk = 0.0026738 k( 66) = ( 0.0000000 0.5584872 0.0325974), wk = 0.0026738 k( 67) = ( 0.0000000 0.5584872 0.0488961), wk = 0.0026738 k( 68) = ( 0.0000000 0.5584872 0.0651947), wk = 0.0026738 k( 69) = ( 0.0000000 0.5584872 0.0814934), wk = 0.0026738 k( 70) = ( 0.0000000 0.5584872 0.0977921), wk = 0.0026738 k( 71) = ( 0.0000000 0.5584872 0.1140908), wk = 0.0026738 k( 72) = ( 0.0000000 0.5584872 0.1303895), wk = 0.0026738 k( 73) = ( 0.0000000 0.5584872 0.1466882), wk = 0.0026738 k( 74) = ( 0.0000000 0.5584872 0.1629869), wk = 0.0026738 k( 75) = ( 0.0000000 0.5584872 0.1792856), wk = 0.0026738 k( 76) = ( 0.0000000 0.5584872 0.1955842), wk = 0.0026738 k( 77) = ( 0.0000000 0.5584872 0.2118829), wk = 0.0026738 k( 78) = ( 0.0000000 0.5584872 0.2281816), wk = 0.0026738 k( 79) = ( 0.0000000 0.5584872 0.2444803), wk = 0.0026738 k( 80) = ( 0.0000000 0.5584872 0.2607790), wk = 0.0026738 k( 81) = ( 0.0000000 0.5584872 0.2770777), wk = 0.0026738 k( 82) = ( 0.0000000 0.5584872 0.2933764), wk = 0.0026738 k( 83) = ( 0.0000000 0.5584872 0.3096750), wk = 0.0026738 k( 84) = ( 0.0000000 0.5584872 0.3259737), wk = 0.0026738 k( 85) = ( 0.0000000 0.5584872 0.3422724), wk = 0.0026738 k( 86) = ( 0.0000000 0.5584872 0.3585711), wk = 0.0026738 k( 87) = ( 0.0000000 0.5584872 0.3748698), wk = 0.0026738 k( 88) = ( 0.0000000 0.5584872 0.3911685), wk = 0.0026738 k( 89) = ( 0.0000000 0.5584872 0.4074672), wk = 0.0026738 k( 90) = ( 0.0000000 0.5584872 0.4237658), wk = 0.0026738 k( 91) = ( 0.0000000 0.5584872 0.4400645), wk = 0.0026738 k( 92) = ( 0.0000000 0.5584872 0.4563632), wk = 0.0026738 k( 93) = ( 0.0000000 0.5584872 0.4726619), wk = 0.0026738 k( 94) = ( 0.0000000 0.5584872 0.4889606), wk = 0.0026738 k( 95) = ( 0.0000000 0.5584872 0.5052593), wk = 0.0026738 k( 96) = ( 0.0000000 0.5584872 0.5215580), wk = 0.0026738 k( 97) = ( 0.0000000 0.5584872 0.5378567), wk = 0.0026738 k( 98) = ( 0.0000000 0.5584872 0.5378567), wk = 0.0026738 k( 99) = ( 0.0164713 0.5584872 0.5378567), wk = 0.0026738 k( 100) = ( 0.0329427 0.5584872 0.5378567), wk = 0.0026738 k( 101) = ( 0.0494140 0.5584872 0.5378567), wk = 0.0026738 k( 102) = ( 0.0658853 0.5584872 0.5378567), wk = 0.0026738 k( 103) = ( 0.0823567 0.5584872 0.5378567), wk = 0.0026738 k( 104) = ( 0.0988280 0.5584872 0.5378567), wk = 0.0026738 k( 105) = ( 0.1152994 0.5584872 0.5378567), wk = 0.0026738 k( 106) = ( 0.1317707 0.5584872 0.5378567), wk = 0.0026738 k( 107) = ( 0.1482420 0.5584872 0.5378567), wk = 0.0026738 k( 108) = ( 0.1647134 0.5584872 0.5378567), wk = 0.0026738 k( 109) = ( 0.1811847 0.5584872 0.5378567), wk = 0.0026738 k( 110) = ( 0.1976560 0.5584872 0.5378567), wk = 0.0026738 k( 111) = ( 0.2141274 0.5584872 0.5378567), wk = 0.0026738 k( 112) = ( 0.2305987 0.5584872 0.5378567), wk = 0.0026738 k( 113) = ( 0.2470701 0.5584872 0.5378567), wk = 0.0026738 k( 114) = ( 0.2635414 0.5584872 0.5378567), wk = 0.0026738 k( 115) = ( 0.2800127 0.5584872 0.5378567), wk = 0.0026738 k( 116) = ( 0.2964841 0.5584872 0.5378567), wk = 0.0026738 k( 117) = ( 0.3129554 0.5584872 0.5378567), wk = 0.0026738 k( 118) = ( 0.3294267 0.5584872 0.5378567), wk = 0.0026738 k( 119) = ( 0.3458981 0.5584872 0.5378567), wk = 0.0026738 k( 120) = ( 0.3458981 0.5584872 0.5378567), wk = 0.0026738 k( 121) = ( 0.3372506 0.5445250 0.5378567), wk = 0.0026738 k( 122) = ( 0.3286032 0.5305628 0.5378567), wk = 0.0026738 k( 123) = ( 0.3199557 0.5166006 0.5378567), wk = 0.0026738 k( 124) = ( 0.3113083 0.5026385 0.5378567), wk = 0.0026738 k( 125) = ( 0.3026608 0.4886763 0.5378567), wk = 0.0026738 k( 126) = ( 0.2940134 0.4747141 0.5378567), wk = 0.0026738 k( 127) = ( 0.2853659 0.4607519 0.5378567), wk = 0.0026738 k( 128) = ( 0.2767185 0.4467897 0.5378567), wk = 0.0026738 k( 129) = ( 0.2680710 0.4328276 0.5378567), wk = 0.0026738 k( 130) = ( 0.2594236 0.4188654 0.5378567), wk = 0.0026738 k( 131) = ( 0.2507761 0.4049032 0.5378567), wk = 0.0026738 k( 132) = ( 0.2421287 0.3909410 0.5378567), wk = 0.0026738 k( 133) = ( 0.2334812 0.3769788 0.5378567), wk = 0.0026738 k( 134) = ( 0.2248337 0.3630167 0.5378567), wk = 0.0026738 k( 135) = ( 0.2161863 0.3490545 0.5378567), wk = 0.0026738 k( 136) = ( 0.2075388 0.3350923 0.5378567), wk = 0.0026738 k( 137) = ( 0.1988914 0.3211301 0.5378567), wk = 0.0026738 k( 138) = ( 0.1902439 0.3071679 0.5378567), wk = 0.0026738 k( 139) = ( 0.1815965 0.2932058 0.5378567), wk = 0.0026738 k( 140) = ( 0.1729490 0.2792436 0.5378567), wk = 0.0026738 k( 141) = ( 0.1643016 0.2652814 0.5378567), wk = 0.0026738 k( 142) = ( 0.1556541 0.2513192 0.5378567), wk = 0.0026738 k( 143) = ( 0.1470067 0.2373570 0.5378567), wk = 0.0026738 k( 144) = ( 0.1383592 0.2233949 0.5378567), wk = 0.0026738 k( 145) = ( 0.1297118 0.2094327 0.5378567), wk = 0.0026738 k( 146) = ( 0.1210643 0.1954705 0.5378567), wk = 0.0026738 k( 147) = ( 0.1124169 0.1815083 0.5378567), wk = 0.0026738 k( 148) = ( 0.1037694 0.1675461 0.5378567), wk = 0.0026738 k( 149) = ( 0.0951220 0.1535840 0.5378567), wk = 0.0026738 k( 150) = ( 0.0864745 0.1396218 0.5378567), wk = 0.0026738 k( 151) = ( 0.0778271 0.1256596 0.5378567), wk = 0.0026738 k( 152) = ( 0.0691796 0.1116974 0.5378567), wk = 0.0026738 k( 153) = ( 0.0605322 0.0977352 0.5378567), wk = 0.0026738 k( 154) = ( 0.0518847 0.0837731 0.5378567), wk = 0.0026738 k( 155) = ( 0.0432373 0.0698109 0.5378567), wk = 0.0026738 k( 156) = ( 0.0345898 0.0558487 0.5378567), wk = 0.0026738 k( 157) = ( 0.0259424 0.0418865 0.5378567), wk = 0.0026738 k( 158) = ( 0.0172949 0.0279244 0.5378567), wk = 0.0026738 k( 159) = ( 0.0086474 0.0139622 0.5378567), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5378567), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5378567), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5215580), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5052593), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4889606), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4726619), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4563632), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4400645), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4237658), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4074672), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3911685), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3748698), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3585711), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3422724), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3259737), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3096750), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2933764), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2770777), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2607790), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2444803), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2281816), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2118829), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1955842), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1792856), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1629869), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1466882), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1303895), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1140908), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0977921), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0814934), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0651947), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0488961), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0325974), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0162987), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0086021 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0172041 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0258062 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0344082 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0430103 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0516124 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0602144 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0688165 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0774185 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0860206 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0946227 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1032247 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1118268 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1204288 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1290309 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1376330 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1462350 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1548371 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1634391 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1720412 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1806433 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1892453 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1978474 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2064494 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2150515 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2236535 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2322556 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2408577 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2494597 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2580618 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2666639 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2752659 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2838680 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2924700 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3010721 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3096741 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3096741 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914388 0.3234971 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828776 0.3373200 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4743163 0.3511430 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657551 0.3649659 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571939 0.3787889 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4486327 0.3926118 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4400715 0.4064348 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4315103 0.4202577 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4229490 0.4340807 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4143878 0.4479036 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4058266 0.4617266 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3972654 0.4755495 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3887042 0.4893724 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3801429 0.5031954 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3715817 0.5170183 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3630205 0.5308413 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3544593 0.5446642 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3458981 0.5584872 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3458981 0.5584872 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3458981 0.5584872 0.0162987), wk = 0.0026738 k( 253) = ( -0.3458981 0.5584872 0.0325974), wk = 0.0026738 k( 254) = ( -0.3458981 0.5584872 0.0488961), wk = 0.0026738 k( 255) = ( -0.3458981 0.5584872 0.0651947), wk = 0.0026738 k( 256) = ( -0.3458981 0.5584872 0.0814934), wk = 0.0026738 k( 257) = ( -0.3458981 0.5584872 0.0977921), wk = 0.0026738 k( 258) = ( -0.3458981 0.5584872 0.1140908), wk = 0.0026738 k( 259) = ( -0.3458981 0.5584872 0.1303895), wk = 0.0026738 k( 260) = ( -0.3458981 0.5584872 0.1466882), wk = 0.0026738 k( 261) = ( -0.3458981 0.5584872 0.1629869), wk = 0.0026738 k( 262) = ( -0.3458981 0.5584872 0.1792856), wk = 0.0026738 k( 263) = ( -0.3458981 0.5584872 0.1955842), wk = 0.0026738 k( 264) = ( -0.3458981 0.5584872 0.2118829), wk = 0.0026738 k( 265) = ( -0.3458981 0.5584872 0.2281816), wk = 0.0026738 k( 266) = ( -0.3458981 0.5584872 0.2444803), wk = 0.0026738 k( 267) = ( -0.3458981 0.5584872 0.2607790), wk = 0.0026738 k( 268) = ( -0.3458981 0.5584872 0.2770777), wk = 0.0026738 k( 269) = ( -0.3458981 0.5584872 0.2933764), wk = 0.0026738 k( 270) = ( -0.3458981 0.5584872 0.3096750), wk = 0.0026738 k( 271) = ( -0.3458981 0.5584872 0.3259737), wk = 0.0026738 k( 272) = ( -0.3458981 0.5584872 0.3422724), wk = 0.0026738 k( 273) = ( -0.3458981 0.5584872 0.3585711), wk = 0.0026738 k( 274) = ( -0.3458981 0.5584872 0.3748698), wk = 0.0026738 k( 275) = ( -0.3458981 0.5584872 0.3911685), wk = 0.0026738 k( 276) = ( -0.3458981 0.5584872 0.4074672), wk = 0.0026738 k( 277) = ( -0.3458981 0.5584872 0.4237658), wk = 0.0026738 k( 278) = ( -0.3458981 0.5584872 0.4400645), wk = 0.0026738 k( 279) = ( -0.3458981 0.5584872 0.4563632), wk = 0.0026738 k( 280) = ( -0.3458981 0.5584872 0.4726619), wk = 0.0026738 k( 281) = ( -0.3458981 0.5584872 0.4889606), wk = 0.0026738 k( 282) = ( -0.3458981 0.5584872 0.5052593), wk = 0.0026738 k( 283) = ( -0.3458981 0.5584872 0.5215580), wk = 0.0026738 k( 284) = ( -0.3458981 0.5584872 0.5378567), wk = 0.0026738 k( 285) = ( -0.3458981 0.5584872 0.5378567), wk = 0.0026738 k( 286) = ( -0.3544593 0.5446642 0.5378567), wk = 0.0026738 k( 287) = ( -0.3630205 0.5308413 0.5378567), wk = 0.0026738 k( 288) = ( -0.3715817 0.5170183 0.5378567), wk = 0.0026738 k( 289) = ( -0.3801429 0.5031954 0.5378567), wk = 0.0026738 k( 290) = ( -0.3887042 0.4893724 0.5378567), wk = 0.0026738 k( 291) = ( -0.3972654 0.4755495 0.5378567), wk = 0.0026738 k( 292) = ( -0.4058266 0.4617266 0.5378567), wk = 0.0026738 k( 293) = ( -0.4143878 0.4479036 0.5378567), wk = 0.0026738 k( 294) = ( -0.4229490 0.4340807 0.5378567), wk = 0.0026738 k( 295) = ( -0.4315103 0.4202577 0.5378567), wk = 0.0026738 k( 296) = ( -0.4400715 0.4064348 0.5378567), wk = 0.0026738 k( 297) = ( -0.4486327 0.3926118 0.5378567), wk = 0.0026738 k( 298) = ( -0.4571939 0.3787889 0.5378567), wk = 0.0026738 k( 299) = ( -0.4657551 0.3649659 0.5378567), wk = 0.0026738 k( 300) = ( -0.4743163 0.3511430 0.5378567), wk = 0.0026738 k( 301) = ( -0.4828776 0.3373200 0.5378567), wk = 0.0026738 k( 302) = ( -0.4914388 0.3234971 0.5378567), wk = 0.0026738 k( 303) = ( -0.5000000 0.3096741 0.5378567), wk = 0.0026738 k( 304) = ( -0.5000000 0.3096741 0.5378567), wk = 0.0026738 k( 305) = ( -0.5000000 0.3096741 0.5215580), wk = 0.0026738 k( 306) = ( -0.5000000 0.3096741 0.5052593), wk = 0.0026738 k( 307) = ( -0.5000000 0.3096741 0.4889606), wk = 0.0026738 k( 308) = ( -0.5000000 0.3096741 0.4726619), wk = 0.0026738 k( 309) = ( -0.5000000 0.3096741 0.4563632), wk = 0.0026738 k( 310) = ( -0.5000000 0.3096741 0.4400645), wk = 0.0026738 k( 311) = ( -0.5000000 0.3096741 0.4237658), wk = 0.0026738 k( 312) = ( -0.5000000 0.3096741 0.4074672), wk = 0.0026738 k( 313) = ( -0.5000000 0.3096741 0.3911685), wk = 0.0026738 k( 314) = ( -0.5000000 0.3096741 0.3748698), wk = 0.0026738 k( 315) = ( -0.5000000 0.3096741 0.3585711), wk = 0.0026738 k( 316) = ( -0.5000000 0.3096741 0.3422724), wk = 0.0026738 k( 317) = ( -0.5000000 0.3096741 0.3259737), wk = 0.0026738 k( 318) = ( -0.5000000 0.3096741 0.3096750), wk = 0.0026738 k( 319) = ( -0.5000000 0.3096741 0.2933764), wk = 0.0026738 k( 320) = ( -0.5000000 0.3096741 0.2770777), wk = 0.0026738 k( 321) = ( -0.5000000 0.3096741 0.2607790), wk = 0.0026738 k( 322) = ( -0.5000000 0.3096741 0.2444803), wk = 0.0026738 k( 323) = ( -0.5000000 0.3096741 0.2281816), wk = 0.0026738 k( 324) = ( -0.5000000 0.3096741 0.2118829), wk = 0.0026738 k( 325) = ( -0.5000000 0.3096741 0.1955842), wk = 0.0026738 k( 326) = ( -0.5000000 0.3096741 0.1792856), wk = 0.0026738 k( 327) = ( -0.5000000 0.3096741 0.1629869), wk = 0.0026738 k( 328) = ( -0.5000000 0.3096741 0.1466882), wk = 0.0026738 k( 329) = ( -0.5000000 0.3096741 0.1303895), wk = 0.0026738 k( 330) = ( -0.5000000 0.3096741 0.1140908), wk = 0.0026738 k( 331) = ( -0.5000000 0.3096741 0.0977921), wk = 0.0026738 k( 332) = ( -0.5000000 0.3096741 0.0814934), wk = 0.0026738 k( 333) = ( -0.5000000 0.3096741 0.0651947), wk = 0.0026738 k( 334) = ( -0.5000000 0.3096741 0.0488961), wk = 0.0026738 k( 335) = ( -0.5000000 0.3096741 0.0325974), wk = 0.0026738 k( 336) = ( -0.5000000 0.3096741 0.0162987), wk = 0.0026738 k( 337) = ( -0.5000000 0.3096741 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5378567), wk = 0.0026738 k( 339) = ( -0.0138889 0.0086021 0.5378567), wk = 0.0026738 k( 340) = ( -0.0277778 0.0172041 0.5378567), wk = 0.0026738 k( 341) = ( -0.0416667 0.0258062 0.5378567), wk = 0.0026738 k( 342) = ( -0.0555556 0.0344082 0.5378567), wk = 0.0026738 k( 343) = ( -0.0694444 0.0430103 0.5378567), wk = 0.0026738 k( 344) = ( -0.0833333 0.0516124 0.5378567), wk = 0.0026738 k( 345) = ( -0.0972222 0.0602144 0.5378567), wk = 0.0026738 k( 346) = ( -0.1111111 0.0688165 0.5378567), wk = 0.0026738 k( 347) = ( -0.1250000 0.0774185 0.5378567), wk = 0.0026738 k( 348) = ( -0.1388889 0.0860206 0.5378567), wk = 0.0026738 k( 349) = ( -0.1527778 0.0946227 0.5378567), wk = 0.0026738 k( 350) = ( -0.1666667 0.1032247 0.5378567), wk = 0.0026738 k( 351) = ( -0.1805556 0.1118268 0.5378567), wk = 0.0026738 k( 352) = ( -0.1944444 0.1204288 0.5378567), wk = 0.0026738 k( 353) = ( -0.2083333 0.1290309 0.5378567), wk = 0.0026738 k( 354) = ( -0.2222222 0.1376330 0.5378567), wk = 0.0026738 k( 355) = ( -0.2361111 0.1462350 0.5378567), wk = 0.0026738 k( 356) = ( -0.2500000 0.1548371 0.5378567), wk = 0.0026738 k( 357) = ( -0.2638889 0.1634391 0.5378567), wk = 0.0026738 k( 358) = ( -0.2777778 0.1720412 0.5378567), wk = 0.0026738 k( 359) = ( -0.2916667 0.1806433 0.5378567), wk = 0.0026738 k( 360) = ( -0.3055556 0.1892453 0.5378567), wk = 0.0026738 k( 361) = ( -0.3194444 0.1978474 0.5378567), wk = 0.0026738 k( 362) = ( -0.3333333 0.2064494 0.5378567), wk = 0.0026738 k( 363) = ( -0.3472222 0.2150515 0.5378567), wk = 0.0026738 k( 364) = ( -0.3611111 0.2236535 0.5378567), wk = 0.0026738 k( 365) = ( -0.3750000 0.2322556 0.5378567), wk = 0.0026738 k( 366) = ( -0.3888889 0.2408577 0.5378567), wk = 0.0026738 k( 367) = ( -0.4027778 0.2494597 0.5378567), wk = 0.0026738 k( 368) = ( -0.4166667 0.2580618 0.5378567), wk = 0.0026738 k( 369) = ( -0.4305556 0.2666639 0.5378567), wk = 0.0026738 k( 370) = ( -0.4444444 0.2752659 0.5378567), wk = 0.0026738 k( 371) = ( -0.4583333 0.2838680 0.5378567), wk = 0.0026738 k( 372) = ( -0.4722222 0.2924700 0.5378567), wk = 0.0026738 k( 373) = ( -0.4861111 0.3010721 0.5378567), wk = 0.0026738 k( 374) = ( -0.5000000 0.3096741 0.5378567), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086474 0.0086475 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172949 0.0172949 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259424 0.0259424 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345898 0.0345898 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0432373 0.0432373 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518847 0.0518847 0.0000000), wk = 0.0026738 k( 8) = ( 0.0605322 0.0605322 0.0000000), wk = 0.0026738 k( 9) = ( 0.0691796 0.0691796 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0778271 0.0778271 0.0000000), wk = 0.0026738 k( 11) = ( 0.0864745 0.0864745 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0951220 0.0951220 0.0000000), wk = 0.0026738 k( 13) = ( 0.1037694 0.1037694 0.0000000), wk = 0.0026738 k( 14) = ( 0.1124169 0.1124169 0.0000000), wk = 0.0026738 k( 15) = ( 0.1210643 0.1210643 0.0000000), wk = 0.0026738 k( 16) = ( 0.1297118 0.1297118 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1383592 0.1383592 0.0000000), wk = 0.0026738 k( 18) = ( 0.1470067 0.1470067 0.0000000), wk = 0.0026738 k( 19) = ( 0.1556541 0.1556541 0.0000000), wk = 0.0026738 k( 20) = ( 0.1643016 0.1643016 0.0000000), wk = 0.0026738 k( 21) = ( 0.1729490 0.1729490 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1815965 0.1815965 0.0000000), wk = 0.0026738 k( 23) = ( 0.1902439 0.1902439 0.0000000), wk = 0.0026738 k( 24) = ( 0.1988914 0.1988914 0.0000000), wk = 0.0026738 k( 25) = ( 0.2075388 0.2075388 0.0000000), wk = 0.0026738 k( 26) = ( 0.2161863 0.2161863 0.0000000), wk = 0.0026738 k( 27) = ( 0.2248337 0.2248337 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2334812 0.2334812 0.0000000), wk = 0.0026738 k( 29) = ( 0.2421287 0.2421287 0.0000000), wk = 0.0026738 k( 30) = ( 0.2507761 0.2507761 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2594236 0.2594236 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2680710 0.2680710 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2767185 0.2767185 0.0000000), wk = 0.0026738 k( 34) = ( 0.2853659 0.2853659 0.0000000), wk = 0.0026738 k( 35) = ( 0.2940134 0.2940134 0.0000000), wk = 0.0026738 k( 36) = ( 0.3026608 0.3026608 0.0000000), wk = 0.0026738 k( 37) = ( 0.3113083 0.3113083 0.0000000), wk = 0.0026738 k( 38) = ( 0.3199557 0.3199557 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3286032 0.3286032 0.0000000), wk = 0.0026738 k( 40) = ( 0.3372506 0.3372506 0.0000000), wk = 0.0026738 k( 41) = ( 0.3458981 0.3458981 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3458981 0.3458981 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3294267 0.3532363 0.0000000), wk = 0.0026738 k( 44) = ( 0.3129554 0.3605744 0.0000000), wk = 0.0026738 k( 45) = ( 0.2964841 0.3679126 0.0000000), wk = 0.0026738 k( 46) = ( 0.2800127 0.3752508 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2635414 0.3825890 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2470701 0.3899272 0.0000000), wk = 0.0026738 k( 49) = ( 0.2305987 0.3972654 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2141274 0.4046036 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1976560 0.4119418 0.0000000), wk = 0.0026738 k( 52) = ( 0.1811847 0.4192799 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1647134 0.4266181 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1482420 0.4339563 0.0000000), wk = 0.0026738 k( 55) = ( 0.1317707 0.4412945 0.0000000), wk = 0.0026738 k( 56) = ( 0.1152994 0.4486327 0.0000000), wk = 0.0026738 k( 57) = ( 0.0988280 0.4559709 0.0000000), wk = 0.0026738 k( 58) = ( 0.0823567 0.4633091 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658853 0.4706473 0.0000000), wk = 0.0026738 k( 60) = ( 0.0494140 0.4779854 0.0000000), wk = 0.0026738 k( 61) = ( 0.0329427 0.4853236 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164713 0.4926618 0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 99) = ( 0.0164713 0.4926618 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329427 0.4853236 0.5000000), wk = 0.0026738 k( 101) = ( 0.0494140 0.4779854 0.5000000), wk = 0.0026738 k( 102) = ( 0.0658853 0.4706473 0.5000000), wk = 0.0026738 k( 103) = ( 0.0823567 0.4633091 0.5000000), wk = 0.0026738 k( 104) = ( 0.0988280 0.4559709 0.5000000), wk = 0.0026738 k( 105) = ( 0.1152994 0.4486327 0.5000000), wk = 0.0026738 k( 106) = ( 0.1317707 0.4412945 0.5000000), wk = 0.0026738 k( 107) = ( 0.1482420 0.4339563 0.5000000), wk = 0.0026738 k( 108) = ( 0.1647134 0.4266181 0.5000000), wk = 0.0026738 k( 109) = ( 0.1811847 0.4192799 0.5000000), wk = 0.0026738 k( 110) = ( 0.1976560 0.4119418 0.5000000), wk = 0.0026738 k( 111) = ( 0.2141274 0.4046036 0.5000000), wk = 0.0026738 k( 112) = ( 0.2305987 0.3972654 0.5000000), wk = 0.0026738 k( 113) = ( 0.2470701 0.3899272 0.5000000), wk = 0.0026738 k( 114) = ( 0.2635414 0.3825890 0.5000000), wk = 0.0026738 k( 115) = ( 0.2800127 0.3752508 0.5000000), wk = 0.0026738 k( 116) = ( 0.2964841 0.3679126 0.5000000), wk = 0.0026738 k( 117) = ( 0.3129554 0.3605744 0.5000000), wk = 0.0026738 k( 118) = ( 0.3294267 0.3532363 0.5000000), wk = 0.0026738 k( 119) = ( 0.3458981 0.3458981 0.5000000), wk = 0.0026738 k( 120) = ( 0.3458981 0.3458981 0.5000000), wk = 0.0026738 k( 121) = ( 0.3372506 0.3372506 0.5000000), wk = 0.0026738 k( 122) = ( 0.3286032 0.3286032 0.5000000), wk = 0.0026738 k( 123) = ( 0.3199557 0.3199557 0.5000000), wk = 0.0026738 k( 124) = ( 0.3113083 0.3113083 0.5000000), wk = 0.0026738 k( 125) = ( 0.3026608 0.3026608 0.5000000), wk = 0.0026738 k( 126) = ( 0.2940134 0.2940134 0.5000000), wk = 0.0026738 k( 127) = ( 0.2853659 0.2853659 0.5000000), wk = 0.0026738 k( 128) = ( 0.2767185 0.2767185 0.5000000), wk = 0.0026738 k( 129) = ( 0.2680710 0.2680710 0.5000000), wk = 0.0026738 k( 130) = ( 0.2594236 0.2594236 0.5000000), wk = 0.0026738 k( 131) = ( 0.2507761 0.2507761 0.5000000), wk = 0.0026738 k( 132) = ( 0.2421287 0.2421287 0.5000000), wk = 0.0026738 k( 133) = ( 0.2334812 0.2334812 0.5000000), wk = 0.0026738 k( 134) = ( 0.2248337 0.2248337 0.5000000), wk = 0.0026738 k( 135) = ( 0.2161863 0.2161863 0.5000000), wk = 0.0026738 k( 136) = ( 0.2075388 0.2075388 0.5000000), wk = 0.0026738 k( 137) = ( 0.1988914 0.1988914 0.5000000), wk = 0.0026738 k( 138) = ( 0.1902439 0.1902439 0.5000000), wk = 0.0026738 k( 139) = ( 0.1815965 0.1815965 0.5000000), wk = 0.0026738 k( 140) = ( 0.1729490 0.1729490 0.5000000), wk = 0.0026738 k( 141) = ( 0.1643016 0.1643016 0.5000000), wk = 0.0026738 k( 142) = ( 0.1556541 0.1556541 0.5000000), wk = 0.0026738 k( 143) = ( 0.1470067 0.1470067 0.5000000), wk = 0.0026738 k( 144) = ( 0.1383592 0.1383592 0.5000000), wk = 0.0026738 k( 145) = ( 0.1297118 0.1297118 0.5000000), wk = 0.0026738 k( 146) = ( 0.1210643 0.1210643 0.5000000), wk = 0.0026738 k( 147) = ( 0.1124169 0.1124169 0.5000000), wk = 0.0026738 k( 148) = ( 0.1037694 0.1037694 0.5000000), wk = 0.0026738 k( 149) = ( 0.0951220 0.0951220 0.5000000), wk = 0.0026738 k( 150) = ( 0.0864745 0.0864745 0.5000000), wk = 0.0026738 k( 151) = ( 0.0778271 0.0778271 0.5000000), wk = 0.0026738 k( 152) = ( 0.0691796 0.0691796 0.5000000), wk = 0.0026738 k( 153) = ( 0.0605322 0.0605322 0.5000000), wk = 0.0026738 k( 154) = ( 0.0518847 0.0518847 0.5000000), wk = 0.0026738 k( 155) = ( 0.0432373 0.0432373 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345898 0.0345898 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259424 0.0259424 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172949 0.0172949 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086474 0.0086475 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0138889 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0277778 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0416667 -0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0694444 -0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0972222 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.1388889 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.1527778 -0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1805556 -0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.2083333 -0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.2361111 -0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.2638889 -0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.3055556 -0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.3194444 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.3472222 -0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.3611111 -0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.3888889 -0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.4027778 -0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.4305556 -0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.4583333 -0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.4722222 -0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.4861111 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738 k( 233) = ( -0.4914388 0.5085612 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828776 0.5171224 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4743163 0.5256836 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657551 0.5342449 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571939 0.5428061 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4486327 0.5513673 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4400715 0.5599285 0.0000000), wk = 0.0026738 k( 240) = ( -0.4315103 0.5684897 0.0000000), wk = 0.0026738 k( 241) = ( -0.4229490 0.5770510 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4143878 0.5856122 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4058266 0.5941734 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3972654 0.6027346 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3887042 0.6112958 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3801429 0.6198571 0.0000000), wk = 0.0026738 k( 247) = ( -0.3715817 0.6284183 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3630205 0.6369795 0.0000000), wk = 0.0026738 k( 249) = ( -0.3544593 0.6455407 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3458981 0.6541019 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3458981 0.6541019 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3458981 0.6541019 0.0151515), wk = 0.0026738 k( 253) = ( -0.3458981 0.6541019 0.0303030), wk = 0.0026738 k( 254) = ( -0.3458981 0.6541019 0.0454546), wk = 0.0026738 k( 255) = ( -0.3458981 0.6541019 0.0606061), wk = 0.0026738 k( 256) = ( -0.3458981 0.6541019 0.0757576), wk = 0.0026738 k( 257) = ( -0.3458981 0.6541019 0.0909091), wk = 0.0026738 k( 258) = ( -0.3458981 0.6541019 0.1060606), wk = 0.0026738 k( 259) = ( -0.3458981 0.6541019 0.1212121), wk = 0.0026738 k( 260) = ( -0.3458981 0.6541019 0.1363636), wk = 0.0026738 k( 261) = ( -0.3458981 0.6541019 0.1515151), wk = 0.0026738 k( 262) = ( -0.3458981 0.6541019 0.1666667), wk = 0.0026738 k( 263) = ( -0.3458981 0.6541019 0.1818182), wk = 0.0026738 k( 264) = ( -0.3458981 0.6541019 0.1969697), wk = 0.0026738 k( 265) = ( -0.3458981 0.6541019 0.2121212), wk = 0.0026738 k( 266) = ( -0.3458981 0.6541019 0.2272727), wk = 0.0026738 k( 267) = ( -0.3458981 0.6541019 0.2424242), wk = 0.0026738 k( 268) = ( -0.3458981 0.6541019 0.2575758), wk = 0.0026738 k( 269) = ( -0.3458981 0.6541019 0.2727273), wk = 0.0026738 k( 270) = ( -0.3458981 0.6541019 0.2878788), wk = 0.0026738 k( 271) = ( -0.3458981 0.6541019 0.3030303), wk = 0.0026738 k( 272) = ( -0.3458981 0.6541019 0.3181818), wk = 0.0026738 k( 273) = ( -0.3458981 0.6541019 0.3333333), wk = 0.0026738 k( 274) = ( -0.3458981 0.6541019 0.3484849), wk = 0.0026738 k( 275) = ( -0.3458981 0.6541019 0.3636364), wk = 0.0026738 k( 276) = ( -0.3458981 0.6541019 0.3787879), wk = 0.0026738 k( 277) = ( -0.3458981 0.6541019 0.3939394), wk = 0.0026738 k( 278) = ( -0.3458981 0.6541019 0.4090909), wk = 0.0026738 k( 279) = ( -0.3458981 0.6541019 0.4242424), wk = 0.0026738 k( 280) = ( -0.3458981 0.6541019 0.4393939), wk = 0.0026738 k( 281) = ( -0.3458981 0.6541019 0.4545454), wk = 0.0026738 k( 282) = ( -0.3458981 0.6541019 0.4696970), wk = 0.0026738 k( 283) = ( -0.3458981 0.6541019 0.4848485), wk = 0.0026738 k( 284) = ( -0.3458981 0.6541019 0.5000000), wk = 0.0026738 k( 285) = ( -0.3458981 0.6541019 0.5000000), wk = 0.0026738 k( 286) = ( -0.3544593 0.6455407 0.5000000), wk = 0.0026738 k( 287) = ( -0.3630205 0.6369795 0.5000000), wk = 0.0026738 k( 288) = ( -0.3715817 0.6284183 0.5000000), wk = 0.0026738 k( 289) = ( -0.3801429 0.6198571 0.5000000), wk = 0.0026738 k( 290) = ( -0.3887042 0.6112958 0.5000000), wk = 0.0026738 k( 291) = ( -0.3972654 0.6027346 0.5000000), wk = 0.0026738 k( 292) = ( -0.4058266 0.5941734 0.5000000), wk = 0.0026738 k( 293) = ( -0.4143878 0.5856122 0.5000000), wk = 0.0026738 k( 294) = ( -0.4229490 0.5770510 0.5000000), wk = 0.0026738 k( 295) = ( -0.4315103 0.5684897 0.5000000), wk = 0.0026738 k( 296) = ( -0.4400715 0.5599285 0.5000000), wk = 0.0026738 k( 297) = ( -0.4486327 0.5513673 0.5000000), wk = 0.0026738 k( 298) = ( -0.4571939 0.5428061 0.5000000), wk = 0.0026738 k( 299) = ( -0.4657551 0.5342449 0.5000000), wk = 0.0026738 k( 300) = ( -0.4743163 0.5256836 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828776 0.5171224 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914388 0.5085612 0.5000000), wk = 0.0026738 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4545454), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738 k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738 k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738 k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738 k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738 k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738 k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738 k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738 k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738 k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738 k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738 k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738 k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738 k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738 k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738 k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738 k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738 k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738 k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 78529 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34777 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 186, 58) NL pseudopotentials 0.31 Mb ( 93, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1639) G-vector shells 0.01 Mb ( 839) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 186, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.7 secs Computing kpt #: 2 total cpu time spent up to now is 47.3 secs Computing kpt #: 3 total cpu time spent up to now is 49.9 secs Computing kpt #: 4 total cpu time spent up to now is 52.6 secs Computing kpt #: 5 total cpu time spent up to now is 55.3 secs Computing kpt #: 6 total cpu time spent up to now is 57.9 secs Computing kpt #: 7 total cpu time spent up to now is 60.4 secs Computing kpt #: 8 total cpu time spent up to now is 63.5 secs Computing kpt #: 9 total cpu time spent up to now is 66.2 secs Computing kpt #: 10 total cpu time spent up to now is 68.7 secs Computing kpt #: 11 total cpu time spent up to now is 71.3 secs Computing kpt #: 12 total cpu time spent up to now is 73.9 secs Computing kpt #: 13 total cpu time spent up to now is 76.3 secs Computing kpt #: 14 total cpu time spent up to now is 79.2 secs Computing kpt #: 15 total cpu time spent up to now is 81.7 secs Computing kpt #: 16 total cpu time spent up to now is 84.2 secs Computing kpt #: 17 total cpu time spent up to now is 86.6 secs Computing kpt #: 18 total cpu time spent up to now is 89.3 secs Computing kpt #: 19 total cpu time spent up to now is 92.0 secs Computing kpt #: 20 total cpu time spent up to now is 94.7 secs Computing kpt #: 21 total cpu time spent up to now is 97.8 secs Computing kpt #: 22 total cpu time spent up to now is 100.9 secs Computing kpt #: 23 total cpu time spent up to now is 103.7 secs Computing kpt #: 24 total cpu time spent up to now is 107.1 secs Computing kpt #: 25 total cpu time spent up to now is 110.3 secs Computing kpt #: 26 total cpu time spent up to now is 113.4 secs Computing kpt #: 27 total cpu time spent up to now is 116.4 secs Computing kpt #: 28 total cpu time spent up to now is 120.0 secs Computing kpt #: 29 total cpu time spent up to now is 122.5 secs Computing kpt #: 30 total cpu time spent up to now is 125.3 secs Computing kpt #: 31 total cpu time spent up to now is 128.2 secs Computing kpt #: 32 total cpu time spent up to now is 131.7 secs Computing kpt #: 33 total cpu time spent up to now is 134.8 secs Computing kpt #: 34 total cpu time spent up to now is 137.9 secs Computing kpt #: 35 total cpu time spent up to now is 141.4 secs Computing kpt #: 36 total cpu time spent up to now is 144.6 secs Computing kpt #: 37 total cpu time spent up to now is 147.8 secs Computing kpt #: 38 total cpu time spent up to now is 152.3 secs Computing kpt #: 39 total cpu time spent up to now is 156.1 secs Computing kpt #: 40 total cpu time spent up to now is 159.1 secs Computing kpt #: 41 total cpu time spent up to now is 162.3 secs Computing kpt #: 42 total cpu time spent up to now is 165.1 secs Computing kpt #: 43 total cpu time spent up to now is 168.2 secs Computing kpt #: 44 total cpu time spent up to now is 171.5 secs Computing kpt #: 45 total cpu time spent up to now is 174.6 secs Computing kpt #: 46 total cpu time spent up to now is 177.7 secs Computing kpt #: 47 total cpu time spent up to now is 181.1 secs Computing kpt #: 48 total cpu time spent up to now is 184.6 secs Computing kpt #: 49 total cpu time spent up to now is 187.8 secs Computing kpt #: 50 total cpu time spent up to now is 191.4 secs Computing kpt #: 51 total cpu time spent up to now is 194.9 secs Computing kpt #: 52 total cpu time spent up to now is 198.7 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.3 secs Computing kpt #: 54 total cpu time spent up to now is 207.9 secs Computing kpt #: 55 total cpu time spent up to now is 211.2 secs Computing kpt #: 56 total cpu time spent up to now is 214.3 secs Computing kpt #: 57 total cpu time spent up to now is 217.3 secs Computing kpt #: 58 total cpu time spent up to now is 220.1 secs Computing kpt #: 59 total cpu time spent up to now is 222.7 secs Computing kpt #: 60 total cpu time spent up to now is 225.3 secs Computing kpt #: 61 total cpu time spent up to now is 227.8 secs Computing kpt #: 62 total cpu time spent up to now is 230.3 secs Computing kpt #: 63 total cpu time spent up to now is 232.8 secs Computing kpt #: 64 total cpu time spent up to now is 235.2 secs Computing kpt #: 65 total cpu time spent up to now is 237.8 secs Computing kpt #: 66 total cpu time spent up to now is 240.4 secs Computing kpt #: 67 total cpu time spent up to now is 243.0 secs Computing kpt #: 68 total cpu time spent up to now is 245.7 secs Computing kpt #: 69 total cpu time spent up to now is 248.6 secs Computing kpt #: 70 total cpu time spent up to now is 251.5 secs Computing kpt #: 71 total cpu time spent up to now is 254.6 secs Computing kpt #: 72 total cpu time spent up to now is 257.7 secs Computing kpt #: 73 total cpu time spent up to now is 260.7 secs Computing kpt #: 74 total cpu time spent up to now is 263.8 secs Computing kpt #: 75 total cpu time spent up to now is 267.4 secs Computing kpt #: 76 total cpu time spent up to now is 272.5 secs Computing kpt #: 77 total cpu time spent up to now is 276.9 secs Computing kpt #: 78 total cpu time spent up to now is 281.2 secs Computing kpt #: 79 total cpu time spent up to now is 285.7 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.0 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.3 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.6 secs Computing kpt #: 83 total cpu time spent up to now is 306.3 secs Computing kpt #: 84 total cpu time spent up to now is 309.9 secs Computing kpt #: 85 total cpu time spent up to now is 312.9 secs Computing kpt #: 86 total cpu time spent up to now is 315.8 secs Computing kpt #: 87 total cpu time spent up to now is 318.7 secs Computing kpt #: 88 total cpu time spent up to now is 321.7 secs Computing kpt #: 89 total cpu time spent up to now is 324.4 secs Computing kpt #: 90 total cpu time spent up to now is 327.2 secs Computing kpt #: 91 total cpu time spent up to now is 329.7 secs Computing kpt #: 92 total cpu time spent up to now is 332.6 secs Computing kpt #: 93 total cpu time spent up to now is 335.0 secs Computing kpt #: 94 total cpu time spent up to now is 337.5 secs Computing kpt #: 95 total cpu time spent up to now is 340.5 secs Computing kpt #: 96 total cpu time spent up to now is 343.2 secs Computing kpt #: 97 total cpu time spent up to now is 346.7 secs Computing kpt #: 98 total cpu time spent up to now is 350.1 secs Computing kpt #: 99 total cpu time spent up to now is 353.6 secs Computing kpt #: 100 total cpu time spent up to now is 356.8 secs Computing kpt #: 101 total cpu time spent up to now is 360.2 secs Computing kpt #: 102 total cpu time spent up to now is 363.6 secs Computing kpt #: 103 total cpu time spent up to now is 366.9 secs Computing kpt #: 104 total cpu time spent up to now is 370.1 secs Computing kpt #: 105 total cpu time spent up to now is 373.7 secs Computing kpt #: 106 total cpu time spent up to now is 377.0 secs Computing kpt #: 107 total cpu time spent up to now is 380.3 secs Computing kpt #: 108 total cpu time spent up to now is 383.7 secs Computing kpt #: 109 total cpu time spent up to now is 387.5 secs Computing kpt #: 110 total cpu time spent up to now is 390.8 secs Computing kpt #: 111 total cpu time spent up to now is 394.3 secs Computing kpt #: 112 total cpu time spent up to now is 397.6 secs Computing kpt #: 113 total cpu time spent up to now is 401.1 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 406.1 secs Computing kpt #: 115 total cpu time spent up to now is 409.6 secs Computing kpt #: 116 total cpu time spent up to now is 412.9 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 418.1 secs Computing kpt #: 118 total cpu time spent up to now is 422.6 secs Computing kpt #: 119 total cpu time spent up to now is 426.2 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.2 secs Computing kpt #: 121 total cpu time spent up to now is 435.5 secs Computing kpt #: 122 total cpu time spent up to now is 440.1 secs Computing kpt #: 123 total cpu time spent up to now is 443.4 secs Computing kpt #: 124 total cpu time spent up to now is 446.8 secs Computing kpt #: 125 total cpu time spent up to now is 450.1 secs Computing kpt #: 126 total cpu time spent up to now is 453.3 secs Computing kpt #: 127 total cpu time spent up to now is 456.6 secs Computing kpt #: 128 total cpu time spent up to now is 459.7 secs Computing kpt #: 129 total cpu time spent up to now is 462.9 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 467.9 secs Computing kpt #: 131 total cpu time spent up to now is 472.2 secs Computing kpt #: 132 total cpu time spent up to now is 476.5 secs Computing kpt #: 133 total cpu time spent up to now is 480.1 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.0 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 490.2 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 495.1 secs Computing kpt #: 137 total cpu time spent up to now is 498.6 secs Computing kpt #: 138 total cpu time spent up to now is 503.0 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.0 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 513.1 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.9 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 522.9 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 527.8 secs Computing kpt #: 144 total cpu time spent up to now is 531.3 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 536.3 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 541.2 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 546.0 secs Computing kpt #: 148 total cpu time spent up to now is 549.6 secs Computing kpt #: 149 total cpu time spent up to now is 553.9 secs Computing kpt #: 150 total cpu time spent up to now is 557.5 secs Computing kpt #: 151 total cpu time spent up to now is 561.0 secs Computing kpt #: 152 total cpu time spent up to now is 564.5 secs Computing kpt #: 153 total cpu time spent up to now is 569.4 secs Computing kpt #: 154 total cpu time spent up to now is 574.2 secs Computing kpt #: 155 total cpu time spent up to now is 577.4 secs Computing kpt #: 156 total cpu time spent up to now is 582.1 secs Computing kpt #: 157 total cpu time spent up to now is 585.3 secs Computing kpt #: 158 total cpu time spent up to now is 589.0 secs Computing kpt #: 159 total cpu time spent up to now is 592.8 secs Computing kpt #: 160 total cpu time spent up to now is 595.2 secs Computing kpt #: 161 total cpu time spent up to now is 597.5 secs Computing kpt #: 162 total cpu time spent up to now is 600.7 secs Computing kpt #: 163 total cpu time spent up to now is 603.3 secs Computing kpt #: 164 total cpu time spent up to now is 606.1 secs Computing kpt #: 165 total cpu time spent up to now is 608.5 secs Computing kpt #: 166 total cpu time spent up to now is 611.1 secs Computing kpt #: 167 total cpu time spent up to now is 613.5 secs Computing kpt #: 168 total cpu time spent up to now is 615.8 secs Computing kpt #: 169 total cpu time spent up to now is 618.4 secs Computing kpt #: 170 total cpu time spent up to now is 620.7 secs Computing kpt #: 171 total cpu time spent up to now is 623.0 secs Computing kpt #: 172 total cpu time spent up to now is 625.3 secs Computing kpt #: 173 total cpu time spent up to now is 628.2 secs Computing kpt #: 174 total cpu time spent up to now is 631.0 secs Computing kpt #: 175 total cpu time spent up to now is 635.6 secs Computing kpt #: 176 total cpu time spent up to now is 638.2 secs Computing kpt #: 177 total cpu time spent up to now is 640.9 secs Computing kpt #: 178 total cpu time spent up to now is 643.5 secs Computing kpt #: 179 total cpu time spent up to now is 646.5 secs Computing kpt #: 180 total cpu time spent up to now is 649.2 secs Computing kpt #: 181 total cpu time spent up to now is 651.9 secs Computing kpt #: 182 total cpu time spent up to now is 654.6 secs Computing kpt #: 183 total cpu time spent up to now is 657.9 secs Computing kpt #: 184 total cpu time spent up to now is 660.7 secs Computing kpt #: 185 total cpu time spent up to now is 663.5 secs Computing kpt #: 186 total cpu time spent up to now is 666.1 secs Computing kpt #: 187 total cpu time spent up to now is 668.7 secs Computing kpt #: 188 total cpu time spent up to now is 671.1 secs Computing kpt #: 189 total cpu time spent up to now is 673.6 secs Computing kpt #: 190 total cpu time spent up to now is 676.1 secs Computing kpt #: 191 total cpu time spent up to now is 678.5 secs Computing kpt #: 192 total cpu time spent up to now is 681.0 secs Computing kpt #: 193 total cpu time spent up to now is 683.6 secs Computing kpt #: 194 total cpu time spent up to now is 686.1 secs Computing kpt #: 195 total cpu time spent up to now is 688.6 secs Computing kpt #: 196 total cpu time spent up to now is 691.1 secs Computing kpt #: 197 total cpu time spent up to now is 693.7 secs Computing kpt #: 198 total cpu time spent up to now is 696.3 secs Computing kpt #: 199 total cpu time spent up to now is 698.9 secs Computing kpt #: 200 total cpu time spent up to now is 701.5 secs Computing kpt #: 201 total cpu time spent up to now is 704.1 secs Computing kpt #: 202 total cpu time spent up to now is 706.8 secs Computing kpt #: 203 total cpu time spent up to now is 709.3 secs Computing kpt #: 204 total cpu time spent up to now is 712.0 secs Computing kpt #: 205 total cpu time spent up to now is 714.7 secs Computing kpt #: 206 total cpu time spent up to now is 717.4 secs Computing kpt #: 207 total cpu time spent up to now is 720.2 secs Computing kpt #: 208 total cpu time spent up to now is 723.0 secs Computing kpt #: 209 total cpu time spent up to now is 725.8 secs Computing kpt #: 210 total cpu time spent up to now is 728.6 secs Computing kpt #: 211 total cpu time spent up to now is 731.4 secs Computing kpt #: 212 total cpu time spent up to now is 734.5 secs Computing kpt #: 213 total cpu time spent up to now is 737.3 secs Computing kpt #: 214 total cpu time spent up to now is 740.4 secs Computing kpt #: 215 total cpu time spent up to now is 743.4 secs Computing kpt #: 216 total cpu time spent up to now is 746.3 secs Computing kpt #: 217 total cpu time spent up to now is 749.3 secs Computing kpt #: 218 total cpu time spent up to now is 752.2 secs Computing kpt #: 219 total cpu time spent up to now is 755.1 secs Computing kpt #: 220 total cpu time spent up to now is 758.0 secs Computing kpt #: 221 total cpu time spent up to now is 761.2 secs Computing kpt #: 222 total cpu time spent up to now is 765.4 secs Computing kpt #: 223 total cpu time spent up to now is 768.4 secs Computing kpt #: 224 total cpu time spent up to now is 771.3 secs Computing kpt #: 225 total cpu time spent up to now is 774.3 secs Computing kpt #: 226 total cpu time spent up to now is 777.8 secs Computing kpt #: 227 total cpu time spent up to now is 781.0 secs Computing kpt #: 228 total cpu time spent up to now is 784.3 secs Computing kpt #: 229 total cpu time spent up to now is 787.5 secs Computing kpt #: 230 total cpu time spent up to now is 790.9 secs Computing kpt #: 231 total cpu time spent up to now is 794.3 secs Computing kpt #: 232 total cpu time spent up to now is 797.3 secs Computing kpt #: 233 total cpu time spent up to now is 800.3 secs Computing kpt #: 234 total cpu time spent up to now is 803.2 secs Computing kpt #: 235 total cpu time spent up to now is 806.2 secs Computing kpt #: 236 total cpu time spent up to now is 809.3 secs Computing kpt #: 237 total cpu time spent up to now is 812.9 secs Computing kpt #: 238 total cpu time spent up to now is 816.8 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 822.2 secs Computing kpt #: 240 total cpu time spent up to now is 825.7 secs Computing kpt #: 241 total cpu time spent up to now is 828.6 secs Computing kpt #: 242 total cpu time spent up to now is 831.8 secs Computing kpt #: 243 total cpu time spent up to now is 834.7 secs Computing kpt #: 244 total cpu time spent up to now is 837.7 secs Computing kpt #: 245 total cpu time spent up to now is 840.4 secs Computing kpt #: 246 total cpu time spent up to now is 843.4 secs Computing kpt #: 247 total cpu time spent up to now is 846.2 secs Computing kpt #: 248 total cpu time spent up to now is 849.0 secs Computing kpt #: 249 total cpu time spent up to now is 851.8 secs Computing kpt #: 250 total cpu time spent up to now is 855.0 secs Computing kpt #: 251 total cpu time spent up to now is 857.7 secs Computing kpt #: 252 total cpu time spent up to now is 860.6 secs Computing kpt #: 253 total cpu time spent up to now is 863.7 secs Computing kpt #: 254 total cpu time spent up to now is 866.9 secs Computing kpt #: 255 total cpu time spent up to now is 871.3 secs Computing kpt #: 256 total cpu time spent up to now is 875.1 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 880.6 secs Computing kpt #: 258 total cpu time spent up to now is 885.0 secs Computing kpt #: 259 total cpu time spent up to now is 888.7 secs Computing kpt #: 260 total cpu time spent up to now is 892.5 secs Computing kpt #: 261 total cpu time spent up to now is 895.2 secs Computing kpt #: 262 total cpu time spent up to now is 898.1 secs Computing kpt #: 263 total cpu time spent up to now is 900.6 secs Computing kpt #: 264 total cpu time spent up to now is 903.3 secs Computing kpt #: 265 total cpu time spent up to now is 905.7 secs Computing kpt #: 266 total cpu time spent up to now is 908.1 secs Computing kpt #: 267 total cpu time spent up to now is 910.6 secs Computing kpt #: 268 total cpu time spent up to now is 913.0 secs Computing kpt #: 269 total cpu time spent up to now is 915.6 secs Computing kpt #: 270 total cpu time spent up to now is 918.2 secs Computing kpt #: 271 total cpu time spent up to now is 921.2 secs Computing kpt #: 272 total cpu time spent up to now is 923.8 secs Computing kpt #: 273 total cpu time spent up to now is 926.4 secs Computing kpt #: 274 total cpu time spent up to now is 929.1 secs Computing kpt #: 275 total cpu time spent up to now is 931.7 secs Computing kpt #: 276 total cpu time spent up to now is 934.5 secs Computing kpt #: 277 total cpu time spent up to now is 937.0 secs Computing kpt #: 278 total cpu time spent up to now is 939.7 secs Computing kpt #: 279 total cpu time spent up to now is 942.6 secs Computing kpt #: 280 total cpu time spent up to now is 945.6 secs Computing kpt #: 281 total cpu time spent up to now is 948.4 secs Computing kpt #: 282 total cpu time spent up to now is 951.3 secs Computing kpt #: 283 total cpu time spent up to now is 954.4 secs Computing kpt #: 284 total cpu time spent up to now is 958.9 secs Computing kpt #: 285 total cpu time spent up to now is 962.5 secs Computing kpt #: 286 total cpu time spent up to now is 966.1 secs Computing kpt #: 287 total cpu time spent up to now is 970.8 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 975.7 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 981.0 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 986.0 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 991.2 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 996.8 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1002.1 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1007.4 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1012.6 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1017.8 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1023.4 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1028.5 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.6 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1038.8 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1044.1 secs Computing kpt #: 302 total cpu time spent up to now is 1047.5 secs Computing kpt #: 303 total cpu time spent up to now is 1049.7 secs Computing kpt #: 304 total cpu time spent up to now is 1051.9 secs Computing kpt #: 305 total cpu time spent up to now is 1055.1 secs Computing kpt #: 306 total cpu time spent up to now is 1057.8 secs Computing kpt #: 307 total cpu time spent up to now is 1060.8 secs Computing kpt #: 308 total cpu time spent up to now is 1063.7 secs Computing kpt #: 309 total cpu time spent up to now is 1066.6 secs Computing kpt #: 310 total cpu time spent up to now is 1069.9 secs Computing kpt #: 311 total cpu time spent up to now is 1072.6 secs Computing kpt #: 312 total cpu time spent up to now is 1075.2 secs Computing kpt #: 313 total cpu time spent up to now is 1078.2 secs Computing kpt #: 314 total cpu time spent up to now is 1080.7 secs Computing kpt #: 315 total cpu time spent up to now is 1083.2 secs Computing kpt #: 316 total cpu time spent up to now is 1085.9 secs Computing kpt #: 317 total cpu time spent up to now is 1088.3 secs Computing kpt #: 318 total cpu time spent up to now is 1090.9 secs Computing kpt #: 319 total cpu time spent up to now is 1093.3 secs Computing kpt #: 320 total cpu time spent up to now is 1095.9 secs Computing kpt #: 321 total cpu time spent up to now is 1098.6 secs Computing kpt #: 322 total cpu time spent up to now is 1101.3 secs Computing kpt #: 323 total cpu time spent up to now is 1104.3 secs Computing kpt #: 324 total cpu time spent up to now is 1107.3 secs Computing kpt #: 325 total cpu time spent up to now is 1110.6 secs Computing kpt #: 326 total cpu time spent up to now is 1114.3 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1119.5 secs Computing kpt #: 328 total cpu time spent up to now is 1123.9 secs Computing kpt #: 329 total cpu time spent up to now is 1127.6 secs Computing kpt #: 330 total cpu time spent up to now is 1130.9 secs Computing kpt #: 331 total cpu time spent up to now is 1134.1 secs Computing kpt #: 332 total cpu time spent up to now is 1137.2 secs Computing kpt #: 333 total cpu time spent up to now is 1140.2 secs Computing kpt #: 334 total cpu time spent up to now is 1143.9 secs Computing kpt #: 335 total cpu time spent up to now is 1146.9 secs Computing kpt #: 336 total cpu time spent up to now is 1150.1 secs Computing kpt #: 337 total cpu time spent up to now is 1153.3 secs Computing kpt #: 338 total cpu time spent up to now is 1155.6 secs Computing kpt #: 339 total cpu time spent up to now is 1158.9 secs Computing kpt #: 340 total cpu time spent up to now is 1162.2 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1167.4 secs Computing kpt #: 342 total cpu time spent up to now is 1172.4 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1177.7 secs Computing kpt #: 344 total cpu time spent up to now is 1181.2 secs Computing kpt #: 345 total cpu time spent up to now is 1184.6 secs Computing kpt #: 346 total cpu time spent up to now is 1188.4 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1193.2 secs Computing kpt #: 348 total cpu time spent up to now is 1196.8 secs Computing kpt #: 349 total cpu time spent up to now is 1200.1 secs Computing kpt #: 350 total cpu time spent up to now is 1203.5 secs Computing kpt #: 351 total cpu time spent up to now is 1207.0 secs Computing kpt #: 352 total cpu time spent up to now is 1210.4 secs Computing kpt #: 353 total cpu time spent up to now is 1213.9 secs Computing kpt #: 354 total cpu time spent up to now is 1217.2 secs Computing kpt #: 355 total cpu time spent up to now is 1220.6 secs Computing kpt #: 356 total cpu time spent up to now is 1224.2 secs Computing kpt #: 357 total cpu time spent up to now is 1228.0 secs Computing kpt #: 358 total cpu time spent up to now is 1231.2 secs Computing kpt #: 359 total cpu time spent up to now is 1234.9 secs Computing kpt #: 360 total cpu time spent up to now is 1238.1 secs Computing kpt #: 361 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1243.3 secs Computing kpt #: 362 total cpu time spent up to now is 1248.0 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1253.1 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1258.3 secs Computing kpt #: 365 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1263.6 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1268.8 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1273.9 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1278.9 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1283.9 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1289.0 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1294.2 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1299.3 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1304.7 secs Computing kpt #: 374 total cpu time spent up to now is 1306.9 secs ethr = 2.08E-11, avg # of iterations = 57.8 total cpu time spent up to now is 1307.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.6505 -13.6505 -13.0586 -13.0586 -10.8798 -10.8798 -9.1614 -9.1614 -9.1266 -9.1266 -9.0119 -9.0119 -3.6511 -3.6511 -3.2580 -3.2580 -2.8948 -2.8948 -0.8959 -0.8959 -0.1381 -0.1381 -0.1027 -0.1027 0.3488 0.3488 0.9203 0.9203 1.4198 1.4198 2.2872 2.2872 2.8239 2.8239 3.2651 3.2651 3.4476 3.4476 3.6613 3.6613 3.9001 3.9001 4.2964 4.2964 4.5519 4.5519 5.4368 5.4368 10.6440 10.6440 11.8985 11.8985 12.1153 12.1153 13.0592 13.0592 13.4559 13.4559 k = 0.0086 0.0140-0.0000 ( 4325 PWs) bands (ev): -13.6501 -13.6501 -13.0586 -13.0586 -10.8792 -10.8792 -9.2036 -9.1991 -9.0911 -9.0861 -9.0116 -9.0113 -3.6540 -3.6540 -3.2526 -3.2521 -2.8939 -2.8937 -0.8959 -0.8954 -0.1394 -0.1390 -0.1032 -0.1030 0.3430 0.3448 0.9270 0.9293 1.4182 1.4189 2.2851 2.2860 2.8234 2.8242 3.2632 3.2640 3.4477 3.4478 3.6583 3.6588 3.8995 3.8999 4.2966 4.2967 4.5514 4.5517 5.4360 5.4363 10.6471 10.6471 11.9010 11.9012 12.1158 12.1160 13.0586 13.0593 13.4555 13.4571 k = 0.0173 0.0279-0.0000 ( 4329 PWs) bands (ev): -13.6491 -13.6491 -13.0587 -13.0587 -10.8775 -10.8775 -9.2587 -9.2543 -9.0422 -9.0366 -9.0103 -9.0098 -3.6621 -3.6620 -3.2364 -3.2354 -2.8911 -2.8907 -0.8955 -0.8945 -0.1431 -0.1423 -0.1045 -0.1041 0.3287 0.3319 0.9485 0.9529 1.4142 1.4156 2.2796 2.2813 2.8226 2.8242 3.2582 3.2599 3.4483 3.4483 3.6499 3.6509 3.8980 3.8989 4.2974 4.2976 4.5499 4.5505 5.4341 5.4347 10.6562 10.6562 11.9088 11.9092 12.1174 12.1179 13.0576 13.0590 13.4557 13.4589 k = 0.0259 0.0419-0.0000 ( 4323 PWs) bands (ev): -13.6474 -13.6473 -13.0588 -13.0588 -10.8746 -10.8745 -9.3163 -9.3121 -9.0088 -9.0075 -8.9941 -8.9887 -3.6739 -3.6739 -3.2108 -3.2094 -2.8863 -2.8857 -0.8949 -0.8932 -0.1492 -0.1480 -0.1068 -0.1061 0.3085 0.3127 0.9824 0.9885 1.4077 1.4098 2.2707 2.2733 2.8215 2.8238 3.2505 3.2531 3.4492 3.4493 3.6361 3.6375 3.8957 3.8970 4.2986 4.2989 4.5476 4.5484 5.4310 5.4320 10.6714 10.6714 11.9217 11.9222 12.1202 12.1210 13.0562 13.0583 13.4556 13.4605 k = 0.0346 0.0558-0.0000 ( 4323 PWs) bands (ev): -13.6449 -13.6449 -13.0590 -13.0590 -10.8705 -10.8705 -9.3755 -9.3715 -9.0057 -9.0043 -8.9490 -8.9431 -3.6879 -3.6878 -3.1776 -3.1759 -2.8796 -2.8788 -0.8942 -0.8920 -0.1576 -0.1560 -0.1103 -0.1094 0.2857 0.2906 1.0260 1.0333 1.3988 1.4015 2.2585 2.2618 2.8198 2.8231 3.2404 3.2439 3.4506 3.4507 3.6171 3.6189 3.8926 3.8943 4.3004 4.3008 4.5442 4.5453 5.4269 5.4282 10.6924 10.6924 11.9394 11.9402 12.1241 12.1251 13.0547 13.0574 13.4541 13.4604 k = 0.0432 0.0698-0.0000 ( 4319 PWs) bands (ev): -13.6419 -13.6418 -13.0593 -13.0593 -10.8653 -10.8652 -9.4360 -9.4323 -9.0020 -9.0003 -8.9063 -8.9000 -3.7026 -3.7023 -3.1383 -3.1364 -2.8710 -2.8699 -0.8938 -0.8910 -0.1684 -0.1664 -0.1152 -0.1140 0.2635 0.2685 1.0766 1.0849 1.3874 1.3908 2.2428 2.2469 2.8177 2.8218 3.2284 3.2327 3.4523 3.4525 3.5929 3.5951 3.8887 3.8908 4.3028 4.3033 4.5397 4.5409 5.4217 5.4234 10.7191 10.7192 11.9618 11.9628 12.1289 12.1303 13.0534 13.0566 13.4494 13.4570 k = 0.0519 0.0838-0.0000 ( 4317 PWs) bands (ev): -13.6381 -13.6381 -13.0596 -13.0596 -10.8588 -10.8588 -9.4977 -9.4942 -8.9974 -8.9955 -8.8662 -8.8597 -3.7167 -3.7163 -3.0943 -3.0922 -2.8604 -2.8591 -0.8942 -0.8908 -0.1816 -0.1792 -0.1215 -0.1200 0.2440 0.2491 1.1323 1.1413 1.3734 1.3774 2.2238 2.2286 2.8148 2.8199 3.2149 3.2201 3.4545 3.4547 3.5638 3.5663 3.8840 3.8864 4.3057 4.3062 4.5339 4.5353 5.4157 5.4178 10.7513 10.7514 11.9885 11.9897 12.1347 12.1363 13.0525 13.0562 13.4399 13.4485 k = 0.0605 0.0977-0.0000 ( 4319 PWs) bands (ev): -13.6337 -13.6337 -13.0600 -13.0600 -10.8512 -10.8512 -9.5603 -9.5570 -8.9920 -8.9898 -8.8290 -8.8222 -3.7294 -3.7288 -3.0466 -3.0442 -2.8478 -2.8464 -0.8959 -0.8918 -0.1973 -0.1945 -0.1290 -0.1272 0.2291 0.2340 1.1915 1.2011 1.3569 1.3615 2.2014 2.2068 2.8111 2.8173 3.2005 3.2066 3.4570 3.4573 3.5301 3.5328 3.8785 3.8813 4.3091 4.3098 4.5265 4.5282 5.4090 5.4113 10.7888 10.7889 12.0192 12.0206 12.1412 12.1431 13.0525 13.0565 13.4249 13.4341 k = 0.0692 0.1117-0.0000 ( 4319 PWs) bands (ev): -13.6287 -13.6287 -13.0604 -13.0604 -10.8425 -10.8424 -9.6237 -9.6206 -8.9858 -8.9833 -8.7948 -8.7878 -3.7401 -3.7394 -2.9958 -2.9933 -2.8334 -2.8317 -0.8994 -0.8947 -0.2155 -0.2123 -0.1370 -0.1350 0.2197 0.2244 1.2531 1.2631 1.3378 1.3430 2.1756 2.1816 2.8065 2.8137 3.1858 3.1929 3.4594 3.4601 3.4928 3.4954 3.8723 3.8753 4.3131 4.3139 4.5176 4.5194 5.4015 5.4042 10.8313 10.8314 12.0533 12.0550 12.1483 12.1505 13.0536 13.0580 13.4046 13.4140 k = 0.0778 0.1257-0.0000 ( 4307 PWs) bands (ev): -13.6231 -13.6230 -13.0609 -13.0609 -10.8325 -10.8324 -9.6877 -9.6848 -8.9789 -8.9761 -8.7637 -8.7564 -3.7485 -3.7476 -2.9426 -2.9399 -2.8170 -2.8151 -0.9054 -0.9000 -0.2363 -0.2327 -0.1445 -0.1424 0.2162 0.2206 1.3150 1.3161 1.3221 1.3277 2.1466 2.1531 2.8007 2.8090 3.1714 3.1793 3.4459 3.4498 3.4677 3.4681 3.8652 3.8686 4.3177 4.3186 4.5068 4.5087 5.3934 5.3965 10.8783 10.8786 12.0907 12.0927 12.1559 12.1584 13.0563 13.0609 13.3800 13.3895 k = 0.0865 0.1396-0.0000 ( 4313 PWs) bands (ev): -13.6168 -13.6168 -13.0614 -13.0614 -10.8213 -10.8212 -9.7522 -9.7495 -8.9712 -8.9680 -8.7357 -8.7282 -3.7543 -3.7532 -2.8875 -2.8847 -2.7987 -2.7967 -0.9144 -0.9083 -0.2596 -0.2556 -0.1503 -0.1482 0.2184 0.2226 1.2912 1.2977 1.3807 1.3915 2.1144 2.1214 2.7938 2.8031 3.1577 3.1664 3.4022 3.4062 3.4705 3.4706 3.8574 3.8610 4.3229 4.3238 4.4940 4.4961 5.3848 5.3882 10.9297 10.9300 12.1308 12.1331 12.1637 12.1665 13.0610 13.0658 13.3526 13.3620 k = 0.0951 0.1536-0.0000 ( 4315 PWs) bands (ev): -13.6100 -13.6100 -13.0620 -13.0620 -10.8089 -10.8088 -9.8169 -9.8144 -8.9627 -8.9593 -8.7108 -8.7032 -3.7573 -3.7561 -2.8309 -2.8279 -2.7786 -2.7763 -0.9267 -0.9200 -0.2856 -0.2812 -0.1531 -0.1511 0.2260 0.2301 1.2640 1.2709 1.4453 1.4564 2.0793 2.0867 2.7856 2.7960 3.1449 3.1543 3.3540 3.3580 3.4756 3.4756 3.8488 3.8527 4.3288 4.3297 4.4792 4.4813 5.3757 5.3794 10.9850 10.9854 12.1709 12.1740 12.1745 12.1762 13.0680 13.0729 13.3236 13.3329 k = 0.1038 0.1675-0.0000 ( 4317 PWs) bands (ev): -13.6027 -13.6026 -13.0627 -13.0627 -10.7953 -10.7952 -9.8818 -9.8795 -8.9536 -8.9499 -8.6892 -8.6814 -3.7576 -3.7562 -2.7730 -2.7700 -2.7565 -2.7540 -0.9427 -0.9353 -0.3142 -0.3095 -0.1521 -0.1502 0.2386 0.2426 1.2338 1.2412 1.5100 1.5212 2.0413 2.0491 2.7762 2.7876 3.1331 3.1430 3.3033 3.3076 3.4817 3.4817 3.8395 3.8437 4.3352 4.3363 4.4622 4.4644 5.3661 5.3702 11.0439 11.0443 12.1790 12.1826 12.2184 12.2213 13.0777 13.0825 13.2940 13.3030 k = 0.1124 0.1815-0.0000 ( 4321 PWs) bands (ev): -13.5948 -13.5948 -13.0634 -13.0634 -10.7805 -10.7804 -9.9468 -9.9446 -8.9438 -8.9398 -8.6708 -8.6628 -3.7551 -3.7536 -2.7326 -2.7300 -2.7143 -2.7111 -0.9620 -0.9542 -0.3456 -0.3404 -0.1467 -0.1448 0.2557 0.2596 1.2006 1.2085 1.5743 1.5857 2.0009 2.0090 2.7657 2.7779 3.1217 3.1319 3.2516 3.2563 3.4887 3.4887 3.8295 3.8339 4.3423 4.3434 4.4431 4.4453 5.3560 5.3604 11.1059 11.1064 12.1862 12.1901 12.2654 12.2685 13.0902 13.0949 13.2644 13.2732 k = 0.1211 0.1955-0.0000 ( 4321 PWs) bands (ev): -13.5865 -13.5864 -13.0641 -13.0641 -10.7644 -10.7643 -10.0116 -10.0096 -8.9334 -8.9291 -8.6555 -8.6474 -3.7499 -3.7483 -2.7068 -2.7039 -2.6549 -2.6517 -0.9846 -0.9763 -0.3797 -0.3742 -0.1364 -0.1347 0.2770 0.2810 1.1645 1.1727 1.6380 1.6495 1.9582 1.9666 2.7541 2.7671 3.1089 3.1188 3.2014 3.2069 3.4967 3.4967 3.8188 3.8234 4.3501 4.3513 4.4217 4.4240 5.3453 5.3500 11.1707 11.1713 12.1928 12.1971 12.3142 12.3177 13.1056 13.1100 13.2355 13.2440 k = 0.1297 0.2094-0.0000 ( 4321 PWs) bands (ev): -13.5777 -13.5776 -13.0649 -13.0649 -10.7472 -10.7470 -10.0763 -10.0744 -8.9223 -8.9178 -8.6432 -8.6350 -3.7422 -3.7405 -2.6792 -2.6761 -2.5952 -2.5920 -1.0098 -1.0012 -0.4166 -0.4107 -0.1216 -0.1199 0.3023 0.3065 1.1252 1.1337 1.7007 1.7124 1.9137 1.9223 2.7416 2.7553 3.0884 3.0965 3.1594 3.1671 3.5058 3.5058 3.8074 3.8123 4.3586 4.3598 4.3983 4.4006 5.3340 5.3389 11.2378 11.2385 12.1986 12.2033 12.3650 12.3687 13.1238 13.1276 13.2079 13.2159 k = 0.1384 0.2234-0.0000 ( 4317 PWs) bands (ev): -13.5685 -13.5684 -13.0657 -13.0657 -10.7286 -10.7284 -10.1405 -10.1388 -8.9108 -8.9059 -8.6340 -8.6257 -3.7322 -3.7304 -2.6497 -2.6465 -2.5353 -2.5321 -1.0371 -1.0282 -0.4563 -0.4500 -0.1024 -0.1008 0.3315 0.3358 1.0826 1.0915 1.7623 1.7740 1.8676 1.8765 2.7283 2.7425 3.0509 3.0568 3.1353 3.1454 3.5161 3.5161 3.7954 3.8005 4.3677 4.3690 4.3728 4.3752 5.3219 5.3272 11.3068 11.3077 12.2035 12.2086 12.4177 12.4218 13.1430 13.1445 13.1849 13.1907 k = 0.1470 0.2374-0.0000 ( 4321 PWs) bands (ev): -13.5589 -13.5588 -13.0666 -13.0665 -10.7088 -10.7086 -10.2044 -10.2028 -8.8988 -8.8936 -8.6277 -8.6193 -3.7201 -3.7183 -2.6185 -2.6150 -2.4755 -2.4722 -1.0657 -1.0566 -0.4987 -0.4921 -0.0793 -0.0777 0.3645 0.3690 1.0368 1.0460 1.8198 1.8232 1.8294 1.8345 2.7143 2.7289 3.0009 3.0061 3.1249 3.1360 3.5276 3.5276 3.7828 3.7881 4.3453 4.3476 4.3777 4.3791 5.3091 5.3146 11.3774 11.3784 12.2073 12.2129 12.4725 12.4769 13.1416 13.1481 13.1835 13.1857 k = 0.1557 0.2513-0.0000 ( 4315 PWs) bands (ev): -13.5489 -13.5488 -13.0674 -13.0674 -10.6877 -10.6875 -10.2677 -10.2662 -8.8863 -8.8809 -8.6241 -8.6157 -3.7062 -3.7043 -2.5855 -2.5818 -2.4159 -2.4127 -1.0950 -1.0857 -0.5438 -0.5369 -0.0530 -0.0514 0.4011 0.4058 0.9876 0.9970 1.7726 1.7820 1.8811 1.8931 2.6996 2.7144 2.9470 2.9520 3.1202 3.1315 3.5405 3.5405 3.7697 3.7751 4.3161 4.3184 4.3884 4.3898 5.2954 5.3011 11.4491 11.4503 12.2100 12.2160 12.5296 12.5342 13.1195 13.1276 13.2056 13.2092 k = 0.1643 0.2653-0.0000 ( 4315 PWs) bands (ev): -13.5386 -13.5385 -13.0684 -13.0683 -10.6654 -10.6651 -10.3303 -10.3290 -8.8734 -8.8678 -8.6232 -8.6147 -3.6908 -3.6889 -2.5507 -2.5469 -2.3568 -2.3536 -1.1243 -1.1149 -0.5915 -0.5843 -0.0238 -0.0222 0.4414 0.4464 0.9350 0.9446 1.7244 1.7340 1.9380 1.9501 2.6842 2.6991 2.8927 2.8975 3.1179 3.1293 3.5548 3.5549 3.7560 3.7617 4.2852 4.2875 4.3999 4.4013 5.2807 5.2867 11.5216 11.5229 12.2116 12.2181 12.5891 12.5940 13.0953 13.1033 13.2349 13.2383 k = 0.1729 0.2792-0.0000 ( 4315 PWs) bands (ev): -13.5281 -13.5280 -13.0693 -13.0693 -10.6418 -10.6414 -10.3922 -10.3910 -8.8603 -8.8544 -8.6247 -8.6162 -3.6741 -3.6722 -2.5142 -2.5102 -2.2983 -2.2952 -1.1530 -1.1436 -0.6418 -0.6343 0.0075 0.0093 0.4853 0.4905 0.8788 0.8886 1.6762 1.6860 1.9931 2.0052 2.6676 2.6825 2.8396 2.8444 3.1171 3.1283 3.5707 3.5707 3.7420 3.7479 4.2528 4.2552 4.4122 4.4136 5.2649 5.2711 11.5945 11.5960 12.2121 12.2190 12.6513 12.6564 13.0713 13.0790 13.2673 13.2703 k = 0.1816 0.2932-0.0000 ( 4323 PWs) bands (ev): -13.5173 -13.5172 -13.0703 -13.0702 -10.6169 -10.6165 -10.4533 -10.4522 -8.8469 -8.8408 -8.6286 -8.6201 -3.6565 -3.6547 -2.4761 -2.4719 -2.2407 -2.2377 -1.1805 -1.1710 -0.6945 -0.6867 0.0407 0.0426 0.5326 0.5381 0.8192 0.8291 1.6284 1.6384 2.0462 2.0584 2.6494 2.6638 2.7896 2.7940 3.1170 3.1281 3.5881 3.5882 3.7276 3.7336 4.2191 4.2215 4.4252 4.4268 5.2481 5.2545 11.6675 11.6692 12.2116 12.2190 12.7162 12.7216 13.0479 13.0553 13.3016 13.3041 k = 0.1902 0.3072-0.0000 ( 4325 PWs) bands (ev): -13.5063 -13.5062 -13.0712 -13.0712 -10.5907 -10.5903 -10.5135 -10.5125 -8.8334 -8.8270 -8.6346 -8.6261 -3.6384 -3.6366 -2.4363 -2.4319 -2.1841 -2.1811 -1.2063 -1.1969 -0.7494 -0.7414 0.0753 0.0772 0.5833 0.5891 0.7561 0.7661 1.5812 1.5913 2.0973 2.1095 2.6281 2.6411 2.7448 2.7480 3.1174 3.1282 3.6071 3.6073 3.7130 3.7191 4.1843 4.1866 4.4391 4.4407 5.2301 5.2367 11.7404 11.7423 12.2103 12.2181 12.7840 12.7896 13.0252 13.0322 13.3372 13.3394 k = 0.1989 0.3211-0.0000 ( 4325 PWs) bands (ev): -13.4952 -13.4951 -13.0722 -13.0722 -10.5729 -10.5719 -10.5631 -10.5627 -8.8197 -8.8131 -8.6425 -8.6341 -3.6201 -3.6183 -2.3949 -2.3903 -2.1286 -2.1258 -1.2299 -1.2205 -0.8062 -0.7980 0.1108 0.1129 0.6372 0.6433 0.6896 0.6996 1.5348 1.5451 2.1464 2.1586 2.6019 2.6123 2.7080 2.7088 3.1179 3.1284 3.6278 3.6281 3.6983 3.7045 4.1484 4.1508 4.4539 4.4555 5.2109 5.2177 11.8129 11.8150 12.2082 12.2165 12.8544 12.8605 13.0035 13.0099 13.3736 13.3754 k = 0.2075 0.3351-0.0000 ( 4329 PWs) bands (ev): -13.4840 -13.4838 -13.0732 -13.0732 -10.6309 -10.6301 -10.5345 -10.5340 -8.8061 -8.7993 -8.6522 -8.6439 -3.6019 -3.6002 -2.3519 -2.3472 -2.0746 -2.0719 -1.2510 -1.2417 -0.8649 -0.8565 0.1471 0.1493 0.6198 0.6298 0.6941 0.7005 1.4895 1.5000 2.1934 2.2056 2.5694 2.5765 2.6779 2.6801 3.1183 3.1284 3.6499 3.6505 3.6839 3.6900 4.1118 4.1141 4.4695 4.4712 5.1905 5.1975 11.8847 11.8870 12.2055 12.2143 12.9257 12.9332 12.9842 12.9892 13.4103 13.4117 k = 0.2162 0.3491-0.0000 ( 4329 PWs) bands (ev): -13.4726 -13.4725 -13.0742 -13.0742 -10.6880 -10.6873 -10.5044 -10.5039 -8.7925 -8.7855 -8.6636 -8.6554 -3.5842 -3.5825 -2.3075 -2.3026 -2.0220 -2.0195 -1.2691 -1.2598 -0.9250 -0.9164 0.1838 0.1861 0.5469 0.5567 0.7538 0.7605 1.4453 1.4559 2.2383 2.2506 2.5318 2.5361 2.6544 2.6591 3.1183 3.1280 3.6644 3.6697 3.6789 3.6804 4.0745 4.0769 4.4859 4.4877 5.1690 5.1761 11.9558 11.9583 12.2025 12.2117 12.9551 12.9638 13.0102 13.0138 13.4466 13.4477 k = 0.2248 0.3630-0.0000 ( 4329 PWs) bands (ev): -13.4613 -13.4612 -13.0751 -13.0751 -10.7439 -10.7432 -10.4731 -10.4725 -8.7792 -8.7719 -8.6763 -8.6682 -3.5672 -3.5655 -2.2617 -2.2567 -1.9712 -1.9688 -1.2840 -1.2748 -0.9863 -0.9775 0.2207 0.2232 0.4709 0.4807 0.8160 0.8229 1.4024 1.4131 2.2813 2.2936 2.4915 2.4939 2.6361 2.6423 3.1178 3.1269 3.6523 3.6591 3.7025 3.7027 4.0368 4.0391 4.5032 4.5050 5.1464 5.1536 12.0259 12.0286 12.1993 12.2090 12.9372 12.9444 13.0862 13.0913 13.4821 13.4830 k = 0.2335 0.3770-0.0000 ( 4325 PWs) bands (ev): -13.4500 -13.4499 -13.0761 -13.0761 -10.7985 -10.7980 -10.4406 -10.4399 -8.7661 -8.7587 -8.6903 -8.6824 -3.5512 -3.5496 -2.2147 -2.2095 -1.9223 -1.9201 -1.2953 -1.2861 -1.0483 -1.0394 0.2577 0.2604 0.3922 0.4018 0.8804 0.8876 1.3606 1.3714 2.3223 2.3347 2.4506 2.4518 2.6211 2.6279 3.1164 3.1250 3.6383 3.6450 3.7301 3.7305 3.9989 4.0012 4.5214 4.5232 5.1227 5.1300 12.0948 12.0977 12.1960 12.2062 12.9177 12.9244 13.1662 13.1717 13.5057 13.5156 k = 0.2421 0.3909-0.0000 ( 4317 PWs) bands (ev): -13.4387 -13.4386 -13.0770 -13.0770 -10.8519 -10.8514 -10.4067 -10.4060 -8.7534 -8.7458 -8.7054 -8.6976 -3.5364 -3.5349 -2.1664 -2.1612 -1.8754 -1.8734 -1.3027 -1.2937 -1.1106 -1.1016 0.2944 0.2973 0.3111 0.3205 0.9466 0.9541 1.3200 1.3308 2.3616 2.3740 2.4101 2.4107 2.6081 2.6151 3.1139 3.1219 3.6245 3.6311 3.7598 3.7603 3.9608 3.9631 4.5403 4.5422 5.0979 5.1053 12.1622 12.1654 12.1929 12.2035 12.8986 12.9050 13.2476 13.2534 13.4470 13.4551 k = 0.2508 0.4049-0.0000 ( 4321 PWs) bands (ev): -13.4275 -13.4274 -13.0779 -13.0779 -10.9039 -10.9035 -10.3717 -10.3709 -8.7412 -8.7334 -8.7214 -8.7137 -3.5232 -3.5217 -2.1173 -2.1119 -1.8308 -1.8290 -1.3062 -1.2973 -1.1728 -1.1637 0.2275 0.2368 0.3310 0.3340 1.0144 1.0221 1.2804 1.2913 2.3709 2.3710 2.3993 2.4117 2.5966 2.6035 3.1102 3.1175 3.6113 3.6178 3.7912 3.7918 3.9229 3.9251 4.5600 4.5620 5.0723 5.0797 12.1898 12.2008 12.2280 12.2314 12.8802 12.8864 13.3292 13.3352 13.3805 13.3879 k = 0.2594 0.4189-0.0000 ( 4317 PWs) bands (ev): -13.4165 -13.4164 -13.0787 -13.0787 -10.9545 -10.9542 -10.3354 -10.3345 -8.7381 -8.7307 -8.7296 -8.7217 -3.5115 -3.5101 -2.0675 -2.0620 -1.7886 -1.7869 -1.3056 -1.2968 -1.2342 -1.2250 0.1421 0.1512 0.3669 0.3701 1.0833 1.0913 1.2417 1.2528 2.3330 2.3332 2.4356 2.4479 2.5862 2.5928 3.1050 3.1114 3.5990 3.6053 3.8243 3.8251 3.8853 3.8874 4.5805 4.5826 5.0457 5.0532 12.1872 12.1986 12.2912 12.2949 12.8632 12.8692 13.3099 13.3168 13.4094 13.4157 k = 0.2681 0.4328-0.0000 ( 4319 PWs) bands (ev): -13.4056 -13.4055 -13.0795 -13.0795 -11.0037 -11.0034 -10.2979 -10.2970 -8.7555 -8.7482 -8.7187 -8.7107 -3.5016 -3.5002 -2.0175 -2.0120 -1.7488 -1.7473 -1.3024 -1.2925 -1.2922 -1.2848 0.0551 0.0639 0.4022 0.4056 1.1531 1.1613 1.2038 1.2150 2.2968 2.2972 2.4705 2.4829 2.5768 2.5829 3.0981 3.1036 3.5876 3.5936 3.8477 3.8498 3.8595 3.8603 4.6017 4.6038 5.0185 5.0260 12.1849 12.1967 12.3512 12.3552 12.8483 12.8542 13.2374 13.2439 13.4850 13.4914 k = 0.2767 0.4468-0.0000 ( 4319 PWs) bands (ev): -13.3950 -13.3948 -13.0802 -13.0802 -11.0514 -11.0512 -10.2593 -10.2583 -8.7733 -8.7662 -8.7087 -8.7005 -3.4935 -3.4921 -1.9679 -1.9625 -1.7115 -1.7102 -1.3520 -1.3421 -1.2915 -1.2835 -0.0333 -0.0247 0.4366 0.4401 1.1665 1.1775 1.2235 1.2317 2.2626 2.2630 2.5044 2.5167 2.5683 2.5738 3.0894 3.0939 3.5773 3.5830 3.8114 3.8134 3.8955 3.8965 4.6236 4.6258 4.9906 4.9981 12.1829 12.1951 12.4064 12.4108 12.8369 12.8427 13.1642 13.1703 13.5509 13.5571 k = 0.2854 0.4608-0.0000 ( 4319 PWs) bands (ev): -13.3846 -13.3844 -13.0808 -13.0808 -11.0976 -11.0974 -10.2195 -10.2184 -8.7914 -8.7845 -8.6997 -8.6914 -3.4871 -3.4859 -1.9201 -1.9148 -1.6766 -1.6755 -1.4053 -1.3953 -1.2788 -1.2710 -0.1227 -0.1144 0.4699 0.4736 1.1296 1.1408 1.2937 1.3022 2.2302 2.2307 2.5373 2.5496 2.5607 2.5654 3.0786 3.0820 3.5683 3.5736 3.7756 3.7775 3.9332 3.9344 4.6461 4.6484 4.9622 4.9697 12.1812 12.1937 12.4548 12.4594 12.8312 12.8369 13.0914 13.0971 13.6008 13.6060 k = 0.2940 0.4747-0.0000 ( 4323 PWs) bands (ev): -13.3744 -13.3743 -13.0814 -13.0814 -11.1423 -11.1420 -10.1787 -10.1775 -8.8097 -8.8030 -8.6917 -8.6834 -3.4826 -3.4814 -1.8763 -1.8711 -1.6441 -1.6430 -1.4520 -1.4417 -1.2626 -1.2550 -0.2129 -0.2049 0.5021 0.5059 1.0928 1.1041 1.3637 1.3723 2.1998 2.2002 2.5529 2.5572 2.5703 2.5822 3.0659 3.0681 3.5605 3.5654 3.7408 3.7426 3.9723 3.9737 4.6691 4.6715 4.9334 4.9409 12.1796 12.1923 12.4933 12.4978 12.8343 12.8396 13.0201 13.0254 13.6345 13.6386 k = 0.3027 0.4887-0.0000 ( 4319 PWs) bands (ev): -13.3646 -13.3645 -13.0819 -13.0819 -11.1853 -11.1851 -10.1368 -10.1355 -8.8280 -8.8216 -8.6850 -8.6766 -3.4799 -3.4787 -1.8404 -1.8356 -1.6136 -1.6126 -1.4877 -1.4771 -1.2432 -1.2359 -0.3036 -0.2958 0.5328 0.5368 1.0560 1.0673 1.4330 1.4418 2.1713 2.1717 2.5468 2.5499 2.6020 2.6139 3.0511 3.0520 3.5541 3.5585 3.7072 3.7089 4.0128 4.0143 4.6926 4.6950 4.9043 4.9118 12.1779 12.1907 12.5190 12.5231 12.8492 12.8538 12.9512 12.9561 13.6579 13.6612 k = 0.3113 0.5026-0.0000 ( 4323 PWs) bands (ev): -13.3552 -13.3551 -13.0823 -13.0823 -11.2267 -11.2265 -10.0939 -10.0924 -8.8463 -8.8401 -8.6797 -8.6712 -3.4787 -3.4776 -1.8190 -1.8144 -1.5849 -1.5840 -1.5058 -1.4951 -1.2212 -1.2142 -0.3944 -0.3869 0.5620 0.5660 1.0189 1.0303 1.5013 1.5102 2.1448 2.1451 2.5410 2.5432 2.6334 2.6453 3.0340 3.0343 3.5490 3.5529 3.6747 3.6763 4.0544 4.0561 4.7164 4.7190 4.8752 4.8825 12.1757 12.1885 12.5308 12.5343 12.8767 12.8795 12.8867 12.8902 13.6753 13.6780 k = 0.3200 0.5166-0.0000 ( 4315 PWs) bands (ev): -13.3461 -13.3460 -13.0826 -13.0826 -11.2664 -11.2663 -10.0500 -10.0485 -8.8645 -8.8585 -8.6758 -8.6673 -3.4791 -3.4780 -1.8173 -1.8127 -1.5578 -1.5569 -1.5007 -1.4899 -1.1971 -1.1905 -0.4851 -0.4779 0.5895 0.5936 0.9813 0.9928 1.5683 1.5772 2.1201 2.1204 2.5358 2.5369 2.6647 2.6764 3.0141 3.0158 3.5452 3.5485 3.6436 3.6451 4.0971 4.0990 4.7404 4.7431 4.8460 4.8532 12.1725 12.1851 12.5304 12.5332 12.8243 12.8282 12.9154 12.9184 13.6890 13.6913 k = 0.3286 0.5306-0.0000 ( 4323 PWs) bands (ev): -13.3375 -13.3374 -13.0828 -13.0828 -11.3045 -11.3044 -10.0053 -10.0036 -8.8823 -8.8766 -8.6736 -8.6650 -3.4808 -3.4797 -1.8340 -1.8292 -1.5319 -1.5310 -1.4735 -1.4629 -1.1714 -1.1651 -0.5754 -0.5686 0.6151 0.6193 0.9431 0.9547 1.6335 1.6424 2.0974 2.0975 2.5311 2.5311 2.6959 2.7074 2.9926 2.9956 3.5424 3.5452 3.6139 3.6154 4.1408 4.1429 4.7646 4.7674 4.8170 4.8241 12.1677 12.1799 12.5212 12.5233 12.7686 12.7717 12.9614 12.9635 13.6814 13.6914 k = 0.3373 0.5445-0.0000 ( 4324 PWs) bands (ev): -13.3292 -13.3291 -13.0829 -13.0829 -11.3408 -11.3408 -9.9597 -9.9579 -8.8998 -8.8944 -8.6730 -8.6645 -3.4838 -3.4827 -1.8622 -1.8571 -1.5070 -1.5063 -1.4310 -1.4206 -1.1445 -1.1386 -0.6651 -0.6586 0.6388 0.6431 0.9039 0.9156 1.6967 1.7056 2.0766 2.0766 2.5257 2.5267 2.7270 2.7382 2.9697 2.9741 3.5404 3.5426 3.5859 3.5875 4.1854 4.1876 4.7881 4.7889 4.7913 4.7956 12.1605 12.1719 12.5061 12.5078 12.7196 12.7216 13.0120 13.0135 13.5886 13.5986 k = 0.3459 0.5585-0.0000 ( 4320 PWs) bands (ev): -13.3214 -13.3213 -13.0828 -13.0828 -11.3754 -11.3754 -9.9134 -9.9115 -8.9169 -8.9117 -8.6743 -8.6658 -3.4878 -3.4867 -1.8953 -1.8902 -1.4832 -1.4826 -1.3792 -1.3689 -1.1170 -1.1115 -0.7539 -0.7477 0.6605 0.6648 0.8637 0.8755 1.7576 1.7664 2.0575 2.0576 2.5205 2.5228 2.7580 2.7690 2.9459 2.9516 3.5384 3.5396 3.5605 3.5625 4.2307 4.2331 4.7600 4.7667 4.8127 4.8158 12.1501 12.1604 12.4874 12.4887 12.6783 12.6790 13.0650 13.0660 13.4958 13.5058 k = 0.3459 0.5585-0.0000 ( 4320 PWs) bands (ev): -13.3214 -13.3213 -13.0828 -13.0828 -11.3754 -11.3754 -9.9134 -9.9115 -8.9169 -8.9117 -8.6743 -8.6658 -3.4878 -3.4867 -1.8953 -1.8902 -1.4832 -1.4826 -1.3792 -1.3689 -1.1170 -1.1115 -0.7539 -0.7477 0.6605 0.6648 0.8637 0.8755 1.7576 1.7664 2.0575 2.0576 2.5205 2.5228 2.7580 2.7690 2.9459 2.9516 3.5384 3.5396 3.5605 3.5625 4.2307 4.2331 4.7600 4.7667 4.8127 4.8158 12.1501 12.1604 12.4874 12.4887 12.6783 12.6790 13.0650 13.0660 13.4958 13.5058 k = 0.3294 0.5585-0.0000 ( 4320 PWs) bands (ev): -13.3257 -13.3256 -13.0830 -13.0830 -11.3564 -11.3564 -9.9384 -9.9365 -8.9079 -8.9025 -8.6733 -8.6648 -3.4851 -3.4840 -1.8849 -1.8799 -1.4945 -1.4934 -1.4056 -1.3955 -1.1295 -1.1238 -0.7055 -0.6991 0.6484 0.6526 0.8867 0.8984 1.7247 1.7335 2.0683 2.0684 2.5214 2.5230 2.7415 2.7527 2.9600 2.9651 3.5394 3.5417 3.5733 3.5745 4.2070 4.2093 4.7725 4.7783 4.8041 4.8062 12.1565 12.1674 12.4956 12.4974 12.6984 12.7000 13.0373 13.0385 13.5382 13.5480 k = 0.3130 0.5585-0.0000 ( 4319 PWs) bands (ev): -13.3305 -13.3304 -13.0835 -13.0835 -11.3352 -11.3351 -9.9641 -9.9623 -8.8986 -8.8931 -8.6727 -8.6642 -3.4816 -3.4805 -1.8917 -1.8870 -1.5005 -1.4985 -1.4272 -1.4175 -1.1374 -1.1317 -0.6543 -0.6478 0.6339 0.6381 0.9124 0.9241 1.6891 1.6980 2.0814 2.0815 2.5176 2.5189 2.7264 2.7376 2.9760 2.9807 3.5398 3.5435 3.5857 3.5863 4.1846 4.1868 4.7732 4.7749 4.8095 4.8122 12.1635 12.1748 12.4995 12.5021 12.7186 12.7213 13.0114 13.0128 13.5643 13.5731 k = 0.2965 0.5585-0.0000 ( 4320 PWs) bands (ev): -13.3357 -13.3356 -13.0844 -13.0843 -11.3117 -11.3116 -9.9905 -9.9888 -8.8891 -8.8835 -8.6725 -8.6639 -3.4772 -3.4760 -1.9161 -1.9120 -1.4987 -1.4959 -1.4453 -1.4364 -1.1403 -1.1346 -0.6012 -0.5947 0.6176 0.6217 0.9406 0.9522 1.6510 1.6599 2.0965 2.0968 2.5079 2.5091 2.7146 2.7256 2.9932 2.9976 3.5398 3.5449 3.5962 3.5979 4.1642 4.1662 4.7637 4.7646 4.8241 4.8286 12.1716 12.1833 12.4996 12.5032 12.7371 12.7408 12.9876 12.9893 13.5763 13.5837 k = 0.2800 0.5585-0.0000 ( 4324 PWs) bands (ev): -13.3412 -13.3411 -13.0855 -13.0855 -11.2863 -11.2862 -10.0176 -10.0160 -8.8794 -8.8736 -8.6726 -8.6640 -3.4717 -3.4705 -1.9551 -1.9516 -1.4910 -1.4871 -1.4609 -1.4532 -1.1374 -1.1318 -0.5472 -0.5405 0.5998 0.6038 0.9711 0.9827 1.6107 1.6197 2.1136 2.1139 2.4915 2.4930 2.7072 2.7177 3.0111 3.0153 3.5390 3.5457 3.6045 3.6079 4.1463 4.1482 4.7525 4.7538 4.8416 4.8467 12.1813 12.1933 12.4969 12.5013 12.7519 12.7566 12.9665 12.9685 13.5820 13.5886 k = 0.2635 0.5585-0.0000 ( 4328 PWs) bands (ev): -13.3469 -13.3468 -13.0869 -13.0869 -11.2590 -11.2589 -10.0455 -10.0440 -8.8696 -8.8637 -8.6730 -8.6645 -3.4651 -3.4638 -2.0044 -2.0015 -1.4839 -1.4758 -1.4719 -1.4685 -1.1282 -1.1227 -0.4926 -0.4860 0.5809 0.5848 1.0036 1.0152 1.5683 1.5774 2.1322 2.1328 2.4688 2.4708 2.7041 2.7139 3.0292 3.0334 3.5370 3.5453 3.6106 3.6158 4.1316 4.1333 4.7419 4.7434 4.8597 4.8651 12.1930 12.2051 12.4924 12.4975 12.7612 12.7667 12.9485 12.9507 13.5879 13.5939 k = 0.2471 0.5585-0.0000 ( 4329 PWs) bands (ev): -13.3526 -13.3525 -13.0885 -13.0885 -11.2300 -11.2298 -10.0742 -10.0727 -8.8597 -8.8536 -8.6738 -8.6653 -3.4571 -3.4558 -2.0605 -2.0580 -1.4928 -1.4838 -1.4660 -1.4643 -1.1124 -1.1071 -0.4383 -0.4317 0.5615 0.5652 1.0380 1.0494 1.5242 1.5334 2.1520 2.1530 2.4410 2.4435 2.7044 2.7134 3.0473 3.0515 3.5333 3.5431 3.6147 3.6217 4.1203 4.1220 4.7326 4.7342 4.8778 4.8833 12.2067 12.2190 12.4869 12.4926 12.7640 12.7701 12.9336 12.9362 13.5972 13.6027 k = 0.2306 0.5585-0.0000 ( 4327 PWs) bands (ev): -13.3584 -13.3583 -13.0904 -13.0903 -11.1994 -11.1993 -10.1035 -10.1021 -8.8497 -8.8436 -8.6749 -8.6665 -3.4477 -3.4463 -2.1206 -2.1184 -1.5058 -1.4979 -1.4576 -1.4553 -1.0903 -1.0852 -0.3846 -0.3781 0.5420 0.5454 1.0738 1.0852 1.4787 1.4879 2.1726 2.1741 2.4098 2.4125 2.7069 2.7152 3.0653 3.0694 3.5271 3.5381 3.6172 3.6258 4.1125 4.1143 4.7245 4.7262 4.8954 4.9009 12.2226 12.2350 12.4812 12.4874 12.7601 12.7666 12.9214 12.9244 13.6112 13.6164 k = 0.2141 0.5585-0.0000 ( 4325 PWs) bands (ev): -13.3640 -13.3639 -13.0924 -13.0923 -11.1676 -11.1674 -10.1335 -10.1322 -8.8398 -8.8335 -8.6764 -8.6680 -3.4369 -3.4354 -2.1828 -2.1809 -1.5187 -1.5116 -1.4512 -1.4488 -1.0628 -1.0580 -0.3322 -0.3258 0.5230 0.5262 1.1108 1.1220 1.4321 1.4414 2.1929 2.1953 2.3769 2.3794 2.7107 2.7183 3.0828 3.0870 3.5178 3.5295 3.6191 3.6287 4.1081 4.1101 4.7181 4.7198 4.9123 4.9178 12.2407 12.2531 12.4758 12.4824 12.7505 12.7572 12.9107 12.9142 13.6304 13.6353 k = 0.1977 0.5585-0.0000 ( 4328 PWs) bands (ev): -13.3696 -13.3695 -13.0944 -13.0944 -11.1346 -11.1344 -10.1642 -10.1629 -8.8299 -8.8235 -8.6782 -8.6698 -3.4244 -3.4229 -2.2459 -2.2442 -1.5311 -1.5247 -1.4471 -1.4447 -1.0311 -1.0266 -0.2816 -0.2756 0.5055 0.5082 1.1479 1.1589 1.3853 1.3948 2.2105 2.2147 2.3453 2.3467 2.7151 2.7221 3.0998 3.1041 3.5051 3.5167 3.6211 3.6310 4.1067 4.1088 4.7132 4.7150 4.9283 4.9337 12.2607 12.2731 12.4715 12.4785 12.7366 12.7434 12.9005 12.9044 13.6546 13.6591 k = 0.1812 0.5585-0.0000 ( 4333 PWs) bands (ev): -13.3749 -13.3748 -13.0966 -13.0965 -11.1006 -11.1004 -10.1955 -10.1942 -8.8201 -8.8135 -8.6804 -8.6720 -3.4104 -3.4088 -2.3089 -2.3073 -1.5430 -1.5372 -1.4448 -1.4426 -0.9965 -0.9924 -0.2338 -0.2281 0.4902 0.4924 1.1829 1.1936 1.3405 1.3505 2.2191 2.2265 2.3203 2.3217 2.7195 2.7261 3.1162 3.1206 3.4890 3.5001 3.6236 3.6332 4.1075 4.1098 4.7100 4.7118 4.9432 4.9485 12.2823 12.2948 12.4689 12.4762 12.7196 12.7265 12.8899 12.8941 13.6829 13.6872 k = 0.1647 0.5585-0.0000 ( 4336 PWs) bands (ev): -13.3800 -13.3799 -13.0987 -13.0986 -11.0660 -11.0658 -10.2272 -10.2260 -8.8104 -8.8038 -8.6829 -8.6745 -3.3947 -3.3931 -2.3710 -2.3696 -1.5542 -1.5490 -1.4440 -1.4419 -0.9603 -0.9564 -0.1897 -0.1844 0.4784 0.4799 1.2064 1.2162 1.3071 1.3183 2.2078 2.2181 2.3134 2.3172 2.7237 2.7299 3.1318 3.1363 3.4699 3.4801 3.6266 3.6356 4.1100 4.1124 4.7084 4.7102 4.9570 4.9620 12.3052 12.3177 12.4687 12.4762 12.7007 12.7076 12.8785 12.8830 13.7143 13.7185 k = 0.1482 0.5585-0.0000 ( 4341 PWs) bands (ev): -13.3847 -13.3846 -13.1008 -13.1007 -11.0309 -11.0307 -10.2593 -10.2582 -8.8009 -8.7942 -8.6857 -8.6774 -3.3775 -3.3759 -2.4316 -2.4302 -1.5646 -1.5601 -1.4440 -1.4422 -0.9234 -0.9198 -0.1502 -0.1456 0.4713 0.4720 1.1940 1.2027 1.3099 1.3219 2.1782 2.1889 2.3263 2.3300 2.7274 2.7331 3.1466 3.1511 3.4485 3.4577 3.6301 3.6383 4.1134 4.1159 4.7083 4.7102 4.9694 4.9741 12.3287 12.3410 12.4716 12.4792 12.6805 12.6874 12.8660 12.8708 13.7088 13.7134 k = 0.1318 0.5585-0.0000 ( 4343 PWs) bands (ev): -13.3891 -13.3890 -13.1027 -13.1027 -10.9957 -10.9954 -10.2915 -10.2905 -8.7917 -8.7848 -8.6889 -8.6807 -3.3589 -3.3573 -2.4901 -2.4888 -1.5742 -1.5702 -1.4447 -1.4430 -0.8869 -0.8835 -0.1167 -0.1128 0.4702 0.4705 1.1529 1.1613 1.3414 1.3531 2.1405 2.1510 2.3470 2.3502 2.7304 2.7358 3.1605 3.1652 3.4256 3.4337 3.6339 3.6412 4.1173 4.1197 4.7096 4.7114 4.9804 4.9849 12.3517 12.3637 12.4785 12.4863 12.6597 12.6666 12.8525 12.8576 13.6688 13.6730 k = 0.1153 0.5585-0.0000 ( 4345 PWs) bands (ev): -13.3930 -13.3930 -13.1046 -13.1045 -10.9606 -10.9604 -10.3236 -10.3227 -8.7827 -8.7757 -8.6924 -8.6843 -3.3392 -3.3376 -2.5458 -2.5446 -1.5828 -1.5794 -1.4456 -1.4441 -0.8516 -0.8484 -0.0899 -0.0869 0.4756 0.4770 1.1035 1.1119 1.3809 1.3923 2.0997 2.1099 2.3699 2.3726 2.7326 2.7376 3.1736 3.1783 3.4019 3.4091 3.6378 3.6440 4.1212 4.1234 4.7120 4.7138 4.9900 4.9941 12.3732 12.3848 12.4902 12.4981 12.6388 12.6457 12.8379 12.8433 13.6288 13.6327 k = 0.0988 0.5585-0.0000 ( 4345 PWs) bands (ev): -13.3965 -13.3965 -13.1062 -13.1062 -10.9263 -10.9260 -10.3553 -10.3544 -8.7740 -8.7669 -8.6963 -8.6882 -3.3186 -3.3171 -2.5982 -2.5970 -1.5904 -1.5875 -1.4467 -1.4454 -0.8183 -0.8155 -0.0704 -0.0682 0.4890 0.4915 1.0516 1.0598 1.4226 1.4336 2.0577 2.0676 2.3927 2.3951 2.7341 2.7387 3.1858 3.1907 3.3783 3.3847 3.6415 3.6469 4.1247 4.1268 4.7152 4.7169 4.9982 5.0019 12.3925 12.4034 12.5068 12.5146 12.6189 12.6255 12.8221 12.8278 13.5903 13.5938 k = 0.0824 0.5585-0.0000 ( 4344 PWs) bands (ev): -13.3995 -13.3995 -13.1077 -13.1077 -10.8932 -10.8929 -10.3860 -10.3852 -8.7656 -8.7584 -8.7006 -8.6926 -3.2979 -3.2964 -2.6462 -2.6451 -1.5970 -1.5945 -1.4477 -1.4466 -0.7879 -0.7854 -0.0577 -0.0563 0.5105 0.5140 0.9988 1.0070 1.4647 1.4753 2.0157 2.0254 2.4144 2.4165 2.7348 2.7389 3.1974 3.2023 3.3555 3.3612 3.6450 3.6494 4.1278 4.1296 4.7189 4.7203 5.0051 5.0082 12.4094 12.4197 12.5263 12.5334 12.6020 12.6077 12.8048 12.8109 13.5545 13.5576 k = 0.0659 0.5585-0.0000 ( 4348 PWs) bands (ev): -13.4020 -13.4020 -13.1089 -13.1089 -10.8622 -10.8619 -10.4148 -10.4141 -8.7575 -8.7503 -8.7052 -8.6973 -3.2777 -3.2764 -2.6889 -2.6879 -1.6023 -1.6004 -1.4486 -1.4478 -0.7613 -0.7592 -0.0508 -0.0500 0.5391 0.5435 0.9463 0.9542 1.5059 1.5158 1.9749 1.9841 2.4339 2.4357 2.7349 2.7385 3.2084 3.2133 3.3341 3.3391 3.6481 3.6516 4.1304 4.1318 4.7225 4.7238 5.0106 5.0132 12.4249 12.4345 12.5410 12.5460 12.5958 12.5990 12.7859 12.7923 13.5228 13.5253 k = 0.0494 0.5585-0.0000 ( 4346 PWs) bands (ev): -13.4040 -13.4040 -13.1099 -13.1099 -10.8346 -10.8343 -10.4407 -10.4401 -8.7499 -8.7427 -8.7100 -8.7023 -3.2593 -3.2583 -2.7249 -2.7240 -1.6065 -1.6050 -1.4494 -1.4487 -0.7393 -0.7377 -0.0480 -0.0475 0.5732 0.5783 0.8949 0.9024 1.5448 1.5537 1.9370 1.9453 2.4504 2.4518 2.7347 2.7375 3.2190 3.2238 3.3146 3.3192 3.6507 3.6534 4.1323 4.1335 4.7259 4.7269 5.0148 5.0169 12.4398 12.4489 12.5363 12.5424 12.6078 12.6136 12.7649 12.7716 13.4964 13.4984 k = 0.0329 0.5585-0.0000 ( 4346 PWs) bands (ev): -13.4054 -13.4054 -13.1106 -13.1106 -10.8122 -10.8120 -10.4618 -10.4614 -8.7426 -8.7356 -8.7150 -8.7077 -3.2442 -3.2435 -2.7525 -2.7519 -1.6094 -1.6085 -1.4499 -1.4495 -0.7228 -0.7216 -0.0476 -0.0473 0.6103 0.6155 0.8467 0.8535 1.5789 1.5860 1.9045 1.9113 2.4631 2.4641 2.7343 2.7363 3.2292 3.2335 3.2978 3.3019 3.6528 3.6545 4.1338 4.1345 4.7286 4.7293 5.0179 5.0193 12.4548 12.4635 12.5211 12.5284 12.6326 12.6398 12.7418 12.7489 13.4767 13.4780 k = 0.0165 0.5585-0.0000 ( 4346 PWs) bands (ev): -13.4063 -13.4063 -13.1111 -13.1111 -10.7972 -10.7971 -10.4759 -10.4757 -8.7360 -8.7302 -8.7193 -8.7132 -3.2341 -3.2337 -2.7700 -2.7697 -1.6111 -1.6106 -1.4502 -1.4500 -0.7124 -0.7118 -0.0480 -0.0479 0.6452 0.6493 0.8068 0.8116 1.6043 1.6084 1.8820 1.8860 2.4712 2.4717 2.7341 2.7352 3.2385 3.2416 3.2854 3.2883 3.6542 3.6551 4.1347 4.1351 4.7305 4.7308 5.0199 5.0206 12.4704 12.4787 12.5042 12.5119 12.6609 12.6685 12.7165 12.7239 13.4646 13.4652 k = 0.0000 0.5585-0.0000 ( 4348 PWs) bands (ev): -13.4066 -13.4066 -13.1112 -13.1112 -10.7918 -10.7918 -10.4808 -10.4808 -8.7306 -8.7306 -8.7183 -8.7183 -3.2304 -3.2304 -2.7759 -2.7759 -1.6115 -1.6115 -1.4502 -1.4502 -0.7087 -0.7087 -0.0482 -0.0482 0.6639 0.6639 0.7904 0.7904 1.6153 1.6153 1.8751 1.8751 2.4741 2.4741 2.7344 2.7344 3.2440 3.2440 3.2813 3.2813 3.6550 3.6550 4.1351 4.1351 4.7312 4.7312 5.0208 5.0208 12.4861 12.4861 12.4958 12.4958 12.6893 12.6893 12.6969 12.6969 13.4607 13.4607 k = 0.0000 0.5585-0.0000 ( 4348 PWs) bands (ev): -13.4066 -13.4066 -13.1112 -13.1112 -10.7918 -10.7918 -10.4808 -10.4808 -8.7306 -8.7306 -8.7183 -8.7183 -3.2304 -3.2304 -2.7759 -2.7759 -1.6115 -1.6115 -1.4502 -1.4502 -0.7087 -0.7087 -0.0482 -0.0482 0.6639 0.6639 0.7904 0.7904 1.6153 1.6153 1.8751 1.8751 2.4741 2.4741 2.7344 2.7344 3.2440 3.2440 3.2813 3.2813 3.6550 3.6550 4.1351 4.1351 4.7312 4.7312 5.0208 5.0208 12.4861 12.4861 12.4958 12.4958 12.6893 12.6893 12.6969 12.6969 13.4607 13.4607 k = 0.0000 0.5585 0.0163 ( 4350 PWs) bands (ev): -13.4063 -13.4063 -13.1113 -13.1113 -10.7910 -10.7910 -10.4802 -10.4802 -8.7322 -8.7321 -8.7201 -8.7200 -3.2301 -3.2299 -2.7755 -2.7753 -1.6109 -1.6109 -1.4477 -1.4474 -0.7070 -0.7067 -0.0489 -0.0488 0.6622 0.6623 0.7887 0.7889 1.6151 1.6151 1.8756 1.8757 2.4722 2.4722 2.7351 2.7351 3.2454 3.2454 3.2819 3.2819 3.6545 3.6545 4.1354 4.1355 4.7312 4.7312 5.0206 5.0206 12.4782 12.4793 12.4916 12.4920 12.6866 12.6868 12.7013 12.7016 13.4660 13.4661 k = 0.0000 0.5585 0.0326 ( 4348 PWs) bands (ev): -13.4056 -13.4056 -13.1116 -13.1116 -10.7886 -10.7886 -10.4783 -10.4782 -8.7369 -8.7366 -8.7252 -8.7252 -3.2289 -3.2286 -2.7741 -2.7738 -1.6093 -1.6092 -1.4398 -1.4392 -0.7015 -0.7010 -0.0508 -0.0506 0.6574 0.6576 0.7836 0.7840 1.6146 1.6147 1.8773 1.8774 2.4664 2.4664 2.7371 2.7372 3.2496 3.2496 3.2835 3.2837 3.6530 3.6531 4.1363 4.1365 4.7311 4.7312 5.0198 5.0198 12.4569 12.4582 12.4812 12.4814 12.6734 12.6737 12.7182 12.7189 13.4813 13.4816 k = 0.0000 0.5585 0.0489 ( 4354 PWs) bands (ev): -13.4045 -13.4044 -13.1120 -13.1120 -10.7846 -10.7846 -10.4752 -10.4750 -8.7447 -8.7443 -8.7337 -8.7336 -3.2270 -3.2265 -2.7718 -2.7712 -1.6066 -1.6065 -1.4266 -1.4257 -0.6923 -0.6916 -0.0541 -0.0538 0.6496 0.6498 0.7753 0.7760 1.6137 1.6138 1.8801 1.8801 2.4570 2.4571 2.7404 2.7405 3.2563 3.2564 3.2864 3.2867 3.6506 3.6507 4.1377 4.1380 4.7309 4.7310 5.0186 5.0186 12.4265 12.4277 12.4643 12.4644 12.6528 12.6531 12.7423 12.7430 13.5045 13.5049 k = 0.0000 0.5585 0.0652 ( 4354 PWs) bands (ev): -13.4028 -13.4028 -13.1127 -13.1127 -10.7789 -10.7789 -10.4708 -10.4706 -8.7555 -8.7550 -8.7455 -8.7454 -3.2242 -3.2236 -2.7685 -2.7678 -1.6028 -1.6027 -1.4082 -1.4071 -0.6792 -0.6783 -0.0587 -0.0583 0.6391 0.6394 0.7641 0.7650 1.6123 1.6124 1.8836 1.8837 2.4445 2.4446 2.7448 2.7450 3.2652 3.2653 3.2904 3.2908 3.6472 3.6473 4.1398 4.1402 4.7307 4.7308 5.0169 5.0169 12.3910 12.3920 12.4404 12.4406 12.6281 12.6284 12.7694 12.7702 13.5329 13.5332 k = 0.0000 0.5585 0.0815 ( 4344 PWs) bands (ev): -13.4008 -13.4007 -13.1135 -13.1135 -10.7717 -10.7717 -10.4651 -10.4648 -8.7694 -8.7687 -8.7605 -8.7603 -3.2205 -3.2198 -2.7643 -2.7635 -1.5983 -1.5981 -1.3849 -1.3835 -0.6624 -0.6613 -0.0648 -0.0642 0.6263 0.6268 0.7501 0.7512 1.6104 1.6105 1.8876 1.8877 2.4293 2.4294 2.7502 2.7504 3.2757 3.2759 3.2957 3.2962 3.6428 3.6430 4.1423 4.1429 4.7304 4.7306 5.0146 5.0146 12.3526 12.3535 12.4095 12.4097 12.6018 12.6020 12.7979 12.7985 13.5634 13.5634 k = 0.0000 0.5585 0.0978 ( 4334 PWs) bands (ev): -13.3982 -13.3982 -13.1145 -13.1145 -10.7628 -10.7628 -10.4581 -10.4578 -8.7863 -8.7855 -8.7783 -8.7781 -3.2159 -3.2151 -2.7594 -2.7584 -1.5929 -1.5927 -1.3569 -1.3552 -0.6417 -0.6404 -0.0725 -0.0718 0.6118 0.6124 0.7338 0.7351 1.6078 1.6080 1.8918 1.8920 2.4119 2.4120 2.7563 2.7565 3.2874 3.2878 3.3021 3.3029 3.6374 3.6375 4.1454 4.1460 4.7300 4.7302 5.0119 5.0119 12.3129 12.3137 12.3725 12.3725 12.5757 12.5757 12.8265 12.8269 13.5928 13.5930 k = 0.0000 0.5585 0.1141 ( 4334 PWs) bands (ev): -13.3953 -13.3952 -13.1158 -13.1157 -10.7524 -10.7523 -10.4499 -10.4496 -8.8064 -8.8055 -8.7988 -8.7986 -3.2105 -3.2095 -2.7537 -2.7527 -1.5869 -1.5866 -1.3246 -1.3226 -0.6172 -0.6156 -0.0818 -0.0810 0.5962 0.5968 0.7154 0.7169 1.6045 1.6047 1.8959 1.8960 2.3930 2.3931 2.7628 2.7630 3.2996 3.3004 3.3099 3.3109 3.6309 3.6311 4.1488 4.1496 4.7295 4.7297 5.0087 5.0087 12.2730 12.2736 12.3304 12.3307 12.5502 12.5505 12.8549 12.8550 13.6189 13.6195 k = 0.0000 0.5585 0.1304 ( 4338 PWs) bands (ev): -13.3919 -13.3918 -13.1172 -13.1171 -10.7403 -10.7403 -10.4404 -10.4401 -8.8297 -8.8288 -8.8214 -8.8214 -3.2041 -3.2030 -2.7475 -2.7463 -1.5804 -1.5801 -1.2882 -1.2859 -0.5887 -0.5870 -0.0929 -0.0919 0.5799 0.5807 0.6952 0.6970 1.6002 1.6005 1.8992 1.8993 2.3731 2.3731 2.7695 2.7697 3.3118 3.3131 3.3188 3.3204 3.6235 3.6236 4.1526 4.1534 4.7288 4.7290 5.0049 5.0049 12.2337 12.2342 12.2851 12.2857 12.5258 12.5264 12.8822 12.8824 13.6400 13.6409 k = 0.0000 0.5585 0.1467 ( 4336 PWs) bands (ev): -13.3881 -13.3880 -13.1188 -13.1187 -10.7267 -10.7266 -10.4297 -10.4293 -8.8562 -8.8554 -8.8462 -8.8460 -3.1967 -3.1955 -2.7407 -2.7396 -1.5735 -1.5731 -1.2482 -1.2457 -0.5565 -0.5545 -0.1058 -0.1047 0.5637 0.5646 0.6738 0.6757 1.5951 1.5954 1.9015 1.9015 2.3529 2.3529 2.7760 2.7762 3.3237 3.3256 3.3290 3.3312 3.6151 3.6152 4.1566 4.1575 4.7280 4.7282 5.0007 5.0007 12.1959 12.1963 12.2383 12.2394 12.5025 12.5033 12.9082 12.9089 13.6553 13.6566 k = 0.0000 0.5585 0.1630 ( 4332 PWs) bands (ev): -13.3839 -13.3838 -13.1206 -13.1206 -10.7114 -10.7114 -10.4177 -10.4173 -8.8856 -8.8849 -8.8730 -8.8727 -3.1883 -3.1871 -2.7337 -2.7324 -1.5663 -1.5658 -1.2051 -1.2024 -0.5204 -0.5183 -0.1205 -0.1192 0.5482 0.5492 0.6514 0.6536 1.5890 1.5894 1.9020 1.9021 2.3330 2.3331 2.7820 2.7821 3.3353 3.3375 3.3403 3.3425 3.6058 3.6059 4.1606 4.1617 4.7270 4.7273 4.9959 4.9959 12.1601 12.1605 12.1916 12.1932 12.4802 12.4813 12.9328 12.9339 13.6651 13.6667 k = 0.0000 0.5585 0.1793 ( 4340 PWs) bands (ev): -13.3793 -13.3792 -13.1227 -13.1226 -10.6946 -10.6946 -10.4045 -10.4040 -8.9177 -8.9171 -8.9018 -8.9013 -3.1790 -3.1776 -2.7264 -2.7251 -1.5588 -1.5582 -1.1596 -1.1565 -0.4808 -0.4785 -0.1369 -0.1355 0.5340 0.5351 0.6284 0.6308 1.5819 1.5823 1.9004 1.9005 2.3140 2.3142 2.7872 2.7873 3.3468 3.3488 3.3520 3.3539 3.5960 3.5960 4.1646 4.1658 4.7260 4.7263 4.9906 4.9906 12.1269 12.1275 12.1462 12.1486 12.4591 12.4604 12.9555 12.9570 13.6702 13.6721 k = 0.0000 0.5585 0.1956 ( 4338 PWs) bands (ev): -13.3744 -13.3743 -13.1249 -13.1248 -10.6763 -10.6762 -10.3900 -10.3895 -8.9521 -8.9516 -8.9325 -8.9319 -3.1686 -3.1672 -2.7190 -2.7178 -1.5511 -1.5504 -1.1122 -1.1090 -0.4377 -0.4352 -0.1548 -0.1533 0.5215 0.5227 0.6053 0.6079 1.5738 1.5742 1.8960 1.8962 2.2965 2.2968 2.7914 2.7915 3.3576 3.3589 3.3642 3.3653 3.5857 3.5858 4.1683 4.1696 4.7249 4.7252 4.9848 4.9848 12.0955 12.0974 12.1039 12.1080 12.4392 12.4408 12.9759 12.9779 13.6721 13.6740 k = 0.0000 0.5585 0.2119 ( 4340 PWs) bands (ev): -13.3691 -13.3690 -13.1274 -13.1273 -10.6564 -10.6563 -10.3743 -10.3737 -8.9888 -8.9883 -8.9649 -8.9642 -3.1572 -3.1557 -2.7117 -2.7105 -1.5431 -1.5424 -1.0640 -1.0605 -0.3914 -0.3888 -0.1739 -0.1722 0.5112 0.5125 0.5823 0.5851 1.5647 1.5651 1.8883 1.8887 2.2812 2.2816 2.7943 2.7943 3.3667 3.3673 3.3765 3.3766 3.5757 3.5759 4.1716 4.1729 4.7238 4.7241 4.9784 4.9785 12.0620 12.0627 12.0734 12.0768 12.4209 12.4227 12.9936 12.9961 13.6717 13.6738 k = 0.0000 0.5585 0.2282 ( 4336 PWs) bands (ev): -13.3635 -13.3634 -13.1302 -13.1300 -10.6350 -10.6348 -10.3574 -10.3568 -9.0274 -9.0269 -8.9990 -8.9981 -3.1448 -3.1433 -2.7047 -2.7036 -1.5349 -1.5340 -1.0158 -1.0120 -0.3423 -0.3396 -0.1933 -0.1915 0.5035 0.5050 0.5600 0.5630 1.5545 1.5549 1.8772 1.8776 2.2683 2.2688 2.7955 2.7956 3.3739 3.3741 3.3872 3.3879 3.5668 3.5673 4.1741 4.1755 4.7227 4.7231 4.9716 4.9717 12.0273 12.0280 12.0521 12.0545 12.4042 12.4062 13.0081 13.0110 13.6702 13.6723 k = 0.0000 0.5585 0.2445 ( 4334 PWs) bands (ev): -13.3576 -13.3575 -13.1331 -13.1330 -10.6120 -10.6119 -10.3393 -10.3386 -9.0678 -9.0673 -9.0345 -9.0336 -3.1315 -3.1299 -2.6981 -2.6971 -1.5263 -1.5253 -0.9689 -0.9650 -0.2909 -0.2880 -0.2123 -0.2103 0.4988 0.5004 0.5387 0.5419 1.5433 1.5437 1.8622 1.8628 2.2582 2.2588 2.7950 2.7951 3.3790 3.3790 3.3957 3.3971 3.5604 3.5612 4.1758 4.1773 4.7219 4.7222 4.9644 4.9645 11.9964 11.9977 12.0359 12.0381 12.3894 12.3915 13.0189 13.0223 13.6684 13.6704 k = 0.0000 0.5585 0.2608 ( 4334 PWs) bands (ev): -13.3514 -13.3513 -13.1363 -13.1362 -10.5876 -10.5874 -10.3200 -10.3193 -9.1097 -9.1092 -9.0713 -9.0703 -3.1172 -3.1155 -2.6922 -2.6912 -1.5172 -1.5162 -0.9250 -0.9209 -0.2384 -0.2354 -0.2290 -0.2267 0.4973 0.4989 0.5190 0.5224 1.5310 1.5315 1.8435 1.8441 2.2510 2.2517 2.7925 2.7926 3.3821 3.3822 3.4003 3.4022 3.5583 3.5593 4.1763 4.1778 4.7213 4.7217 4.9567 4.9568 11.9707 11.9723 12.0249 12.0270 12.3767 12.3788 13.0256 13.0295 13.6667 13.6686 k = 0.0000 0.5585 0.2771 ( 4328 PWs) bands (ev): -13.3450 -13.3448 -13.1397 -13.1396 -10.5617 -10.5615 -10.2996 -10.2988 -9.1530 -9.1525 -9.1093 -9.1082 -3.1019 -3.1002 -2.6869 -2.6861 -1.5076 -1.5064 -0.8858 -0.8815 -0.2440 -0.2418 -0.1830 -0.1801 0.4992 0.5002 0.5022 0.5051 1.5177 1.5182 1.8212 1.8218 2.2465 2.2472 2.7878 2.7881 3.3832 3.3834 3.3997 3.4020 3.5619 3.5631 4.1754 4.1770 4.7211 4.7214 4.9485 4.9487 11.9507 11.9525 12.0194 12.0215 12.3661 12.3683 13.0281 13.0325 13.6654 13.6667 k = 0.0000 0.5585 0.2934 ( 4330 PWs) bands (ev): -13.3383 -13.3381 -13.1434 -13.1433 -10.5343 -10.5342 -10.2780 -10.2772 -9.1974 -9.1969 -9.1482 -9.1471 -3.0858 -3.0841 -2.6827 -2.6820 -1.4972 -1.4959 -0.8534 -0.8491 -0.2532 -0.2507 -0.1287 -0.1257 0.4867 0.4906 0.5049 0.5067 1.5034 1.5038 1.7954 1.7961 2.2445 2.2452 2.7809 2.7812 3.3825 3.3827 3.3936 3.3962 3.5716 3.5728 4.1730 4.1746 4.7214 4.7217 4.9401 4.9403 11.9367 11.9387 12.0194 12.0217 12.3578 12.3602 13.0263 13.0311 13.6409 13.6440 k = 0.0000 0.5585 0.3097 ( 4328 PWs) bands (ev): -13.3314 -13.3313 -13.1474 -13.1472 -10.5056 -10.5054 -10.2554 -10.2545 -9.2427 -9.2423 -9.1879 -9.1868 -3.0689 -3.0671 -2.6795 -2.6789 -1.4859 -1.4845 -0.8300 -0.8257 -0.2557 -0.2529 -0.0756 -0.0726 0.4761 0.4802 0.5143 0.5162 1.4879 1.4884 1.7666 1.7673 2.2447 2.2455 2.7716 2.7719 3.3797 3.3798 3.3834 3.3861 3.5865 3.5876 4.1688 4.1704 4.7223 4.7226 4.9313 4.9315 11.9289 11.9310 12.0252 12.0275 12.3520 12.3544 13.0201 13.0254 13.5943 13.5974 k = 0.0000 0.5585 0.3260 ( 4330 PWs) bands (ev): -13.3244 -13.3242 -13.1515 -13.1514 -10.4755 -10.4753 -10.2317 -10.2308 -9.2888 -9.2884 -9.2283 -9.2271 -3.0512 -3.0494 -2.6776 -2.6772 -1.4736 -1.4721 -0.8170 -0.8129 -0.2504 -0.2473 -0.0254 -0.0224 0.4709 0.4751 0.5278 0.5298 1.4713 1.4717 1.7350 1.7357 2.2470 2.2477 2.7598 2.7601 3.3692 3.3712 3.3763 3.3769 3.6053 3.6063 4.1627 4.1643 4.7238 4.7242 4.9222 4.9225 11.9275 11.9297 12.0366 12.0391 12.3487 12.3510 13.0100 13.0157 13.5406 13.5439 k = 0.0000 0.5585 0.3423 ( 4328 PWs) bands (ev): -13.3171 -13.3170 -13.1560 -13.1558 -10.4441 -10.4439 -10.2071 -10.2062 -9.3354 -9.3350 -9.2691 -9.2679 -3.0329 -3.0310 -2.6770 -2.6768 -1.4600 -1.4584 -0.8150 -0.8109 -0.2371 -0.2336 0.0197 0.0226 0.4729 0.4770 0.5456 0.5475 1.4534 1.4539 1.7009 1.7016 2.2511 2.2518 2.7454 2.7457 3.3542 3.3565 3.3704 3.3707 3.6268 3.6276 4.1548 4.1563 4.7261 4.7264 4.9129 4.9132 11.9325 11.9348 12.0535 12.0562 12.3479 12.3502 12.9962 13.0024 13.4803 13.4838 k = 0.0000 0.5585 0.3586 ( 4336 PWs) bands (ev): -13.3098 -13.3096 -13.1607 -13.1605 -10.4114 -10.4112 -10.1816 -10.1806 -9.3823 -9.3819 -9.3102 -9.3090 -3.0139 -3.0120 -2.6780 -2.6780 -1.4451 -1.4433 -0.8230 -0.8191 -0.2169 -0.2132 0.0576 0.0601 0.4839 0.4879 0.5678 0.5697 1.4343 1.4347 1.6645 1.6651 2.2569 2.2576 2.7283 2.7287 3.3385 3.3409 3.3632 3.3636 3.6501 3.6508 4.1448 4.1463 4.7292 4.7294 4.9035 4.9038 11.9441 11.9464 12.0757 12.0786 12.3496 12.3518 12.9794 12.9860 13.4143 13.4179 k = 0.0000 0.5585 0.3749 ( 4340 PWs) bands (ev): -13.3023 -13.3022 -13.1656 -13.1654 -10.3775 -10.3773 -10.1553 -10.1544 -9.4292 -9.4287 -9.3515 -9.3502 -2.9944 -2.9925 -2.6807 -2.6806 -1.4286 -1.4267 -0.8396 -0.8358 -0.1918 -0.1878 0.0864 0.0883 0.5054 0.5090 0.5944 0.5962 1.4139 1.4142 1.6260 1.6266 2.2643 2.2649 2.7087 2.7091 3.3231 3.3255 3.3549 3.3553 3.6748 3.6753 4.1330 4.1344 4.7330 4.7332 4.8939 4.8942 11.9620 11.9644 12.1029 12.1059 12.3538 12.3560 12.9603 12.9673 13.3439 13.3476 k = 0.0000 0.5585 0.3912 ( 4340 PWs) bands (ev): -13.2948 -13.2946 -13.1708 -13.1706 -10.3425 -10.3423 -10.1285 -10.1276 -9.4757 -9.4753 -9.3927 -9.3915 -2.9744 -2.9726 -2.6851 -2.6848 -1.4105 -1.4085 -0.8628 -0.8592 -0.1638 -0.1597 0.1056 0.1068 0.5372 0.5403 0.6254 0.6271 1.3920 1.3923 1.5856 1.5862 2.2733 2.2738 2.6866 2.6870 3.3087 3.3111 3.3456 3.3462 3.7003 3.7007 4.1193 4.1207 4.7376 4.7377 4.8843 4.8846 11.9862 11.9885 12.1343 12.1375 12.3605 12.3625 12.9393 12.9467 13.2706 13.2743 k = 0.0000 0.5585 0.4075 ( 4338 PWs) bands (ev): -13.2872 -13.2870 -13.1762 -13.1760 -10.3065 -10.3063 -10.1015 -10.1005 -9.5217 -9.5212 -9.4337 -9.4324 -2.9542 -2.9523 -2.6911 -2.6907 -1.3907 -1.3885 -0.8909 -0.8874 -0.1347 -0.1305 0.1159 0.1163 0.5780 0.5804 0.6605 0.6620 1.3686 1.3689 1.5435 1.5441 2.2839 2.2843 2.6623 2.6626 3.2957 3.2981 3.3357 3.3364 3.7263 3.7267 4.1039 4.1052 4.7428 4.7429 4.8747 4.8750 12.0162 12.0185 12.1692 12.1726 12.3696 12.3714 12.9170 12.9248 13.1961 13.2000 k = 0.0000 0.5585 0.4238 ( 4342 PWs) bands (ev): -13.2796 -13.2794 -13.1819 -13.1817 -10.2696 -10.2694 -10.0745 -10.0735 -9.5664 -9.5659 -9.4743 -9.4730 -2.9337 -2.9318 -2.6989 -2.6982 -1.3691 -1.3668 -0.9224 -0.9190 -0.1060 -0.1018 0.1189 0.1191 0.6250 0.6269 0.6993 0.7006 1.3438 1.3440 1.4999 1.5004 2.2962 2.2965 2.6359 2.6362 3.2845 3.2869 3.3253 3.3262 3.7527 3.7530 4.0869 4.0881 4.7486 4.7487 4.8651 4.8654 12.0518 12.0540 12.2064 12.2100 12.3811 12.3826 12.8934 12.9015 13.1231 13.1269 k = 0.0000 0.5585 0.4401 ( 4344 PWs) bands (ev): -13.2720 -13.2718 -13.1878 -13.1876 -10.2320 -10.2318 -10.0484 -10.0474 -9.6091 -9.6086 -9.5142 -9.5129 -2.9131 -2.9113 -2.7083 -2.7075 -1.3456 -1.3432 -0.9562 -0.9529 -0.0785 -0.0743 0.1163 0.1171 0.6758 0.6772 0.7409 0.7420 1.3177 1.3179 1.4550 1.4555 2.3102 2.3105 2.6080 2.6082 3.2754 3.2777 3.3149 3.3159 3.7793 3.7795 4.0684 4.0695 4.7550 4.7550 4.8556 4.8559 12.0923 12.0945 12.2443 12.2481 12.3948 12.3960 12.8672 12.8752 13.0558 13.0591 k = 0.0000 0.5585 0.4564 ( 4352 PWs) bands (ev): -13.2644 -13.2642 -13.1939 -13.1937 -10.1939 -10.1937 -10.0242 -10.0232 -9.6486 -9.6482 -9.5532 -9.5519 -2.8925 -2.8907 -2.7193 -2.7184 -1.3203 -1.3178 -0.9914 -0.9881 -0.0526 -0.0485 0.1100 0.1113 0.7278 0.7289 0.7841 0.7850 1.2907 1.2909 1.4094 1.4099 2.3261 2.3263 2.5790 2.5791 3.2684 3.2706 3.3046 3.3058 3.8059 3.8059 4.0486 4.0496 4.7618 4.7618 4.8461 4.8464 12.1369 12.1390 12.2809 12.2849 12.4108 12.4117 12.8345 12.8412 13.0018 13.0037 k = 0.0000 0.5585 0.4727 ( 4356 PWs) bands (ev): -13.2568 -13.2566 -13.2002 -13.2000 -10.1557 -10.1554 -10.0038 -10.0029 -9.6831 -9.6825 -9.5908 -9.5895 -2.8721 -2.8704 -2.7318 -2.7307 -1.2933 -1.2906 -1.0274 -1.0241 -0.0288 -0.0248 0.1011 0.1029 0.7791 0.7799 0.8272 0.8278 1.2638 1.2640 1.3636 1.3641 2.3439 2.3441 2.5494 2.5495 3.2636 3.2658 3.2948 3.2962 3.8323 3.8324 4.0277 4.0286 4.7690 4.7691 4.8368 4.8371 12.1844 12.1864 12.3134 12.3174 12.4294 12.4300 12.7896 12.7939 12.9698 12.9705 k = 0.0000 0.5585 0.4890 ( 4346 PWs) bands (ev): -13.2493 -13.2491 -13.2067 -13.2065 -10.1179 -10.1175 -9.9902 -9.9893 -9.7094 -9.7087 -9.6265 -9.6253 -2.8520 -2.8503 -2.7458 -2.7446 -1.2645 -1.2618 -1.0635 -1.0603 -0.0068 -0.0031 0.0902 0.0923 0.8273 0.8280 0.8676 0.8680 1.2388 1.2390 1.3189 1.3193 2.3637 2.3638 2.5196 2.5197 3.2611 3.2632 3.2858 3.2873 3.8585 3.8586 4.0057 4.0065 4.7766 4.7767 4.8276 4.8279 12.2328 12.2348 12.3388 12.3426 12.4513 12.4515 12.7330 12.7351 12.9609 12.9638 k = 0.0000 0.5585 0.5053 ( 4348 PWs) bands (ev): -13.2419 -13.2417 -13.2134 -13.2132 -10.0812 -10.0809 -9.9870 -9.9863 -9.7238 -9.7230 -9.6595 -9.6583 -2.8324 -2.8307 -2.7610 -2.7597 -1.2341 -1.2313 -1.0993 -1.0962 0.0132 0.0168 0.0776 0.0802 0.8699 0.8705 0.9009 0.9010 1.2191 1.2194 1.2771 1.2776 2.3855 2.3856 2.4904 2.4904 3.2607 3.2627 3.2778 3.2794 3.8843 3.8846 3.9828 3.9835 4.7845 4.7846 4.8186 4.8188 12.2788 12.2807 12.3539 12.3574 12.4779 12.4782 12.6713 12.6719 12.9740 12.9780 k = 0.0000 0.5585 0.5216 ( 4352 PWs) bands (ev): -13.2346 -13.2344 -13.2203 -13.2201 -10.0471 -10.0467 -9.9966 -9.9960 -9.7240 -9.7230 -9.6884 -9.6873 -2.8133 -2.8117 -2.7775 -2.7760 -1.2022 -1.1993 -1.1346 -1.1315 0.0316 0.0349 0.0637 0.0665 0.9031 0.9036 0.9209 0.9210 1.2104 1.2107 1.2417 1.2422 2.4093 2.4093 2.4620 2.4620 3.2623 3.2643 3.2711 3.2728 3.9098 3.9102 3.9591 3.9597 4.7927 4.7928 4.8098 4.8100 12.3177 12.3197 12.3564 12.3593 12.5121 12.5127 12.6108 12.6110 13.0055 13.0098 k = 0.0000 0.5585 0.5379 ( 4352 PWs) bands (ev): -13.2274 -13.2274 -13.2272 -13.2272 -10.0178 -10.0178 -10.0174 -10.0174 -9.7110 -9.7110 -9.7099 -9.7099 -2.7949 -2.7949 -2.7934 -2.7934 -1.1689 -1.1689 -1.1660 -1.1660 0.0484 0.0484 0.0514 0.0514 0.9217 0.9217 0.9220 0.9220 1.2178 1.2178 1.2183 1.2183 2.4348 2.4348 2.4348 2.4348 3.2658 3.2658 3.2677 3.2677 3.9348 3.9348 3.9352 3.9352 4.8011 4.8011 4.8013 4.8013 12.3444 12.3444 12.3468 12.3468 12.5565 12.5565 12.5570 12.5570 13.0524 13.0524 k = 0.0000 0.5585 0.5379 ( 4352 PWs) bands (ev): -13.2274 -13.2274 -13.2272 -13.2272 -10.0178 -10.0178 -10.0174 -10.0174 -9.7110 -9.7110 -9.7099 -9.7099 -2.7949 -2.7949 -2.7934 -2.7934 -1.1689 -1.1689 -1.1660 -1.1660 0.0484 0.0484 0.0514 0.0514 0.9217 0.9217 0.9220 0.9220 1.2178 1.2178 1.2183 1.2183 2.4348 2.4348 2.4348 2.4348 3.2658 3.2658 3.2677 3.2677 3.9348 3.9348 3.9352 3.9352 4.8011 4.8011 4.8013 4.8013 12.3444 12.3444 12.3468 12.3468 12.5565 12.5565 12.5570 12.5570 13.0524 13.0524 k = 0.0165 0.5585 0.5379 ( 4350 PWs) bands (ev): -13.2272 -13.2272 -13.2270 -13.2270 -10.0203 -10.0203 -10.0197 -10.0197 -9.7089 -9.7089 -9.7078 -9.7078 -2.7932 -2.7932 -2.7917 -2.7917 -1.1725 -1.1725 -1.1696 -1.1696 0.0507 0.0507 0.0537 0.0537 0.9199 0.9199 0.9213 0.9213 1.2186 1.2186 1.2204 1.2204 2.4338 2.4338 2.4343 2.4343 3.2670 3.2670 3.2689 3.2689 3.9353 3.9353 3.9358 3.9358 4.7992 4.7992 4.7995 4.7995 12.3436 12.3436 12.3461 12.3461 12.5564 12.5564 12.5576 12.5576 13.0522 13.0522 k = 0.0329 0.5585 0.5379 ( 4346 PWs) bands (ev): -13.2267 -13.2267 -13.2265 -13.2265 -10.0273 -10.0273 -10.0265 -10.0265 -9.7028 -9.7028 -9.7015 -9.7015 -2.7881 -2.7881 -2.7866 -2.7866 -1.1832 -1.1832 -1.1803 -1.1803 0.0575 0.0575 0.0606 0.0606 0.9156 0.9156 0.9182 0.9182 1.2221 1.2221 1.2255 1.2255 2.4313 2.4313 2.4322 2.4322 3.2705 3.2705 3.2724 3.2724 3.9370 3.9370 3.9376 3.9376 4.7935 4.7935 4.7941 4.7941 12.3413 12.3413 12.3441 12.3441 12.5567 12.5567 12.5588 12.5588 13.0514 13.0514 k = 0.0494 0.5585 0.5379 ( 4350 PWs) bands (ev): -13.2259 -13.2259 -13.2257 -13.2257 -10.0384 -10.0384 -10.0373 -10.0373 -9.6932 -9.6932 -9.6918 -9.6918 -2.7796 -2.7796 -2.7780 -2.7780 -1.2006 -1.2006 -1.1978 -1.1978 0.0685 0.0685 0.0716 0.0716 0.9092 0.9092 0.9128 0.9128 1.2282 1.2282 1.2331 1.2331 2.4274 2.4274 2.4287 2.4287 3.2761 3.2761 3.2781 3.2781 3.9398 3.9398 3.9406 3.9406 4.7842 4.7842 4.7851 4.7851 12.3377 12.3377 12.3408 12.3408 12.5573 12.5573 12.5604 12.5604 13.0502 13.0502 k = 0.0659 0.5585 0.5379 ( 4348 PWs) bands (ev): -13.2248 -13.2248 -13.2246 -13.2246 -10.0527 -10.0527 -10.0515 -10.0515 -9.6808 -9.6808 -9.6792 -9.6792 -2.7678 -2.7678 -2.7662 -2.7662 -1.2245 -1.2245 -1.2217 -1.2217 0.0834 0.0834 0.0865 0.0865 0.9010 0.9010 0.9055 0.9055 1.2366 1.2366 1.2428 1.2428 2.4223 2.4223 2.4239 2.4239 3.2837 3.2837 3.2858 3.2858 3.9438 3.9438 3.9449 3.9449 4.7713 4.7713 4.7725 4.7725 12.3328 12.3328 12.3363 12.3363 12.5581 12.5581 12.5623 12.5623 13.0487 13.0487 k = 0.0824 0.5585 0.5379 ( 4344 PWs) bands (ev): -13.2233 -13.2233 -13.2231 -13.2231 -10.0697 -10.0697 -10.0683 -10.0683 -9.6661 -9.6661 -9.6644 -9.6644 -2.7527 -2.7527 -2.7510 -2.7510 -1.2542 -1.2542 -1.2515 -1.2515 0.1017 0.1017 0.1048 0.1048 0.8914 0.8914 0.8966 0.8966 1.2470 1.2470 1.2542 1.2542 2.4161 2.4161 2.4181 2.4181 3.2930 3.2930 3.2952 3.2952 3.9492 3.9492 3.9505 3.9505 4.7551 4.7551 4.7566 4.7566 12.3268 12.3268 12.3307 12.3307 12.5591 12.5591 12.5641 12.5641 13.0469 13.0469 k = 0.0988 0.5585 0.5379 ( 4340 PWs) bands (ev): -13.2216 -13.2216 -13.2214 -13.2214 -10.0886 -10.0886 -10.0870 -10.0870 -9.6499 -9.6499 -9.6481 -9.6481 -2.7343 -2.7343 -2.7326 -2.7326 -1.2893 -1.2893 -1.2866 -1.2866 0.1227 0.1227 0.1258 0.1258 0.8808 0.8808 0.8865 0.8865 1.2588 1.2588 1.2670 1.2670 2.4091 2.4091 2.4114 2.4114 3.3037 3.3037 3.3058 3.3058 3.9560 3.9560 3.9574 3.9574 4.7356 4.7356 4.7374 4.7374 12.3199 12.3199 12.3240 12.3240 12.5600 12.5600 12.5659 12.5659 13.0449 13.0449 k = 0.1153 0.5585 0.5379 ( 4330 PWs) bands (ev): -13.2196 -13.2196 -13.2194 -13.2194 -10.1089 -10.1089 -10.1073 -10.1073 -9.6325 -9.6325 -9.6306 -9.6306 -2.7128 -2.7128 -2.7110 -2.7110 -1.3291 -1.3291 -1.3265 -1.3265 0.1460 0.1460 0.1491 0.1491 0.8695 0.8695 0.8756 0.8756 1.2718 1.2718 1.2807 1.2807 2.4015 2.4015 2.4040 2.4040 3.3153 3.3153 3.3174 3.3174 3.9642 3.9642 3.9658 3.9658 4.7132 4.7132 4.7153 4.7153 12.3120 12.3120 12.3163 12.3163 12.5607 12.5607 12.5674 12.5674 13.0430 13.0430 k = 0.1318 0.5585 0.5379 ( 4332 PWs) bands (ev): -13.2174 -13.2174 -13.2172 -13.2172 -10.1303 -10.1303 -10.1286 -10.1286 -9.6143 -9.6143 -9.6124 -9.6124 -2.6883 -2.6883 -2.6864 -2.6864 -1.3732 -1.3732 -1.3707 -1.3707 0.1709 0.1709 0.1742 0.1742 0.8578 0.8578 0.8642 0.8642 1.2855 1.2855 1.2950 1.2950 2.3935 2.3935 2.3963 2.3963 3.3275 3.3275 3.3296 3.3296 3.9740 3.9740 3.9758 3.9758 4.6880 4.6880 4.6904 4.6904 12.3032 12.3032 12.3076 12.3076 12.5610 12.5610 12.5686 12.5686 13.0412 13.0412 k = 0.1482 0.5585 0.5379 ( 4332 PWs) bands (ev): -13.2150 -13.2150 -13.2148 -13.2148 -10.1523 -10.1523 -10.1506 -10.1506 -9.5956 -9.5956 -9.5937 -9.5937 -2.6608 -2.6608 -2.6588 -2.6588 -1.4210 -1.4210 -1.4185 -1.4185 0.1972 0.1972 0.2005 0.2005 0.8459 0.8459 0.8524 0.8524 1.2997 1.2997 1.3098 1.3098 2.3855 2.3855 2.3885 2.3885 3.3398 3.3398 3.3418 3.3418 3.9856 3.9856 3.9875 3.9875 4.6603 4.6603 4.6630 4.6630 12.2935 12.2935 12.2980 12.2980 12.5611 12.5611 12.5694 12.5694 13.0399 13.0399 k = 0.1647 0.5585 0.5379 ( 4342 PWs) bands (ev): -13.2124 -13.2124 -13.2122 -13.2122 -10.1748 -10.1748 -10.1731 -10.1731 -9.5767 -9.5767 -9.5747 -9.5747 -2.6305 -2.6305 -2.6284 -2.6284 -1.4721 -1.4721 -1.4696 -1.4696 0.2242 0.2242 0.2276 0.2276 0.8341 0.8341 0.8407 0.8407 1.3140 1.3140 1.3246 1.3246 2.3777 2.3777 2.3807 2.3807 3.3519 3.3519 3.3538 3.3538 3.9989 3.9989 4.0010 4.0010 4.6305 4.6305 4.6334 4.6334 12.2827 12.2827 12.2873 12.2873 12.5607 12.5607 12.5697 12.5697 13.0390 13.0390 k = 0.1812 0.5585 0.5379 ( 4348 PWs) bands (ev): -13.2096 -13.2096 -13.2095 -13.2095 -10.1974 -10.1974 -10.1957 -10.1957 -9.5576 -9.5576 -9.5556 -9.5556 -2.5975 -2.5975 -2.5953 -2.5953 -1.5260 -1.5260 -1.5236 -1.5236 0.2516 0.2516 0.2551 0.2551 0.8224 0.8224 0.8290 0.8290 1.3283 1.3283 1.3393 1.3393 2.3702 2.3702 2.3733 2.3733 3.3634 3.3634 3.3651 3.3651 4.0141 4.0141 4.0163 4.0163 4.5988 4.5988 4.6020 4.6020 12.2709 12.2709 12.2755 12.2755 12.5600 12.5600 12.5697 12.5697 13.0389 13.0389 k = 0.1977 0.5585 0.5379 ( 4338 PWs) bands (ev): -13.2068 -13.2068 -13.2066 -13.2066 -10.2200 -10.2200 -10.2183 -10.2183 -9.5385 -9.5385 -9.5365 -9.5365 -2.5619 -2.5619 -2.5597 -2.5597 -1.5825 -1.5825 -1.5801 -1.5801 0.2791 0.2791 0.2827 0.2827 0.8111 0.8111 0.8177 0.8177 1.3424 1.3424 1.3536 1.3536 2.3633 2.3633 2.3665 2.3665 3.3739 3.3739 3.3754 3.3754 4.0314 4.0314 4.0337 4.0337 4.5656 4.5656 4.5690 4.5690 12.2578 12.2578 12.2625 12.2625 12.5589 12.5589 12.5692 12.5692 13.0398 13.0398 k = 0.2141 0.5585 0.5379 ( 4342 PWs) bands (ev): -13.2039 -13.2039 -13.2037 -13.2037 -10.2424 -10.2424 -10.2407 -10.2407 -9.5194 -9.5194 -9.5174 -9.5174 -2.5240 -2.5240 -2.5217 -2.5217 -1.6412 -1.6412 -1.6388 -1.6388 0.3063 0.3063 0.3101 0.3101 0.8004 0.8004 0.8069 0.8069 1.3559 1.3559 1.3674 1.3674 2.3572 2.3572 2.3604 2.3604 3.3831 3.3831 3.3843 3.3843 4.0506 4.0506 4.0531 4.0531 4.5313 4.5313 4.5349 4.5349 12.2433 12.2433 12.2480 12.2480 12.5576 12.5576 12.5684 12.5684 13.0418 13.0418 k = 0.2306 0.5585 0.5379 ( 4344 PWs) bands (ev): -13.2009 -13.2009 -13.2008 -13.2008 -10.2644 -10.2644 -10.2627 -10.2627 -9.5005 -9.5005 -9.4985 -9.4985 -2.4838 -2.4838 -2.4814 -2.4814 -1.7018 -1.7018 -1.6994 -1.6994 0.3330 0.3330 0.3369 0.3369 0.7904 0.7904 0.7968 0.7968 1.3687 1.3687 1.3804 1.3804 2.3520 2.3520 2.3553 2.3553 3.3907 3.3907 3.3918 3.3918 4.0719 4.0719 4.0745 4.0745 4.4962 4.4962 4.4999 4.4999 12.2274 12.2274 12.2321 12.2321 12.5560 12.5560 12.5672 12.5672 13.0451 13.0451 k = 0.2471 0.5585 0.5379 ( 4342 PWs) bands (ev): -13.1980 -13.1980 -13.1979 -13.1979 -10.2859 -10.2859 -10.2843 -10.2843 -9.4818 -9.4818 -9.4797 -9.4797 -2.4416 -2.4416 -2.4391 -2.4391 -1.7641 -1.7641 -1.7616 -1.7616 0.3589 0.3589 0.3629 0.3629 0.7812 0.7812 0.7875 0.7875 1.3806 1.3806 1.3925 1.3925 2.3481 2.3481 2.3513 2.3513 3.3966 3.3966 3.3976 3.3976 4.0952 4.0952 4.0979 4.0979 4.4606 4.4606 4.4645 4.4645 12.2098 12.2098 12.2146 12.2146 12.5542 12.5542 12.5656 12.5656 13.0498 13.0498 k = 0.2635 0.5585 0.5379 ( 4346 PWs) bands (ev): -13.1951 -13.1951 -13.1950 -13.1950 -10.3068 -10.3068 -10.3052 -10.3052 -9.4632 -9.4632 -9.4612 -9.4612 -2.3974 -2.3974 -2.3949 -2.3949 -1.8278 -1.8278 -1.8253 -1.8253 0.3836 0.3836 0.3877 0.3877 0.7732 0.7732 0.7793 0.7793 1.3914 1.3914 1.4034 1.4034 2.3454 2.3454 2.3486 2.3486 3.4006 3.4006 3.4016 3.4016 4.1203 4.1203 4.1232 4.1232 4.4250 4.4250 4.4290 4.4290 12.1907 12.1907 12.1954 12.1954 12.5521 12.5521 12.5636 12.5636 13.0562 13.0562 k = 0.2800 0.5585 0.5379 ( 4346 PWs) bands (ev): -13.1924 -13.1924 -13.1923 -13.1923 -10.3270 -10.3270 -10.3254 -10.3254 -9.4449 -9.4449 -9.4429 -9.4429 -2.3516 -2.3516 -2.3490 -2.3490 -1.8928 -1.8928 -1.8902 -1.8902 0.4070 0.4070 0.4111 0.4111 0.7665 0.7665 0.7724 0.7724 1.4009 1.4009 1.4130 1.4130 2.3442 2.3442 2.3473 2.3473 3.4027 3.4027 3.4037 3.4037 4.1470 4.1470 4.1501 4.1501 4.3898 4.3898 4.3938 4.3938 12.1699 12.1699 12.1746 12.1746 12.5498 12.5498 12.5613 12.5613 13.0643 13.0643 k = 0.2965 0.5585 0.5379 ( 4342 PWs) bands (ev): -13.1898 -13.1898 -13.1897 -13.1897 -10.3463 -10.3463 -10.3447 -10.3447 -9.4269 -9.4269 -9.4249 -9.4249 -2.3042 -2.3042 -2.3015 -2.3015 -1.9589 -1.9589 -1.9562 -1.9562 0.4285 0.4285 0.4327 0.4327 0.7615 0.7615 0.7671 0.7671 1.4089 1.4089 1.4211 1.4211 2.3446 2.3446 2.3476 2.3476 3.4029 3.4029 3.4040 3.4040 4.1750 4.1750 4.1783 4.1783 4.3556 4.3556 4.3596 4.3596 12.1474 12.1474 12.1521 12.1521 12.5470 12.5470 12.5585 12.5585 13.0742 13.0742 k = 0.3130 0.5585 0.5379 ( 4342 PWs) bands (ev): -13.1874 -13.1874 -13.1873 -13.1873 -10.3646 -10.3646 -10.3630 -10.3630 -9.4091 -9.4091 -9.4072 -9.4072 -2.2555 -2.2555 -2.2528 -2.2528 -2.0259 -2.0259 -2.0231 -2.0231 0.4478 0.4478 0.4522 0.4522 0.7585 0.7585 0.7639 0.7639 1.4152 1.4152 1.4274 1.4274 2.3467 2.3467 2.3497 2.3497 3.4013 3.4013 3.4026 3.4026 4.2032 4.2032 4.2068 4.2068 4.3236 4.3236 4.3274 4.3274 12.1234 12.1234 12.1280 12.1280 12.5439 12.5439 12.5551 12.5551 13.0859 13.0859 k = 0.3294 0.5585 0.5379 ( 4342 PWs) bands (ev): -13.1852 -13.1852 -13.1851 -13.1851 -10.3818 -10.3818 -10.3803 -10.3803 -9.3916 -9.3916 -9.3897 -9.3897 -2.2059 -2.2059 -2.2030 -2.2030 -2.0935 -2.0935 -2.0907 -2.0907 0.4645 0.4645 0.4689 0.4689 0.7580 0.7580 0.7632 0.7632 1.4196 1.4196 1.4318 1.4318 2.3506 2.3506 2.3535 2.3535 3.3981 3.3981 3.3995 3.3995 4.2271 4.2271 4.2311 4.2311 4.2984 4.2984 4.3013 4.3013 12.0978 12.0978 12.1024 12.1024 12.5403 12.5403 12.5513 12.5513 13.0993 13.0993 k = 0.3459 0.5585 0.5379 ( 4344 PWs) bands (ev): -13.1833 -13.1833 -13.1832 -13.1832 -10.3979 -10.3979 -10.3964 -10.3964 -9.3744 -9.3744 -9.3725 -9.3725 -2.1656 -2.1656 -2.1647 -2.1647 -2.1494 -2.1494 -2.1485 -2.1485 0.4782 0.4782 0.4827 0.4827 0.7603 0.7603 0.7654 0.7654 1.4220 1.4220 1.4342 1.4342 2.3565 2.3565 2.3593 2.3593 3.3934 3.3934 3.3949 3.3949 4.2298 4.2298 4.2339 4.2339 4.2975 4.2975 4.2985 4.2985 12.0708 12.0708 12.0753 12.0753 12.5361 12.5361 12.5469 12.5469 13.1142 13.1142 k = 0.3459 0.5585 0.5379 ( 4344 PWs) bands (ev): -13.1833 -13.1833 -13.1832 -13.1832 -10.3979 -10.3979 -10.3964 -10.3964 -9.3744 -9.3744 -9.3725 -9.3725 -2.1656 -2.1656 -2.1647 -2.1647 -2.1494 -2.1494 -2.1485 -2.1485 0.4782 0.4782 0.4827 0.4827 0.7603 0.7603 0.7654 0.7654 1.4220 1.4220 1.4342 1.4342 2.3565 2.3565 2.3593 2.3593 3.3934 3.3934 3.3949 3.3949 4.2298 4.2298 4.2339 4.2339 4.2975 4.2975 4.2985 4.2985 12.0708 12.0708 12.0753 12.0753 12.5361 12.5361 12.5469 12.5469 13.1142 13.1142 k = 0.3373 0.5445 0.5379 ( 4346 PWs) bands (ev): -13.1867 -13.1867 -13.1866 -13.1866 -10.3679 -10.3679 -10.3663 -10.3663 -9.4070 -9.4070 -9.4050 -9.4050 -2.1924 -2.1924 -2.1917 -2.1917 -2.0896 -2.0896 -2.0888 -2.0888 0.4544 0.4544 0.4587 0.4587 0.7528 0.7528 0.7582 0.7582 1.4202 1.4202 1.4324 1.4324 2.3440 2.3440 2.3470 2.3470 3.4030 3.4030 3.4043 3.4043 4.2561 4.2561 4.2597 4.2597 4.2690 4.2690 4.2695 4.2695 12.1227 12.1227 12.1273 12.1273 12.5435 12.5435 12.5547 12.5547 13.0856 13.0856 k = 0.3286 0.5306 0.5379 ( 4350 PWs) bands (ev): -13.1901 -13.1901 -13.1901 -13.1901 -10.3364 -10.3364 -10.3348 -10.3348 -9.4399 -9.4399 -9.4379 -9.4379 -2.2371 -2.2371 -2.2364 -2.2364 -2.0122 -2.0122 -2.0115 -2.0115 0.4285 0.4285 0.4326 0.4326 0.7452 0.7452 0.7509 0.7509 1.4198 1.4198 1.4320 1.4320 2.3328 2.3328 2.3359 2.3359 3.4116 3.4116 3.4127 3.4127 4.2397 4.2397 4.2408 4.2408 4.2844 4.2844 4.2886 4.2886 12.1730 12.1730 12.1776 12.1776 12.5483 12.5483 12.5601 12.5601 13.0598 13.0598 k = 0.3200 0.5166 0.5379 ( 4354 PWs) bands (ev): -13.1938 -13.1938 -13.1937 -13.1937 -10.3036 -10.3036 -10.3020 -10.3020 -9.4731 -9.4731 -9.4711 -9.4711 -2.2840 -2.2840 -2.2833 -2.2833 -1.9332 -1.9332 -1.9326 -1.9326 0.4006 0.4006 0.4045 0.4045 0.7374 0.7374 0.7435 0.7435 1.4209 1.4209 1.4329 1.4329 2.3228 2.3228 2.3262 2.3262 3.4191 3.4191 3.4201 3.4201 4.2125 4.2125 4.2135 4.2135 4.3137 4.3137 4.3177 4.3177 12.2202 12.2202 12.2247 12.2247 12.5500 12.5500 12.5622 12.5622 13.0382 13.0382 k = 0.3113 0.5026 0.5379 ( 4354 PWs) bands (ev): -13.1976 -13.1976 -13.1975 -13.1975 -10.2695 -10.2695 -10.2678 -10.2678 -9.5065 -9.5065 -9.5045 -9.5045 -2.3330 -2.3330 -2.3323 -2.3323 -1.8530 -1.8530 -1.8525 -1.8525 0.3707 0.3707 0.3743 0.3743 0.7296 0.7296 0.7360 0.7360 1.4235 1.4235 1.4353 1.4353 2.3143 2.3143 2.3179 2.3179 3.4257 3.4257 3.4264 3.4264 4.1863 4.1863 4.1874 4.1874 4.3442 4.3442 4.3481 4.3481 12.2624 12.2624 12.2667 12.2667 12.5479 12.5479 12.5604 12.5604 13.0226 13.0226 k = 0.3027 0.4887 0.5379 ( 4354 PWs) bands (ev): -13.2015 -13.2015 -13.2014 -13.2014 -10.2342 -10.2342 -10.2324 -10.2324 -9.5398 -9.5398 -9.5378 -9.5378 -2.3839 -2.3839 -2.3833 -2.3833 -1.7717 -1.7717 -1.7714 -1.7714 0.3389 0.3389 0.3422 0.3422 0.7217 0.7217 0.7284 0.7284 1.4276 1.4276 1.4392 1.4392 2.3074 2.3074 2.3111 2.3111 3.4313 3.4313 3.4318 3.4318 4.1615 4.1615 4.1625 4.1625 4.3758 4.3758 4.3795 4.3795 12.2979 12.2979 12.3018 12.3018 12.5413 12.5413 12.5540 12.5540 13.0147 13.0147 k = 0.2940 0.4747 0.5379 ( 4342 PWs) bands (ev): -13.2055 -13.2055 -13.2054 -13.2054 -10.1976 -10.1976 -10.1958 -10.1958 -9.5731 -9.5731 -9.5711 -9.5711 -2.4368 -2.4368 -2.4362 -2.4362 -1.6898 -1.6898 -1.6897 -1.6897 0.3054 0.3054 0.3084 0.3084 0.7139 0.7139 0.7209 0.7209 1.4332 1.4332 1.4445 1.4445 2.3022 2.3022 2.3061 2.3061 3.4359 3.4359 3.4361 3.4361 4.1379 4.1379 4.1389 4.1389 4.4083 4.4083 4.4119 4.4119 12.3246 12.3246 12.3282 12.3282 12.5298 12.5298 12.5427 12.5427 13.0165 13.0165 k = 0.2854 0.4608 0.5379 ( 4338 PWs) bands (ev): -13.2097 -13.2097 -13.2096 -13.2096 -10.1599 -10.1599 -10.1580 -10.1580 -9.6062 -9.6062 -9.6042 -9.6042 -2.4915 -2.4915 -2.4910 -2.4910 -1.6076 -1.6076 -1.6075 -1.6075 0.2704 0.2704 0.2731 0.2731 0.7060 0.7060 0.7133 0.7133 1.4403 1.4403 1.4513 1.4513 2.2987 2.2987 2.3029 2.3029 3.4395 3.4395 3.4396 3.4396 4.1158 4.1158 4.1167 4.1167 4.4418 4.4418 4.4452 4.4452 12.3413 12.3413 12.3444 12.3444 12.5131 12.5131 12.5261 12.5261 13.0291 13.0291 k = 0.2767 0.4468 0.5379 ( 4334 PWs) bands (ev): -13.2139 -13.2139 -13.2138 -13.2138 -10.1211 -10.1211 -10.1192 -10.1192 -9.6390 -9.6390 -9.6370 -9.6370 -2.5479 -2.5479 -2.5475 -2.5475 -1.5254 -1.5254 -1.5252 -1.5252 0.2341 0.2341 0.2365 0.2365 0.6982 0.6982 0.7059 0.7059 1.4489 1.4489 1.4595 1.4595 2.2972 2.2972 2.3015 2.3015 3.4420 3.4420 3.4425 3.4425 4.0951 4.0951 4.0959 4.0959 4.4760 4.4760 4.4792 4.4792 12.3478 12.3478 12.3505 12.3505 12.4911 12.4911 12.5040 12.5040 13.0525 13.0525 k = 0.2681 0.4328 0.5379 ( 4324 PWs) bands (ev): -13.2183 -13.2183 -13.2181 -13.2181 -10.0813 -10.0813 -10.0793 -10.0793 -9.6714 -9.6714 -9.6694 -9.6694 -2.6060 -2.6060 -2.6057 -2.6057 -1.4436 -1.4436 -1.4431 -1.4431 0.1967 0.1967 0.1988 0.1988 0.6905 0.6905 0.6985 0.6985 1.4588 1.4588 1.4690 1.4690 2.2976 2.2976 2.3021 2.3021 3.4437 3.4437 3.4445 3.4445 4.0758 4.0758 4.0766 4.0766 4.5107 4.5107 4.5138 4.5138 12.3449 12.3449 12.3471 12.3471 12.4637 12.4637 12.4765 12.4765 13.0856 13.0856 k = 0.2594 0.4189 0.5379 ( 4324 PWs) bands (ev): -13.2227 -13.2227 -13.2226 -13.2226 -10.0405 -10.0405 -10.0385 -10.0385 -9.7034 -9.7034 -9.7014 -9.7014 -2.6656 -2.6656 -2.6654 -2.6654 -1.3622 -1.3622 -1.3615 -1.3615 0.1584 0.1584 0.1602 0.1602 0.6829 0.6829 0.6913 0.6913 1.4699 1.4699 1.4798 1.4798 2.2999 2.2999 2.3047 2.3047 3.4446 3.4446 3.4457 3.4457 4.0579 4.0579 4.0586 4.0586 4.5459 4.5459 4.5488 4.5488 12.3342 12.3342 12.3361 12.3361 12.4312 12.4312 12.4437 12.4437 13.1264 13.1264 k = 0.2508 0.4049 0.5379 ( 4334 PWs) bands (ev): -13.2272 -13.2272 -13.2271 -13.2271 -9.9989 -9.9989 -9.9968 -9.9968 -9.7348 -9.7348 -9.7328 -9.7328 -2.7267 -2.7267 -2.7265 -2.7265 -1.2817 -1.2817 -1.2807 -1.2807 0.1195 0.1195 0.1210 0.1210 0.6756 0.6756 0.6843 0.6843 1.4822 1.4822 1.4917 1.4917 2.3044 2.3044 2.3094 2.3094 3.4449 3.4449 3.4463 3.4463 4.0415 4.0415 4.0421 4.0421 4.5814 4.5814 4.5841 4.5841 12.3176 12.3176 12.3193 12.3193 12.3939 12.3939 12.4061 12.4061 13.1723 13.1723 k = 0.2421 0.3909 0.5379 ( 4334 PWs) bands (ev): -13.2318 -13.2318 -13.2316 -13.2316 -9.9565 -9.9565 -9.9544 -9.9544 -9.7655 -9.7655 -9.7636 -9.7636 -2.7889 -2.7889 -2.7889 -2.7889 -1.2024 -1.2024 -1.2011 -1.2011 0.0801 0.0801 0.0814 0.0814 0.6685 0.6685 0.6775 0.6775 1.4956 1.4956 1.5047 1.5047 2.3109 2.3109 2.3161 2.3161 3.4445 3.4445 3.4464 3.4464 4.0265 4.0265 4.0270 4.0270 4.6172 4.6172 4.6196 4.6196 12.2969 12.2969 12.2985 12.2985 12.3524 12.3524 12.3642 12.3642 13.2209 13.2209 k = 0.2335 0.3770 0.5379 ( 4336 PWs) bands (ev): -13.2364 -13.2364 -13.2362 -13.2362 -9.9134 -9.9134 -9.9113 -9.9113 -9.7956 -9.7956 -9.7937 -9.7937 -2.8523 -2.8523 -2.8523 -2.8523 -1.1246 -1.1246 -1.1230 -1.1230 0.0406 0.0406 0.0416 0.0416 0.6617 0.6617 0.6711 0.6711 1.5099 1.5099 1.5186 1.5186 2.3194 2.3194 2.3248 2.3248 3.4437 3.4437 3.4459 3.4459 4.0128 4.0128 4.0133 4.0133 4.6529 4.6529 4.6551 4.6551 12.2733 12.2733 12.2751 12.2751 12.3073 12.3073 12.3184 12.3184 13.2694 13.2694 k = 0.2248 0.3630 0.5379 ( 4340 PWs) bands (ev): -13.2410 -13.2410 -13.2409 -13.2409 -9.8698 -9.8698 -9.8676 -9.8676 -9.8249 -9.8249 -9.8231 -9.8231 -2.9167 -2.9167 -2.9166 -2.9166 -1.0485 -1.0485 -1.0465 -1.0465 0.0011 0.0011 0.0019 0.0019 0.6554 0.6554 0.6650 0.6650 1.5251 1.5251 1.5334 1.5334 2.3299 2.3299 2.3355 2.3355 3.4425 3.4425 3.4451 3.4451 4.0004 4.0004 4.0008 4.0008 4.6886 4.6886 4.6906 4.6906 12.2468 12.2468 12.2504 12.2504 12.2607 12.2607 12.2694 12.2694 13.3154 13.3154 k = 0.2162 0.3491 0.5379 ( 4348 PWs) bands (ev): -13.2457 -13.2457 -13.2455 -13.2455 -9.8535 -9.8535 -9.8517 -9.8517 -9.8255 -9.8255 -9.8234 -9.8234 -2.9819 -2.9819 -2.9817 -2.9817 -0.9744 -0.9744 -0.9721 -0.9721 -0.0382 -0.0382 -0.0376 -0.0376 0.6495 0.6495 0.6594 0.6594 1.5409 1.5409 1.5489 1.5489 2.3423 2.3423 2.3481 2.3481 3.4411 3.4411 3.4440 3.4440 3.9892 3.9892 3.9896 3.9896 4.7240 4.7240 4.7258 4.7258 12.2046 12.2046 12.2173 12.2173 12.2258 12.2258 12.2267 12.2267 13.3561 13.3561 k = 0.2075 0.3351 0.5379 ( 4340 PWs) bands (ev): -13.2503 -13.2503 -13.2502 -13.2502 -9.8811 -9.8811 -9.8793 -9.8793 -9.7810 -9.7810 -9.7789 -9.7789 -3.0476 -3.0476 -3.0473 -3.0473 -0.9027 -0.9027 -0.9001 -0.9001 -0.0771 -0.0771 -0.0766 -0.0766 0.6441 0.6441 0.6544 0.6544 1.5574 1.5574 1.5649 1.5649 2.3565 2.3565 2.3625 2.3625 3.4395 3.4395 3.4428 3.4428 3.9793 3.9793 3.9795 3.9795 4.7591 4.7591 4.7606 4.7606 12.1522 12.1522 12.1636 12.1636 12.2010 12.2010 12.2012 12.2012 13.3887 13.3887 k = 0.1989 0.3211 0.5379 ( 4332 PWs) bands (ev): -13.2549 -13.2549 -13.2548 -13.2548 -9.9079 -9.9079 -9.9061 -9.9061 -9.7362 -9.7362 -9.7341 -9.7341 -3.1137 -3.1137 -3.1133 -3.1133 -0.8335 -0.8335 -0.8305 -0.8305 -0.1153 -0.1153 -0.1150 -0.1150 0.6394 0.6394 0.6499 0.6499 1.5743 1.5743 1.5815 1.5815 2.3723 2.3723 2.3785 2.3785 3.4379 3.4379 3.4416 3.4416 3.9704 3.9704 3.9706 3.9706 4.7937 4.7937 4.7950 4.7950 12.0975 12.0975 12.1083 12.1083 12.1772 12.1772 12.1773 12.1773 13.4103 13.4103 k = 0.1902 0.3072 0.5379 ( 4328 PWs) bands (ev): -13.2596 -13.2596 -13.2594 -13.2594 -9.9337 -9.9337 -9.9320 -9.9320 -9.6914 -9.6914 -9.6892 -9.6892 -3.1799 -3.1799 -3.1794 -3.1794 -0.7672 -0.7672 -0.7638 -0.7638 -0.1528 -0.1528 -0.1526 -0.1526 0.6354 0.6354 0.6462 0.6462 1.5916 1.5916 1.5984 1.5984 2.3897 2.3897 2.3961 2.3961 3.4365 3.4365 3.4405 3.4405 3.9626 3.9626 3.9627 3.9627 4.8276 4.8276 4.8288 4.8288 12.0417 12.0417 12.0519 12.0519 12.1548 12.1548 12.1549 12.1549 13.4188 13.4188 k = 0.1816 0.2932 0.5379 ( 4332 PWs) bands (ev): -13.2641 -13.2641 -13.2640 -13.2640 -9.9585 -9.9585 -9.9569 -9.9569 -9.6465 -9.6465 -9.6444 -9.6444 -3.2460 -3.2460 -3.2455 -3.2455 -0.7039 -0.7039 -0.7002 -0.7002 -0.1894 -0.1894 -0.1893 -0.1893 0.6322 0.6322 0.6432 0.6432 1.6091 1.6091 1.6156 1.6156 2.4083 2.4083 2.4148 2.4148 3.4352 3.4352 3.4396 3.4396 3.9557 3.9557 3.9558 3.9558 4.8609 4.8609 4.8619 4.8619 11.9853 11.9853 11.9950 11.9950 12.1340 12.1340 12.1342 12.1342 13.4131 13.4131 k = 0.1729 0.2792 0.5379 ( 4332 PWs) bands (ev): -13.2686 -13.2686 -13.2685 -13.2685 -9.9823 -9.9823 -9.9808 -9.9808 -9.6018 -9.6018 -9.5997 -9.5997 -3.3118 -3.3118 -3.3112 -3.3112 -0.6439 -0.6439 -0.6398 -0.6398 -0.2249 -0.2249 -0.2249 -0.2249 0.6299 0.6299 0.6410 0.6410 1.6267 1.6267 1.6328 1.6328 2.4280 2.4280 2.4347 2.4347 3.4345 3.4345 3.4391 3.4391 3.9498 3.9498 3.9498 3.9498 4.8933 4.8933 4.8941 4.8941 11.9289 11.9289 11.9381 11.9381 12.1152 12.1152 12.1154 12.1154 13.3936 13.3936 k = 0.1643 0.2653 0.5379 ( 4336 PWs) bands (ev): -13.2730 -13.2730 -13.2729 -13.2729 -10.0051 -10.0051 -10.0036 -10.0036 -9.5574 -9.5574 -9.5553 -9.5553 -3.3769 -3.3769 -3.3763 -3.3763 -0.5872 -0.5872 -0.5829 -0.5829 -0.2593 -0.2593 -0.2592 -0.2592 0.6285 0.6285 0.6397 0.6397 1.6444 1.6444 1.6501 1.6501 2.4484 2.4484 2.4552 2.4552 3.4342 3.4342 3.4392 3.4392 3.9446 3.9446 3.9446 3.9446 4.9247 4.9247 4.9254 4.9254 11.8728 11.8728 11.8815 11.8815 12.0985 12.0985 12.0988 12.0988 13.3623 13.3623 k = 0.1557 0.2513 0.5379 ( 4344 PWs) bands (ev): -13.2773 -13.2773 -13.2772 -13.2772 -10.0268 -10.0268 -10.0253 -10.0253 -9.5135 -9.5135 -9.5114 -9.5114 -3.4413 -3.4413 -3.4406 -3.4406 -0.5342 -0.5342 -0.5296 -0.5296 -0.2923 -0.2923 -0.2922 -0.2922 0.6281 0.6281 0.6394 0.6394 1.6619 1.6619 1.6673 1.6673 2.4693 2.4693 2.4762 2.4762 3.4347 3.4347 3.4399 3.4399 3.9402 3.9402 3.9403 3.9403 4.9551 4.9551 4.9556 4.9556 11.8174 11.8174 11.8257 11.8257 12.0840 12.0840 12.0844 12.0844 13.3220 13.3220 k = 0.1470 0.2374 0.5379 ( 4352 PWs) bands (ev): -13.2815 -13.2815 -13.2814 -13.2814 -10.0474 -10.0474 -10.0460 -10.0460 -9.4702 -9.4702 -9.4682 -9.4682 -3.5045 -3.5045 -3.5037 -3.5037 -0.4848 -0.4848 -0.4800 -0.4800 -0.3240 -0.3240 -0.3238 -0.3238 0.6287 0.6287 0.6400 0.6400 1.6792 1.6792 1.6843 1.6843 2.4904 2.4904 2.4973 2.4973 3.4360 3.4360 3.4415 3.4415 3.9365 3.9365 3.9366 3.9366 4.9844 4.9844 4.9846 4.9846 11.7632 11.7632 11.7710 11.7710 12.0718 12.0718 12.0722 12.0722 13.2754 13.2754 k = 0.1384 0.2234 0.5379 ( 4352 PWs) bands (ev): -13.2856 -13.2856 -13.2855 -13.2855 -10.0669 -10.0669 -10.0656 -10.0656 -9.4278 -9.4278 -9.4259 -9.4259 -3.5663 -3.5663 -3.5655 -3.5655 -0.4393 -0.4393 -0.4341 -0.4341 -0.3542 -0.3542 -0.3539 -0.3539 0.6304 0.6304 0.6416 0.6416 1.6962 1.6962 1.7009 1.7009 2.5113 2.5113 2.5182 2.5182 3.4383 3.4383 3.4440 3.4440 3.9334 3.9334 3.9335 3.9335 5.0123 5.0123 5.0125 5.0125 11.7104 11.7104 11.7178 11.7178 12.0619 12.0619 12.0624 12.0624 13.2249 13.2249 k = 0.1297 0.2094 0.5379 ( 4356 PWs) bands (ev): -13.2895 -13.2895 -13.2894 -13.2894 -10.0852 -10.0852 -10.0840 -10.0840 -9.3864 -9.3864 -9.3846 -9.3846 -3.6264 -3.6264 -3.6256 -3.6256 -0.3981 -0.3981 -0.3924 -0.3924 -0.3826 -0.3826 -0.3818 -0.3818 0.6331 0.6331 0.6441 0.6441 1.7127 1.7127 1.7171 1.7171 2.5317 2.5317 2.5387 2.5387 3.4416 3.4416 3.4474 3.4474 3.9309 3.9309 3.9310 3.9310 5.0390 5.0390 5.0390 5.0390 11.6594 11.6594 11.6663 11.6663 12.0542 12.0542 12.0548 12.0548 13.1727 13.1727 k = 0.1211 0.1955 0.5379 ( 4364 PWs) bands (ev): -13.2932 -13.2932 -13.2931 -13.2931 -10.1025 -10.1025 -10.1013 -10.1013 -9.3463 -9.3463 -9.3445 -9.3445 -3.6845 -3.6845 -3.6837 -3.6837 -0.4100 -0.4100 -0.4100 -0.4100 -0.3588 -0.3588 -0.3538 -0.3538 0.6367 0.6367 0.6475 0.6475 1.7287 1.7287 1.7328 1.7328 2.5514 2.5514 2.5583 2.5583 3.4460 3.4460 3.4519 3.4519 3.9289 3.9289 3.9290 3.9290 5.0641 5.0641 5.0642 5.0642 11.6104 11.6104 11.6168 11.6168 12.0486 12.0486 12.0492 12.0492 13.1204 13.1204 k = 0.1124 0.1815 0.5379 ( 4360 PWs) bands (ev): -13.2968 -13.2968 -13.2967 -13.2967 -10.1185 -10.1185 -10.1175 -10.1175 -9.3076 -9.3076 -9.3059 -9.3059 -3.7403 -3.7403 -3.7395 -3.7395 -0.4353 -0.4353 -0.4351 -0.4351 -0.3245 -0.3245 -0.3194 -0.3194 0.6413 0.6413 0.6518 0.6518 1.7441 1.7441 1.7479 1.7479 2.5700 2.5700 2.5768 2.5768 3.4515 3.4515 3.4574 3.4574 3.9273 3.9273 3.9274 3.9274 5.0877 5.0877 5.0879 5.0879 11.5637 11.5637 11.5697 11.5697 12.0450 12.0450 12.0457 12.0457 13.0691 13.0691 k = 0.1038 0.1675 0.5379 ( 4352 PWs) bands (ev): -13.3002 -13.3002 -13.3001 -13.3001 -10.1334 -10.1334 -10.1325 -10.1325 -9.2706 -9.2706 -9.2690 -9.2690 -3.7935 -3.7935 -3.7927 -3.7927 -0.4589 -0.4589 -0.4587 -0.4587 -0.2937 -0.2937 -0.2886 -0.2886 0.6466 0.6466 0.6567 0.6567 1.7587 1.7587 1.7623 1.7623 2.5874 2.5874 2.5940 2.5940 3.4580 3.4580 3.4639 3.4639 3.9260 3.9260 3.9262 3.9262 5.1097 5.1097 5.1100 5.1100 11.5195 11.5195 11.5250 11.5250 12.0431 12.0431 12.0438 12.0438 13.0201 13.0201 k = 0.0951 0.1536 0.5379 ( 4344 PWs) bands (ev): -13.3033 -13.3033 -13.3032 -13.3032 -10.1472 -10.1472 -10.1463 -10.1463 -9.2355 -9.2355 -9.2339 -9.2339 -3.8439 -3.8439 -3.8431 -3.8431 -0.4807 -0.4807 -0.4805 -0.4805 -0.2662 -0.2662 -0.2614 -0.2614 0.6526 0.6526 0.6622 0.6622 1.7726 1.7726 1.7758 1.7758 2.6034 2.6034 2.6097 2.6097 3.4655 3.4655 3.4713 3.4713 3.9251 3.9251 3.9253 3.9253 5.1302 5.1302 5.1306 5.1306 11.4781 11.4781 11.4831 11.4831 12.0428 12.0428 12.0435 12.0435 12.9739 12.9739 k = 0.0865 0.1396 0.5379 ( 4344 PWs) bands (ev): -13.3063 -13.3063 -13.3062 -13.3062 -10.1597 -10.1597 -10.1589 -10.1589 -9.2025 -9.2025 -9.2010 -9.2010 -3.8911 -3.8911 -3.8904 -3.8904 -0.5008 -0.5008 -0.5006 -0.5006 -0.2421 -0.2421 -0.2375 -0.2375 0.6591 0.6591 0.6681 0.6681 1.7855 1.7855 1.7885 1.7885 2.6178 2.6178 2.6238 2.6238 3.4738 3.4738 3.4793 3.4793 3.9245 3.9245 3.9247 3.9247 5.1490 5.1490 5.1494 5.1494 11.4396 11.4396 11.4442 11.4442 12.0436 12.0436 12.0443 12.0443 12.9314 12.9314 k = 0.0778 0.1257 0.5379 ( 4348 PWs) bands (ev): -13.3090 -13.3090 -13.3089 -13.3089 -10.1711 -10.1711 -10.1704 -10.1704 -9.1717 -9.1717 -9.1704 -9.1704 -3.9348 -3.9348 -3.9341 -3.9341 -0.5190 -0.5190 -0.5188 -0.5188 -0.2211 -0.2211 -0.2167 -0.2167 0.6658 0.6658 0.6741 0.6741 1.7975 1.7975 1.8001 1.8001 2.6306 2.6306 2.6362 2.6362 3.4827 3.4827 3.4878 3.4878 3.9241 3.9241 3.9243 3.9243 5.1661 5.1661 5.1666 5.1666 11.4043 11.4043 11.4084 11.4084 12.0453 12.0453 12.0459 12.0459 12.8929 12.8929 k = 0.0692 0.1117 0.5379 ( 4344 PWs) bands (ev): -13.3114 -13.3114 -13.3113 -13.3113 -10.1813 -10.1813 -10.1806 -10.1806 -9.1435 -9.1435 -9.1423 -9.1423 -3.9748 -3.9748 -3.9742 -3.9742 -0.5353 -0.5353 -0.5351 -0.5351 -0.2029 -0.2029 -0.1989 -0.1989 0.6726 0.6726 0.6802 0.6802 1.8085 1.8085 1.8108 1.8108 2.6418 2.6418 2.6469 2.6469 3.4918 3.4918 3.4966 3.4966 3.9238 3.9238 3.9240 3.9240 5.1815 5.1815 5.1820 5.1820 11.3722 11.3722 11.3759 11.3759 12.0475 12.0475 12.0482 12.0482 12.8588 12.8588 k = 0.0605 0.0977 0.5379 ( 4352 PWs) bands (ev): -13.3136 -13.3136 -13.3135 -13.3135 -10.1903 -10.1903 -10.1897 -10.1897 -9.1181 -9.1181 -9.1170 -9.1170 -4.0108 -4.0108 -4.0102 -4.0102 -0.5498 -0.5498 -0.5496 -0.5496 -0.1874 -0.1874 -0.1838 -0.1838 0.6793 0.6793 0.6860 0.6860 1.8183 1.8183 1.8203 1.8203 2.6515 2.6515 2.6561 2.6561 3.5009 3.5009 3.5053 3.5053 3.9237 3.9237 3.9239 3.9239 5.1952 5.1952 5.1956 5.1956 11.3437 11.3437 11.3469 11.3469 12.0500 12.0500 12.0506 12.0506 12.8293 12.8293 k = 0.0519 0.0838 0.5379 ( 4354 PWs) bands (ev): -13.3155 -13.3155 -13.3154 -13.3154 -10.1981 -10.1981 -10.1975 -10.1975 -9.0956 -9.0956 -9.0946 -9.0946 -4.0426 -4.0426 -4.0420 -4.0420 -0.5623 -0.5623 -0.5622 -0.5622 -0.1744 -0.1744 -0.1712 -0.1712 0.6856 0.6856 0.6915 0.6915 1.8269 1.8269 1.8287 1.8287 2.6596 2.6596 2.6636 2.6636 3.5097 3.5097 3.5136 3.5136 3.9237 3.9237 3.9238 3.9238 5.2070 5.2070 5.2075 5.2075 11.3187 11.3187 11.3214 11.3214 12.0525 12.0525 12.0530 12.0530 12.8045 12.8045 k = 0.0432 0.0698 0.5379 ( 4354 PWs) bands (ev): -13.3171 -13.3171 -13.3171 -13.3171 -10.2046 -10.2046 -10.2042 -10.2042 -9.0761 -9.0761 -9.0753 -9.0753 -4.0698 -4.0698 -4.0694 -4.0694 -0.5730 -0.5730 -0.5729 -0.5729 -0.1637 -0.1637 -0.1610 -0.1610 0.6914 0.6914 0.6963 0.6963 1.8344 1.8344 1.8358 1.8358 2.6663 2.6663 2.6697 2.6697 3.5179 3.5179 3.5212 3.5212 3.9238 3.9238 3.9239 3.9239 5.2171 5.2171 5.2175 5.2175 11.2973 11.2973 11.2996 11.2996 12.0547 12.0547 12.0552 12.0552 12.7842 12.7842 k = 0.0346 0.0558 0.5379 ( 4350 PWs) bands (ev): -13.3185 -13.3185 -13.3184 -13.3184 -10.2100 -10.2100 -10.2097 -10.2097 -9.0600 -9.0600 -9.0594 -9.0594 -4.0924 -4.0924 -4.0920 -4.0920 -0.5817 -0.5817 -0.5816 -0.5816 -0.1552 -0.1552 -0.1530 -0.1530 0.6965 0.6965 0.7005 0.7005 1.8405 1.8405 1.8417 1.8417 2.6716 2.6716 2.6744 2.6744 3.5251 3.5251 3.5278 3.5278 3.9238 3.9238 3.9239 3.9239 5.2254 5.2254 5.2257 5.2257 11.2798 11.2798 11.2817 11.2817 12.0566 12.0566 12.0570 12.0570 12.7683 12.7683 k = 0.0259 0.0419 0.5379 ( 4354 PWs) bands (ev): -13.3195 -13.3195 -13.3195 -13.3195 -10.2142 -10.2142 -10.2139 -10.2139 -9.0473 -9.0473 -9.0468 -9.0468 -4.1101 -4.1101 -4.1098 -4.1098 -0.5885 -0.5885 -0.5884 -0.5884 -0.1486 -0.1486 -0.1469 -0.1469 0.7007 0.7007 0.7037 0.7037 1.8454 1.8454 1.8463 1.8463 2.6757 2.6757 2.6778 2.6778 3.5311 3.5311 3.5331 3.5331 3.9239 3.9239 3.9240 3.9240 5.2318 5.2318 5.2321 5.2321 11.2661 11.2661 11.2675 11.2675 12.0581 12.0581 12.0584 12.0584 12.7564 12.7564 k = 0.0173 0.0279 0.5379 ( 4360 PWs) bands (ev): -13.3203 -13.3203 -13.3203 -13.3203 -10.2172 -10.2172 -10.2170 -10.2170 -9.0381 -9.0381 -9.0378 -9.0378 -4.1229 -4.1229 -4.1227 -4.1227 -0.5934 -0.5934 -0.5933 -0.5933 -0.1439 -0.1439 -0.1428 -0.1428 0.7039 0.7039 0.7060 0.7060 1.8490 1.8490 1.8495 1.8495 2.6787 2.6787 2.6801 2.6801 3.5356 3.5356 3.5370 3.5370 3.9240 3.9240 3.9241 3.9241 5.2364 5.2364 5.2366 5.2366 11.2564 11.2564 11.2573 11.2573 12.0592 12.0592 12.0594 12.0594 12.7482 12.7482 k = 0.0086 0.0140 0.5379 ( 4368 PWs) bands (ev): -13.3207 -13.3207 -13.3207 -13.3207 -10.2189 -10.2189 -10.2188 -10.2188 -9.0325 -9.0325 -9.0323 -9.0323 -4.1306 -4.1306 -4.1305 -4.1305 -0.5963 -0.5963 -0.5963 -0.5963 -0.1410 -0.1410 -0.1404 -0.1404 0.7061 0.7061 0.7072 0.7072 1.8511 1.8511 1.8514 1.8514 2.6806 2.6806 2.6813 2.6813 3.5385 3.5385 3.5392 3.5392 3.9241 3.9241 3.9241 3.9241 5.2392 5.2392 5.2393 5.2393 11.2506 11.2506 11.2511 11.2511 12.0598 12.0598 12.0599 12.0599 12.7434 12.7434 k = 0.0000 0.0000 0.5379 ( 4372 PWs) bands (ev): -13.3209 -13.3209 -13.3209 -13.3209 -10.2195 -10.2195 -10.2195 -10.2195 -9.0306 -9.0306 -9.0306 -9.0306 -4.1331 -4.1331 -4.1331 -4.1331 -0.5972 -0.5972 -0.5972 -0.5972 -0.1399 -0.1399 -0.1399 -0.1399 0.7072 0.7072 0.7072 0.7072 1.8520 1.8520 1.8520 1.8520 2.6815 2.6815 2.6815 2.6815 3.5398 3.5398 3.5398 3.5398 3.9241 3.9241 3.9241 3.9241 5.2402 5.2402 5.2402 5.2402 11.2489 11.2489 11.2489 11.2489 12.0601 12.0601 12.0601 12.0601 12.7418 12.7418 k = 0.0000 0.0000 0.5379 ( 4372 PWs) bands (ev): -13.3209 -13.3209 -13.3209 -13.3209 -10.2195 -10.2195 -10.2195 -10.2195 -9.0306 -9.0306 -9.0306 -9.0306 -4.1331 -4.1331 -4.1331 -4.1331 -0.5972 -0.5972 -0.5972 -0.5972 -0.1399 -0.1399 -0.1399 -0.1399 0.7072 0.7072 0.7072 0.7072 1.8520 1.8520 1.8520 1.8520 2.6815 2.6815 2.6815 2.6815 3.5398 3.5398 3.5398 3.5398 3.9241 3.9241 3.9241 3.9241 5.2402 5.2402 5.2402 5.2402 11.2489 11.2489 11.2489 11.2489 12.0601 12.0601 12.0601 12.0601 12.7418 12.7418 k = 0.0000 0.0000 0.5216 ( 4360 PWs) bands (ev): -13.3351 -13.3351 -13.3068 -13.3068 -10.2594 -10.2594 -10.1785 -10.1785 -9.0317 -9.0317 -9.0300 -9.0300 -4.1372 -4.1372 -4.1263 -4.1263 -0.6209 -0.6209 -0.5733 -0.5733 -0.2350 -0.2350 -0.0570 -0.0570 0.7024 0.7024 0.7243 0.7243 1.8288 1.8288 1.8704 1.8704 2.6807 2.6807 2.6841 2.6841 3.5308 3.5308 3.5484 3.5484 3.8984 3.8984 3.9487 3.9487 5.2192 5.2192 5.2599 5.2599 11.2534 11.2534 11.2544 11.2544 12.0524 12.0524 12.0670 12.0670 12.7098 12.7098 k = 0.0000 0.0000 0.5053 ( 4370 PWs) bands (ev): -13.3495 -13.3495 -13.2929 -13.2929 -10.2982 -10.2982 -10.1364 -10.1364 -9.0334 -9.0334 -9.0299 -9.0299 -4.1386 -4.1386 -4.1169 -4.1169 -0.6441 -0.6441 -0.5490 -0.5490 -0.3391 -0.3391 0.0106 0.0106 0.7070 0.7070 0.7565 0.7565 1.8010 1.8010 1.8840 1.8840 2.6816 2.6816 2.6888 2.6888 3.5216 3.5216 3.5566 3.5566 3.8719 3.8719 3.9720 3.9720 5.1971 5.1971 5.2783 5.2783 11.2680 11.2680 11.2699 11.2699 12.0447 12.0447 12.0720 12.0720 12.6756 12.6756 k = 0.0000 0.0000 0.4890 ( 4360 PWs) bands (ev): -13.3640 -13.3640 -13.2792 -13.2792 -10.3358 -10.3358 -10.0934 -10.0934 -9.0356 -9.0356 -9.0304 -9.0304 -4.1375 -4.1375 -4.1048 -4.1048 -0.6669 -0.6669 -0.5247 -0.5247 -0.4494 -0.4494 0.0609 0.0609 0.7186 0.7186 0.8053 0.8053 1.7688 1.7688 1.8925 1.8925 2.6841 2.6841 2.6957 2.6957 3.5120 3.5120 3.5644 3.5644 3.8446 3.8446 3.9941 3.9941 5.1739 5.1739 5.2955 5.2955 11.2925 11.2925 11.2954 11.2954 12.0375 12.0375 12.0734 12.0734 12.6416 12.6416 k = 0.0000 0.0000 0.4727 ( 4358 PWs) bands (ev): -13.3785 -13.3785 -13.2657 -13.2657 -10.3722 -10.3722 -10.0494 -10.0494 -9.0383 -9.0383 -9.0314 -9.0314 -4.1338 -4.1338 -4.0900 -4.0900 -0.6890 -0.6890 -0.5644 -0.5644 -0.5000 -0.5000 0.0945 0.0945 0.7353 0.7353 0.8699 0.8699 1.7323 1.7323 1.8960 1.8960 2.6879 2.6879 2.7052 2.7052 3.5022 3.5022 3.5718 3.5718 3.8168 3.8168 4.0148 4.0148 5.1496 5.1496 5.3113 5.3113 11.3267 11.3267 11.3306 11.3306 12.0311 12.0311 12.0693 12.0693 12.6108 12.6108 k = 0.0000 0.0000 0.4564 ( 4348 PWs) bands (ev): -13.3930 -13.3930 -13.2525 -13.2525 -10.4074 -10.4074 -10.0046 -10.0046 -9.0415 -9.0415 -9.0329 -9.0329 -4.1277 -4.1277 -4.0727 -4.0727 -0.7105 -0.7105 -0.6817 -0.6817 -0.4756 -0.4756 0.1136 0.1136 0.7560 0.7560 0.9476 0.9476 1.6918 1.6918 1.8942 1.8942 2.6929 2.6929 2.7173 2.7173 3.4922 3.4922 3.5788 3.5788 3.7889 3.7889 4.0343 4.0343 5.1245 5.1245 5.3259 5.3259 11.3705 11.3705 11.3753 11.3753 12.0256 12.0256 12.0571 12.0571 12.5862 12.5862 k = 0.0000 0.0000 0.4401 ( 4344 PWs) bands (ev): -13.4075 -13.4075 -13.2397 -13.2397 -10.4413 -10.4413 -9.9590 -9.9590 -9.0452 -9.0452 -9.0349 -9.0349 -4.1192 -4.1192 -4.0527 -4.0527 -0.8006 -0.8006 -0.7312 -0.7312 -0.4513 -0.4513 0.1215 0.1215 0.7795 0.7795 1.0345 1.0345 1.6475 1.6475 1.8873 1.8873 2.6990 2.6990 2.7324 2.7324 3.4820 3.4820 3.5853 3.5853 3.7610 3.7610 4.0525 4.0525 5.0984 5.0984 5.3391 5.3391 11.4235 11.4235 11.4292 11.4292 12.0210 12.0210 12.0348 12.0348 12.5709 12.5709 k = 0.0000 0.0000 0.4238 ( 4340 PWs) bands (ev): -13.4220 -13.4220 -13.2271 -13.2271 -10.4739 -10.4739 -9.9128 -9.9128 -9.0493 -9.0493 -9.0374 -9.0374 -4.1084 -4.1084 -4.0303 -4.0303 -0.9202 -0.9202 -0.7511 -0.7511 -0.4271 -0.4271 0.1214 0.1214 0.8052 0.8052 1.1270 1.1270 1.5996 1.5996 1.8753 1.8753 2.7059 2.7059 2.7509 2.7509 3.4717 3.4717 3.5914 3.5914 3.7336 3.7336 4.0696 4.0696 5.0717 5.0717 5.3510 5.3510 11.4853 11.4853 11.4920 11.4920 12.0016 12.0016 12.0173 12.0173 12.5662 12.5662 k = 0.0000 0.0000 0.4075 ( 4340 PWs) bands (ev): -13.4363 -13.4363 -13.2149 -13.2149 -10.5053 -10.5053 -9.8659 -9.8659 -9.0538 -9.0538 -9.0402 -9.0402 -4.0955 -4.0955 -4.0055 -4.0055 -1.0397 -1.0397 -0.7700 -0.7700 -0.4033 -0.4033 0.1156 0.1156 0.8327 0.8327 1.2223 1.2223 1.5483 1.5483 1.8580 1.8580 2.7136 2.7136 2.7729 2.7729 3.4612 3.4612 3.5970 3.5970 3.7068 3.7068 4.0855 4.0855 5.0443 5.0443 5.3617 5.3617 11.5555 11.5555 11.5633 11.5633 11.9578 11.9578 12.0144 12.0144 12.5724 12.5724 k = 0.0000 0.0000 0.3912 ( 4350 PWs) bands (ev): -13.4505 -13.4505 -13.2031 -13.2031 -10.5354 -10.5354 -9.8187 -9.8187 -9.0586 -9.0586 -9.0435 -9.0435 -4.0806 -4.0806 -3.9784 -3.9784 -1.1585 -1.1585 -0.7880 -0.7880 -0.3797 -0.3797 0.1060 0.1060 0.8614 0.8614 1.3178 1.3178 1.4941 1.4941 1.8358 1.8358 2.7219 2.7219 2.7989 2.7989 3.4507 3.4507 3.6021 3.6021 3.6811 3.6811 4.1005 4.1005 5.0164 5.0164 5.3712 5.3712 11.6337 11.6337 11.6427 11.6427 11.9050 11.9050 12.0121 12.0121 12.5883 12.5883 k = 0.0000 0.0000 0.3749 ( 4348 PWs) bands (ev): -13.4645 -13.4645 -13.1917 -13.1917 -10.5641 -10.5641 -9.7710 -9.7710 -9.0638 -9.0638 -9.0471 -9.0471 -4.0639 -4.0639 -3.9492 -3.9492 -1.2762 -1.2762 -0.8049 -0.8049 -0.3566 -0.3566 0.0939 0.0939 0.8913 0.8913 1.4116 1.4116 1.4371 1.4371 1.8088 1.8088 2.7306 2.7306 2.8291 2.8291 3.4401 3.4401 3.6066 3.6066 3.6567 3.6567 4.1147 4.1147 4.9882 4.9882 5.3796 5.3796 11.7193 11.7193 11.7297 11.7297 11.8453 11.8453 12.0102 12.0102 12.6123 12.6123 k = 0.0000 0.0000 0.3586 ( 4340 PWs) bands (ev): -13.4782 -13.4782 -13.1807 -13.1807 -10.5916 -10.5916 -9.7232 -9.7232 -9.0692 -9.0692 -9.0511 -9.0511 -4.0455 -4.0455 -3.9179 -3.9179 -1.3924 -1.3924 -0.8207 -0.8207 -0.3341 -0.3341 0.0802 0.0802 0.9218 0.9218 1.3777 1.3777 1.5025 1.5025 1.7771 1.7771 2.7396 2.7396 2.8638 2.8638 3.4296 3.4296 3.6101 3.6101 3.6344 3.6344 4.1281 4.1281 4.9597 4.9597 5.3869 5.3869 11.7802 11.7802 11.8117 11.8117 11.8239 11.8239 12.0084 12.0084 12.6430 12.6430 k = 0.0000 0.0000 0.3423 ( 4336 PWs) bands (ev): -13.4917 -13.4917 -13.1701 -13.1701 -10.6178 -10.6178 -9.6754 -9.6754 -9.0748 -9.0748 -9.0553 -9.0553 -4.0256 -4.0256 -3.8848 -3.8848 -1.5065 -1.5065 -0.8354 -0.8354 -0.3121 -0.3121 0.0654 0.0654 0.9530 0.9530 1.3162 1.3162 1.5891 1.5891 1.7412 1.7412 2.7488 2.7488 2.9032 2.9032 3.4191 3.4191 3.6066 3.6066 3.6201 3.6201 4.1408 4.1408 4.9312 4.9312 5.3932 5.3932 11.7117 11.7117 11.9100 11.9100 11.9247 11.9247 12.0066 12.0066 12.6789 12.6789 k = 0.0000 0.0000 0.3260 ( 4338 PWs) bands (ev): -13.5049 -13.5049 -13.1599 -13.1599 -10.6427 -10.6427 -9.6276 -9.6276 -9.0806 -9.0806 -9.0597 -9.0597 -4.0043 -4.0043 -3.8500 -3.8500 -1.6184 -1.6184 -0.8487 -0.8487 -0.2909 -0.2909 0.0501 0.0501 0.9845 0.9845 1.2531 1.2531 1.6704 1.6704 1.7014 1.7014 2.7579 2.7579 2.9474 2.9474 3.4089 3.4089 3.5894 3.5894 3.6208 3.6208 4.1530 4.1530 4.9028 4.9028 5.3985 5.3985 11.6407 11.6407 12.0041 12.0041 12.0136 12.0136 12.0317 12.0317 12.7190 12.7190 k = 0.0000 0.0000 0.3097 ( 4338 PWs) bands (ev): -13.5177 -13.5177 -13.1502 -13.1502 -10.6662 -10.6662 -9.5801 -9.5801 -9.0865 -9.0865 -9.0643 -9.0643 -3.9820 -3.9820 -3.8138 -3.8138 -1.7276 -1.7276 -0.8608 -0.8608 -0.2704 -0.2704 0.0346 0.0346 1.0161 1.0161 1.1888 1.1888 1.6580 1.6580 1.7461 1.7461 2.7669 2.7669 2.9962 2.9962 3.3989 3.3989 3.5714 3.5714 3.6236 3.6236 4.1647 4.1647 4.8745 4.8745 5.4031 5.4031 11.5683 11.5683 12.0016 12.0016 12.1206 12.1206 12.1442 12.1442 12.7615 12.7615 k = 0.0000 0.0000 0.2934 ( 4338 PWs) bands (ev): -13.5301 -13.5301 -13.1409 -13.1409 -10.6885 -10.6885 -9.5330 -9.5330 -9.0925 -9.0925 -9.0690 -9.0690 -3.9588 -3.9588 -3.7763 -3.7763 -1.8338 -1.8338 -0.8716 -0.8716 -0.2508 -0.2508 0.0191 0.0191 1.0478 1.0478 1.1236 1.1236 1.6116 1.6116 1.8155 1.8155 2.7756 2.7756 3.0493 3.0493 3.3893 3.3893 3.5548 3.5548 3.6265 3.6265 4.1759 4.1759 4.8466 4.8466 5.4070 5.4070 11.4952 11.4952 11.9983 11.9983 12.2298 12.2298 12.2618 12.2618 12.7704 12.7704 k = 0.0000 0.0000 0.2771 ( 4346 PWs) bands (ev): -13.5421 -13.5421 -13.1321 -13.1321 -10.7096 -10.7096 -9.4866 -9.4866 -9.0985 -9.0985 -9.0738 -9.0738 -3.9349 -3.9349 -3.7377 -3.7377 -1.9367 -1.9367 -0.8810 -0.8810 -0.2321 -0.2321 0.0039 0.0039 1.0576 1.0576 1.0798 1.0798 1.5627 1.5627 1.8786 1.8786 2.7838 2.7838 3.1059 3.1059 3.3804 3.3804 3.5397 3.5397 3.6292 3.6292 4.1868 4.1868 4.8193 4.8193 5.4102 5.4102 11.4221 11.4221 11.9941 11.9941 12.3377 12.3377 12.3839 12.3839 12.7724 12.7724 k = 0.0000 0.0000 0.2608 ( 4348 PWs) bands (ev): -13.5536 -13.5536 -13.1238 -13.1238 -10.7293 -10.7293 -9.4411 -9.4411 -9.1044 -9.1044 -9.0786 -9.0786 -3.9105 -3.9105 -3.6985 -3.6985 -2.0359 -2.0359 -0.8891 -0.8891 -0.2144 -0.2144 -0.0109 -0.0109 0.9922 0.9922 1.1108 1.1108 1.5119 1.5119 1.9355 1.9355 2.7915 2.7915 3.1649 3.1649 3.3728 3.3728 3.5262 3.5262 3.6318 3.6318 4.1974 4.1974 4.7925 4.7925 5.4129 5.4129 11.3496 11.3496 11.9891 11.9891 12.4377 12.4377 12.5099 12.5099 12.7775 12.7775 k = 0.0000 0.0000 0.2445 ( 4342 PWs) bands (ev): -13.5647 -13.5647 -13.1159 -13.1159 -10.7478 -10.7478 -9.3965 -9.3965 -9.1103 -9.1103 -9.0834 -9.0834 -3.8860 -3.8860 -3.6588 -3.6588 -2.1313 -2.1313 -0.8957 -0.8957 -0.1978 -0.1978 -0.0252 -0.0252 0.9272 0.9272 1.1416 1.1416 1.4597 1.4597 1.9864 1.9864 2.7984 2.7984 3.2238 3.2238 3.3680 3.3680 3.5142 3.5142 3.6343 3.6343 4.2076 4.2076 4.7666 4.7666 5.4153 5.4153 11.2782 11.2782 11.9833 11.9833 12.5161 12.5161 12.6393 12.6393 12.7858 12.7858 k = 0.0000 0.0000 0.2282 ( 4338 PWs) bands (ev): -13.5751 -13.5751 -13.1086 -13.1086 -10.7650 -10.7650 -9.3533 -9.3533 -9.1160 -9.1160 -9.0881 -9.0881 -3.8615 -3.8615 -3.6190 -3.6190 -2.2224 -2.2224 -0.9011 -0.9011 -0.1824 -0.1824 -0.0389 -0.0389 0.8632 0.8632 1.1717 1.1717 1.4068 1.4068 2.0317 2.0317 2.8047 2.8047 3.2760 3.2760 3.3718 3.3718 3.5036 3.5036 3.6368 3.6368 4.2175 4.2175 4.7416 4.7416 5.4173 5.4173 11.2084 11.2084 11.9767 11.9767 12.5523 12.5523 12.7713 12.7713 12.7973 12.7973 k = 0.0000 0.0000 0.2119 ( 4338 PWs) bands (ev): -13.5850 -13.5850 -13.1017 -13.1017 -10.7810 -10.7810 -9.3116 -9.3116 -9.1216 -9.1216 -9.0927 -9.0927 -3.8373 -3.8373 -3.5793 -3.5793 -2.3090 -2.3090 -0.9051 -0.9051 -0.1682 -0.1682 -0.0519 -0.0519 0.8007 0.8007 1.2010 1.2010 1.3537 1.3537 2.0719 2.0719 2.8101 2.8101 3.3051 3.3051 3.3994 3.3994 3.4944 3.4944 3.6392 3.6392 4.2270 4.2270 4.7177 4.7177 5.4191 5.4191 11.1407 11.1407 11.9696 11.9696 12.5416 12.5416 12.8117 12.8117 12.9056 12.9056 k = 0.0000 0.0000 0.1956 ( 4350 PWs) bands (ev): -13.5944 -13.5944 -13.0954 -13.0954 -10.7958 -10.7958 -9.2716 -9.2716 -9.1269 -9.1269 -9.0972 -9.0972 -3.8136 -3.8136 -3.5402 -3.5402 -2.3907 -2.3907 -0.9079 -0.9079 -0.1554 -0.1554 -0.0642 -0.0642 0.7403 0.7403 1.2293 1.2293 1.3011 1.3011 2.1075 2.1075 2.8146 2.8146 3.3104 3.3104 3.4501 3.4501 3.4870 3.4870 3.6416 3.6416 4.2361 4.2361 4.6949 4.6949 5.4208 5.4208 11.0755 11.0755 11.9619 11.9619 12.5031 12.5031 12.8291 12.8291 13.0411 13.0411 k = 0.0000 0.0000 0.1793 ( 4334 PWs) bands (ev): -13.6030 -13.6030 -13.0895 -13.0895 -10.8093 -10.8093 -9.2337 -9.2337 -9.1320 -9.1320 -9.1015 -9.1015 -3.7907 -3.7907 -3.5021 -3.5021 -2.4673 -2.4673 -0.9095 -0.9095 -0.1439 -0.1439 -0.0756 -0.0756 0.6826 0.6826 1.2493 1.2493 1.2567 1.2567 2.1390 2.1390 2.8183 2.8183 3.3073 3.3073 3.4770 3.4770 3.5117 3.5117 3.6440 3.6440 4.2448 4.2448 4.6735 4.6735 5.4224 5.4224 11.0132 11.0132 11.9541 11.9541 12.4538 12.4538 12.8488 12.8488 13.1610 13.1610 k = 0.0000 0.0000 0.1630 ( 4326 PWs) bands (ev): -13.6110 -13.6110 -13.0841 -13.0841 -10.8216 -10.8216 -9.1979 -9.1979 -9.1368 -9.1368 -9.1055 -9.1055 -3.7689 -3.7689 -3.4652 -3.4652 -2.5384 -2.5384 -0.9101 -0.9101 -0.1340 -0.1340 -0.0861 -0.0861 0.6280 0.6280 1.1997 1.1997 1.2822 1.2822 2.1666 2.1666 2.8212 2.8212 3.3020 3.3020 3.4719 3.4719 3.5697 3.5697 3.6467 3.6467 4.2530 4.2530 4.6535 4.6535 5.4241 5.4241 10.9544 10.9544 11.9462 11.9462 12.4021 12.4021 12.8707 12.8707 13.2084 13.2084 k = 0.0000 0.0000 0.1467 ( 4322 PWs) bands (ev): -13.6184 -13.6184 -13.0793 -13.0793 -10.8327 -10.8327 -9.1648 -9.1648 -9.1411 -9.1411 -9.1092 -9.1092 -3.7483 -3.7483 -3.4301 -3.4301 -2.6038 -2.6038 -0.9097 -0.9097 -0.1255 -0.1255 -0.0957 -0.0957 0.5772 0.5772 1.1522 1.1522 1.3063 1.3063 2.1908 2.1908 2.8232 2.8232 3.2961 3.2961 3.4668 3.4668 3.6247 3.6247 3.6508 3.6508 4.2607 4.2607 4.6350 4.6350 5.4257 5.4257 10.8994 10.8994 11.9384 11.9384 12.3518 12.3518 12.8942 12.8942 13.2530 13.2530 k = 0.0000 0.0000 0.1304 ( 4322 PWs) bands (ev): -13.6250 -13.6250 -13.0749 -13.0749 -10.8427 -10.8427 -9.1456 -9.1456 -9.1339 -9.1339 -9.1127 -9.1127 -3.7292 -3.7292 -3.3972 -3.3972 -2.6632 -2.6632 -0.9086 -0.9086 -0.1187 -0.1187 -0.1043 -0.1043 0.5305 0.5305 1.1076 1.1076 1.3287 1.3287 2.2119 2.2119 2.8245 2.8245 3.2903 3.2903 3.4624 3.4624 3.6486 3.6486 3.6825 3.6825 4.2678 4.2678 4.6181 4.6181 5.4274 5.4274 10.8488 10.8488 11.9309 11.9309 12.3046 12.3046 12.9188 12.9188 13.2943 13.2943 k = 0.0000 0.0000 0.1141 ( 4326 PWs) bands (ev): -13.6309 -13.6309 -13.0711 -13.0711 -10.8514 -10.8514 -9.1490 -9.1490 -9.1161 -9.1161 -9.1062 -9.1062 -3.7117 -3.7117 -3.3668 -3.3668 -2.7163 -2.7163 -0.9070 -0.9070 -0.1146 -0.1146 -0.1106 -0.1106 0.4886 0.4886 1.0666 1.0666 1.3490 1.3490 2.2301 2.2301 2.8253 2.8253 3.2848 3.2848 3.4586 3.4586 3.6519 3.6519 3.7303 3.7303 4.2742 4.2742 4.6030 4.6030 5.4291 5.4291 10.8028 10.8028 11.9239 11.9239 12.2618 12.2618 12.9439 12.9439 13.3316 13.3316 k = 0.0000 0.0000 0.0978 ( 4330 PWs) bands (ev): -13.6360 -13.6360 -13.0678 -13.0678 -10.8590 -10.8590 -9.1522 -9.1522 -9.1187 -9.1187 -9.0820 -9.0820 -3.6962 -3.6962 -3.3394 -3.3394 -2.7629 -2.7629 -0.9049 -0.9049 -0.1194 -0.1194 -0.1085 -0.1085 0.4518 0.4518 1.0297 1.0297 1.3671 1.3671 2.2456 2.2456 2.8255 2.8255 3.2798 3.2798 3.4555 3.4555 3.6543 3.6543 3.7736 3.7736 4.2799 4.2799 4.5897 4.5897 5.4307 5.4307 10.7620 10.7620 11.9175 11.9175 12.2238 12.2238 12.9687 12.9687 13.3645 13.3645 k = 0.0000 0.0000 0.0815 ( 4332 PWs) bands (ev): -13.6404 -13.6404 -13.0650 -13.0650 -10.8653 -10.8653 -9.1550 -9.1550 -9.1210 -9.1210 -9.0610 -9.0610 -3.6828 -3.6828 -3.3155 -3.3155 -2.8028 -2.8028 -0.9027 -0.9027 -0.1250 -0.1250 -0.1058 -0.1058 0.4204 0.4204 0.9975 0.9975 1.3827 1.3827 2.2585 2.2585 2.8254 2.8254 3.2755 3.2755 3.4530 3.4530 3.6563 3.6563 3.8113 3.8113 4.2848 4.2848 4.5783 4.5783 5.4323 5.4323 10.7268 10.7268 11.9119 11.9119 12.1911 12.1911 12.9925 12.9925 13.3925 13.3925 k = 0.0000 0.0000 0.0652 ( 4334 PWs) bands (ev): -13.6440 -13.6440 -13.0627 -13.0627 -10.8705 -10.8705 -9.1573 -9.1573 -9.1230 -9.1230 -9.0435 -9.0435 -3.6716 -3.6716 -3.2953 -3.2953 -2.8357 -2.8357 -0.9006 -0.9006 -0.1297 -0.1297 -0.1042 -0.1042 0.3946 0.3946 0.9703 0.9703 1.3959 1.3959 2.2689 2.2689 2.8251 2.8251 3.2718 3.2718 3.4510 3.4510 3.6580 3.6580 3.8428 3.8428 4.2889 4.2889 4.5689 4.5689 5.4338 5.4338 10.6974 10.6974 11.9072 11.9072 12.1641 12.1641 13.0141 13.0141 13.4155 13.4155 k = 0.0000 0.0000 0.0489 ( 4326 PWs) bands (ev): -13.6468 -13.6468 -13.0609 -13.0609 -10.8746 -10.8746 -9.1591 -9.1591 -9.1246 -9.1246 -9.0298 -9.0298 -3.6627 -3.6627 -3.2792 -3.2792 -2.8614 -2.8614 -0.8987 -0.8987 -0.1333 -0.1333 -0.1032 -0.1032 0.3745 0.3745 0.9487 0.9487 1.4062 1.4062 2.2770 2.2770 2.8247 2.8247 3.2689 3.2689 3.4495 3.4495 3.6594 3.6594 3.8677 3.8677 4.2922 4.2922 4.5615 4.5615 5.4350 5.4350 10.6743 10.6743 11.9034 11.9034 12.1428 12.1428 13.0327 13.0327 13.4333 13.4333 k = 0.0000 0.0000 0.0326 ( 4330 PWs) bands (ev): -13.6488 -13.6488 -13.0596 -13.0596 -10.8775 -10.8775 -9.1604 -9.1604 -9.1257 -9.1257 -9.0199 -9.0199 -3.6563 -3.6563 -3.2675 -3.2675 -2.8799 -2.8799 -0.8972 -0.8972 -0.1360 -0.1360 -0.1029 -0.1029 0.3602 0.3602 0.9330 0.9330 1.4137 1.4137 2.2827 2.2827 2.8243 2.8243 3.2668 3.2668 3.4484 3.4484 3.6604 3.6604 3.8856 3.8856 4.2945 4.2945 4.5562 4.5562 5.4360 5.4360 10.6575 10.6575 11.9007 11.9007 12.1276 12.1276 13.0470 13.0470 13.4459 13.4459 k = 0.0000 0.0000 0.0163 ( 4326 PWs) bands (ev): -13.6501 -13.6501 -13.0588 -13.0588 -10.8792 -10.8792 -9.1612 -9.1612 -9.1263 -9.1263 -9.0139 -9.0139 -3.6524 -3.6524 -3.2604 -3.2604 -2.8911 -2.8911 -0.8962 -0.8962 -0.1376 -0.1376 -0.1027 -0.1027 0.3517 0.3517 0.9235 0.9235 1.4183 1.4183 2.2861 2.2861 2.8240 2.8240 3.2656 3.2656 3.4478 3.4478 3.6611 3.6611 3.8965 3.8965 4.2959 4.2959 4.5530 4.5530 5.4366 5.4366 10.6474 10.6474 11.8990 11.8990 12.1184 12.1184 13.0561 13.0561 13.4534 13.4534 k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.6505 -13.6505 -13.0586 -13.0586 -10.8798 -10.8798 -9.1614 -9.1614 -9.1266 -9.1266 -9.0119 -9.0119 -3.6511 -3.6511 -3.2580 -3.2580 -2.8948 -2.8948 -0.8959 -0.8959 -0.1381 -0.1381 -0.1027 -0.1027 0.3488 0.3488 0.9203 0.9203 1.4198 1.4198 2.2872 2.2872 2.8239 2.8239 3.2651 3.2651 3.4476 3.4476 3.6613 3.6613 3.9001 3.9001 4.2964 4.2964 4.5519 4.5519 5.4368 5.4368 10.6440 10.6440 11.8985 11.8985 12.1153 12.1153 13.0592 13.0592 13.4559 13.4559 k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.6505 -13.6505 -13.0586 -13.0586 -10.8798 -10.8798 -9.1614 -9.1614 -9.1266 -9.1266 -9.0119 -9.0119 -3.6511 -3.6511 -3.2580 -3.2580 -2.8948 -2.8948 -0.8959 -0.8959 -0.1381 -0.1381 -0.1027 -0.1027 0.3488 0.3488 0.9203 0.9203 1.4198 1.4198 2.2872 2.2872 2.8239 2.8239 3.2651 3.2651 3.4476 3.4476 3.6613 3.6613 3.9001 3.9001 4.2964 4.2964 4.5519 4.5519 5.4368 5.4368 10.6440 10.6440 11.8985 11.8985 12.1153 12.1153 13.0592 13.0592 13.4559 13.4559 k =-0.0139 0.0086 0.0000 ( 4321 PWs) bands (ev): -13.6499 -13.6499 -13.0586 -13.0586 -10.8813 -10.8813 -9.1613 -9.1612 -9.1269 -9.1266 -9.0118 -9.0113 -3.6489 -3.6486 -3.2608 -3.2606 -2.8913 -2.8911 -0.8967 -0.8964 -0.1367 -0.1366 -0.1043 -0.1041 0.3477 0.3478 0.9193 0.9194 1.4210 1.4210 2.2885 2.2885 2.8233 2.8233 3.2644 3.2647 3.4446 3.4446 3.6608 3.6608 3.8996 3.8998 4.2962 4.2965 4.5534 4.5536 5.4359 5.4359 10.6472 10.6472 11.8875 11.8882 12.1254 12.1257 13.0596 13.0597 13.4553 13.4553 k =-0.0278 0.0172 0.0000 ( 4331 PWs) bands (ev): -13.6482 -13.6482 -13.0587 -13.0586 -10.8857 -10.8857 -9.1610 -9.1608 -9.1276 -9.1270 -9.0112 -9.0102 -3.6419 -3.6415 -3.2685 -3.2681 -2.8809 -2.8805 -0.8989 -0.8982 -0.1324 -0.1323 -0.1087 -0.1083 0.3444 0.3445 0.9163 0.9166 1.4246 1.4247 2.2922 2.2923 2.8215 2.8215 3.2624 3.2629 3.4358 3.4359 3.6593 3.6594 3.8983 3.8986 4.2961 4.2966 4.5581 4.5584 5.4333 5.4333 10.6568 10.6568 11.8601 11.8613 12.1511 12.1518 13.0611 13.0612 13.4535 13.4535 k =-0.0417 0.0258 0.0000 ( 4329 PWs) bands (ev): -13.6454 -13.6453 -13.0589 -13.0588 -10.8931 -10.8930 -9.1603 -9.1600 -9.1287 -9.1278 -9.0100 -9.0086 -3.6304 -3.6297 -3.2804 -3.2798 -2.8645 -2.8639 -0.9023 -0.9013 -0.1254 -0.1252 -0.1159 -0.1153 0.3390 0.3391 0.9114 0.9118 1.4307 1.4308 2.2984 2.2986 2.8184 2.8185 3.2590 3.2598 3.4214 3.4217 3.6569 3.6571 3.8962 3.8966 4.2960 4.2969 4.5656 4.5660 5.4289 5.4290 10.6726 10.6726 11.8238 11.8256 12.1848 12.1859 13.0634 13.0636 13.4504 13.4505 k =-0.0556 0.0344 0.0000 ( 4331 PWs) bands (ev): -13.6414 -13.6414 -13.0591 -13.0590 -10.9033 -10.9032 -9.1594 -9.1590 -9.1299 -9.1288 -9.0083 -9.0065 -3.6142 -3.6133 -3.2954 -3.2946 -2.8430 -2.8422 -0.9069 -0.9057 -0.1264 -0.1253 -0.1150 -0.1150 0.3314 0.3316 0.9046 0.9051 1.4391 1.4392 2.3070 2.3072 2.8142 2.8143 3.2538 3.2550 3.4019 3.4023 3.6536 3.6538 3.8932 3.8938 4.2963 4.2973 4.5757 4.5762 5.4229 5.4230 10.6946 10.6946 11.7838 11.7860 12.2215 12.2230 13.0669 13.0671 13.4461 13.4462 k =-0.0694 0.0430 0.0000 ( 4331 PWs) bands (ev): -13.6364 -13.6363 -13.0594 -13.0592 -10.9162 -10.9162 -9.1583 -9.1578 -9.1314 -9.1301 -9.0062 -9.0040 -3.5935 -3.5924 -3.3125 -3.3116 -2.8177 -2.8167 -0.9127 -0.9112 -0.1391 -0.1378 -0.1025 -0.1024 0.3218 0.3220 0.8959 0.8965 1.4499 1.4500 2.3179 2.3182 2.8088 2.8090 3.2465 3.2481 3.3779 3.3786 3.6494 3.6496 3.8895 3.8902 4.2972 4.2983 4.5880 4.5886 5.4152 5.4153 10.7226 10.7226 11.7427 11.7453 12.2585 12.2603 13.0713 13.0716 13.4404 13.4405 k =-0.0833 0.0516 0.0000 ( 4337 PWs) bands (ev): -13.6302 -13.6301 -13.0597 -13.0596 -10.9318 -10.9318 -9.1570 -9.1564 -9.1330 -9.1315 -9.0038 -9.0013 -3.5683 -3.5670 -3.3309 -3.3298 -2.7892 -2.7880 -0.9196 -0.9177 -0.1544 -0.1529 -0.0873 -0.0871 0.3102 0.3104 0.8853 0.8861 1.4629 1.4630 2.3310 2.3313 2.8024 2.8026 3.2358 3.2379 3.3508 3.3519 3.6443 3.6445 3.8849 3.8857 4.2987 4.2999 4.6021 4.6026 5.4060 5.4061 10.7562 10.7563 11.7020 11.7050 12.2943 12.2964 13.0769 13.0773 13.4333 13.4334 k =-0.0972 0.0602 0.0000 ( 4337 PWs) bands (ev): -13.6230 -13.6229 -13.0601 -13.0599 -10.9499 -10.9499 -9.1555 -9.1548 -9.1346 -9.1329 -9.0012 -8.9983 -3.5388 -3.5373 -3.3499 -3.3486 -2.7583 -2.7569 -0.9275 -0.9253 -0.1722 -0.1704 -0.0695 -0.0693 0.2966 0.2969 0.8730 0.8739 1.4781 1.4783 2.3461 2.3465 2.7950 2.7953 3.2199 3.2226 3.3230 3.3244 3.6384 3.6386 3.8794 3.8803 4.3011 4.3023 4.6175 4.6180 5.3953 5.3954 10.7953 10.7954 11.6626 11.6661 12.3279 12.3303 13.0836 13.0841 13.4247 13.4248 k =-0.1111 0.0688 0.0000 ( 4331 PWs) bands (ev): -13.6147 -13.6146 -13.0606 -13.0603 -10.9704 -10.9704 -9.1539 -9.1531 -9.1361 -9.1344 -8.9984 -8.9953 -3.5051 -3.5033 -3.3690 -3.3675 -2.7256 -2.7239 -0.9362 -0.9337 -0.1923 -0.1902 -0.0493 -0.0491 0.2813 0.2815 0.8588 0.8598 1.4955 1.4956 2.3631 2.3635 2.7867 2.7870 3.1960 3.1991 3.2976 3.2993 3.6316 3.6319 3.8732 3.8741 4.3044 4.3056 4.6340 4.6344 5.3833 5.3834 10.8396 10.8396 11.6253 11.6291 12.3588 12.3614 13.0916 13.0922 13.4144 13.4146 k =-0.1250 0.0774 0.0000 ( 4339 PWs) bands (ev): -13.6054 -13.6053 -13.0611 -13.0608 -10.9932 -10.9931 -9.1523 -9.1513 -9.1375 -9.1357 -8.9955 -8.9922 -3.4672 -3.4652 -3.3878 -3.3863 -2.6914 -2.6895 -0.9457 -0.9430 -0.2145 -0.2121 -0.0268 -0.0267 0.2643 0.2645 0.8429 0.8440 1.5150 1.5151 2.3818 2.3823 2.7776 2.7780 3.1625 3.1656 3.2770 3.2786 3.6241 3.6243 3.8661 3.8671 4.3086 4.3098 4.6510 4.6513 5.3700 5.3701 10.8886 10.8887 11.5906 11.5947 12.3864 12.3891 13.1007 13.1015 13.4025 13.4027 k =-0.1389 0.0860 0.0000 ( 4335 PWs) bands (ev): -13.5951 -13.5950 -13.0616 -13.0613 -11.0180 -11.0179 -9.1506 -9.1494 -9.1386 -9.1369 -8.9927 -8.9892 -3.4254 -3.4232 -3.4061 -3.4045 -2.6561 -2.6539 -0.9559 -0.9529 -0.2387 -0.2359 -0.0022 -0.0020 0.2457 0.2458 0.8252 0.8264 1.5364 1.5365 2.4020 2.4026 2.7677 2.7682 3.1201 3.1230 3.2608 3.2621 3.6158 3.6160 3.8582 3.8593 4.3138 4.3149 4.6683 4.6685 5.3556 5.3557 10.9420 10.9421 11.5588 11.5633 12.4105 12.4133 13.1111 13.1120 13.3890 13.3892 k =-0.1528 0.0946 0.0000 ( 4326 PWs) bands (ev): -13.5839 -13.5838 -13.0622 -13.0619 -11.0446 -11.0446 -9.1489 -9.1475 -9.1394 -9.1379 -8.9900 -8.9863 -3.4238 -3.4220 -3.3798 -3.3774 -2.6200 -2.6176 -0.9667 -0.9634 -0.2645 -0.2614 0.0245 0.0247 0.2256 0.2257 0.8058 0.8071 1.5597 1.5598 2.4235 2.4242 2.7572 2.7577 3.0711 3.0737 3.2470 3.2479 3.6068 3.6071 3.8495 3.8507 4.3199 4.3209 4.6855 4.6856 5.3402 5.3403 10.9995 10.9996 11.5304 11.5351 12.4309 12.4338 13.1227 13.1237 13.3738 13.3740 k =-0.1667 0.1032 0.0000 ( 4338 PWs) bands (ev): -13.5718 -13.5717 -13.0628 -13.0625 -11.0729 -11.0729 -9.1474 -9.1457 -9.1399 -9.1385 -8.9874 -8.9836 -3.4405 -3.4387 -3.3306 -3.3280 -2.5833 -2.5806 -0.9780 -0.9744 -0.2918 -0.2883 0.0530 0.0532 0.2041 0.2041 0.7847 0.7861 1.5848 1.5848 2.4461 2.4468 2.7461 2.7467 3.0173 3.0197 3.2343 3.2348 3.5971 3.5974 3.8401 3.8412 4.3267 4.3276 4.7024 4.7025 5.3239 5.3241 11.0606 11.0608 11.5055 11.5105 12.4475 12.4504 13.1353 13.1364 13.3568 13.3570 k =-0.1806 0.1118 0.0000 ( 4338 PWs) bands (ev): -13.5588 -13.5587 -13.0635 -13.0631 -11.1027 -11.1027 -9.1462 -9.1439 -9.1398 -9.1389 -8.9851 -8.9811 -3.4563 -3.4544 -3.2780 -3.2752 -2.5462 -2.5432 -0.9898 -0.9859 -0.3203 -0.3165 0.0833 0.0835 0.1814 0.1814 0.7619 0.7633 1.6115 1.6115 2.4693 2.4702 2.7345 2.7353 2.9601 2.9623 3.2217 3.2219 3.5867 3.5870 3.8299 3.8311 4.3342 4.3350 4.7188 4.7190 5.3070 5.3072 11.1250 11.1252 11.4845 11.4897 12.4605 12.4633 13.1489 13.1501 13.3383 13.3385 k =-0.1944 0.1204 0.0000 ( 4338 PWs) bands (ev): -13.5450 -13.5449 -13.0641 -13.0638 -11.1338 -11.1338 -9.1451 -9.1422 -9.1392 -9.1388 -8.9830 -8.9789 -3.4710 -3.4691 -3.2222 -3.2192 -2.5088 -2.5056 -1.0018 -0.9977 -0.3499 -0.3457 0.1151 0.1154 0.1575 0.1577 0.7374 0.7389 1.6398 1.6398 2.4928 2.4939 2.7226 2.7234 2.9007 2.9029 3.2089 3.2090 3.5758 3.5761 3.8189 3.8202 4.3423 4.3430 4.7344 4.7348 5.2896 5.2898 11.1922 11.1924 11.4674 11.4728 12.4698 12.4725 13.1631 13.1645 13.3181 13.3183 k =-0.2083 0.1290 0.0000 ( 4334 PWs) bands (ev): -13.5305 -13.5304 -13.0648 -13.0645 -11.1659 -11.1659 -9.1442 -9.1408 -9.1381 -9.1381 -8.9813 -8.9770 -3.4847 -3.4827 -3.1635 -3.1602 -2.4714 -2.4680 -1.0142 -1.0097 -0.3802 -0.3757 0.1324 0.1324 0.1488 0.1489 0.7112 0.7128 1.6694 1.6695 2.5161 2.5173 2.7103 2.7113 2.8403 2.8425 3.1955 3.1958 3.5642 3.5646 3.8073 3.8086 4.3509 4.3513 4.7492 4.7497 5.2719 5.2721 11.2618 11.2621 11.4544 11.4599 12.4757 12.4783 13.1778 13.1792 13.2965 13.2967 k =-0.2222 0.1376 0.0000 ( 4326 PWs) bands (ev): -13.5153 -13.5152 -13.0655 -13.0652 -11.1989 -11.1989 -9.1432 -9.1396 -9.1371 -9.1368 -8.9799 -8.9755 -3.4972 -3.4952 -3.1020 -3.0985 -2.4342 -2.4305 -1.0268 -1.0220 -0.4110 -0.4061 0.1068 0.1071 0.1831 0.1832 0.6833 0.6850 1.7004 1.7006 2.5378 2.5393 2.6978 2.6988 2.7804 2.7826 3.1816 3.1822 3.5521 3.5525 3.7951 3.7964 4.3597 4.3600 4.7630 4.7637 5.2540 5.2542 11.3334 11.3337 11.4454 11.4511 12.4784 12.4809 13.1926 13.1940 13.2736 13.2738 k =-0.2361 0.1462 0.0000 ( 4322 PWs) bands (ev): -13.4996 -13.4994 -13.0662 -13.0659 -11.2325 -11.2325 -9.1421 -9.1384 -9.1357 -9.1354 -8.9789 -8.9744 -3.5085 -3.5065 -3.0380 -3.0344 -2.3972 -2.3933 -1.0395 -1.0345 -0.4420 -0.4368 0.0804 0.0808 0.2185 0.2187 0.6539 0.6556 1.7326 1.7328 2.5552 2.5571 2.6850 2.6862 2.7241 2.7264 3.1673 3.1682 3.5394 3.5398 3.7823 3.7837 4.3687 4.3689 4.7758 4.7766 5.2361 5.2363 11.4065 11.4070 11.4407 11.4464 12.4782 12.4805 13.2070 13.2081 13.2500 13.2501 k =-0.2500 0.1548 0.0000 ( 4320 PWs) bands (ev): -13.4833 -13.4831 -13.0670 -13.0666 -11.2665 -11.2665 -9.1407 -9.1370 -9.1343 -9.1340 -8.9782 -8.9738 -3.5187 -3.5167 -2.9718 -2.9680 -2.3606 -2.3565 -1.0523 -1.0470 -0.4730 -0.4675 0.0534 0.0540 0.2545 0.2547 0.6231 0.6248 1.7657 1.7660 2.5601 2.5622 2.6720 2.6735 2.6802 2.6825 3.1527 3.1538 3.5263 3.5267 3.7690 3.7704 4.3777 4.3778 4.7875 4.7884 5.2183 5.2185 11.4399 11.4457 11.4809 11.4813 12.4753 12.4775 13.2149 13.2156 13.2306 13.2325 k =-0.2639 0.1634 0.0000 ( 4316 PWs) bands (ev): -13.4666 -13.4665 -13.0677 -13.0673 -11.3007 -11.3007 -9.1391 -9.1353 -9.1328 -9.1326 -8.9780 -8.9735 -3.5279 -3.5259 -2.9037 -2.8996 -2.3247 -2.3204 -1.0652 -1.0596 -0.5037 -0.4979 0.0261 0.0267 0.2908 0.2910 0.5911 0.5929 1.7997 1.8002 2.5372 2.5385 2.6591 2.6606 2.6648 2.6662 3.1381 3.1394 3.5127 3.5132 3.7554 3.7568 4.3866 4.3866 4.7980 4.7990 5.2008 5.2010 11.4432 11.4490 11.5559 11.5564 12.4700 12.4719 13.1946 13.1955 13.2385 13.2405 k =-0.2778 0.1720 0.0000 ( 4316 PWs) bands (ev): -13.4496 -13.4495 -13.0684 -13.0680 -11.3349 -11.3348 -9.1372 -9.1334 -9.1312 -9.1311 -8.9782 -8.9737 -3.5359 -3.5339 -2.8339 -2.8297 -2.2895 -2.2850 -1.0781 -1.0723 -0.5339 -0.5277 -0.0015 -0.0007 0.3263 0.3265 0.5586 0.5604 1.8345 1.8350 2.4908 2.4913 2.6461 2.6477 2.6729 2.6733 3.1237 3.1253 3.4987 3.4992 3.7413 3.7428 4.3953 4.3954 4.8075 4.8085 5.1838 5.1840 11.4503 11.4561 11.6312 11.6318 12.4624 12.4642 13.1685 13.1693 13.2511 13.2529 k =-0.2917 0.1806 0.0000 ( 4318 PWs) bands (ev): -13.4325 -13.4323 -13.0691 -13.0687 -11.3688 -11.3687 -9.1351 -9.1318 -9.1295 -9.1292 -8.9789 -8.9743 -3.5429 -3.5410 -2.7630 -2.7586 -2.2552 -2.2506 -1.0911 -1.0850 -0.5632 -0.5568 -0.0292 -0.0283 0.3593 0.3596 0.5274 0.5291 1.8698 1.8704 2.4365 2.4366 2.6330 2.6346 2.6882 2.6883 3.1100 3.1118 3.4844 3.4850 3.7271 3.7285 4.4036 4.4039 4.8158 4.8169 5.1674 5.1676 11.4612 11.4669 11.7063 11.7070 12.4528 12.4544 13.1415 13.1423 13.2632 13.2648 k =-0.3056 0.1892 0.0000 ( 4318 PWs) bands (ev): -13.4153 -13.4151 -13.0698 -13.0694 -11.4021 -11.4021 -9.1331 -9.1305 -9.1276 -9.1266 -8.9800 -8.9754 -3.5489 -3.5471 -2.6911 -2.6865 -2.2221 -2.2173 -1.1040 -1.0977 -0.5915 -0.5849 -0.0567 -0.0557 0.3842 0.3849 0.5028 0.5042 1.9055 1.9062 2.3809 2.3810 2.6198 2.6216 2.7041 2.7047 3.0975 3.0995 3.4699 3.4705 3.7126 3.7141 4.4117 4.4119 4.8231 4.8242 5.1516 5.1518 11.4754 11.4811 11.7809 11.7815 12.4413 12.4427 13.1145 13.1152 13.2743 13.2757 k =-0.3194 0.1978 0.0000 ( 4320 PWs) bands (ev): -13.3981 -13.3980 -13.0704 -13.0701 -11.4347 -11.4347 -9.1314 -9.1294 -9.1252 -9.1236 -8.9814 -8.9769 -3.5540 -3.5522 -2.6188 -2.6140 -2.1902 -2.1854 -1.1170 -1.1104 -0.6185 -0.6117 -0.0840 -0.0828 0.3879 0.3893 0.4978 0.4987 1.9414 1.9423 2.3264 2.3265 2.6065 2.6084 2.7185 2.7194 3.0868 3.0891 3.4552 3.4558 3.6981 3.6996 4.4192 4.4196 4.8293 4.8305 5.1366 5.1368 11.4929 11.4984 11.8543 11.8550 12.4281 12.4294 13.0877 13.0885 13.2841 13.2854 k =-0.3333 0.2064 0.0000 ( 4318 PWs) bands (ev): -13.3812 -13.3811 -13.0711 -13.0708 -11.4663 -11.4663 -9.1300 -9.1286 -9.1223 -9.1201 -8.9833 -8.9788 -3.5582 -3.5565 -2.5464 -2.5415 -2.1597 -2.1549 -1.1300 -1.1232 -0.6440 -0.6371 -0.1107 -0.1094 0.3661 0.3680 0.5169 0.5173 1.9773 1.9783 2.2740 2.2743 2.5932 2.5952 2.7301 2.7312 3.0787 3.0812 3.4404 3.4411 3.6837 3.6852 4.4263 4.4267 4.8347 4.8359 5.1225 5.1227 11.5133 11.5186 11.9260 11.9268 12.4134 12.4144 13.0617 13.0625 13.2927 13.2938 k =-0.3472 0.2151 0.0000 ( 4318 PWs) bands (ev): -13.3647 -13.3645 -13.0717 -13.0714 -11.4967 -11.4966 -9.1289 -9.1278 -9.1188 -9.1164 -8.9855 -8.9811 -3.5617 -3.5601 -2.4745 -2.4695 -2.1309 -2.1261 -1.1430 -1.1360 -0.6677 -0.6608 -0.1367 -0.1353 0.3321 0.3341 0.5467 0.5470 2.0130 2.0141 2.2246 2.2248 2.5797 2.5819 2.7381 2.7393 3.0737 3.0763 3.4258 3.4264 3.6694 3.6709 4.4329 4.4333 4.8392 4.8404 5.1094 5.1096 11.5361 11.5413 11.9957 11.9965 12.3972 12.3981 13.0368 13.0376 13.3001 13.3010 k =-0.3611 0.2237 0.0000 ( 4322 PWs) bands (ev): -13.3487 -13.3486 -13.0723 -13.0720 -11.5256 -11.5255 -9.1281 -9.1272 -9.1151 -9.1124 -8.9881 -8.9837 -3.5645 -3.5630 -2.4037 -2.3985 -2.1039 -2.0992 -1.1560 -1.1489 -0.6895 -0.6827 -0.1617 -0.1603 0.2937 0.2958 0.5794 0.5796 2.0484 2.0496 2.1784 2.1786 2.5661 2.5684 2.7421 2.7433 3.0722 3.0748 3.4114 3.4121 3.6554 3.6568 4.4389 4.4393 4.8430 4.8441 5.0972 5.0974 11.5611 11.5661 12.0625 12.0634 12.3796 12.3804 13.0133 13.0141 13.3063 13.3070 k =-0.3750 0.2323 0.0000 ( 4330 PWs) bands (ev): -13.3335 -13.3333 -13.0728 -13.0725 -11.5527 -11.5527 -9.1274 -9.1267 -9.1110 -9.1083 -8.9909 -8.9867 -3.5667 -3.5653 -2.3346 -2.3294 -2.0788 -2.0743 -1.1690 -1.1618 -0.7094 -0.7027 -0.1855 -0.1841 0.2541 0.2562 0.6122 0.6123 2.0831 2.0844 2.1358 2.1360 2.5524 2.5547 2.7421 2.7433 3.0741 3.0767 3.3974 3.3981 3.6417 3.6431 4.4443 4.4447 4.8461 4.8471 5.0862 5.0863 11.5878 11.5925 12.1260 12.1269 12.3610 12.3615 12.9917 12.9925 13.3114 13.3119 k =-0.3889 0.2409 0.0000 ( 4320 PWs) bands (ev): -13.3191 -13.3190 -13.0733 -13.0730 -11.5779 -11.5778 -9.1269 -9.1262 -9.1068 -9.1041 -8.9940 -8.9899 -3.5683 -3.5671 -2.2679 -2.2627 -2.0559 -2.0516 -1.1819 -1.1747 -0.7270 -0.7206 -0.2079 -0.2064 0.2146 0.2166 0.6438 0.6439 2.0971 2.0973 2.1169 2.1184 2.5384 2.5408 2.7387 2.7399 3.0791 3.0815 3.3841 3.3848 3.6287 3.6300 4.4491 4.4495 4.8486 4.8496 5.0762 5.0764 11.6155 11.6199 12.1855 12.1864 12.3415 12.3418 12.9723 12.9731 13.3154 13.3158 k =-0.4028 0.2495 0.0000 ( 4318 PWs) bands (ev): -13.3059 -13.3058 -13.0737 -13.0735 -11.6008 -11.6007 -9.1264 -9.1259 -9.1025 -9.0998 -8.9971 -8.9933 -3.5695 -3.5684 -2.2046 -2.1994 -2.0353 -2.0312 -1.1947 -1.1877 -0.7424 -0.7364 -0.2285 -0.2271 0.1764 0.1784 0.6735 0.6736 2.0625 2.0627 2.1496 2.1512 2.5241 2.5266 2.7327 2.7338 3.0862 3.0885 3.3716 3.3722 3.6164 3.6176 4.4533 4.4537 4.8506 4.8515 5.0674 5.0675 11.6437 11.6479 12.2402 12.2410 12.3215 12.3216 12.9554 12.9562 13.3187 13.3189 k =-0.4167 0.2581 0.0000 ( 4314 PWs) bands (ev): -13.2940 -13.2939 -13.0741 -13.0739 -11.6212 -11.6211 -9.1260 -9.1256 -9.0983 -9.0956 -9.0004 -8.9968 -3.5704 -3.5694 -2.1455 -2.1406 -2.0170 -2.0134 -1.2073 -1.2005 -0.7556 -0.7501 -0.2471 -0.2458 0.1405 0.1424 0.7006 0.7006 2.0322 2.0324 2.1809 2.1826 2.5097 2.5122 2.7251 2.7260 3.0947 3.0968 3.3602 3.3607 3.6049 3.6061 4.4569 4.4572 4.8522 4.8530 5.0597 5.0598 11.6718 11.6755 12.2890 12.2901 12.3013 12.3015 12.9412 12.9419 13.3212 13.3213 k =-0.4306 0.2667 0.0000 ( 4318 PWs) bands (ev): -13.2835 -13.2834 -13.0744 -13.0742 -11.6389 -11.6388 -9.1257 -9.1253 -9.0941 -9.0917 -9.0035 -9.0002 -3.5709 -3.5701 -2.0919 -2.0873 -2.0013 -1.9981 -1.2192 -1.2130 -0.7665 -0.7617 -0.2634 -0.2622 0.1079 0.1096 0.7245 0.7246 2.0063 2.0064 2.2103 2.2121 2.4952 2.4976 2.7169 2.7177 3.1037 3.1054 3.3500 3.3505 3.5947 3.5957 4.4599 4.4602 4.8534 4.8541 5.0532 5.0533 11.6987 11.7019 12.2813 12.2813 12.3323 12.3330 12.9298 12.9304 13.3231 13.3231 k =-0.4444 0.2753 0.0000 ( 4322 PWs) bands (ev): -13.2747 -13.2746 -13.0747 -13.0745 -11.6537 -11.6537 -9.1254 -9.1252 -9.0903 -9.0881 -9.0064 -9.0035 -3.5713 -3.5706 -2.0450 -2.0409 -1.9882 -1.9856 -1.2302 -1.2247 -0.7751 -0.7711 -0.2772 -0.2762 0.0796 0.0811 0.7449 0.7450 1.9849 1.9850 2.2374 2.2391 2.4808 2.4831 2.7090 2.7096 3.1123 3.1137 3.3413 3.3417 3.5858 3.5867 4.4623 4.4626 4.8544 4.8550 5.0478 5.0479 11.7235 11.7262 12.2626 12.2628 12.3682 12.3688 12.9212 12.9217 13.3245 13.3245 k =-0.4583 0.2839 0.0000 ( 4320 PWs) bands (ev): -13.2676 -13.2676 -13.0749 -13.0748 -11.6654 -11.6654 -9.1253 -9.1250 -9.0869 -9.0851 -9.0088 -9.0065 -3.5714 -3.5709 -2.0062 -2.0028 -1.9779 -1.9759 -1.2396 -1.2351 -0.7816 -0.7785 -0.2881 -0.2873 0.0566 0.0577 0.7613 0.7614 1.9682 1.9683 2.2614 2.2630 2.4671 2.4692 2.7021 2.7025 3.1198 3.1209 3.3343 3.3347 3.5786 3.5793 4.4642 4.4644 4.8551 4.8555 5.0437 5.0437 11.7450 11.7471 12.2463 12.2465 12.3967 12.3972 12.9152 12.9156 13.3254 13.3255 k =-0.4722 0.2925 0.0000 ( 4326 PWs) bands (ev): -13.2625 -13.2625 -13.0750 -13.0749 -11.6739 -11.6739 -9.1251 -9.1250 -9.0842 -9.0828 -9.0107 -9.0090 -3.5715 -3.5712 -1.9769 -1.9745 -1.9704 -1.9690 -1.2467 -1.2436 -0.7860 -0.7839 -0.2961 -0.2955 0.0395 0.0403 0.7733 0.7733 1.9562 1.9563 2.2811 2.2825 2.4551 2.4567 2.6967 2.6970 3.1256 3.1264 3.3292 3.3295 3.5733 3.5738 4.4656 4.4657 4.8556 4.8559 5.0407 5.0407 11.7618 11.7633 12.2333 12.2335 12.4172 12.4176 12.9113 12.9116 13.3261 13.3261 k =-0.4861 0.3011 0.0000 ( 4318 PWs) bands (ev): -13.2594 -13.2594 -13.0751 -13.0751 -11.6790 -11.6790 -9.1250 -9.1249 -9.0822 -9.0815 -9.0117 -9.0108 -3.5715 -3.5713 -1.9657 -1.9650 -1.9584 -1.9571 -1.2510 -1.2494 -0.7884 -0.7873 -0.3009 -0.3006 0.0290 0.0294 0.7806 0.7806 1.9490 1.9490 2.2947 2.2955 2.4466 2.4476 2.6934 2.6935 3.1294 3.1298 3.3262 3.3263 3.5701 3.5703 4.4664 4.4665 4.8559 4.8561 5.0389 5.0389 11.7728 11.7736 12.2250 12.2251 12.4296 12.4298 12.9093 12.9095 13.3265 13.3265 k =-0.5000 0.3097 0.0000 ( 4318 PWs) bands (ev): -13.2583 -13.2583 -13.0751 -13.0751 -11.6807 -11.6807 -9.1250 -9.1250 -9.0813 -9.0813 -9.0117 -9.0117 -3.5714 -3.5714 -1.9639 -1.9639 -1.9517 -1.9517 -1.2519 -1.2519 -0.7888 -0.7888 -0.3024 -0.3024 0.0257 0.0257 0.7831 0.7831 1.9466 1.9466 2.2999 2.2999 2.4438 2.4438 2.6923 2.6923 3.1308 3.1308 3.3252 3.3252 3.5691 3.5691 4.4667 4.4667 4.8561 4.8561 5.0383 5.0383 11.7768 11.7768 12.2221 12.2221 12.4339 12.4339 12.9088 12.9088 13.3266 13.3266 k =-0.5000 0.3097 0.0000 ( 4318 PWs) bands (ev): -13.2583 -13.2583 -13.0751 -13.0751 -11.6807 -11.6807 -9.1250 -9.1250 -9.0813 -9.0813 -9.0117 -9.0117 -3.5714 -3.5714 -1.9639 -1.9639 -1.9517 -1.9517 -1.2519 -1.2519 -0.7888 -0.7888 -0.3024 -0.3024 0.0257 0.0257 0.7831 0.7831 1.9466 1.9466 2.2999 2.2999 2.4438 2.4438 2.6923 2.6923 3.1308 3.1308 3.3252 3.3252 3.5691 3.5691 4.4667 4.4667 4.8561 4.8561 5.0383 5.0383 11.7768 11.7768 12.2221 12.2221 12.4339 12.4339 12.9088 12.9088 13.3266 13.3266 k =-0.4914 0.3235-0.0000 ( 4326 PWs) bands (ev): -13.2585 -13.2585 -13.0752 -13.0752 -11.6798 -11.6798 -9.1401 -9.1371 -9.0810 -9.0806 -9.0013 -8.9979 -3.5711 -3.5710 -1.9927 -1.9923 -1.9189 -1.9185 -1.2527 -1.2527 -0.7903 -0.7900 -0.3186 -0.3141 0.0364 0.0411 0.7828 0.7832 1.9466 1.9467 2.2980 2.2986 2.4436 2.4454 2.6919 2.6940 3.1290 3.1297 3.3259 3.3259 3.5689 3.5689 4.4675 4.4680 4.8521 4.8530 5.0378 5.0387 11.7785 11.7789 12.2231 12.2232 12.4375 12.4380 12.8998 12.9053 13.3331 13.3381 k =-0.4829 0.3373-0.0000 ( 4326 PWs) bands (ev): -13.2590 -13.2590 -13.0753 -13.0753 -11.6769 -11.6769 -9.1719 -9.1678 -9.0794 -9.0787 -8.9755 -8.9705 -3.5700 -3.5698 -2.0224 -2.0216 -1.8767 -1.8758 -1.2551 -1.2551 -0.7943 -0.7938 -0.3567 -0.3493 0.0690 0.0769 0.7824 0.7832 1.9468 1.9471 2.2928 2.2941 2.4446 2.4482 2.6929 2.6971 3.1241 3.1256 3.3280 3.3280 3.5684 3.5684 4.4705 4.4715 4.8415 4.8432 5.0369 5.0386 11.7839 11.7847 12.2261 12.2262 12.4489 12.4499 12.8805 12.8905 13.3567 13.3656 k =-0.4743 0.3511-0.0000 ( 4328 PWs) bands (ev): -13.2599 -13.2598 -13.0756 -13.0756 -11.6721 -11.6721 -9.2105 -9.2062 -9.0767 -9.0758 -8.9449 -8.9393 -3.5681 -3.5678 -2.0478 -2.0466 -1.8301 -1.8289 -1.2590 -1.2590 -0.8009 -0.8001 -0.4080 -0.3990 0.1145 0.1240 0.7819 0.7829 1.9473 1.9477 2.2844 2.2864 2.4469 2.4521 2.6954 2.7015 3.1164 3.1186 3.3316 3.3316 3.5675 3.5676 4.4756 4.4771 4.8248 4.8270 5.0353 5.0377 11.7929 11.7942 12.2312 12.2313 12.4679 12.4693 12.8545 12.8678 13.3939 13.4055 k =-0.4658 0.3650-0.0000 ( 4322 PWs) bands (ev): -13.2611 -13.2611 -13.0760 -13.0760 -11.6655 -11.6654 -9.2524 -9.2481 -9.0730 -9.0717 -8.9138 -8.9077 -3.5654 -3.5651 -2.0685 -2.0669 -1.7796 -1.7780 -1.2645 -1.2644 -0.8100 -0.8089 -0.4665 -0.4568 0.1662 0.1768 0.7810 0.7824 1.9481 1.9486 2.2728 2.2754 2.4502 2.4570 2.6994 2.7074 3.1058 3.1087 3.3367 3.3367 3.5664 3.5665 4.4828 4.4848 4.8026 4.8054 5.0325 5.0354 11.8056 11.8071 12.2382 12.2383 12.4941 12.4957 12.8253 12.8409 13.4412 13.4545 k =-0.4572 0.3788-0.0000 ( 4314 PWs) bands (ev): -13.2627 -13.2626 -13.0764 -13.0764 -11.6569 -11.6568 -9.2964 -9.2922 -9.0681 -9.0666 -8.8836 -8.8771 -3.5620 -3.5617 -2.0846 -2.0827 -1.7254 -1.7233 -1.2715 -1.2715 -0.8215 -0.8201 -0.5292 -0.5190 0.2209 0.2320 0.7798 0.7815 1.9494 1.9499 2.2579 2.2612 2.4544 2.4626 2.7053 2.7148 3.0924 3.0961 3.3432 3.3432 3.5650 3.5651 4.4921 4.4945 4.7758 4.7789 5.0281 5.0314 11.8218 11.8235 12.2471 12.2472 12.5268 12.5283 12.7958 12.8132 13.4957 13.5100 k =-0.4486 0.3926-0.0000 ( 4312 PWs) bands (ev): -13.2646 -13.2646 -13.0769 -13.0769 -11.6464 -11.6463 -9.3417 -9.3377 -9.0621 -9.0603 -8.8548 -8.8481 -3.5580 -3.5576 -2.0960 -2.0937 -1.6675 -1.6651 -1.2800 -1.2800 -0.8352 -0.8335 -0.5942 -0.5839 0.2766 0.2881 0.7780 0.7801 1.9511 1.9517 2.2397 2.2436 2.4593 2.4686 2.7130 2.7240 3.0765 3.0808 3.3511 3.3511 3.5633 3.5634 4.5033 4.5062 4.7450 4.7483 5.0218 5.0253 11.8413 11.8430 12.2579 12.2581 12.5645 12.5655 12.7688 12.7878 13.5554 13.5703 k =-0.4401 0.4064-0.0000 ( 4324 PWs) bands (ev): -13.2669 -13.2669 -13.0775 -13.0775 -11.6340 -11.6339 -9.3881 -9.3843 -9.0551 -9.0530 -8.8278 -8.8209 -3.5534 -3.5529 -2.1026 -2.0999 -1.6062 -1.6034 -1.2901 -1.2900 -0.8511 -0.8491 -0.6608 -0.6504 0.3323 0.3441 0.7756 0.7780 1.9535 1.9542 2.2181 2.2226 2.4647 2.4747 2.7228 2.7348 3.0581 3.0632 3.3604 3.3604 3.5614 3.5615 4.5165 4.5198 4.7107 4.7141 5.0135 5.0172 11.8638 11.8655 12.2706 12.2708 12.6031 12.6034 12.7490 12.7695 13.5995 13.6000 k =-0.4315 0.4203-0.0000 ( 4324 PWs) bands (ev): -13.2697 -13.2696 -13.0782 -13.0781 -11.6197 -11.6197 -9.4352 -9.4316 -9.0471 -9.0447 -8.8029 -8.7957 -3.5482 -3.5476 -2.1046 -2.1015 -1.5416 -1.5384 -1.3015 -1.3014 -0.8690 -0.8666 -0.7281 -0.7178 0.3874 0.3993 0.7724 0.7751 1.9567 1.9574 2.1931 2.1982 2.4702 2.4807 2.7348 2.7475 3.0375 3.0432 3.3711 3.3712 3.5593 3.5595 4.5315 4.5353 4.6736 4.6770 5.0031 5.0069 11.8891 11.8906 12.2849 12.2852 12.6312 12.6320 12.7484 12.7687 13.5629 13.5632 k =-0.4229 0.4341-0.0000 ( 4330 PWs) bands (ev): -13.2728 -13.2728 -13.0788 -13.0788 -11.6035 -11.6035 -9.4829 -9.4795 -9.0380 -9.0353 -8.7800 -8.7726 -3.5425 -3.5419 -2.1018 -2.0983 -1.4740 -1.4704 -1.3144 -1.3143 -0.8887 -0.8860 -0.7959 -0.7857 0.4416 0.4536 0.7682 0.7711 1.9608 1.9615 2.1647 2.1704 2.4759 2.4864 2.7490 2.7621 3.0148 3.0212 3.3833 3.3834 3.5570 3.5573 4.5482 4.5524 4.6340 4.6375 4.9907 4.9945 11.9169 11.9180 12.3009 12.3012 12.6355 12.6397 12.7805 12.7973 13.5215 13.5217 k =-0.4144 0.4479-0.0000 ( 4338 PWs) bands (ev): -13.2764 -13.2763 -13.0795 -13.0794 -11.5855 -11.5855 -9.5310 -9.5278 -9.0279 -9.0249 -8.7594 -8.7518 -3.5365 -3.5358 -2.0943 -2.0906 -1.4037 -1.3996 -1.3285 -1.3284 -0.9101 -0.9070 -0.8636 -0.8536 0.4945 0.5065 0.7628 0.7660 1.9660 1.9667 2.1329 2.1390 2.4814 2.4917 2.7653 2.7785 2.9903 2.9974 3.3969 3.3970 3.5546 3.5551 4.5665 4.5712 4.5924 4.5960 4.9763 4.9801 11.9467 11.9472 12.3184 12.3188 12.6251 12.6321 12.8362 12.8499 13.4768 13.4770 k =-0.4058 0.4617-0.0000 ( 4328 PWs) bands (ev): -13.2804 -13.2803 -13.0801 -13.0801 -11.5656 -11.5656 -9.5794 -9.5763 -9.0169 -9.0136 -8.7410 -8.7332 -3.5301 -3.5294 -2.0824 -2.0784 -1.3452 -1.3442 -1.3293 -1.3260 -0.9358 -0.9294 -0.9281 -0.9212 0.5460 0.5581 0.7561 0.7595 1.9723 1.9730 2.0976 2.1042 2.4867 2.4965 2.7838 2.7966 2.9643 2.9720 3.4119 3.4120 3.5523 3.5529 4.5493 4.5525 4.5868 4.5916 4.9602 4.9639 11.9777 11.9779 12.3373 12.3377 12.6123 12.6203 12.9034 12.9154 13.4297 13.4298 k =-0.3973 0.4755-0.0000 ( 4318 PWs) bands (ev): -13.2848 -13.2848 -13.0807 -13.0807 -11.5439 -11.5438 -9.6278 -9.6249 -9.0050 -9.0014 -8.7249 -8.7169 -3.5236 -3.5228 -2.0661 -2.0618 -1.3610 -1.3608 -1.2552 -1.2505 -0.9983 -0.9880 -0.9562 -0.9531 0.5960 0.6081 0.7479 0.7516 1.9799 1.9805 2.0588 2.0660 2.4919 2.5009 2.8040 2.8163 2.9369 2.9452 3.4283 3.4285 3.5499 3.5507 4.5050 4.5082 4.6081 4.6133 4.9424 4.9461 12.0086 12.0098 12.3574 12.3579 12.6019 12.6098 12.9775 12.9887 13.3808 13.3808 k =-0.3887 0.4894-0.0000 ( 4320 PWs) bands (ev): -13.2898 -13.2897 -13.0813 -13.0812 -11.5203 -11.5203 -9.6761 -9.6734 -8.9922 -8.9883 -8.7110 -8.7029 -3.5170 -3.5161 -2.0456 -2.0410 -1.3788 -1.3786 -1.1801 -1.1745 -1.0620 -1.0524 -0.9815 -0.9780 0.6444 0.6565 0.7381 0.7419 1.9888 1.9894 2.0166 2.0243 2.4968 2.5049 2.8258 2.8373 2.9085 2.9174 3.4461 3.4463 3.5478 3.5487 4.4598 4.4629 4.6308 4.6364 4.9232 4.9268 12.0391 12.0416 12.3785 12.3790 12.5961 12.6033 13.0566 13.0673 13.3303 13.3303 k =-0.3801 0.5032-0.0000 ( 4324 PWs) bands (ev): -13.2952 -13.2951 -13.0817 -13.0817 -11.4949 -11.4949 -9.7243 -9.7218 -8.9786 -8.9744 -8.6994 -8.6912 -3.5104 -3.5095 -2.0212 -2.0164 -1.3978 -1.3975 -1.1454 -1.1350 -1.0821 -1.0771 -1.0076 -1.0037 0.6912 0.7032 0.7265 0.7305 1.9711 1.9787 1.9996 1.9998 2.5016 2.5086 2.8487 2.8593 2.8794 2.8887 3.4653 3.4655 3.5458 3.5471 4.4140 4.4170 4.6548 4.6606 4.9028 4.9063 12.0681 12.0720 12.4003 12.4009 12.5964 12.6024 13.1395 13.1500 13.2785 13.2786 k =-0.3716 0.5170-0.0000 ( 4316 PWs) bands (ev): -13.3010 -13.3009 -13.0822 -13.0821 -11.4677 -11.4677 -9.7723 -9.7699 -8.9642 -8.9598 -8.6900 -8.6817 -3.5041 -3.5031 -1.9933 -1.9884 -1.4177 -1.4174 -1.2012 -1.1907 -1.0350 -1.0301 -1.0080 -1.0033 0.7128 0.7167 0.7369 0.7487 1.9222 1.9304 2.0114 2.0117 2.5063 2.5121 2.8493 2.8592 2.8729 2.8822 3.4858 3.4861 3.5443 3.5459 4.3680 4.3709 4.6798 4.6859 4.8813 4.8848 12.0944 12.1000 12.4226 12.4233 12.6041 12.6085 13.2230 13.2256 13.2284 13.2363 k =-0.3630 0.5308-0.0000 ( 4316 PWs) bands (ev): -13.3074 -13.3073 -13.0825 -13.0825 -11.4387 -11.4387 -9.8198 -9.8176 -8.9490 -8.9444 -8.6827 -8.6743 -3.4981 -3.4971 -1.9625 -1.9573 -1.4387 -1.4383 -1.2627 -1.2523 -1.0619 -1.0571 -0.9256 -0.9202 0.6974 0.7016 0.7804 0.7923 1.8703 1.8787 2.0251 2.0253 2.5109 2.5156 2.8192 2.8294 2.8971 2.9054 3.5075 3.5077 3.5435 3.5456 4.3220 4.3247 4.7057 4.7121 4.8591 4.8624 12.1172 12.1245 12.4449 12.4457 12.6202 12.6229 13.1722 13.1726 13.3142 13.3243 k =-0.3545 0.5447-0.0000 ( 4318 PWs) bands (ev): -13.3142 -13.3141 -13.0827 -13.0827 -11.4079 -11.4079 -9.8669 -9.8648 -8.9333 -8.9283 -8.6775 -8.6691 -3.4926 -3.4916 -1.9294 -1.9242 -1.4605 -1.4600 -1.3226 -1.3123 -1.0895 -1.0843 -0.8405 -0.8347 0.6800 0.6842 0.8227 0.8346 1.8153 1.8239 2.0404 2.0406 2.5156 2.5191 2.7887 2.7993 2.9216 2.9287 3.5286 3.5286 3.5452 3.5480 4.2761 4.2787 4.7325 4.7391 4.8361 4.8393 12.1358 12.1447 12.4667 12.4677 12.6452 12.6461 13.1185 13.1191 13.4044 13.4145 k =-0.3459 0.5585-0.0000 ( 4320 PWs) bands (ev): -13.3214 -13.3213 -13.0828 -13.0828 -11.3754 -11.3754 -9.9134 -9.9115 -8.9169 -8.9117 -8.6743 -8.6658 -3.4878 -3.4867 -1.8953 -1.8902 -1.4832 -1.4826 -1.3792 -1.3689 -1.1170 -1.1115 -0.7539 -0.7477 0.6605 0.6648 0.8637 0.8755 1.7576 1.7664 2.0575 2.0576 2.5205 2.5228 2.7580 2.7690 2.9459 2.9516 3.5384 3.5396 3.5605 3.5625 4.2307 4.2331 4.7600 4.7667 4.8127 4.8158 12.1501 12.1604 12.4874 12.4887 12.6783 12.6790 13.0650 13.0660 13.4958 13.5058 k =-0.3459 0.5585-0.0000 ( 4320 PWs) bands (ev): -13.3214 -13.3213 -13.0828 -13.0828 -11.3754 -11.3754 -9.9134 -9.9115 -8.9169 -8.9117 -8.6743 -8.6658 -3.4878 -3.4867 -1.8953 -1.8902 -1.4832 -1.4826 -1.3792 -1.3689 -1.1170 -1.1115 -0.7539 -0.7477 0.6605 0.6648 0.8637 0.8755 1.7576 1.7664 2.0575 2.0576 2.5205 2.5228 2.7580 2.7690 2.9459 2.9516 3.5384 3.5396 3.5605 3.5625 4.2307 4.2331 4.7600 4.7667 4.8127 4.8158 12.1501 12.1604 12.4874 12.4887 12.6783 12.6790 13.0650 13.0660 13.4958 13.5058 k =-0.3459 0.5585 0.0163 ( 4320 PWs) bands (ev): -13.3212 -13.3212 -13.0829 -13.0829 -11.3745 -11.3744 -9.9129 -9.9109 -8.9192 -8.9140 -8.6752 -8.6667 -3.4853 -3.4843 -1.9026 -1.8974 -1.4835 -1.4830 -1.3694 -1.3591 -1.1156 -1.1101 -0.7571 -0.7510 0.6611 0.6654 0.8652 0.8769 1.7560 1.7647 2.0571 2.0571 2.5206 2.5228 2.7569 2.7678 2.9476 2.9533 3.5338 3.5353 3.5655 3.5672 4.2305 4.2329 4.7596 4.7664 4.8120 4.8151 12.1462 12.1565 12.4855 12.4868 12.6801 12.6807 13.0607 13.0617 13.5016 13.5115 k =-0.3459 0.5585 0.0326 ( 4325 PWs) bands (ev): -13.3207 -13.3206 -13.0832 -13.0832 -11.3716 -11.3715 -9.9113 -9.9094 -8.9261 -8.9209 -8.6779 -8.6694 -3.4781 -3.4771 -1.9227 -1.9174 -1.4846 -1.4841 -1.3415 -1.3312 -1.1113 -1.1058 -0.7668 -0.7608 0.6629 0.6671 0.8695 0.8810 1.7511 1.7597 2.0557 2.0558 2.5207 2.5228 2.7534 2.7642 2.9527 2.9583 3.5250 3.5269 3.5757 3.5769 4.2298 4.2322 4.7587 4.7654 4.8097 4.8128 12.1352 12.1453 12.4800 12.4812 12.6853 12.6854 13.0477 13.0487 13.5188 13.5284 k =-0.3459 0.5585 0.0489 ( 4325 PWs) bands (ev): -13.3198 -13.3197 -13.0837 -13.0837 -11.3668 -11.3667 -9.9086 -9.9067 -8.9375 -8.9324 -8.6824 -8.6740 -3.4660 -3.4651 -1.9522 -1.9468 -1.4865 -1.4861 -1.2990 -1.2889 -1.1041 -1.0986 -0.7827 -0.7768 0.6658 0.6701 0.8763 0.8876 1.7431 1.7515 2.0535 2.0535 2.5212 2.5230 2.7476 2.7581 2.9611 2.9666 3.5156 3.5178 3.5875 3.5883 4.2287 4.2311 4.7570 4.7637 4.8060 4.8091 12.1179 12.1279 12.4709 12.4721 12.6928 12.6933 13.0260 13.0270 13.5465 13.5556 k =-0.3459 0.5585 0.0652 ( 4323 PWs) bands (ev): -13.3186 -13.3185 -13.0843 -13.0843 -11.3600 -11.3600 -9.9049 -9.9030 -8.9534 -8.9483 -8.6886 -8.6803 -3.4493 -3.4484 -1.9873 -1.9820 -1.4894 -1.4889 -1.2457 -1.2357 -1.0938 -1.0884 -0.8044 -0.7987 0.6699 0.6743 0.8855 0.8964 1.7319 1.7400 2.0504 2.0504 2.5220 2.5237 2.7395 2.7496 2.9725 2.9778 3.5061 3.5086 3.6001 3.6006 4.2272 4.2295 4.7546 4.7613 4.8009 4.8039 12.0959 12.1058 12.4585 12.4596 12.7024 12.7037 12.9957 12.9968 13.5833 13.5917 k =-0.3459 0.5585 0.0815 ( 4323 PWs) bands (ev): -13.3170 -13.3169 -13.0851 -13.0851 -11.3514 -11.3514 -9.9001 -9.8982 -8.9736 -8.9686 -8.6966 -8.6884 -3.4281 -3.4273 -2.0253 -2.0200 -1.4932 -1.4927 -1.1847 -1.1747 -1.0805 -1.0751 -0.8313 -0.8260 0.6752 0.6796 0.8965 0.9069 1.7177 1.7254 2.0464 2.0465 2.5236 2.5249 2.7289 2.7385 2.9866 2.9918 3.4969 3.4996 3.6134 3.6136 4.2253 4.2276 4.7515 4.7581 4.7943 4.7973 12.0709 12.0807 12.4429 12.4440 12.7138 12.7158 12.9575 12.9586 13.6272 13.6349 k =-0.3459 0.5585 0.0978 ( 4337 PWs) bands (ev): -13.3151 -13.3150 -13.0862 -13.0861 -11.3408 -11.3408 -9.8942 -9.8924 -8.9979 -8.9929 -8.7063 -8.6982 -3.4027 -3.4020 -2.0642 -2.0589 -1.4981 -1.4976 -1.1183 -1.1083 -1.0638 -1.0585 -0.8627 -0.8577 0.6817 0.6862 0.9088 0.9187 1.7006 1.7079 2.0417 2.0418 2.5259 2.5269 2.7157 2.7248 3.0033 3.0082 3.4879 3.4908 3.6270 3.6272 4.2231 4.2253 4.7477 4.7542 4.7862 4.7891 12.0444 12.0541 12.4244 12.4255 12.7264 12.7292 12.9124 12.9136 13.6760 13.6768 k =-0.3459 0.5585 0.1141 ( 4338 PWs) bands (ev): -13.3129 -13.3128 -13.0874 -13.0873 -11.3284 -11.3284 -9.8873 -9.8856 -9.0261 -9.0213 -8.7177 -8.7096 -3.3733 -3.3727 -2.1027 -2.0975 -1.5041 -1.5037 -1.0501 -1.0428 -1.0395 -1.0383 -0.8970 -0.8923 0.6893 0.6939 0.9221 0.9314 1.6806 1.6875 2.0362 2.0364 2.5292 2.5298 2.6999 2.7083 3.0220 3.0268 3.4792 3.4823 3.6410 3.6415 4.2206 4.2228 4.7430 4.7494 4.7767 4.7796 12.0177 12.0275 12.4029 12.4039 12.7402 12.7438 12.8624 12.8636 13.6700 13.6709 k =-0.3459 0.5585 0.1304 ( 4328 PWs) bands (ev): -13.3103 -13.3102 -13.0887 -13.0887 -11.3141 -11.3141 -9.8793 -9.8776 -9.0581 -9.0534 -8.7307 -8.7228 -3.3401 -3.3397 -2.1400 -2.1349 -1.5115 -1.5111 -1.0209 -1.0154 -0.9877 -0.9796 -0.9233 -0.9174 0.6982 0.7029 0.9357 0.9444 1.6581 1.6644 2.0302 2.0305 2.5336 2.5338 2.6814 2.6891 3.0426 3.0472 3.4708 3.4741 3.6554 3.6563 4.2178 4.2199 4.7374 4.7438 4.7658 4.7686 11.9921 12.0019 12.3783 12.3792 12.7549 12.7592 12.8095 12.8108 13.6640 13.6649 k =-0.3459 0.5585 0.1467 ( 4334 PWs) bands (ev): -13.3075 -13.3074 -13.0903 -13.0903 -11.2979 -11.2978 -9.8703 -9.8687 -9.0936 -9.0890 -8.7452 -8.7375 -3.3036 -3.3033 -2.1753 -2.1704 -1.5202 -1.5198 -0.9981 -0.9925 -0.9925 -0.9883 -0.8805 -0.8712 0.7083 0.7130 0.9492 0.9573 1.6330 1.6388 2.0239 2.0242 2.5389 2.5390 2.6601 2.6669 3.0648 3.0691 3.4626 3.4660 3.6702 3.6715 4.2149 4.2170 4.7309 4.7371 4.7535 4.7563 11.9685 11.9784 12.3502 12.3510 12.7561 12.7574 12.7707 12.7757 13.6580 13.6587 k =-0.3459 0.5585 0.1630 ( 4332 PWs) bands (ev): -13.3043 -13.3042 -13.0921 -13.0921 -11.2798 -11.2797 -9.8603 -9.8587 -9.1323 -9.1279 -8.7613 -8.7538 -3.2640 -3.2639 -2.2085 -2.2037 -1.5303 -1.5299 -1.0393 -1.0355 -0.9633 -0.9582 -0.8047 -0.7950 0.7195 0.7244 0.9623 0.9697 1.6056 1.6108 2.0173 2.0178 2.5450 2.5454 2.6358 2.6418 3.0882 3.0923 3.4546 3.4582 3.6854 3.6870 4.2118 4.2139 4.7234 4.7295 4.7399 4.7427 11.9477 11.9576 12.3182 12.3188 12.7050 12.7063 12.7869 12.7926 13.6511 13.6517 k =-0.3459 0.5585 0.1793 ( 4332 PWs) bands (ev): -13.3008 -13.3007 -13.0940 -13.0940 -11.2599 -11.2598 -9.8492 -9.8477 -9.1741 -9.1698 -8.7789 -8.7715 -3.2217 -3.2217 -2.2391 -2.2345 -1.5418 -1.5415 -1.0872 -1.0838 -0.9293 -0.9243 -0.7241 -0.7144 0.7320 0.7371 0.9745 0.9813 1.5760 1.5806 2.0109 2.0115 2.5520 2.5526 2.6085 2.6136 3.1125 3.1165 3.4468 3.4505 3.7009 3.7030 4.2088 4.2108 4.7148 4.7207 4.7251 4.7279 11.9302 11.9403 12.2817 12.2821 12.6582 12.6594 12.8039 12.8102 13.6428 13.6434 k =-0.3459 0.5585 0.1956 ( 4341 PWs) bands (ev): -13.2971 -13.2970 -13.0962 -13.0962 -11.2381 -11.2379 -9.8370 -9.8356 -9.2186 -9.2144 -8.7978 -8.7907 -3.1771 -3.1770 -2.2670 -2.2626 -1.5548 -1.5545 -1.1378 -1.1348 -0.8916 -0.8867 -0.6417 -0.6319 0.7458 0.7510 0.9855 0.9916 1.5444 1.5483 2.0048 2.0055 2.5595 2.5603 2.5782 2.5825 3.1375 3.1413 3.4393 3.4431 3.7169 3.7194 4.2058 4.2077 4.7052 4.7091 4.7097 4.7129 11.9166 11.9269 12.2408 12.2408 12.6174 12.6185 12.8213 12.8282 13.6324 13.6329 k =-0.3459 0.5585 0.2119 ( 4345 PWs) bands (ev): -13.2931 -13.2930 -13.0985 -13.0985 -11.2145 -11.2143 -9.8239 -9.8225 -9.2656 -9.2615 -8.8181 -8.8112 -3.1305 -3.1302 -2.2920 -2.2878 -1.5693 -1.5690 -1.1902 -1.1875 -0.8503 -0.8456 -0.5581 -0.5484 0.7607 0.7661 0.9951 1.0006 1.5108 1.5141 1.9994 2.0003 2.5443 2.5471 2.5680 2.5695 3.1629 3.1665 3.4319 3.4358 3.7333 3.7361 4.2029 4.2048 4.6919 4.6937 4.6943 4.7006 11.9072 11.9177 12.1956 12.1959 12.5836 12.5844 12.8390 12.8465 13.6195 13.6200 k =-0.3459 0.5585 0.2282 ( 4339 PWs) bands (ev): -13.2889 -13.2888 -13.1011 -13.1010 -11.1890 -11.1888 -9.8097 -9.8084 -9.3148 -9.3109 -8.8397 -8.8329 -3.0822 -3.0817 -2.3140 -2.3100 -1.5852 -1.5849 -1.2438 -1.2414 -0.8054 -0.8009 -0.4741 -0.4643 0.7770 0.7826 1.0032 1.0080 1.4756 1.4781 1.9950 1.9961 2.5076 2.5095 2.5761 2.5777 3.1883 3.1918 3.4248 3.4288 3.7501 3.7533 4.2004 4.2022 4.6738 4.6756 4.6822 4.6882 11.9023 11.9129 12.1477 12.1484 12.5565 12.5572 12.8567 12.8648 13.6037 13.6041 k =-0.3459 0.5585 0.2445 ( 4339 PWs) bands (ev): -13.2844 -13.2843 -13.1038 -13.1038 -11.1618 -11.1616 -9.7945 -9.7933 -9.3661 -9.3623 -8.8624 -8.8559 -3.0325 -3.0319 -2.3330 -2.3292 -1.6026 -1.6023 -1.2983 -1.2962 -0.7570 -0.7528 -0.3899 -0.3802 0.7945 0.8003 1.0094 1.0136 1.4387 1.4406 1.9919 1.9932 2.4677 2.4686 2.5841 2.5858 3.2135 3.2168 3.4180 3.4220 3.7675 3.7709 4.1981 4.1999 4.6548 4.6565 4.6689 4.6747 11.9020 11.9128 12.0986 12.0998 12.5356 12.5361 12.8740 12.8827 13.5844 13.5849 k =-0.3459 0.5585 0.2608 ( 4337 PWs) bands (ev): -13.2797 -13.2796 -13.1067 -13.1067 -11.1328 -11.1325 -9.7783 -9.7773 -9.4190 -9.4154 -8.8862 -8.8799 -2.9817 -2.9810 -2.3490 -2.3454 -1.6215 -1.6212 -1.3533 -1.3514 -0.7052 -0.7012 -0.3061 -0.2964 0.8133 0.8193 1.0138 1.0174 1.4003 1.4015 1.9905 1.9919 2.4244 2.4246 2.5915 2.5933 3.2381 3.2413 3.4114 3.4155 3.7854 3.7891 4.1963 4.1981 4.6350 4.6366 4.6542 4.6599 11.9064 11.9173 12.0502 12.0517 12.5201 12.5203 12.8905 12.8998 13.5612 13.5618 k =-0.3459 0.5585 0.2771 ( 4341 PWs) bands (ev): -13.2748 -13.2747 -13.1098 -13.1098 -11.1021 -11.1017 -9.7612 -9.7602 -9.4735 -9.4700 -8.9110 -8.9050 -2.9301 -2.9293 -2.3618 -2.3584 -1.6418 -1.6416 -1.4086 -1.4069 -0.6500 -0.6464 -0.2230 -0.2134 0.8334 0.8396 1.0162 1.0191 1.3605 1.3611 1.9910 1.9926 2.3772 2.3785 2.5979 2.5999 3.2618 3.2647 3.4053 3.4094 3.8039 3.8079 4.1951 4.1968 4.6145 4.6160 4.6382 4.6438 11.9155 11.9265 12.0039 12.0058 12.5088 12.5089 12.9056 12.9154 13.5335 13.5344 k =-0.3459 0.5585 0.2934 ( 4341 PWs) bands (ev): -13.2697 -13.2696 -13.1131 -13.1131 -11.0696 -11.0692 -9.7430 -9.7422 -9.5292 -9.5259 -8.9367 -8.9309 -2.8781 -2.8772 -2.3715 -2.3683 -1.6635 -1.6633 -1.4638 -1.4623 -0.5917 -0.5884 -0.1409 -0.1314 0.8547 0.8612 1.0166 1.0189 1.3194 1.3195 1.9938 1.9956 2.3270 2.3293 2.6030 2.6051 3.2842 3.2869 3.3997 3.4038 3.8233 3.8275 4.1944 4.1962 4.5935 4.5948 4.6209 4.6263 11.9292 11.9401 11.9610 11.9634 12.5010 12.5010 12.9186 12.9290 13.5006 13.5017 k =-0.3459 0.5585 0.3097 ( 4345 PWs) bands (ev): -13.2644 -13.2643 -13.1166 -13.1166 -11.0354 -11.0350 -9.7240 -9.7233 -9.5861 -9.5829 -8.9633 -8.9578 -2.8257 -2.8247 -2.3781 -2.3751 -1.6867 -1.6865 -1.5188 -1.5174 -0.5303 -0.5274 -0.0604 -0.0510 0.8773 0.8840 1.0150 1.0166 1.2767 1.2773 1.9991 2.0011 2.2739 2.2774 2.6063 2.6086 3.3049 3.3075 3.3947 3.3988 3.8435 3.8480 4.1945 4.1962 4.5722 4.5733 4.6023 4.6075 11.9224 11.9249 11.9476 11.9588 12.4956 12.4958 12.9287 12.9396 13.4614 13.4630 k =-0.3459 0.5585 0.3260 ( 4343 PWs) bands (ev): -13.2590 -13.2589 -13.1203 -13.1203 -10.9995 -10.9990 -9.7040 -9.7034 -9.6437 -9.6407 -8.9906 -8.9854 -2.7733 -2.7723 -2.3816 -2.3788 -1.7112 -1.7111 -1.5732 -1.5721 -0.4662 -0.4636 0.0183 0.0275 0.9009 0.9078 1.0112 1.0123 1.2332 1.2342 2.0072 2.0094 2.2183 2.2228 2.6076 2.6100 3.3236 3.3259 3.3904 3.3945 3.8648 3.8694 4.1953 4.1971 4.5505 4.5514 4.5823 4.5874 11.8894 11.8922 11.9702 11.9814 12.4918 12.4921 12.9349 12.9462 13.4150 13.4175 k =-0.3459 0.5585 0.3423 ( 4346 PWs) bands (ev): -13.2535 -13.2534 -13.1242 -13.1241 -10.9620 -10.9615 -9.7021 -9.6993 -9.6829 -9.6826 -9.0186 -9.0136 -2.7211 -2.7200 -2.3821 -2.3795 -1.7371 -1.7371 -1.6270 -1.6260 -0.3994 -0.3973 0.0947 0.1038 0.9252 0.9321 1.0053 1.0059 1.1893 1.1906 2.0183 2.0206 2.1603 2.1659 2.6065 2.6090 3.3399 3.3419 3.3873 3.3913 3.8872 3.8918 4.1970 4.1987 4.5288 4.5295 4.5610 4.5661 11.8623 11.8654 11.9969 12.0082 12.4885 12.4888 12.9364 12.9481 13.3615 13.3648 k =-0.3459 0.5585 0.3586 ( 4346 PWs) bands (ev): -13.2478 -13.2477 -13.1282 -13.1282 -10.9229 -10.9223 -9.7609 -9.7582 -9.6612 -9.6610 -9.0471 -9.0424 -2.6692 -2.6681 -2.3795 -2.3771 -1.7644 -1.7644 -1.6799 -1.6790 -0.3304 -0.3288 0.1686 0.1775 0.9491 0.9558 0.9974 0.9974 1.1463 1.1477 2.0324 2.0349 2.1003 2.1069 2.6026 2.6052 3.3530 3.3549 3.3858 3.3897 3.9107 3.9154 4.1997 4.2013 4.5070 4.5075 4.5385 4.5435 11.8417 11.8451 12.0277 12.0389 12.4843 12.4846 12.9324 12.9443 13.3024 13.3066 k =-0.3459 0.5585 0.3749 ( 4340 PWs) bands (ev): -13.2421 -13.2420 -13.1325 -13.1324 -10.8822 -10.8815 -9.8201 -9.8174 -9.6386 -9.6385 -9.0761 -9.0717 -2.6178 -2.6166 -2.3739 -2.3717 -1.7931 -1.7931 -1.7318 -1.7310 -0.2593 -0.2582 0.2396 0.2483 0.9695 0.9746 0.9869 0.9877 1.1084 1.1085 2.0385 2.0457 2.0501 2.0524 2.5958 2.5984 3.3621 3.3639 3.3868 3.3905 3.9355 3.9402 4.2032 4.2049 4.4854 4.4857 4.5148 4.5197 11.8279 11.8316 12.0621 12.0733 12.4778 12.4779 12.9221 12.9341 13.2413 13.2461 k =-0.3459 0.5585 0.3912 ( 4347 PWs) bands (ev): -13.2363 -13.2362 -13.1369 -13.1368 -10.8399 -10.8392 -9.8794 -9.8769 -9.6152 -9.6151 -9.1056 -9.1014 -2.5670 -2.5658 -2.3653 -2.3633 -1.8231 -1.8231 -1.7825 -1.7818 -0.1865 -0.1859 0.3075 0.3159 0.9735 0.9735 0.9761 0.9787 1.0841 1.0878 1.9756 1.9840 2.0703 2.0729 2.5857 2.5884 3.3670 3.3690 3.3906 3.3937 3.9614 3.9661 4.2078 4.2094 4.4641 4.4642 4.4900 4.4948 11.8213 11.8253 12.0999 12.1111 12.4668 12.4668 12.9052 12.9172 13.1827 13.1878 k =-0.3459 0.5585 0.4075 ( 4341 PWs) bands (ev): -13.2304 -13.2303 -13.1414 -13.1414 -10.7962 -10.7954 -9.9387 -9.9363 -9.5910 -9.5908 -9.1353 -9.1314 -2.5169 -2.5157 -2.3539 -2.3520 -1.8544 -1.8544 -1.8318 -1.8312 -0.1123 -0.1123 0.3721 0.3801 0.9497 0.9524 0.9595 0.9613 1.0890 1.0966 1.9117 1.9209 2.0938 2.0966 2.5723 2.5750 3.3693 3.3715 3.3955 3.3981 3.9885 3.9931 4.2134 4.2150 4.4429 4.4430 4.4641 4.4688 11.8220 11.8261 12.1407 12.1519 12.4490 12.4495 12.8819 12.8938 13.1312 13.1362 k =-0.3459 0.5585 0.4238 ( 4343 PWs) bands (ev): -13.2245 -13.2244 -13.1462 -13.1461 -10.7510 -10.7501 -9.9978 -9.9956 -9.5662 -9.5657 -9.1652 -9.1616 -2.4676 -2.4665 -2.3396 -2.3379 -1.8873 -1.8871 -1.8793 -1.8791 -0.0378 -0.0371 0.4331 0.4408 0.9054 0.9095 0.9425 0.9446 1.1140 1.1232 1.8473 1.8573 2.1203 2.1231 2.5555 2.5582 3.3710 3.3733 3.3998 3.4019 4.0166 4.0212 4.2201 4.2217 4.4221 4.4225 4.4373 4.4419 11.8299 11.8342 12.1843 12.1955 12.4229 12.4239 12.8525 12.8642 13.0902 13.0949 k =-0.3459 0.5585 0.4401 ( 4343 PWs) bands (ev): -13.2185 -13.2184 -13.1511 -13.1510 -10.7043 -10.7034 -10.0567 -10.0546 -9.5406 -9.5400 -9.1953 -9.1919 -2.4192 -2.4181 -2.3225 -2.3210 -1.9269 -1.9257 -1.9207 -1.9200 0.0374 0.0386 0.4905 0.4979 0.8536 0.8583 0.9235 0.9260 1.1474 1.1575 1.7830 1.7937 2.1495 2.1523 2.5353 2.5381 3.3730 3.3751 3.4026 3.4045 4.0456 4.0501 4.2279 4.2294 4.4018 4.4025 4.4096 4.4143 11.8451 11.8496 12.2303 12.2415 12.3876 12.3892 12.8176 12.8291 13.0620 13.0662 k =-0.3459 0.5585 0.4564 ( 4344 PWs) bands (ev): -13.2126 -13.2125 -13.1561 -13.1561 -10.6563 -10.6553 -10.1152 -10.1132 -9.5143 -9.5135 -9.2255 -9.2223 -2.3717 -2.3706 -2.3027 -2.3013 -1.9711 -1.9703 -1.9560 -1.9554 0.1127 0.1145 0.5442 0.5512 0.7977 0.8027 0.9024 0.9053 1.1855 1.1961 1.7192 1.7304 2.1810 2.1838 2.5119 2.5147 3.3754 3.3775 3.4039 3.4056 4.0754 4.0798 4.2368 4.2382 4.3809 4.3813 4.3833 4.3866 11.8673 11.8719 12.2783 12.2895 12.3439 12.3461 12.7779 12.7893 13.0469 13.0505 k =-0.3459 0.5585 0.4727 ( 4344 PWs) bands (ev): -13.2067 -13.2066 -13.1613 -13.1613 -10.6070 -10.6059 -10.1732 -10.1713 -9.4874 -9.4864 -9.2556 -9.2527 -2.3252 -2.3242 -2.2802 -2.2789 -2.0139 -2.0131 -1.9923 -1.9917 0.1877 0.1902 0.5943 0.6009 0.7388 0.7439 0.8789 0.8823 1.2270 1.2381 1.6563 1.6680 2.2144 2.2172 2.4855 2.4883 3.3783 3.3803 3.4038 3.4054 4.1057 4.1100 4.2467 4.2481 4.3517 4.3553 4.3645 4.3646 11.8964 11.9010 12.2927 12.2962 12.3288 12.3392 12.7344 12.7455 13.0438 13.0468 k =-0.3459 0.5585 0.4890 ( 4346 PWs) bands (ev): -13.2007 -13.2006 -13.1667 -13.1666 -10.5565 -10.5553 -10.2305 -10.2287 -9.4599 -9.4587 -9.2856 -9.2830 -2.2798 -2.2788 -2.2551 -2.2540 -2.0549 -2.0540 -2.0299 -2.0293 0.2622 0.2652 0.6407 0.6470 0.6773 0.6824 0.8531 0.8569 1.2715 1.2830 1.5948 1.6068 2.2492 2.2520 2.4563 2.4591 3.3818 3.3836 3.4025 3.4040 4.1365 4.1407 4.2578 4.2591 4.3219 4.3258 4.3462 4.3467 11.9318 11.9365 12.2382 12.2419 12.3795 12.3902 12.6877 12.6987 13.0508 13.0533 k =-0.3459 0.5585 0.5053 ( 4340 PWs) bands (ev): -13.1949 -13.1948 -13.1721 -13.1720 -10.5047 -10.5034 -10.2872 -10.2855 -9.4319 -9.4304 -9.3155 -9.3131 -2.2355 -2.2347 -2.2273 -2.2264 -2.0938 -2.0929 -2.0687 -2.0679 0.3357 0.3392 0.6130 0.6181 0.6839 0.6898 0.8249 0.8291 1.3190 1.3308 1.5350 1.5472 2.2848 2.2876 2.4248 2.4276 3.3856 3.3873 3.4001 3.4016 4.1675 4.1717 4.2699 4.2710 4.2917 4.2956 4.3290 4.3297 11.9731 11.9779 12.1816 12.1856 12.4314 12.4421 12.6387 12.6496 13.0660 13.0681 k =-0.3459 0.5585 0.5216 ( 4342 PWs) bands (ev): -13.1891 -13.1890 -13.1777 -13.1776 -10.4518 -10.4505 -10.3430 -10.3414 -9.4034 -9.4017 -9.3451 -9.3430 -2.1980 -2.1969 -2.1918 -2.1908 -2.1306 -2.1297 -2.1086 -2.1078 0.4077 0.4118 0.5467 0.5515 0.7237 0.7291 0.7940 0.7986 1.3691 1.3812 1.4773 1.4896 2.3208 2.3236 2.3913 2.3941 3.3895 3.3911 3.3970 3.3985 4.1987 4.2028 4.2607 4.2649 4.2832 4.2844 4.3127 4.3136 12.0198 12.0244 12.1252 12.1295 12.4838 12.4945 12.5879 12.5987 13.0876 13.0893 k =-0.3459 0.5585 0.5379 ( 4344 PWs) bands (ev): -13.1833 -13.1833 -13.1832 -13.1832 -10.3979 -10.3979 -10.3964 -10.3964 -9.3744 -9.3744 -9.3725 -9.3725 -2.1656 -2.1656 -2.1647 -2.1647 -2.1494 -2.1494 -2.1485 -2.1485 0.4782 0.4782 0.4827 0.4827 0.7603 0.7603 0.7654 0.7654 1.4220 1.4220 1.4342 1.4342 2.3565 2.3565 2.3593 2.3593 3.3934 3.3934 3.3949 3.3949 4.2298 4.2298 4.2339 4.2339 4.2975 4.2975 4.2985 4.2985 12.0708 12.0708 12.0753 12.0753 12.5361 12.5361 12.5469 12.5469 13.1142 13.1142 k =-0.3459 0.5585 0.5379 ( 4344 PWs) bands (ev): -13.1833 -13.1833 -13.1832 -13.1832 -10.3979 -10.3979 -10.3964 -10.3964 -9.3744 -9.3744 -9.3725 -9.3725 -2.1656 -2.1656 -2.1647 -2.1647 -2.1494 -2.1494 -2.1485 -2.1485 0.4782 0.4782 0.4827 0.4827 0.7603 0.7603 0.7654 0.7654 1.4220 1.4220 1.4342 1.4342 2.3565 2.3565 2.3593 2.3593 3.3934 3.3934 3.3949 3.3949 4.2298 4.2298 4.2339 4.2339 4.2975 4.2975 4.2985 4.2985 12.0708 12.0708 12.0753 12.0753 12.5361 12.5361 12.5469 12.5469 13.1142 13.1142 k =-0.3545 0.5447 0.5379 ( 4336 PWs) bands (ev): -13.1802 -13.1802 -13.1801 -13.1801 -10.4262 -10.4262 -10.4248 -10.4248 -9.3428 -9.3428 -9.3409 -9.3409 -2.2380 -2.2380 -2.2370 -2.2370 -2.1097 -2.1097 -2.1089 -2.1089 0.4997 0.4997 0.5043 0.5043 0.7676 0.7676 0.7723 0.7723 1.4250 1.4250 1.4371 1.4371 2.3698 2.3698 2.3725 2.3725 3.3830 3.3830 3.3846 3.3846 4.2050 4.2050 4.2091 4.2091 4.3270 4.3270 4.3280 4.3280 12.0188 12.0188 12.0232 12.0232 12.5271 12.5271 12.5373 12.5373 13.1441 13.1441 k =-0.3630 0.5308 0.5379 ( 4328 PWs) bands (ev): -13.1772 -13.1772 -13.1771 -13.1771 -10.4531 -10.4531 -10.4517 -10.4517 -9.3118 -9.3118 -9.3100 -9.3100 -2.3083 -2.3083 -2.3073 -2.3073 -2.0719 -2.0719 -2.0711 -2.0711 0.5191 0.5191 0.5238 0.5238 0.7746 0.7746 0.7791 0.7791 1.4290 1.4290 1.4410 1.4410 2.3840 2.3840 2.3865 2.3865 3.3717 3.3717 3.3735 3.3735 4.1817 4.1817 4.1858 4.1858 4.3570 4.3570 4.3581 4.3581 11.9672 11.9672 11.9714 11.9714 12.5170 12.5170 12.5267 12.5267 13.1747 13.1747 k =-0.3716 0.5170 0.5379 ( 4332 PWs) bands (ev): -13.1744 -13.1744 -13.1743 -13.1743 -10.4785 -10.4785 -10.4772 -10.4772 -9.2816 -9.2816 -9.2798 -9.2798 -2.3760 -2.3760 -2.3750 -2.3750 -2.0363 -2.0363 -2.0355 -2.0355 0.5366 0.5366 0.5412 0.5412 0.7814 0.7814 0.7856 0.7856 1.4341 1.4341 1.4457 1.4457 2.3989 2.3989 2.4012 2.4012 3.3596 3.3596 3.3615 3.3615 4.1599 4.1599 4.1640 4.1640 4.3873 4.3873 4.3883 4.3883 11.9165 11.9165 11.9206 11.9206 12.5065 12.5065 12.5155 12.5155 13.2054 13.2054 k =-0.3801 0.5032 0.5379 ( 4340 PWs) bands (ev): -13.1717 -13.1717 -13.1716 -13.1716 -10.5023 -10.5023 -10.5011 -10.5011 -9.2524 -9.2524 -9.2507 -9.2507 -2.4408 -2.4408 -2.4397 -2.4397 -2.0030 -2.0030 -2.0022 -2.0022 0.5522 0.5522 0.5568 0.5568 0.7880 0.7880 0.7919 0.7919 1.4398 1.4398 1.4511 1.4511 2.4144 2.4144 2.4165 2.4165 3.3469 3.3469 3.3487 3.3487 4.1397 4.1397 4.1437 4.1437 4.4176 4.4176 4.4186 4.4186 11.8675 11.8675 11.8713 11.8713 12.4960 12.4960 12.5044 12.5044 13.2355 13.2355 k =-0.3887 0.4894 0.5379 ( 4336 PWs) bands (ev): -13.1692 -13.1692 -13.1692 -13.1692 -10.5247 -10.5247 -10.5236 -10.5236 -9.2243 -9.2243 -9.2227 -9.2227 -2.5024 -2.5024 -2.5014 -2.5014 -1.9719 -1.9719 -1.9711 -1.9711 0.5660 0.5660 0.5705 0.5705 0.7944 0.7944 0.7979 0.7979 1.4462 1.4462 1.4570 1.4570 2.4302 2.4302 2.4321 2.4321 3.3336 3.3336 3.3355 3.3355 4.1211 4.1211 4.1249 4.1249 4.4476 4.4476 4.4485 4.4485 11.8204 11.8204 11.8241 11.8241 12.4860 12.4860 12.4938 12.4938 13.2647 13.2647 k =-0.3973 0.4755 0.5379 ( 4340 PWs) bands (ev): -13.1669 -13.1669 -13.1669 -13.1669 -10.5454 -10.5454 -10.5444 -10.5444 -9.1975 -9.1975 -9.1960 -9.1960 -2.5606 -2.5606 -2.5597 -2.5597 -1.9431 -1.9431 -1.9424 -1.9424 0.5782 0.5782 0.5825 0.5825 0.8004 0.8004 0.8036 0.8036 1.4529 1.4529 1.4632 1.4632 2.4462 2.4462 2.4480 2.4480 3.3199 3.3199 3.3217 3.3217 4.1040 4.1040 4.1077 4.1077 4.4770 4.4770 4.4779 4.4779 11.7757 11.7757 11.7791 11.7791 12.4770 12.4770 12.4842 12.4842 13.2925 13.2925 k =-0.4058 0.4617 0.5379 ( 4342 PWs) bands (ev): -13.1648 -13.1648 -13.1647 -13.1647 -10.5646 -10.5646 -10.5637 -10.5637 -9.1721 -9.1721 -9.1707 -9.1707 -2.6152 -2.6152 -2.6143 -2.6143 -1.9166 -1.9166 -1.9159 -1.9159 0.5889 0.5889 0.5930 0.5930 0.8060 0.8060 0.8090 0.8090 1.4599 1.4599 1.4696 1.4696 2.4621 2.4621 2.4638 2.4638 3.3060 3.3060 3.3078 3.3078 4.0885 4.0885 4.0920 4.0920 4.5056 4.5056 4.5065 4.5065 11.7337 11.7337 11.7369 11.7369 12.4691 12.4691 12.4757 12.4757 13.3188 13.3189 k =-0.4144 0.4479 0.5379 ( 4330 PWs) bands (ev): -13.1628 -13.1628 -13.1628 -13.1628 -10.5822 -10.5822 -10.5813 -10.5813 -9.1483 -9.1483 -9.1469 -9.1469 -2.6660 -2.6660 -2.6650 -2.6650 -1.8924 -1.8924 -1.8917 -1.8917 0.5982 0.5982 0.6020 0.6020 0.8114 0.8114 0.8141 0.8141 1.4669 1.4669 1.4759 1.4759 2.4779 2.4779 2.4794 2.4794 3.2921 3.2921 3.2937 3.2937 4.0746 4.0746 4.0779 4.0779 4.5330 4.5330 4.5338 4.5338 11.6946 11.6946 11.6975 11.6975 12.4626 12.4626 12.4687 12.4687 13.3433 13.3436 k =-0.4229 0.4341 0.5379 ( 4326 PWs) bands (ev): -13.1611 -13.1611 -13.1610 -13.1610 -10.5982 -10.5982 -10.5974 -10.5974 -9.1262 -9.1262 -9.1250 -9.1250 -2.7126 -2.7126 -2.7117 -2.7117 -1.8705 -1.8705 -1.8698 -1.8698 0.6062 0.6062 0.6097 0.6097 0.8163 0.8163 0.8187 0.8187 1.4737 1.4737 1.4819 1.4819 2.4932 2.4932 2.4946 2.4946 3.2783 3.2783 3.2799 3.2799 4.0622 4.0622 4.0652 4.0652 4.5590 4.5590 4.5597 4.5597 11.6587 11.6587 11.6613 11.6613 12.4577 12.4577 12.4631 12.4631 13.3657 13.3658 k =-0.4315 0.4203 0.5379 ( 4330 PWs) bands (ev): -13.1595 -13.1595 -13.1594 -13.1594 -10.6125 -10.6125 -10.6118 -10.6118 -9.1060 -9.1060 -9.1049 -9.1049 -2.7549 -2.7549 -2.7541 -2.7541 -1.8508 -1.8508 -1.8503 -1.8503 0.6131 0.6131 0.6163 0.6163 0.8208 0.8208 0.8229 0.8229 1.4802 1.4802 1.4877 1.4877 2.5079 2.5079 2.5091 2.5091 3.2650 3.2650 3.2664 3.2664 4.0512 4.0512 4.0539 4.0539 4.5831 4.5831 4.5838 4.5838 11.6261 11.6261 11.6285 11.6285 12.4543 12.4543 12.4591 12.4591 13.3861 13.3864 k =-0.4401 0.4064 0.5379 ( 4350 PWs) bands (ev): -13.1581 -13.1581 -13.1581 -13.1581 -10.6251 -10.6251 -10.6245 -10.6245 -9.0878 -9.0878 -9.0868 -9.0868 -2.7927 -2.7927 -2.7920 -2.7920 -1.8335 -1.8335 -1.8330 -1.8330 0.6189 0.6189 0.6218 0.6218 0.8248 0.8248 0.8267 0.8267 1.4863 1.4863 1.4930 1.4930 2.5217 2.5217 2.5228 2.5228 3.2523 3.2523 3.2536 3.2536 4.0417 4.0417 4.0441 4.0441 4.6053 4.6053 4.6059 4.6059 11.5970 11.5970 11.5991 11.5991 12.4523 12.4523 12.4565 12.4565 13.4042 13.4043 k =-0.4486 0.3926 0.5379 ( 4354 PWs) bands (ev): -13.1569 -13.1569 -13.1568 -13.1568 -10.6361 -10.6361 -10.6356 -10.6356 -9.0717 -9.0717 -9.0709 -9.0709 -2.8259 -2.8259 -2.8252 -2.8252 -1.8185 -1.8185 -1.8181 -1.8181 0.6238 0.6238 0.6263 0.6263 0.8284 0.8284 0.8300 0.8300 1.4919 1.4919 1.4977 1.4977 2.5344 2.5344 2.5353 2.5353 3.2406 3.2406 3.2418 3.2418 4.0335 4.0335 4.0356 4.0356 4.6251 4.6251 4.6256 4.6256 11.5716 11.5716 11.5733 11.5733 12.4516 12.4516 12.4552 12.4552 13.4200 13.4200 k =-0.4572 0.3788 0.5379 ( 4366 PWs) bands (ev): -13.1558 -13.1558 -13.1558 -13.1558 -10.6454 -10.6454 -10.6450 -10.6450 -9.0579 -9.0579 -9.0572 -9.0572 -2.8542 -2.8542 -2.8537 -2.8537 -1.8058 -1.8058 -1.8055 -1.8055 0.6279 0.6279 0.6300 0.6300 0.8315 0.8315 0.8329 0.8329 1.4969 1.4969 1.5017 1.5017 2.5457 2.5457 2.5465 2.5465 3.2302 3.2302 3.2311 3.2311 4.0267 4.0267 4.0285 4.0285 4.6423 4.6423 4.6427 4.6427 11.5499 11.5499 11.5513 11.5513 12.4519 12.4519 12.4549 12.4549 13.4334 13.4336 k =-0.4658 0.3650 0.5379 ( 4358 PWs) bands (ev): -13.1550 -13.1550 -13.1550 -13.1550 -10.6531 -10.6531 -10.6527 -10.6527 -9.0464 -9.0464 -9.0458 -9.0458 -2.8776 -2.8776 -2.8771 -2.8771 -1.7954 -1.7954 -1.7951 -1.7951 0.6311 0.6311 0.6328 0.6328 0.8341 0.8341 0.8352 0.8352 1.5011 1.5011 1.5050 1.5050 2.5554 2.5554 2.5560 2.5560 3.2211 3.2211 3.2219 3.2219 4.0212 4.0212 4.0227 4.0227 4.6567 4.6567 4.6571 4.6571 11.5320 11.5320 11.5332 11.5332 12.4528 12.4528 12.4553 12.4553 13.4444 13.4445 k =-0.4743 0.3511 0.5379 ( 4358 PWs) bands (ev): -13.1543 -13.1543 -13.1543 -13.1543 -10.6590 -10.6590 -10.6587 -10.6587 -9.0374 -9.0374 -9.0370 -9.0370 -2.8958 -2.8958 -2.8955 -2.8955 -1.7874 -1.7874 -1.7871 -1.7871 0.6336 0.6336 0.6349 0.6349 0.8362 0.8362 0.8370 0.8370 1.5046 1.5046 1.5076 1.5076 2.5632 2.5632 2.5637 2.5637 3.2139 3.2139 3.2144 3.2144 4.0171 4.0171 4.0181 4.0181 4.6681 4.6681 4.6684 4.6684 11.5181 11.5181 11.5190 11.5190 12.4542 12.4542 12.4560 12.4560 13.4530 13.4531 k =-0.4829 0.3373 0.5379 ( 4370 PWs) bands (ev): -13.1539 -13.1539 -13.1539 -13.1539 -10.6632 -10.6632 -10.6630 -10.6630 -9.0309 -9.0309 -9.0306 -9.0306 -2.9089 -2.9089 -2.9087 -2.9087 -1.7816 -1.7816 -1.7814 -1.7814 0.6355 0.6355 0.6364 0.6364 0.8377 0.8377 0.8382 0.8382 1.5073 1.5073 1.5092 1.5092 2.5690 2.5690 2.5693 2.5693 3.2085 3.2085 3.2089 3.2089 4.0141 4.0141 4.0149 4.0149 4.6764 4.6764 4.6766 4.6766 11.5081 11.5081 11.5087 11.5087 12.4555 12.4555 12.4567 12.4567 13.4591 13.4592 k =-0.4914 0.3235 0.5379 ( 4372 PWs) bands (ev): -13.1536 -13.1536 -13.1536 -13.1536 -10.6657 -10.6657 -10.6657 -10.6657 -9.0269 -9.0269 -9.0268 -9.0268 -2.9168 -2.9168 -2.9167 -2.9167 -1.7781 -1.7781 -1.7780 -1.7780 0.6367 0.6367 0.6371 0.6371 0.8387 0.8387 0.8389 0.8389 1.5091 1.5091 1.5101 1.5101 2.5726 2.5726 2.5727 2.5727 3.2053 3.2053 3.2055 3.2055 4.0125 4.0125 4.0128 4.0128 4.6815 4.6815 4.6815 4.6815 11.5022 11.5022 11.5025 11.5025 12.4566 12.4566 12.4572 12.4572 13.4628 13.4629 k =-0.5000 0.3097 0.5379 ( 4368 PWs) bands (ev): -13.1535 -13.1535 -13.1535 -13.1535 -10.6665 -10.6665 -10.6665 -10.6665 -9.0255 -9.0255 -9.0255 -9.0255 -2.9194 -2.9194 -2.9194 -2.9194 -1.7769 -1.7769 -1.7769 -1.7769 0.6372 0.6372 0.6372 0.6372 0.8391 0.8391 0.8391 0.8391 1.5100 1.5100 1.5100 1.5100 2.5738 2.5738 2.5738 2.5738 3.2042 3.2042 3.2042 3.2042 4.0120 4.0120 4.0120 4.0120 4.6832 4.6832 4.6832 4.6832 11.5003 11.5003 11.5003 11.5003 12.4572 12.4572 12.4572 12.4572 13.4641 13.4641 k =-0.5000 0.3097 0.5379 ( 4368 PWs) bands (ev): -13.1535 -13.1535 -13.1535 -13.1535 -10.6665 -10.6665 -10.6665 -10.6665 -9.0255 -9.0255 -9.0255 -9.0255 -2.9194 -2.9194 -2.9194 -2.9194 -1.7769 -1.7769 -1.7769 -1.7769 0.6372 0.6372 0.6372 0.6372 0.8391 0.8391 0.8391 0.8391 1.5100 1.5100 1.5100 1.5100 2.5738 2.5738 2.5738 2.5738 3.2042 3.2042 3.2042 3.2042 4.0120 4.0120 4.0120 4.0120 4.6832 4.6832 4.6832 4.6832 11.5003 11.5003 11.5003 11.5003 12.4572 12.4572 12.4572 12.4572 13.4641 13.4641 k =-0.5000 0.3097 0.5216 ( 4376 PWs) bands (ev): -13.1579 -13.1579 -13.1491 -13.1491 -10.7229 -10.7229 -10.6091 -10.6091 -9.0283 -9.0283 -9.0229 -9.0229 -2.9196 -2.9196 -2.9161 -2.9161 -1.8207 -1.8207 -1.7357 -1.7357 0.5457 0.5457 0.7279 0.7279 0.8358 0.8358 0.8403 0.8403 1.4877 1.4877 1.5359 1.5359 2.5691 2.5691 2.5758 2.5758 3.1868 3.1868 3.2195 3.2195 3.9871 3.9871 4.0377 4.0377 4.6821 4.6821 4.6851 4.6851 11.4951 11.4951 11.5141 11.5141 12.4536 12.4536 12.4571 12.4571 13.4230 13.4230 k =-0.5000 0.3097 0.5053 ( 4364 PWs) bands (ev): -13.1624 -13.1624 -13.1448 -13.1448 -10.7782 -10.7782 -10.5506 -10.5506 -9.0314 -9.0314 -9.0205 -9.0205 -2.9168 -2.9168 -2.9097 -2.9097 -1.8674 -1.8674 -1.6971 -1.6971 0.4548 0.4548 0.8156 0.8156 0.8303 0.8303 0.8395 0.8395 1.4706 1.4706 1.5643 1.5643 2.5618 2.5618 2.5754 2.5754 3.1672 3.1672 3.2328 3.2328 3.9632 3.9632 4.0639 4.0639 4.6819 4.6819 4.6878 4.6878 11.4983 11.4983 11.5365 11.5365 12.4461 12.4461 12.4537 12.4537 13.3813 13.3813 k =-0.5000 0.3097 0.4890 ( 4360 PWs) bands (ev): -13.1669 -13.1669 -13.1406 -13.1406 -10.8322 -10.8322 -10.4912 -10.4912 -9.0345 -9.0345 -9.0183 -9.0183 -2.9109 -2.9109 -2.9003 -2.9003 -1.9169 -1.9169 -1.6610 -1.6610 0.3654 0.3654 0.8223 0.8223 0.8366 0.8366 0.8977 0.8977 1.4616 1.4616 1.5945 1.5945 2.5517 2.5517 2.5726 2.5726 3.1455 3.1455 3.2441 3.2441 3.9402 3.9402 4.0905 4.0905 4.6826 4.6826 4.6913 4.6913 11.5095 11.5095 11.5676 11.5676 12.4345 12.4345 12.4474 12.4474 13.3393 13.3393 k =-0.5000 0.3097 0.4727 ( 4364 PWs) bands (ev): -13.1714 -13.1714 -13.1365 -13.1365 -10.8849 -10.8849 -10.4309 -10.4309 -9.0379 -9.0379 -9.0163 -9.0163 -2.9020 -2.9020 -2.8880 -2.8880 -1.9693 -1.9693 -1.6272 -1.6272 0.2784 0.2784 0.8120 0.8120 0.8318 0.8318 0.9690 0.9690 1.4648 1.4648 1.6259 1.6259 2.5389 2.5389 2.5676 2.5676 3.1221 3.1221 3.2539 3.2539 3.9183 3.9183 4.1171 4.1171 4.6843 4.6843 4.6954 4.6954 11.5286 11.5286 11.6072 11.6072 12.4190 12.4190 12.4388 12.4388 13.2976 13.2976 k =-0.5000 0.3097 0.4564 ( 4360 PWs) bands (ev): -13.1760 -13.1760 -13.1325 -13.1325 -10.9362 -10.9362 -10.3699 -10.3699 -9.0414 -9.0414 -9.0145 -9.0145 -2.8900 -2.8900 -2.8727 -2.8727 -2.0246 -2.0246 -1.5955 -1.5955 0.1942 0.1942 0.7990 0.7990 0.8250 0.8250 1.0243 1.0243 1.4855 1.4855 1.6582 1.6582 2.5232 2.5232 2.5607 2.5607 3.0971 3.0971 3.2621 3.2621 3.8974 3.8974 4.1437 4.1437 4.6871 4.6871 4.7002 4.7002 11.5551 11.5551 11.6553 11.6553 12.3998 12.3998 12.4282 12.4282 13.2565 13.2565 k =-0.5000 0.3097 0.4401 ( 4356 PWs) bands (ev): -13.1805 -13.1805 -13.1285 -13.1285 -10.9862 -10.9862 -10.3083 -10.3083 -9.0451 -9.0451 -9.0130 -9.0130 -2.8750 -2.8750 -2.8545 -2.8545 -2.0829 -2.0829 -1.5660 -1.5660 0.1133 0.1133 0.7832 0.7832 0.8162 0.8162 1.0596 1.0596 1.5273 1.5273 1.6912 1.6912 2.5048 2.5048 2.5520 2.5520 3.0710 3.0710 3.2693 3.2693 3.8774 3.8774 4.1698 4.1698 4.6909 4.6909 4.7055 4.7055 11.5885 11.5885 11.7117 11.7117 12.3771 12.3771 12.4162 12.4162 13.2166 13.2166 k =-0.5000 0.3097 0.4238 ( 4360 PWs) bands (ev): -13.1851 -13.1851 -13.1247 -13.1247 -11.0346 -11.0346 -10.2462 -10.2462 -9.0489 -9.0489 -9.0116 -9.0116 -2.8571 -2.8571 -2.8334 -2.8334 -2.1440 -2.1440 -1.5383 -1.5383 0.0360 0.0360 0.7644 0.7644 0.8054 0.8054 1.0758 1.0758 1.5887 1.5887 1.7246 1.7246 2.4836 2.4836 2.5420 2.5420 3.0443 3.0443 3.2754 3.2754 3.8583 3.8583 4.1954 4.1954 4.6959 4.6959 4.7114 4.7114 11.6280 11.6280 11.7761 11.7761 12.3514 12.3514 12.4032 12.4032 13.1786 13.1786 k =-0.5000 0.3097 0.4075 ( 4364 PWs) bands (ev): -13.1896 -13.1896 -13.1210 -13.1210 -11.0816 -11.0816 -10.1837 -10.1837 -9.0528 -9.0528 -9.0104 -9.0104 -2.8363 -2.8363 -2.8096 -2.8096 -2.2079 -2.2079 -1.5125 -1.5125 -0.0375 -0.0375 0.7425 0.7425 0.7923 0.7923 1.0776 1.0776 1.6648 1.6648 1.7583 1.7583 2.4597 2.4597 2.5309 2.5309 3.0173 3.0173 3.2809 3.2809 3.8400 3.8400 4.2202 4.2202 4.7020 4.7020 4.7177 4.7177 11.6731 11.6731 11.8482 11.8482 12.3232 12.3232 12.3897 12.3897 13.1429 13.1429 k =-0.5000 0.3097 0.3912 ( 4364 PWs) bands (ev): -13.1941 -13.1941 -13.1175 -13.1175 -11.1270 -11.1270 -10.1209 -10.1209 -9.0568 -9.0568 -9.0095 -9.0095 -2.8127 -2.8127 -2.7832 -2.7832 -2.2742 -2.2742 -1.4884 -1.4884 -0.1070 -0.1070 0.7174 0.7174 0.7770 0.7770 1.0702 1.0702 1.7497 1.7497 1.7923 1.7923 2.4335 2.4335 2.5191 2.5191 2.9907 2.9907 3.2857 3.2857 3.8224 3.8224 4.2440 4.2440 4.7093 4.7093 4.7243 4.7243 11.7228 11.7228 11.9277 11.9277 12.2931 12.2931 12.3759 12.3759 13.1103 13.1103 k =-0.5000 0.3097 0.3749 ( 4358 PWs) bands (ev): -13.1985 -13.1985 -13.1140 -13.1140 -11.1709 -11.1709 -10.0581 -10.0581 -9.0608 -9.0608 -9.0087 -9.0087 -2.7863 -2.7863 -2.7542 -2.7542 -2.3428 -2.3428 -1.4659 -1.4659 -0.1725 -0.1725 0.6888 0.6888 0.7594 0.7594 1.0573 1.0573 1.8234 1.8234 1.8426 1.8426 2.4050 2.4050 2.5070 2.5070 2.9647 2.9647 3.2901 3.2901 3.8054 3.8054 4.2667 4.2667 4.7178 4.7178 4.7314 4.7314 11.7761 11.7761 12.0142 12.0142 12.2615 12.2615 12.3624 12.3624 13.0815 13.0815 k =-0.5000 0.3097 0.3586 ( 4354 PWs) bands (ev): -13.2029 -13.2029 -13.1107 -13.1107 -11.2131 -11.2131 -9.9952 -9.9952 -9.0649 -9.0649 -9.0080 -9.0080 -2.7573 -2.7573 -2.7227 -2.7227 -2.4134 -2.4134 -1.4450 -1.4450 -0.2338 -0.2338 0.6568 0.6568 0.7393 0.7393 1.0412 1.0412 1.8580 1.8580 1.9340 1.9340 2.3747 2.3747 2.4950 2.4950 2.9396 2.9396 3.2941 3.2941 3.7888 3.7888 4.2882 4.2882 4.7275 4.7275 4.7386 4.7386 11.8318 11.8318 12.1072 12.1072 12.2290 12.2290 12.3493 12.3493 13.0574 13.0574 k =-0.5000 0.3097 0.3423 ( 4362 PWs) bands (ev): -13.2072 -13.2072 -13.1075 -13.1075 -11.2536 -11.2536 -9.9326 -9.9326 -9.0691 -9.0691 -9.0076 -9.0076 -2.7257 -2.7257 -2.6889 -2.6889 -2.4857 -2.4857 -1.4254 -1.4254 -0.2911 -0.2911 0.6214 0.6214 0.7166 0.7166 1.0234 1.0234 1.8912 1.8912 2.0271 2.0271 2.3430 2.3430 2.4833 2.4833 2.9157 2.9157 3.2979 3.2979 3.7727 3.7727 4.3084 4.3084 4.7384 4.7384 4.7461 4.7461 11.8885 11.8885 12.1955 12.1955 12.2066 12.2066 12.3370 12.3370 13.0391 13.0391 k =-0.5000 0.3097 0.3260 ( 4360 PWs) bands (ev): -13.2114 -13.2114 -13.1045 -13.1045 -11.2925 -11.2925 -9.8704 -9.8704 -9.0732 -9.0732 -9.0073 -9.0073 -2.6917 -2.6917 -2.6530 -2.6530 -2.5591 -2.5591 -1.4073 -1.4073 -0.3445 -0.3445 0.5824 0.5824 0.6913 0.6913 1.0048 1.0048 1.9237 1.9237 2.1197 2.1197 2.3104 2.3104 2.4724 2.4724 2.8932 2.8932 3.3013 3.3013 3.7569 3.7569 4.3272 4.3272 4.7504 4.7504 4.7539 4.7539 11.9447 11.9447 12.1627 12.1627 12.3105 12.3105 12.3260 12.3260 13.0277 13.0277 k =-0.5000 0.3097 0.3097 ( 4350 PWs) bands (ev): -13.2155 -13.2155 -13.1016 -13.1016 -11.3296 -11.3296 -9.8088 -9.8088 -9.0773 -9.0773 -9.0071 -9.0071 -2.6554 -2.6554 -2.6334 -2.6334 -2.6150 -2.6150 -1.3904 -1.3904 -0.3939 -0.3939 0.5401 0.5401 0.6632 0.6632 0.9859 0.9859 1.9555 1.9555 2.2106 2.2106 2.2774 2.2774 2.4623 2.4623 2.8720 2.8720 3.3046 3.3046 3.7416 3.7416 4.3447 4.3447 4.7612 4.7612 4.7642 4.7642 11.9986 11.9986 12.1298 12.1298 12.3155 12.3155 12.4204 12.4204 13.0243 13.0243 k =-0.5000 0.3097 0.2934 ( 4340 PWs) bands (ev): -13.2194 -13.2194 -13.0989 -13.0989 -11.3650 -11.3650 -9.7479 -9.7479 -9.0814 -9.0814 -9.0070 -9.0070 -2.7081 -2.7081 -2.6169 -2.6169 -2.5752 -2.5752 -1.3748 -1.3748 -0.4397 -0.4397 0.4947 0.4947 0.6325 0.6325 0.9671 0.9671 1.9866 1.9866 2.2443 2.2443 2.2993 2.2993 2.4534 2.4534 2.8523 2.8523 3.3076 3.3076 3.7265 3.7265 4.3608 4.3608 4.7691 4.7691 4.7786 4.7786 12.0484 12.0484 12.0975 12.0975 12.3069 12.3069 12.5341 12.5341 13.0301 13.0301 k =-0.5000 0.3097 0.2771 ( 4336 PWs) bands (ev): -13.2233 -13.2233 -13.0963 -13.0963 -11.3986 -11.3986 -9.6881 -9.6881 -9.0855 -9.0855 -9.0071 -9.0071 -2.7826 -2.7826 -2.5765 -2.5765 -2.5338 -2.5338 -1.3603 -1.3603 -0.4818 -0.4818 0.4462 0.4462 0.5990 0.5990 0.9488 0.9488 2.0168 2.0168 2.2121 2.2121 2.3850 2.3850 2.4458 2.4458 2.8339 2.8339 3.3103 3.3103 3.7119 3.7119 4.3754 4.3754 4.7768 4.7768 4.7942 4.7942 12.0650 12.0650 12.0938 12.0938 12.2999 12.2999 12.6513 12.6513 13.0461 13.0461 k =-0.5000 0.3097 0.2608 ( 4336 PWs) bands (ev): -13.2270 -13.2270 -13.0939 -13.0939 -11.4304 -11.4304 -9.6294 -9.6294 -9.0894 -9.0894 -9.0072 -9.0072 -2.8566 -2.8566 -2.5343 -2.5343 -2.4909 -2.4909 -1.3469 -1.3469 -0.5206 -0.5206 0.3951 0.3951 0.5630 0.5630 0.9310 0.9310 2.0461 2.0461 2.1808 2.1808 2.4396 2.4396 2.4673 2.4673 2.8169 2.8169 3.3129 3.3129 3.6976 3.6976 4.3887 4.3887 4.7845 4.7845 4.8108 4.8108 12.0348 12.0348 12.1313 12.1313 12.2946 12.2946 12.7711 12.7711 13.0728 13.0728 k =-0.5000 0.3097 0.2445 ( 4338 PWs) bands (ev): -13.2305 -13.2305 -13.0916 -13.0916 -11.4604 -11.4604 -9.5723 -9.5723 -9.0932 -9.0932 -9.0074 -9.0074 -2.9294 -2.9294 -2.4907 -2.4907 -2.4470 -2.4470 -1.3346 -1.3346 -0.5562 -0.5562 0.3416 0.3416 0.5246 0.5246 0.9139 0.9139 2.0742 2.0742 2.1510 2.1510 2.4347 2.4347 2.5457 2.5457 2.8012 2.8012 3.3151 3.3151 3.6839 3.6839 4.4007 4.4007 4.7919 4.7919 4.8284 4.8284 12.0054 12.0054 12.1618 12.1618 12.2914 12.2914 12.8924 12.8924 13.1100 13.1100 k =-0.5000 0.3097 0.2282 ( 4330 PWs) bands (ev): -13.2339 -13.2339 -13.0894 -13.0894 -11.4885 -11.4885 -9.5170 -9.5170 -9.0969 -9.0969 -9.0077 -9.0077 -3.0006 -3.0006 -2.4457 -2.4457 -2.4022 -2.4022 -1.3232 -1.3232 -0.5886 -0.5886 0.2863 0.2863 0.4841 0.4841 0.8977 0.8977 2.1011 2.1011 2.1230 2.1230 2.4311 2.4311 2.6199 2.6199 2.7867 2.7867 3.3172 3.3172 3.6706 3.6706 4.4113 4.4113 4.7992 4.7992 4.8466 4.8466 11.9773 11.9773 12.1853 12.1853 12.2901 12.2901 13.0139 13.0139 13.1567 13.1567 k =-0.5000 0.3097 0.2119 ( 4334 PWs) bands (ev): -13.2371 -13.2371 -13.0874 -13.0874 -11.5148 -11.5148 -9.4636 -9.4636 -9.1004 -9.1004 -9.0080 -9.0080 -3.0697 -3.0697 -2.3998 -2.3998 -2.3569 -2.3569 -1.3129 -1.3129 -0.6182 -0.6182 0.2295 0.2295 0.4418 0.4418 0.8824 0.8824 2.0967 2.0967 2.1269 2.1269 2.4288 2.4288 2.6897 2.6897 2.7733 2.7733 3.3189 3.3189 3.6578 3.6578 4.4208 4.4208 4.8063 4.8063 4.8655 4.8655 11.9508 11.9508 12.2024 12.2024 12.2911 12.2911 13.1334 13.1334 13.2113 13.2113 k =-0.5000 0.3097 0.1956 ( 4326 PWs) bands (ev): -13.2401 -13.2401 -13.0856 -13.0856 -11.5391 -11.5391 -9.4125 -9.4125 -9.1038 -9.1038 -9.0084 -9.0084 -3.1362 -3.1362 -2.3533 -2.3533 -2.3114 -2.3114 -1.3034 -1.3034 -0.6450 -0.6450 0.1720 0.1720 0.3982 0.3982 0.8681 0.8681 2.0729 2.0729 2.1510 2.1510 2.4276 2.4276 2.7544 2.7544 2.7614 2.7614 3.3205 3.3205 3.6457 3.6457 4.4291 4.4291 4.8130 4.8130 4.8847 4.8847 11.9258 11.9258 12.2141 12.2141 12.2943 12.2943 13.2484 13.2484 13.2720 13.2720 k =-0.5000 0.3097 0.1793 ( 4318 PWs) bands (ev): -13.2429 -13.2429 -13.0839 -13.0839 -11.5616 -11.5616 -9.3641 -9.3641 -9.1070 -9.1070 -9.0088 -9.0088 -3.1995 -3.1995 -2.3066 -2.3066 -2.2662 -2.2662 -1.2949 -1.2949 -0.6691 -0.6691 0.1142 0.1142 0.3538 0.3538 0.8548 0.8548 2.0512 2.0512 2.1737 2.1737 2.4274 2.4274 2.7499 2.7499 2.8148 2.8148 3.3217 3.3217 3.6343 3.6343 4.4363 4.4363 4.8194 4.8194 4.9040 4.9040 11.9026 11.9026 12.2215 12.2215 12.2998 12.2998 13.3362 13.3362 13.3552 13.3552 k =-0.5000 0.3097 0.1630 ( 4326 PWs) bands (ev): -13.2455 -13.2455 -13.0824 -13.0824 -11.5822 -11.5822 -9.3185 -9.3185 -9.1099 -9.1099 -9.0092 -9.0092 -3.2593 -3.2593 -2.2601 -2.2601 -2.2218 -2.2218 -1.2872 -1.2872 -0.6908 -0.6908 0.0568 0.0568 0.3092 0.3092 0.8425 0.8425 2.0317 2.0317 2.1948 2.1948 2.4281 2.4281 2.7398 2.7398 2.8698 2.8698 3.3227 3.3227 3.6236 3.6236 4.4425 4.4425 4.8254 4.8254 4.9231 4.9231 11.8812 11.8812 12.2259 12.2259 12.3077 12.3077 13.3418 13.3418 13.4023 13.4023 k =-0.5000 0.3097 0.1467 ( 4322 PWs) bands (ev): -13.2479 -13.2479 -13.0810 -13.0810 -11.6008 -11.6008 -9.2761 -9.2761 -9.1127 -9.1127 -9.0096 -9.0096 -3.3150 -3.3150 -2.2145 -2.2145 -2.1786 -2.1786 -1.2803 -1.2803 -0.7100 -0.7100 0.0006 0.0006 0.2652 0.2652 0.8313 0.8313 2.0145 2.0145 2.2141 2.2141 2.4294 2.4294 2.7307 2.7307 2.9196 2.9196 3.3235 3.3235 3.6137 3.6137 4.4478 4.4478 4.8309 4.8309 4.9418 4.9418 11.8617 11.8617 12.2279 12.2279 12.3177 12.3177 13.2784 13.2784 13.4053 13.4053 k =-0.5000 0.3097 0.1304 ( 4322 PWs) bands (ev): -13.2500 -13.2500 -13.0797 -13.0797 -11.6176 -11.6176 -9.2371 -9.2371 -9.1152 -9.1152 -9.0100 -9.0100 -3.3662 -3.3662 -2.1703 -2.1703 -2.1372 -2.1372 -1.2742 -1.2742 -0.7270 -0.7270 -0.0536 -0.0536 0.2224 0.2224 0.8213 0.8213 1.9995 1.9995 2.2317 2.2317 2.4312 2.4312 2.7226 2.7226 2.9642 2.9642 3.3242 3.3242 3.6046 3.6046 4.4523 4.4523 4.8360 4.8360 4.9596 4.9596 11.8440 11.8440 12.2284 12.2284 12.3300 12.3300 13.2165 13.2165 13.3913 13.3913 k =-0.5000 0.3097 0.1141 ( 4334 PWs) bands (ev): -13.2519 -13.2519 -13.0787 -13.0787 -11.6323 -11.6323 -9.2020 -9.2020 -9.1174 -9.1174 -9.0104 -9.0104 -3.4125 -3.4125 -2.1282 -2.1282 -2.0983 -2.0983 -1.2689 -1.2689 -0.7418 -0.7418 -0.1049 -0.1049 0.1818 0.1818 0.8124 0.8124 1.9865 1.9865 2.2474 2.2474 2.4333 2.4333 2.7155 2.7155 3.0034 3.0034 3.3246 3.3246 3.5965 3.5965 4.4560 4.4560 4.8406 4.8406 4.9764 4.9764 11.8284 11.8284 12.2280 12.2280 12.3441 12.3441 13.1569 13.1569 13.3778 13.3778 k =-0.5000 0.3097 0.0978 ( 4322 PWs) bands (ev): -13.2536 -13.2536 -13.0777 -13.0777 -11.6452 -11.6452 -9.1709 -9.1709 -9.1193 -9.1193 -9.0107 -9.0107 -3.4535 -3.4535 -2.0890 -2.0890 -2.0626 -2.0626 -1.2643 -1.2643 -0.7545 -0.7545 -0.1525 -0.1525 0.1441 0.1441 0.8047 0.8047 1.9755 1.9755 2.2611 2.2611 2.4355 2.4355 2.7093 2.7093 3.0374 3.0374 3.3249 3.3249 3.5894 3.5894 4.4591 4.4591 4.8446 4.8446 4.9917 4.9917 11.8148 11.8148 12.2271 12.2271 12.3597 12.3597 13.1007 13.1007 13.3653 13.3653 k =-0.5000 0.3097 0.0815 ( 4330 PWs) bands (ev): -13.2550 -13.2550 -13.0769 -13.0769 -11.6560 -11.6560 -9.1441 -9.1441 -9.1210 -9.1210 -9.0110 -9.0110 -3.4888 -3.4888 -2.0537 -2.0537 -2.0307 -2.0307 -1.2605 -1.2605 -0.7651 -0.7651 -0.1951 -0.1951 0.1102 0.1102 0.7981 0.7981 1.9664 1.9664 2.2728 2.2728 2.4377 2.4377 2.7041 2.7041 3.0660 3.0660 3.3250 3.3250 3.5833 3.5833 4.4616 4.4616 4.8481 4.8481 5.0053 5.0053 11.8032 11.8032 12.2259 12.2259 12.3764 12.3764 13.0490 13.0490 13.3541 13.3541 k =-0.5000 0.3097 0.0652 ( 4344 PWs) bands (ev): -13.2562 -13.2562 -13.0763 -13.0763 -11.6649 -11.6649 -9.1232 -9.1232 -9.1210 -9.1210 -9.0113 -9.0113 -3.5182 -3.5182 -2.0230 -2.0230 -2.0034 -2.0034 -1.2574 -1.2574 -0.7737 -0.7737 -0.2320 -0.2320 0.0811 0.0811 0.7927 0.7927 1.9592 1.9592 2.2825 2.2825 2.4397 2.4397 2.6998 2.6998 3.0894 3.0894 3.3251 3.3251 3.5782 3.5782 4.4635 4.4635 4.8509 4.8509 5.0168 5.0168 11.7938 11.7938 12.2247 12.2247 12.3931 12.3931 13.0029 13.0029 13.3445 13.3445 k =-0.5000 0.3097 0.0489 ( 4336 PWs) bands (ev): -13.2571 -13.2571 -13.0758 -13.0758 -11.6718 -11.6718 -9.1236 -9.1236 -9.1042 -9.1042 -9.0115 -9.0115 -3.5413 -3.5413 -1.9979 -1.9979 -1.9813 -1.9813 -1.2550 -1.2550 -0.7804 -0.7804 -0.2619 -0.2619 0.0574 0.0574 0.7885 0.7885 1.9536 1.9536 2.2901 2.2901 2.4414 2.4414 2.6965 2.6965 3.1076 3.1076 3.3252 3.3252 3.5742 3.5742 4.4649 4.4649 4.8532 4.8532 5.0261 5.0261 11.7864 11.7864 12.2236 12.2236 12.4088 12.4088 12.9641 12.9641 13.3368 13.3368 k =-0.5000 0.3097 0.0326 ( 4332 PWs) bands (ev): -13.2578 -13.2578 -13.0754 -13.0754 -11.6768 -11.6768 -9.1243 -9.1243 -9.0915 -9.0915 -9.0116 -9.0116 -3.5580 -3.5580 -1.9793 -1.9793 -1.9650 -1.9650 -1.2533 -1.2533 -0.7851 -0.7851 -0.2841 -0.2841 0.0400 0.0400 0.7855 0.7855 1.9497 1.9497 2.2955 2.2955 2.4427 2.4427 2.6942 2.6942 3.1205 3.1205 3.3252 3.3252 3.5713 3.5713 4.4659 4.4659 4.8548 4.8548 5.0328 5.0328 11.7811 11.7811 12.2228 12.2228 12.4219 12.4219 12.9342 12.9342 13.3312 13.3312 k =-0.5000 0.3097 0.0163 ( 4324 PWs) bands (ev): -13.2582 -13.2582 -13.0752 -13.0752 -11.6798 -11.6798 -9.1248 -9.1248 -9.0839 -9.0839 -9.0117 -9.0117 -3.5681 -3.5681 -1.9678 -1.9678 -1.9550 -1.9550 -1.2523 -1.2523 -0.7879 -0.7879 -0.2978 -0.2978 0.0293 0.0293 0.7837 0.7837 1.9473 1.9473 2.2988 2.2988 2.4435 2.4435 2.6928 2.6928 3.1283 3.1283 3.3252 3.3252 3.5696 3.5696 4.4665 4.4665 4.8557 4.8557 5.0370 5.0370 11.7779 11.7779 12.2223 12.2223 12.4307 12.4307 12.9153 12.9153 13.3278 13.3278 k =-0.5000 0.3097 0.0000 ( 4318 PWs) bands (ev): -13.2583 -13.2583 -13.0751 -13.0751 -11.6807 -11.6807 -9.1250 -9.1250 -9.0813 -9.0813 -9.0117 -9.0117 -3.5714 -3.5714 -1.9639 -1.9639 -1.9517 -1.9517 -1.2519 -1.2519 -0.7888 -0.7888 -0.3024 -0.3024 0.0257 0.0257 0.7831 0.7831 1.9466 1.9466 2.2999 2.2999 2.4438 2.4438 2.6923 2.6923 3.1308 3.1308 3.3252 3.3252 3.5691 3.5691 4.4667 4.4667 4.8561 4.8561 5.0383 5.0383 11.7768 11.7768 12.2221 12.2221 12.4339 12.4339 12.9088 12.9088 13.3266 13.3266 k = 0.0000 0.0000 0.5379 ( 4372 PWs) bands (ev): -13.3209 -13.3209 -13.3209 -13.3209 -10.2195 -10.2195 -10.2195 -10.2195 -9.0306 -9.0306 -9.0306 -9.0306 -4.1331 -4.1331 -4.1331 -4.1331 -0.5972 -0.5972 -0.5972 -0.5972 -0.1399 -0.1399 -0.1399 -0.1399 0.7072 0.7072 0.7072 0.7072 1.8520 1.8520 1.8520 1.8520 2.6815 2.6815 2.6815 2.6815 3.5398 3.5398 3.5398 3.5398 3.9241 3.9241 3.9241 3.9241 5.2402 5.2402 5.2402 5.2402 11.2489 11.2489 11.2489 11.2489 12.0601 12.0601 12.0601 12.0601 12.7418 12.7418 k =-0.0139 0.0086 0.5379 ( 4364 PWs) bands (ev): -13.3206 -13.3206 -13.3206 -13.3206 -10.2204 -10.2204 -10.2204 -10.2204 -9.0306 -9.0306 -9.0305 -9.0305 -4.1316 -4.1316 -4.1313 -4.1313 -0.6002 -0.6002 -0.5998 -0.5998 -0.1378 -0.1378 -0.1373 -0.1373 0.7082 0.7082 0.7084 0.7084 1.8499 1.8499 1.8501 1.8501 2.6827 2.6827 2.6828 2.6828 3.5392 3.5392 3.5395 3.5395 3.9226 3.9226 3.9227 3.9227 5.2399 5.2399 5.2400 5.2400 11.2486 11.2486 11.2488 11.2488 12.0618 12.0618 12.0625 12.0625 12.7422 12.7422 k =-0.0278 0.0172 0.5379 ( 4364 PWs) bands (ev): -13.3198 -13.3198 -13.3197 -13.3197 -10.2232 -10.2232 -10.2230 -10.2230 -9.0305 -9.0305 -9.0302 -9.0302 -4.1268 -4.1268 -4.1263 -4.1263 -0.6085 -0.6085 -0.6078 -0.6078 -0.1314 -0.1314 -0.1304 -0.1304 0.7114 0.7114 0.7117 0.7117 1.8441 1.8441 1.8445 1.8445 2.6865 2.6865 2.6867 2.6867 3.5378 3.5378 3.5383 3.5383 3.9181 3.9181 3.9184 3.9184 5.2391 5.2391 5.2393 5.2393 11.2481 11.2481 11.2486 11.2486 12.0678 12.0678 12.0691 12.0691 12.7433 12.7433 k =-0.0417 0.0258 0.5379 ( 4350 PWs) bands (ev): -13.3183 -13.3183 -13.3183 -13.3183 -10.2277 -10.2277 -10.2275 -10.2275 -9.0302 -9.0302 -9.0298 -9.0298 -4.1187 -4.1187 -4.1180 -4.1180 -0.6218 -0.6218 -0.6207 -0.6207 -0.1208 -0.1208 -0.1194 -0.1194 0.7167 0.7167 0.7171 0.7171 1.8345 1.8345 1.8351 1.8351 2.6925 2.6925 2.6929 2.6929 3.5355 3.5355 3.5363 3.5363 3.9110 3.9110 3.9114 3.9114 5.2377 5.2377 5.2380 5.2380 11.2475 11.2475 11.2482 11.2482 12.0778 12.0778 12.0798 12.0798 12.7453 12.7453 k =-0.0556 0.0344 0.5379 ( 4342 PWs) bands (ev): -13.3164 -13.3164 -13.3163 -13.3163 -10.2339 -10.2339 -10.2337 -10.2337 -9.0298 -9.0298 -9.0293 -9.0293 -4.1075 -4.1075 -4.1065 -4.1065 -0.6394 -0.6394 -0.6381 -0.6381 -0.1067 -0.1067 -0.1049 -0.1049 0.7240 0.7240 0.7246 0.7246 1.8214 1.8214 1.8222 1.8222 2.7007 2.7007 2.7011 2.7011 3.5324 3.5324 3.5334 3.5334 3.9013 3.9013 3.9019 3.9019 5.2357 5.2357 5.2360 5.2360 11.2470 11.2470 11.2478 11.2478 12.0915 12.0915 12.0941 12.0941 12.7480 12.7480 k =-0.0694 0.0430 0.5379 ( 4342 PWs) bands (ev): -13.3138 -13.3138 -13.3137 -13.3137 -10.2418 -10.2418 -10.2415 -10.2415 -9.0294 -9.0294 -9.0287 -9.0287 -4.0930 -4.0930 -4.0918 -4.0918 -0.6609 -0.6609 -0.6594 -0.6594 -0.0896 -0.0896 -0.0875 -0.0875 0.7334 0.7334 0.7341 0.7341 1.8049 1.8049 1.8059 1.8059 2.7107 2.7107 2.7112 2.7112 3.5284 3.5284 3.5297 3.5297 3.8894 3.8894 3.8902 3.8902 5.2328 5.2328 5.2331 5.2331 11.2466 11.2466 11.2476 11.2476 12.1086 12.1086 12.1119 12.1119 12.7515 12.7515 k =-0.0833 0.0516 0.5379 ( 4342 PWs) bands (ev): -13.3108 -13.3108 -13.3106 -13.3106 -10.2513 -10.2513 -10.2510 -10.2510 -9.0288 -9.0288 -9.0280 -9.0280 -4.0754 -4.0754 -4.0740 -4.0740 -0.6857 -0.6857 -0.6841 -0.6841 -0.0700 -0.0700 -0.0677 -0.0677 0.7448 0.7448 0.7456 0.7456 1.7854 1.7854 1.7865 1.7865 2.7222 2.7222 2.7228 2.7228 3.5235 3.5235 3.5251 3.5251 3.8758 3.8758 3.8766 3.8766 5.2289 5.2289 5.2293 5.2293 11.2467 11.2467 11.2479 11.2479 12.1287 12.1287 12.1326 12.1326 12.7559 12.7559 k =-0.0972 0.0602 0.5379 ( 4338 PWs) bands (ev): -13.3072 -13.3072 -13.3070 -13.3070 -10.2623 -10.2623 -10.2619 -10.2619 -9.0282 -9.0282 -9.0273 -9.0273 -4.0548 -4.0548 -4.0531 -4.0531 -0.7133 -0.7133 -0.7116 -0.7116 -0.0483 -0.0483 -0.0458 -0.0458 0.7580 0.7580 0.7589 0.7589 1.7630 1.7630 1.7643 1.7643 2.7346 2.7346 2.7353 2.7353 3.5177 3.5177 3.5197 3.5197 3.8608 3.8608 3.8618 3.8618 5.2239 5.2239 5.2243 5.2243 11.2475 11.2475 11.2488 11.2488 12.1513 12.1513 12.1559 12.1559 12.7611 12.7611 k =-0.1111 0.0688 0.5379 ( 4346 PWs) bands (ev): -13.3031 -13.3031 -13.3029 -13.3029 -10.2747 -10.2747 -10.2743 -10.2743 -9.0275 -9.0275 -9.0265 -9.0265 -4.0311 -4.0311 -4.0292 -4.0292 -0.7434 -0.7434 -0.7416 -0.7416 -0.0250 -0.0250 -0.0223 -0.0223 0.7731 0.7731 0.7741 0.7741 1.7380 1.7380 1.7395 1.7395 2.7477 2.7477 2.7485 2.7485 3.5111 3.5111 3.5134 3.5134 3.8450 3.8450 3.8460 3.8460 5.2176 5.2176 5.2180 5.2180 11.2490 11.2490 11.2504 11.2504 12.1760 12.1760 12.1812 12.1812 12.7672 12.7672 k =-0.1250 0.0774 0.5379 ( 4342 PWs) bands (ev): -13.2986 -13.2986 -13.2984 -13.2984 -10.2884 -10.2884 -10.2880 -10.2880 -9.0268 -9.0268 -9.0257 -9.0257 -4.0045 -4.0045 -4.0024 -4.0024 -0.7755 -0.7755 -0.7736 -0.7736 -0.0003 -0.0003 0.0025 0.0025 0.7899 0.7899 0.7910 0.7910 1.7108 1.7108 1.7124 1.7124 2.7608 2.7608 2.7618 2.7618 3.5036 3.5036 3.5062 3.5062 3.8288 3.8288 3.8300 3.8300 5.2098 5.2098 5.2102 5.2102 11.2516 11.2516 11.2531 11.2531 12.2022 12.2022 12.2080 12.2080 12.7743 12.7743 k =-0.1389 0.0860 0.5379 ( 4340 PWs) bands (ev): -13.2936 -13.2936 -13.2933 -13.2933 -10.3033 -10.3033 -10.3028 -10.3028 -9.0261 -9.0261 -9.0250 -9.0250 -3.9751 -3.9751 -3.9728 -3.9728 -0.8095 -0.8095 -0.8076 -0.8076 0.0256 0.0256 0.0284 0.0284 0.8083 0.8083 0.8095 0.8095 1.6815 1.6815 1.6833 1.6833 2.7737 2.7737 2.7748 2.7748 3.4953 3.4953 3.4981 3.4981 3.8130 3.8130 3.8142 3.8142 5.2005 5.2005 5.2009 5.2009 11.2553 11.2553 11.2568 11.2568 12.2295 12.2295 12.2358 12.2358 12.7826 12.7826 k =-0.1528 0.0946 0.5379 ( 4348 PWs) bands (ev): -13.2882 -13.2882 -13.2879 -13.2879 -10.3192 -10.3192 -10.3187 -10.3187 -9.0255 -9.0255 -9.0242 -9.0242 -3.9430 -3.9430 -3.9405 -3.9405 -0.8451 -0.8451 -0.8432 -0.8432 0.0523 0.0523 0.0552 0.0552 0.8283 0.8283 0.8295 0.8295 1.6503 1.6503 1.6523 1.6523 2.7858 2.7858 2.7870 2.7870 3.4861 3.4861 3.4892 3.4892 3.7979 3.7979 3.7993 3.7993 5.1894 5.1894 5.1898 5.1898 11.2601 11.2601 11.2617 11.2617 12.2571 12.2571 12.2640 12.2640 12.7924 12.7924 k =-0.1667 0.1032 0.5379 ( 4342 PWs) bands (ev): -13.2824 -13.2824 -13.2821 -13.2821 -10.3360 -10.3360 -10.3355 -10.3355 -9.0248 -9.0248 -9.0236 -9.0236 -3.9083 -3.9083 -3.9056 -3.9056 -0.8822 -0.8822 -0.8803 -0.8803 0.0798 0.0798 0.0827 0.0827 0.8497 0.8497 0.8510 0.8510 1.6176 1.6176 1.6197 1.6197 2.7967 2.7967 2.7980 2.7980 3.4760 3.4760 3.4795 3.4795 3.7842 3.7842 3.7856 3.7856 5.1766 5.1766 5.1770 5.1770 11.2662 11.2662 11.2679 11.2679 12.2845 12.2845 12.2920 12.2920 12.8038 12.8038 k =-0.1806 0.1118 0.5379 ( 4346 PWs) bands (ev): -13.2763 -13.2763 -13.2760 -13.2760 -10.3536 -10.3536 -10.3531 -10.3531 -9.0243 -9.0243 -9.0229 -9.0229 -3.8711 -3.8711 -3.8683 -3.8683 -0.9206 -0.9206 -0.9187 -0.9187 0.1078 0.1078 0.1108 0.1108 0.8725 0.8725 0.8739 0.8739 1.5836 1.5836 1.5858 1.5858 2.8060 2.8060 2.8074 2.8074 3.4651 3.4651 3.4688 3.4688 3.7724 3.7724 3.7739 3.7739 5.1620 5.1620 5.1624 5.1624 11.2735 11.2735 11.2752 11.2752 12.3111 12.3111 12.3192 12.3192 12.8173 12.8173 k =-0.1944 0.1204 0.5379 ( 4344 PWs) bands (ev): -13.2698 -13.2698 -13.2695 -13.2695 -10.3719 -10.3719 -10.3713 -10.3713 -9.0237 -9.0237 -9.0224 -9.0224 -3.8315 -3.8315 -3.8286 -3.8286 -0.9602 -0.9602 -0.9583 -0.9583 0.1363 0.1363 0.1393 0.1393 0.8966 0.8966 0.8980 0.8980 1.5484 1.5484 1.5509 1.5509 2.8132 2.8132 2.8148 2.8148 3.4533 3.4533 3.4573 3.4573 3.7630 3.7630 3.7645 3.7645 5.1456 5.1456 5.1461 5.1461 11.2820 11.2820 11.2837 11.2837 12.3363 12.3363 12.3449 12.3449 12.8332 12.8332 k =-0.2083 0.1290 0.5379 ( 4344 PWs) bands (ev): -13.2631 -13.2631 -13.2628 -13.2628 -10.3906 -10.3906 -10.3901 -10.3901 -9.0233 -9.0233 -9.0220 -9.0220 -3.7898 -3.7898 -3.7868 -3.7868 -1.0009 -1.0009 -0.9990 -0.9990 0.1650 0.1650 0.1681 0.1681 0.9218 0.9218 0.9233 0.9233 1.5125 1.5125 1.5151 1.5151 2.8181 2.8181 2.8198 2.8198 3.4408 3.4408 3.4450 3.4450 3.7564 3.7564 3.7578 3.7578 5.1275 5.1275 5.1280 5.1280 11.2916 11.2916 11.2933 11.2933 12.3596 12.3596 12.3687 12.3687 12.8520 12.8520 k =-0.2222 0.1376 0.5379 ( 4340 PWs) bands (ev): -13.2562 -13.2562 -13.2558 -13.2558 -10.4097 -10.4097 -10.4092 -10.4092 -9.0230 -9.0230 -9.0216 -9.0216 -3.7461 -3.7461 -3.7430 -3.7430 -1.0426 -1.0426 -1.0407 -1.0407 0.1939 0.1939 0.1970 0.1970 0.9479 0.9479 0.9495 0.9495 1.4761 1.4761 1.4788 1.4788 2.8204 2.8204 2.8223 2.8223 3.4276 3.4276 3.4320 3.4320 3.7528 3.7528 3.7542 3.7542 5.1076 5.1076 5.1082 5.1082 11.3022 11.3022 11.3039 11.3039 12.3805 12.3805 12.3899 12.3899 12.8738 12.8738 k =-0.2361 0.1462 0.5379 ( 4328 PWs) bands (ev): -13.2491 -13.2491 -13.2487 -13.2487 -10.4290 -10.4290 -10.4285 -10.4285 -9.0227 -9.0227 -9.0214 -9.0214 -3.7005 -3.7005 -3.6973 -3.6973 -1.0853 -1.0853 -1.0834 -1.0834 0.2228 0.2228 0.2259 0.2259 0.9748 0.9748 0.9765 0.9765 1.4395 1.4395 1.4424 1.4424 2.8200 2.8200 2.8219 2.8219 3.4137 3.4137 3.4182 3.4182 3.7525 3.7525 3.7538 3.7538 5.0862 5.0862 5.0869 5.0869 11.3137 11.3137 11.3154 11.3154 12.3986 12.3986 12.4084 12.4084 12.8990 12.8990 k =-0.2500 0.1548 0.5379 ( 4324 PWs) bands (ev): -13.2419 -13.2419 -13.2415 -13.2415 -10.4484 -10.4484 -10.4478 -10.4478 -9.0225 -9.0225 -9.0212 -9.0212 -3.6532 -3.6532 -3.6499 -3.6499 -1.1287 -1.1287 -1.1268 -1.1268 0.2516 0.2516 0.2547 0.2547 1.0021 1.0021 1.0039 1.0039 1.4032 1.4032 1.4063 1.4063 2.8167 2.8167 2.8187 2.8187 3.3993 3.3993 3.4039 3.4039 3.7555 3.7555 3.7567 3.7567 5.0633 5.0633 5.0641 5.0641 11.3259 11.3259 11.3276 11.3276 12.4139 12.4139 12.4238 12.4238 12.9276 12.9276 k =-0.2639 0.1634 0.5379 ( 4332 PWs) bands (ev): -13.2346 -13.2346 -13.2342 -13.2342 -10.4677 -10.4677 -10.4671 -10.4671 -9.0224 -9.0224 -9.0211 -9.0211 -3.6045 -3.6045 -3.6012 -3.6012 -1.1729 -1.1729 -1.1710 -1.1710 0.2802 0.2802 0.2832 0.2832 1.0292 1.0292 1.0312 1.0312 1.3679 1.3679 1.3712 1.3712 2.8106 2.8106 2.8127 2.8127 3.3845 3.3845 3.3890 3.3890 3.7617 3.7617 3.7629 3.7629 5.0392 5.0392 5.0401 5.0401 11.3387 11.3387 11.3404 11.3404 12.4264 12.4264 12.4363 12.4363 12.9593 12.9593 k =-0.2778 0.1720 0.5379 ( 4328 PWs) bands (ev): -13.2273 -13.2273 -13.2269 -13.2269 -10.4868 -10.4868 -10.4862 -10.4862 -9.0224 -9.0224 -9.0212 -9.0212 -3.5546 -3.5546 -3.5512 -3.5512 -1.2177 -1.2177 -1.2158 -1.2158 0.3084 0.3084 0.3115 0.3115 1.0551 1.0551 1.0574 1.0574 1.3345 1.3345 1.3381 1.3381 2.8019 2.8019 2.8040 2.8040 3.3693 3.3693 3.3738 3.3738 3.7709 3.7709 3.7720 3.7720 5.0139 5.0139 5.0149 5.0149 11.3519 11.3519 11.3537 11.3537 12.4362 12.4362 12.4461 12.4461 12.9939 12.9939 k =-0.2917 0.1806 0.5379 ( 4332 PWs) bands (ev): -13.2200 -13.2200 -13.2197 -13.2197 -10.5055 -10.5055 -10.5049 -10.5049 -9.0225 -9.0225 -9.0213 -9.0213 -3.5036 -3.5036 -3.5002 -3.5002 -1.2630 -1.2630 -1.2611 -1.2611 0.3362 0.3362 0.3392 0.3392 1.0782 1.0782 1.0808 1.0808 1.3050 1.3050 1.3089 1.3089 2.7907 2.7907 2.7928 2.7928 3.3539 3.3539 3.3584 3.3584 3.7828 3.7828 3.7840 3.7840 4.9876 4.9876 4.9888 4.9888 11.3655 11.3655 11.3673 11.3673 12.4436 12.4436 12.4534 12.4534 13.0310 13.0310 k =-0.3056 0.1892 0.5379 ( 4328 PWs) bands (ev): -13.2128 -13.2128 -13.2125 -13.2125 -10.5237 -10.5237 -10.5232 -10.5232 -9.0226 -9.0226 -9.0215 -9.0215 -3.4519 -3.4519 -3.4485 -3.4485 -1.3086 -1.3086 -1.3067 -1.3067 0.3635 0.3635 0.3665 0.3665 1.0950 1.0950 1.0980 1.0980 1.2828 1.2828 1.2869 1.2869 2.7773 2.7773 2.7794 2.7794 3.3385 3.3385 3.3428 3.3428 3.7972 3.7972 3.7984 3.7984 4.9607 4.9607 4.9620 4.9620 11.3791 11.3791 11.3809 11.3809 12.4490 12.4490 12.4586 12.4586 13.0700 13.0700 k =-0.3194 0.1978 0.5379 ( 4324 PWs) bands (ev): -13.2058 -13.2058 -13.2055 -13.2055 -10.5413 -10.5413 -10.5408 -10.5408 -9.0228 -9.0228 -9.0217 -9.0217 -3.3998 -3.3998 -3.3964 -3.3964 -1.3544 -1.3544 -1.3525 -1.3525 0.3902 0.3902 0.3932 0.3932 1.1009 1.1009 1.1039 1.1039 1.2728 1.2728 1.2767 1.2767 2.7620 2.7620 2.7640 2.7640 3.3232 3.3232 3.3274 3.3274 3.8136 3.8136 3.8148 3.8148 4.9334 4.9334 4.9347 4.9347 11.3927 11.3927 11.3945 11.3945 12.4528 12.4528 12.4620 12.4620 13.1103 13.1103 k =-0.3333 0.2064 0.5379 ( 4324 PWs) bands (ev): -13.1990 -13.1990 -13.1987 -13.1987 -10.5582 -10.5582 -10.5577 -10.5577 -9.0231 -9.0231 -9.0220 -9.0220 -3.3475 -3.3475 -3.3442 -3.3442 -1.4002 -1.4002 -1.3983 -1.3983 0.4163 0.4163 0.4193 0.4193 1.0929 1.0929 1.0957 1.0957 1.2780 1.2780 1.2814 1.2814 2.7451 2.7451 2.7471 2.7471 3.3082 3.3082 3.3121 3.3121 3.8317 3.8317 3.8329 3.8329 4.9058 4.9058 4.9072 4.9072 11.4061 11.4061 11.4079 11.4079 12.4552 12.4552 12.4641 12.4641 13.1513 13.1513 k =-0.3472 0.2151 0.5379 ( 4328 PWs) bands (ev): -13.1925 -13.1925 -13.1922 -13.1922 -10.5742 -10.5742 -10.5738 -10.5738 -9.0233 -9.0233 -9.0224 -9.0224 -3.2956 -3.2956 -3.2923 -3.2923 -1.4457 -1.4457 -1.4438 -1.4438 0.4416 0.4416 0.4446 0.4446 1.0737 1.0737 1.0763 1.0763 1.2952 1.2952 1.2979 1.2979 2.7270 2.7270 2.7289 2.7289 3.2936 3.2936 3.2973 3.2973 3.8510 3.8510 3.8523 3.8523 4.8783 4.8783 4.8798 4.8798 11.4191 11.4191 11.4208 11.4208 12.4566 12.4566 12.4651 12.4651 13.1924 13.1924 k =-0.3611 0.2237 0.5379 ( 4328 PWs) bands (ev): -13.1863 -13.1863 -13.1860 -13.1860 -10.5893 -10.5893 -10.5889 -10.5889 -9.0236 -9.0236 -9.0227 -9.0227 -3.2443 -3.2443 -3.2411 -3.2411 -1.4905 -1.4905 -1.4888 -1.4888 0.4663 0.4663 0.4692 0.4692 1.0484 1.0484 1.0509 1.0509 1.3191 1.3191 1.3213 1.3213 2.7081 2.7081 2.7099 2.7099 3.2796 3.2796 3.2830 3.2830 3.8711 3.8711 3.8724 3.8724 4.8511 4.8511 4.8527 4.8527 11.4316 11.4316 11.4333 11.4333 12.4573 12.4573 12.4653 12.4653 13.2328 13.2328 k =-0.3750 0.2323 0.5379 ( 4354 PWs) bands (ev): -13.1806 -13.1806 -13.1803 -13.1803 -10.6032 -10.6032 -10.6029 -10.6029 -9.0240 -9.0240 -9.0231 -9.0231 -3.1942 -3.1942 -3.1912 -3.1912 -1.5345 -1.5345 -1.5327 -1.5327 0.4902 0.4902 0.4931 0.4931 1.0205 1.0205 1.0229 1.0229 1.3460 1.3460 1.3478 1.3478 2.6887 2.6887 2.6904 2.6904 3.2664 3.2664 3.2695 3.2695 3.8915 3.8915 3.8928 3.8928 4.8246 4.8246 4.8262 4.8262 11.4434 11.4434 11.4450 11.4450 12.4575 12.4575 12.4649 12.4649 13.2720 13.2720 k =-0.3889 0.2409 0.5379 ( 4354 PWs) bands (ev): -13.1752 -13.1752 -13.1749 -13.1749 -10.6160 -10.6160 -10.6157 -10.6157 -9.0243 -9.0243 -9.0235 -9.0235 -3.1459 -3.1459 -3.1430 -3.1430 -1.5769 -1.5769 -1.5752 -1.5752 0.5133 0.5133 0.5161 0.5161 0.9919 0.9919 0.9943 0.9943 1.3737 1.3737 1.3753 1.3753 2.6693 2.6693 2.6709 2.6709 3.2541 3.2541 3.2569 3.2569 3.9119 3.9119 3.9132 3.9132 4.7992 4.7992 4.8007 4.8007 11.4544 11.4544 11.4560 11.4560 12.4574 12.4574 12.4642 12.4642 13.3091 13.3091 k =-0.4028 0.2495 0.5379 ( 4350 PWs) bands (ev): -13.1703 -13.1703 -13.1701 -13.1701 -10.6275 -10.6275 -10.6272 -10.6272 -9.0246 -9.0246 -9.0239 -9.0239 -3.1001 -3.1001 -3.0974 -3.0974 -1.6173 -1.6173 -1.6157 -1.6157 0.5355 0.5355 0.5382 0.5382 0.9636 0.9636 0.9660 0.9660 1.4010 1.4010 1.4023 1.4023 2.6505 2.6505 2.6518 2.6518 3.2428 3.2428 3.2454 3.2454 3.9316 3.9316 3.9329 3.9329 4.7752 4.7752 4.7766 4.7766 11.4645 11.4645 11.4659 11.4659 12.4571 12.4571 12.4633 12.4633 13.3435 13.3435 k =-0.4167 0.2581 0.5379 ( 4350 PWs) bands (ev): -13.1660 -13.1660 -13.1658 -13.1658 -10.6377 -10.6377 -10.6374 -10.6374 -9.0248 -9.0248 -9.0243 -9.0243 -3.0574 -3.0574 -3.0549 -3.0549 -1.6550 -1.6550 -1.6535 -1.6535 0.5567 0.5567 0.5593 0.5593 0.9365 0.9365 0.9389 0.9389 1.4267 1.4267 1.4279 1.4279 2.6325 2.6325 2.6337 2.6337 3.2328 3.2328 3.2350 3.2350 3.9503 3.9503 3.9515 3.9515 4.7529 4.7529 4.7543 4.7543 11.4735 11.4735 11.4748 11.4748 12.4568 12.4568 12.4622 12.4622 13.3745 13.3745 k =-0.4306 0.2667 0.5379 ( 4358 PWs) bands (ev): -13.1623 -13.1623 -13.1621 -13.1621 -10.6464 -10.6464 -10.6461 -10.6461 -9.0251 -9.0251 -9.0246 -9.0246 -3.0187 -3.0187 -3.0166 -3.0166 -1.6892 -1.6892 -1.6879 -1.6879 0.5767 0.5767 0.5792 0.5792 0.9111 0.9111 0.9134 0.9134 1.4502 1.4502 1.4512 1.4512 2.6161 2.6161 2.6171 2.6171 3.2242 3.2242 3.2260 3.2260 3.9674 3.9674 3.9685 3.9685 4.7330 4.7330 4.7342 4.7342 11.4814 11.4814 11.4825 11.4825 12.4566 12.4566 12.4612 12.4612 13.4014 13.4015 k =-0.4444 0.2753 0.5379 ( 4368 PWs) bands (ev): -13.1592 -13.1592 -13.1590 -13.1590 -10.6536 -10.6536 -10.6534 -10.6534 -9.0253 -9.0253 -9.0249 -9.0249 -2.9851 -2.9851 -2.9833 -2.9833 -1.7191 -1.7191 -1.7179 -1.7179 0.5951 0.5951 0.5974 0.5974 0.8881 0.8881 0.8901 0.8901 1.4706 1.4706 1.4714 1.4714 2.6017 2.6017 2.6025 2.6025 3.2170 3.2170 3.2185 3.2185 3.9825 3.9825 3.9834 3.9834 4.7158 4.7158 4.7168 4.7168 11.4880 11.4880 11.4889 11.4889 12.4564 12.4564 12.4602 12.4602 13.4237 13.4238 k =-0.4583 0.2839 0.5379 ( 4368 PWs) bands (ev): -13.1567 -13.1567 -13.1566 -13.1566 -10.6592 -10.6592 -10.6591 -10.6591 -9.0254 -9.0254 -9.0251 -9.0251 -2.9575 -2.9575 -2.9561 -2.9561 -1.7436 -1.7436 -1.7427 -1.7427 0.6115 0.6115 0.6134 0.6134 0.8682 0.8682 0.8699 0.8699 1.4872 1.4872 1.4879 1.4879 2.5898 2.5898 2.5905 2.5905 3.2113 3.2113 3.2124 3.2124 3.9949 3.9949 3.9956 3.9956 4.7018 4.7018 4.7027 4.7027 11.4932 11.4932 11.4939 11.4939 12.4564 12.4564 12.4592 12.4592 13.4410 13.4410 k =-0.4722 0.2925 0.5379 ( 4372 PWs) bands (ev): -13.1549 -13.1549 -13.1549 -13.1549 -10.6633 -10.6633 -10.6632 -10.6632 -9.0255 -9.0255 -9.0253 -9.0253 -2.9368 -2.9368 -2.9358 -2.9358 -1.7619 -1.7619 -1.7613 -1.7613 0.6247 0.6247 0.6262 0.6262 0.8525 0.8525 0.8538 0.8538 1.4997 1.4997 1.5001 1.5001 2.5810 2.5810 2.5814 2.5814 3.2073 3.2073 3.2080 3.2080 4.0042 4.0042 4.0047 4.0047 4.6915 4.6915 4.6921 4.6921 11.4971 11.4971 11.4976 11.4976 12.4565 12.4565 12.4584 12.4584 13.4533 13.4534 k =-0.4861 0.3011 0.5379 ( 4372 PWs) bands (ev): -13.1539 -13.1539 -13.1538 -13.1538 -10.6657 -10.6657 -10.6657 -10.6657 -9.0256 -9.0256 -9.0255 -9.0255 -2.9239 -2.9239 -2.9234 -2.9234 -1.7732 -1.7732 -1.7728 -1.7728 0.6337 0.6337 0.6345 0.6345 0.8424 0.8424 0.8431 0.8431 1.5074 1.5074 1.5076 1.5076 2.5756 2.5756 2.5758 2.5758 3.2049 3.2049 3.2053 3.2053 4.0100 4.0100 4.0102 4.0102 4.6852 4.6852 4.6855 4.6855 11.4994 11.4994 11.4997 11.4997 12.4568 12.4568 12.4577 12.4577 13.4609 13.4609 k =-0.5000 0.3097 0.5379 ( 4368 PWs) bands (ev): -13.1535 -13.1535 -13.1535 -13.1535 -10.6665 -10.6665 -10.6665 -10.6665 -9.0255 -9.0255 -9.0255 -9.0255 -2.9194 -2.9194 -2.9194 -2.9194 -1.7769 -1.7769 -1.7769 -1.7769 0.6372 0.6372 0.6372 0.6372 0.8391 0.8391 0.8391 0.8391 1.5100 1.5100 1.5100 1.5100 2.5738 2.5738 2.5738 2.5738 3.2042 3.2042 3.2042 3.2042 4.0120 4.0120 4.0120 4.0120 4.6832 4.6832 4.6832 4.6832 11.5003 11.5003 11.5003 11.5003 12.4572 12.4572 12.4572 12.4572 13.4641 13.4641 Writing output data file Si2N2O.save init_run : 5.28s CPU 13.65s WALL ( 1 calls) electrons : 1257.46s CPU 1268.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 1257.43s CPU 1267.24s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.88s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.07s CPU 0.57s WALL ( 1 calls) newd : 0.60s CPU 0.74s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.16s WALL ( 374 calls) cegterg : 1188.44s CPU 1195.24s WALL ( 1219 calls) Called by sum_band: Called by *egterg: h_psi : 418.76s CPU 432.02s WALL ( 23225 calls) s_psi : 65.47s CPU 65.87s WALL ( 23225 calls) g_psi : 0.96s CPU 1.04s WALL ( 21632 calls) cdiaghg : 541.05s CPU 535.43s WALL ( 22006 calls) cegterg:over : 92.11s CPU 87.82s WALL ( 21632 calls) cegterg:upda : 19.14s CPU 25.37s WALL ( 21632 calls) cegterg:last : 15.49s CPU 16.42s WALL ( 2717 calls) Called by h_psi: h_psi:vloc : 280.90s CPU 291.56s WALL ( 23225 calls) h_psi:vnl : 137.41s CPU 139.22s WALL ( 23225 calls) add_vuspsi : 48.92s CPU 55.95s WALL ( 23225 calls) General routines calbec : 88.40s CPU 83.08s WALL ( 23225 calls) fft : 0.48s CPU 1.32s WALL ( 19 calls) ffts : 0.01s CPU 0.03s WALL ( 4 calls) fftw : 262.82s CPU 270.22s WALL ( 1813980 calls) interpolate : 0.02s CPU 0.05s WALL ( 4 calls) davcio : 0.04s CPU 4.14s WALL ( 748 calls) Parallel routines fft_scatter : 164.84s CPU 170.32s WALL ( 1814003 calls) PWSCF : 22m24.96s CPU 24m 3.61s WALL This run was terminated on: 23: 0:52 18Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=