Program PWSCF v.5.1.1 starts on 22Nov2015 at 2: 2:47 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 45 26 7 1591 690 109 Max 46 27 8 1596 717 114 Sum 2203 1287 375 76523 33773 5351 bravais-lattice index = 14 lattice parameter (alat) = 9.7813 a.u. unit-cell volume = 777.6397 (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)= 9.781279 celldm(2)= 1.000000 celldm(3)= 0.928897 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.446889 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.446889 0.894590 0.000000 ) a(3) = ( 0.000000 0.000000 0.928897 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.499546 -0.000000 ) b(2) = ( 0.000000 1.117831 -0.000000 ) b(3) = ( 0.000000 0.000000 1.076545 ) 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 ) ( 0.4644486 ) 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) = ( 0.0086392 0.0139729 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172785 0.0279458 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259177 0.0419187 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345569 0.0558915 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431961 0.0698644 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518354 0.0838373 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0604746 0.0978102 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691138 0.1117831 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777531 0.1257560 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0863923 0.1397289 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0950315 0.1537018 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1036707 0.1676746 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1123100 0.1816475 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1209492 0.1956204 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1295884 0.2095933 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1382276 0.2235662 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1468669 0.2375391 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1555061 0.2515120 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1641453 0.2654849 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1727846 0.2794577 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1814238 0.2934306 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1900630 0.3074035 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1987022 0.3213764 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2073415 0.3353493 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2159807 0.3493222 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2246199 0.3632951 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2332591 0.3772680 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2418984 0.3912408 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2505376 0.4052137 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2591768 0.4191866 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2678161 0.4331595 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2764553 0.4471324 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2850945 0.4611053 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2937337 0.4750782 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3023730 0.4890511 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3110122 0.5030239 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3196514 0.5169968 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3282907 0.5309697 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3369299 0.5449426 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3455691 0.5589155 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3455691 0.5589155 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3291134 0.5589155 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3126578 0.5589155 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2962021 0.5589155 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2797464 0.5589155 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2632908 0.5589155 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2468351 0.5589155 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2303794 0.5589155 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2139237 0.5589155 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1974681 0.5589155 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1810124 0.5589155 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1645567 0.5589155 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1481011 0.5589155 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1316454 0.5589155 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1151897 0.5589155 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987340 0.5589155 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0822784 0.5589155 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658227 0.5589155 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493670 0.5589155 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329113 0.5589155 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164557 0.5589155 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5589155 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5589155 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5589155 0.0163113), wk = 0.0026738 k( 66) = ( 0.0000000 0.5589155 0.0326226), wk = 0.0026738 k( 67) = ( 0.0000000 0.5589155 0.0489339), wk = 0.0026738 k( 68) = ( 0.0000000 0.5589155 0.0652452), wk = 0.0026738 k( 69) = ( 0.0000000 0.5589155 0.0815565), wk = 0.0026738 k( 70) = ( 0.0000000 0.5589155 0.0978678), wk = 0.0026738 k( 71) = ( 0.0000000 0.5589155 0.1141791), wk = 0.0026738 k( 72) = ( 0.0000000 0.5589155 0.1304904), wk = 0.0026738 k( 73) = ( 0.0000000 0.5589155 0.1468017), wk = 0.0026738 k( 74) = ( 0.0000000 0.5589155 0.1631129), wk = 0.0026738 k( 75) = ( 0.0000000 0.5589155 0.1794242), wk = 0.0026738 k( 76) = ( 0.0000000 0.5589155 0.1957355), wk = 0.0026738 k( 77) = ( 0.0000000 0.5589155 0.2120468), wk = 0.0026738 k( 78) = ( 0.0000000 0.5589155 0.2283581), wk = 0.0026738 k( 79) = ( 0.0000000 0.5589155 0.2446694), wk = 0.0026738 k( 80) = ( 0.0000000 0.5589155 0.2609807), wk = 0.0026738 k( 81) = ( 0.0000000 0.5589155 0.2772920), wk = 0.0026738 k( 82) = ( 0.0000000 0.5589155 0.2936033), wk = 0.0026738 k( 83) = ( 0.0000000 0.5589155 0.3099146), wk = 0.0026738 k( 84) = ( 0.0000000 0.5589155 0.3262259), wk = 0.0026738 k( 85) = ( 0.0000000 0.5589155 0.3425372), wk = 0.0026738 k( 86) = ( 0.0000000 0.5589155 0.3588485), wk = 0.0026738 k( 87) = ( 0.0000000 0.5589155 0.3751598), wk = 0.0026738 k( 88) = ( 0.0000000 0.5589155 0.3914711), wk = 0.0026738 k( 89) = ( 0.0000000 0.5589155 0.4077824), wk = 0.0026738 k( 90) = ( 0.0000000 0.5589155 0.4240936), wk = 0.0026738 k( 91) = ( 0.0000000 0.5589155 0.4404049), wk = 0.0026738 k( 92) = ( 0.0000000 0.5589155 0.4567162), wk = 0.0026738 k( 93) = ( 0.0000000 0.5589155 0.4730275), wk = 0.0026738 k( 94) = ( 0.0000000 0.5589155 0.4893388), wk = 0.0026738 k( 95) = ( 0.0000000 0.5589155 0.5056501), wk = 0.0026738 k( 96) = ( 0.0000000 0.5589155 0.5219614), wk = 0.0026738 k( 97) = ( 0.0000000 0.5589155 0.5382727), wk = 0.0026738 k( 98) = ( 0.0000000 0.5589155 0.5382727), wk = 0.0026738 k( 99) = ( 0.0164557 0.5589155 0.5382727), wk = 0.0026738 k( 100) = ( 0.0329113 0.5589155 0.5382727), wk = 0.0026738 k( 101) = ( 0.0493670 0.5589155 0.5382727), wk = 0.0026738 k( 102) = ( 0.0658227 0.5589155 0.5382727), wk = 0.0026738 k( 103) = ( 0.0822784 0.5589155 0.5382727), wk = 0.0026738 k( 104) = ( 0.0987340 0.5589155 0.5382727), wk = 0.0026738 k( 105) = ( 0.1151897 0.5589155 0.5382727), wk = 0.0026738 k( 106) = ( 0.1316454 0.5589155 0.5382727), wk = 0.0026738 k( 107) = ( 0.1481011 0.5589155 0.5382727), wk = 0.0026738 k( 108) = ( 0.1645567 0.5589155 0.5382727), wk = 0.0026738 k( 109) = ( 0.1810124 0.5589155 0.5382727), wk = 0.0026738 k( 110) = ( 0.1974681 0.5589155 0.5382727), wk = 0.0026738 k( 111) = ( 0.2139237 0.5589155 0.5382727), wk = 0.0026738 k( 112) = ( 0.2303794 0.5589155 0.5382727), wk = 0.0026738 k( 113) = ( 0.2468351 0.5589155 0.5382727), wk = 0.0026738 k( 114) = ( 0.2632908 0.5589155 0.5382727), wk = 0.0026738 k( 115) = ( 0.2797464 0.5589155 0.5382727), wk = 0.0026738 k( 116) = ( 0.2962021 0.5589155 0.5382727), wk = 0.0026738 k( 117) = ( 0.3126578 0.5589155 0.5382727), wk = 0.0026738 k( 118) = ( 0.3291134 0.5589155 0.5382727), wk = 0.0026738 k( 119) = ( 0.3455691 0.5589155 0.5382727), wk = 0.0026738 k( 120) = ( 0.3455691 0.5589155 0.5382727), wk = 0.0026738 k( 121) = ( 0.3369299 0.5449426 0.5382727), wk = 0.0026738 k( 122) = ( 0.3282907 0.5309697 0.5382727), wk = 0.0026738 k( 123) = ( 0.3196514 0.5169968 0.5382727), wk = 0.0026738 k( 124) = ( 0.3110122 0.5030239 0.5382727), wk = 0.0026738 k( 125) = ( 0.3023730 0.4890511 0.5382727), wk = 0.0026738 k( 126) = ( 0.2937337 0.4750782 0.5382727), wk = 0.0026738 k( 127) = ( 0.2850945 0.4611053 0.5382727), wk = 0.0026738 k( 128) = ( 0.2764553 0.4471324 0.5382727), wk = 0.0026738 k( 129) = ( 0.2678161 0.4331595 0.5382727), wk = 0.0026738 k( 130) = ( 0.2591768 0.4191866 0.5382727), wk = 0.0026738 k( 131) = ( 0.2505376 0.4052137 0.5382727), wk = 0.0026738 k( 132) = ( 0.2418984 0.3912408 0.5382727), wk = 0.0026738 k( 133) = ( 0.2332591 0.3772680 0.5382727), wk = 0.0026738 k( 134) = ( 0.2246199 0.3632951 0.5382727), wk = 0.0026738 k( 135) = ( 0.2159807 0.3493222 0.5382727), wk = 0.0026738 k( 136) = ( 0.2073415 0.3353493 0.5382727), wk = 0.0026738 k( 137) = ( 0.1987022 0.3213764 0.5382727), wk = 0.0026738 k( 138) = ( 0.1900630 0.3074035 0.5382727), wk = 0.0026738 k( 139) = ( 0.1814238 0.2934306 0.5382727), wk = 0.0026738 k( 140) = ( 0.1727846 0.2794577 0.5382727), wk = 0.0026738 k( 141) = ( 0.1641453 0.2654849 0.5382727), wk = 0.0026738 k( 142) = ( 0.1555061 0.2515120 0.5382727), wk = 0.0026738 k( 143) = ( 0.1468669 0.2375391 0.5382727), wk = 0.0026738 k( 144) = ( 0.1382276 0.2235662 0.5382727), wk = 0.0026738 k( 145) = ( 0.1295884 0.2095933 0.5382727), wk = 0.0026738 k( 146) = ( 0.1209492 0.1956204 0.5382727), wk = 0.0026738 k( 147) = ( 0.1123100 0.1816475 0.5382727), wk = 0.0026738 k( 148) = ( 0.1036707 0.1676746 0.5382727), wk = 0.0026738 k( 149) = ( 0.0950315 0.1537018 0.5382727), wk = 0.0026738 k( 150) = ( 0.0863923 0.1397289 0.5382727), wk = 0.0026738 k( 151) = ( 0.0777531 0.1257560 0.5382727), wk = 0.0026738 k( 152) = ( 0.0691138 0.1117831 0.5382727), wk = 0.0026738 k( 153) = ( 0.0604746 0.0978102 0.5382727), wk = 0.0026738 k( 154) = ( 0.0518354 0.0838373 0.5382727), wk = 0.0026738 k( 155) = ( 0.0431961 0.0698644 0.5382727), wk = 0.0026738 k( 156) = ( 0.0345569 0.0558915 0.5382727), wk = 0.0026738 k( 157) = ( 0.0259177 0.0419187 0.5382727), wk = 0.0026738 k( 158) = ( 0.0172785 0.0279458 0.5382727), wk = 0.0026738 k( 159) = ( 0.0086392 0.0139729 0.5382727), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5382727), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5382727), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5219614), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5056501), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4893388), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4730275), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4567162), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4404049), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4240936), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4077824), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3914711), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3751598), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3588485), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3425372), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3262259), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3099146), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2936033), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2772920), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2609807), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2446694), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2283581), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2120468), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1957355), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1794242), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1631129), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1468017), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1304904), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1141791), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0978678), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0815565), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0652452), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489339), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326226), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163113), 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 0.0085873 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171746 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257619 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343492 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0429365 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0515238 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0601110 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0686983 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0772856 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0858729 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0944602 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1030475 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1116348 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1202221 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1288094 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1373967 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1459840 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1545713 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1631586 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1717459 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1803331 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1889204 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1975077 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2060950 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2146823 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2232696 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2318569 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2404442 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2490315 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2576188 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2662061 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2747934 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2833807 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2919679 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3005552 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3091425 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3091425 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914205 0.3230188 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828410 0.3368951 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742615 0.3507714 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4656820 0.3646476 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571025 0.3785239 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485230 0.3924002 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4399435 0.4062765 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4313640 0.4201527 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4227845 0.4340290 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4142051 0.4479053 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4056256 0.4617816 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3970461 0.4756578 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3884666 0.4895341 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3798871 0.5034104 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3713076 0.5172867 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3627281 0.5311630 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3541486 0.5450392 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3455691 0.5589155 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3455691 0.5589155 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3455691 0.5589155 0.0163113), wk = 0.0026738 k( 253) = ( -0.3455691 0.5589155 0.0326226), wk = 0.0026738 k( 254) = ( -0.3455691 0.5589155 0.0489339), wk = 0.0026738 k( 255) = ( -0.3455691 0.5589155 0.0652452), wk = 0.0026738 k( 256) = ( -0.3455691 0.5589155 0.0815565), wk = 0.0026738 k( 257) = ( -0.3455691 0.5589155 0.0978678), wk = 0.0026738 k( 258) = ( -0.3455691 0.5589155 0.1141791), wk = 0.0026738 k( 259) = ( -0.3455691 0.5589155 0.1304904), wk = 0.0026738 k( 260) = ( -0.3455691 0.5589155 0.1468017), wk = 0.0026738 k( 261) = ( -0.3455691 0.5589155 0.1631129), wk = 0.0026738 k( 262) = ( -0.3455691 0.5589155 0.1794242), wk = 0.0026738 k( 263) = ( -0.3455691 0.5589155 0.1957355), wk = 0.0026738 k( 264) = ( -0.3455691 0.5589155 0.2120468), wk = 0.0026738 k( 265) = ( -0.3455691 0.5589155 0.2283581), wk = 0.0026738 k( 266) = ( -0.3455691 0.5589155 0.2446694), wk = 0.0026738 k( 267) = ( -0.3455691 0.5589155 0.2609807), wk = 0.0026738 k( 268) = ( -0.3455691 0.5589155 0.2772920), wk = 0.0026738 k( 269) = ( -0.3455691 0.5589155 0.2936033), wk = 0.0026738 k( 270) = ( -0.3455691 0.5589155 0.3099146), wk = 0.0026738 k( 271) = ( -0.3455691 0.5589155 0.3262259), wk = 0.0026738 k( 272) = ( -0.3455691 0.5589155 0.3425372), wk = 0.0026738 k( 273) = ( -0.3455691 0.5589155 0.3588485), wk = 0.0026738 k( 274) = ( -0.3455691 0.5589155 0.3751598), wk = 0.0026738 k( 275) = ( -0.3455691 0.5589155 0.3914711), wk = 0.0026738 k( 276) = ( -0.3455691 0.5589155 0.4077824), wk = 0.0026738 k( 277) = ( -0.3455691 0.5589155 0.4240936), wk = 0.0026738 k( 278) = ( -0.3455691 0.5589155 0.4404049), wk = 0.0026738 k( 279) = ( -0.3455691 0.5589155 0.4567162), wk = 0.0026738 k( 280) = ( -0.3455691 0.5589155 0.4730275), wk = 0.0026738 k( 281) = ( -0.3455691 0.5589155 0.4893388), wk = 0.0026738 k( 282) = ( -0.3455691 0.5589155 0.5056501), wk = 0.0026738 k( 283) = ( -0.3455691 0.5589155 0.5219614), wk = 0.0026738 k( 284) = ( -0.3455691 0.5589155 0.5382727), wk = 0.0026738 k( 285) = ( -0.3455691 0.5589155 0.5382727), wk = 0.0026738 k( 286) = ( -0.3541486 0.5450392 0.5382727), wk = 0.0026738 k( 287) = ( -0.3627281 0.5311630 0.5382727), wk = 0.0026738 k( 288) = ( -0.3713076 0.5172867 0.5382727), wk = 0.0026738 k( 289) = ( -0.3798871 0.5034104 0.5382727), wk = 0.0026738 k( 290) = ( -0.3884666 0.4895341 0.5382727), wk = 0.0026738 k( 291) = ( -0.3970461 0.4756578 0.5382727), wk = 0.0026738 k( 292) = ( -0.4056256 0.4617816 0.5382727), wk = 0.0026738 k( 293) = ( -0.4142051 0.4479053 0.5382727), wk = 0.0026738 k( 294) = ( -0.4227845 0.4340290 0.5382727), wk = 0.0026738 k( 295) = ( -0.4313640 0.4201527 0.5382727), wk = 0.0026738 k( 296) = ( -0.4399435 0.4062765 0.5382727), wk = 0.0026738 k( 297) = ( -0.4485230 0.3924002 0.5382727), wk = 0.0026738 k( 298) = ( -0.4571025 0.3785239 0.5382727), wk = 0.0026738 k( 299) = ( -0.4656820 0.3646476 0.5382727), wk = 0.0026738 k( 300) = ( -0.4742615 0.3507714 0.5382727), wk = 0.0026738 k( 301) = ( -0.4828410 0.3368951 0.5382727), wk = 0.0026738 k( 302) = ( -0.4914205 0.3230188 0.5382727), wk = 0.0026738 k( 303) = ( -0.5000000 0.3091425 0.5382727), wk = 0.0026738 k( 304) = ( -0.5000000 0.3091425 0.5382727), wk = 0.0026738 k( 305) = ( -0.5000000 0.3091425 0.5219614), wk = 0.0026738 k( 306) = ( -0.5000000 0.3091425 0.5056501), wk = 0.0026738 k( 307) = ( -0.5000000 0.3091425 0.4893388), wk = 0.0026738 k( 308) = ( -0.5000000 0.3091425 0.4730275), wk = 0.0026738 k( 309) = ( -0.5000000 0.3091425 0.4567162), wk = 0.0026738 k( 310) = ( -0.5000000 0.3091425 0.4404049), wk = 0.0026738 k( 311) = ( -0.5000000 0.3091425 0.4240936), wk = 0.0026738 k( 312) = ( -0.5000000 0.3091425 0.4077824), wk = 0.0026738 k( 313) = ( -0.5000000 0.3091425 0.3914711), wk = 0.0026738 k( 314) = ( -0.5000000 0.3091425 0.3751598), wk = 0.0026738 k( 315) = ( -0.5000000 0.3091425 0.3588485), wk = 0.0026738 k( 316) = ( -0.5000000 0.3091425 0.3425372), wk = 0.0026738 k( 317) = ( -0.5000000 0.3091425 0.3262259), wk = 0.0026738 k( 318) = ( -0.5000000 0.3091425 0.3099146), wk = 0.0026738 k( 319) = ( -0.5000000 0.3091425 0.2936033), wk = 0.0026738 k( 320) = ( -0.5000000 0.3091425 0.2772920), wk = 0.0026738 k( 321) = ( -0.5000000 0.3091425 0.2609807), wk = 0.0026738 k( 322) = ( -0.5000000 0.3091425 0.2446694), wk = 0.0026738 k( 323) = ( -0.5000000 0.3091425 0.2283581), wk = 0.0026738 k( 324) = ( -0.5000000 0.3091425 0.2120468), wk = 0.0026738 k( 325) = ( -0.5000000 0.3091425 0.1957355), wk = 0.0026738 k( 326) = ( -0.5000000 0.3091425 0.1794242), wk = 0.0026738 k( 327) = ( -0.5000000 0.3091425 0.1631129), wk = 0.0026738 k( 328) = ( -0.5000000 0.3091425 0.1468017), wk = 0.0026738 k( 329) = ( -0.5000000 0.3091425 0.1304904), wk = 0.0026738 k( 330) = ( -0.5000000 0.3091425 0.1141791), wk = 0.0026738 k( 331) = ( -0.5000000 0.3091425 0.0978678), wk = 0.0026738 k( 332) = ( -0.5000000 0.3091425 0.0815565), wk = 0.0026738 k( 333) = ( -0.5000000 0.3091425 0.0652452), wk = 0.0026738 k( 334) = ( -0.5000000 0.3091425 0.0489339), wk = 0.0026738 k( 335) = ( -0.5000000 0.3091425 0.0326226), wk = 0.0026738 k( 336) = ( -0.5000000 0.3091425 0.0163113), wk = 0.0026738 k( 337) = ( -0.5000000 0.3091425 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5382727), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085873 0.5382727), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171746 0.5382727), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257619 0.5382727), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343492 0.5382727), wk = 0.0026738 k( 343) = ( -0.0694444 0.0429365 0.5382727), wk = 0.0026738 k( 344) = ( -0.0833333 0.0515238 0.5382727), wk = 0.0026738 k( 345) = ( -0.0972222 0.0601110 0.5382727), wk = 0.0026738 k( 346) = ( -0.1111111 0.0686983 0.5382727), wk = 0.0026738 k( 347) = ( -0.1250000 0.0772856 0.5382727), wk = 0.0026738 k( 348) = ( -0.1388889 0.0858729 0.5382727), wk = 0.0026738 k( 349) = ( -0.1527778 0.0944602 0.5382727), wk = 0.0026738 k( 350) = ( -0.1666667 0.1030475 0.5382727), wk = 0.0026738 k( 351) = ( -0.1805556 0.1116348 0.5382727), wk = 0.0026738 k( 352) = ( -0.1944444 0.1202221 0.5382727), wk = 0.0026738 k( 353) = ( -0.2083333 0.1288094 0.5382727), wk = 0.0026738 k( 354) = ( -0.2222222 0.1373967 0.5382727), wk = 0.0026738 k( 355) = ( -0.2361111 0.1459840 0.5382727), wk = 0.0026738 k( 356) = ( -0.2500000 0.1545713 0.5382727), wk = 0.0026738 k( 357) = ( -0.2638889 0.1631586 0.5382727), wk = 0.0026738 k( 358) = ( -0.2777778 0.1717459 0.5382727), wk = 0.0026738 k( 359) = ( -0.2916667 0.1803331 0.5382727), wk = 0.0026738 k( 360) = ( -0.3055556 0.1889204 0.5382727), wk = 0.0026738 k( 361) = ( -0.3194444 0.1975077 0.5382727), wk = 0.0026738 k( 362) = ( -0.3333333 0.2060950 0.5382727), wk = 0.0026738 k( 363) = ( -0.3472222 0.2146823 0.5382727), wk = 0.0026738 k( 364) = ( -0.3611111 0.2232696 0.5382727), wk = 0.0026738 k( 365) = ( -0.3750000 0.2318569 0.5382727), wk = 0.0026738 k( 366) = ( -0.3888889 0.2404442 0.5382727), wk = 0.0026738 k( 367) = ( -0.4027778 0.2490315 0.5382727), wk = 0.0026738 k( 368) = ( -0.4166667 0.2576188 0.5382727), wk = 0.0026738 k( 369) = ( -0.4305556 0.2662061 0.5382727), wk = 0.0026738 k( 370) = ( -0.4444444 0.2747934 0.5382727), wk = 0.0026738 k( 371) = ( -0.4583333 0.2833807 0.5382727), wk = 0.0026738 k( 372) = ( -0.4722222 0.2919679 0.5382727), wk = 0.0026738 k( 373) = ( -0.4861111 0.3005552 0.5382727), wk = 0.0026738 k( 374) = ( -0.5000000 0.3091425 0.5382727), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086392 0.0086392 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172785 0.0172785 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259177 0.0259177 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345569 0.0345569 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431961 0.0431961 0.0000000), wk = 0.0026738 k( 7) = ( 0.0518354 0.0518354 0.0000000), wk = 0.0026738 k( 8) = ( 0.0604746 0.0604746 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691138 0.0691138 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777531 0.0777531 0.0000000), wk = 0.0026738 k( 11) = ( 0.0863923 0.0863923 0.0000000), wk = 0.0026738 k( 12) = ( 0.0950315 0.0950315 0.0000000), wk = 0.0026738 k( 13) = ( 0.1036707 0.1036707 0.0000000), wk = 0.0026738 k( 14) = ( 0.1123100 0.1123100 0.0000000), wk = 0.0026738 k( 15) = ( 0.1209492 0.1209492 0.0000000), wk = 0.0026738 k( 16) = ( 0.1295884 0.1295884 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1382276 0.1382276 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1468669 0.1468669 0.0000000), wk = 0.0026738 k( 19) = ( 0.1555061 0.1555061 0.0000000), wk = 0.0026738 k( 20) = ( 0.1641453 0.1641453 0.0000000), wk = 0.0026738 k( 21) = ( 0.1727846 0.1727846 0.0000000), wk = 0.0026738 k( 22) = ( 0.1814238 0.1814238 0.0000000), wk = 0.0026738 k( 23) = ( 0.1900630 0.1900630 0.0000000), wk = 0.0026738 k( 24) = ( 0.1987022 0.1987022 0.0000000), wk = 0.0026738 k( 25) = ( 0.2073415 0.2073415 0.0000000), wk = 0.0026738 k( 26) = ( 0.2159807 0.2159807 0.0000000), wk = 0.0026738 k( 27) = ( 0.2246199 0.2246199 0.0000000), wk = 0.0026738 k( 28) = ( 0.2332591 0.2332591 0.0000000), wk = 0.0026738 k( 29) = ( 0.2418984 0.2418984 0.0000000), wk = 0.0026738 k( 30) = ( 0.2505376 0.2505376 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2591768 0.2591768 0.0000000), wk = 0.0026738 k( 32) = ( 0.2678161 0.2678161 0.0000000), wk = 0.0026738 k( 33) = ( 0.2764553 0.2764553 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2850945 0.2850945 0.0000000), wk = 0.0026738 k( 35) = ( 0.2937337 0.2937337 0.0000000), wk = 0.0026738 k( 36) = ( 0.3023730 0.3023730 0.0000000), wk = 0.0026738 k( 37) = ( 0.3110122 0.3110122 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3196514 0.3196514 0.0000000), wk = 0.0026738 k( 39) = ( 0.3282907 0.3282907 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3369299 0.3369299 0.0000000), wk = 0.0026738 k( 41) = ( 0.3455691 0.3455691 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3455691 0.3455691 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3291134 0.3529230 0.0000000), wk = 0.0026738 k( 44) = ( 0.3126578 0.3602768 0.0000000), wk = 0.0026738 k( 45) = ( 0.2962021 0.3676307 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2797464 0.3749845 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2632908 0.3823384 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2468351 0.3896922 0.0000000), wk = 0.0026738 k( 49) = ( 0.2303794 0.3970461 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2139237 0.4043999 0.0000000), wk = 0.0026738 k( 51) = ( 0.1974681 0.4117538 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1810124 0.4191076 0.0000000), wk = 0.0026738 k( 53) = ( 0.1645567 0.4264615 0.0000000), wk = 0.0026738 k( 54) = ( 0.1481011 0.4338153 0.0000000), wk = 0.0026738 k( 55) = ( 0.1316454 0.4411692 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1151897 0.4485230 0.0000000), wk = 0.0026738 k( 57) = ( 0.0987340 0.4558769 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0822784 0.4632307 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658227 0.4705846 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493670 0.4779384 0.0000000), wk = 0.0026738 k( 61) = ( 0.0329113 0.4852923 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164557 0.4926462 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 0.1515152), 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) = ( 0.0164557 0.4926462 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329113 0.4852923 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493670 0.4779384 0.5000000), wk = 0.0026738 k( 102) = ( 0.0658227 0.4705846 0.5000000), wk = 0.0026738 k( 103) = ( 0.0822784 0.4632307 0.5000000), wk = 0.0026738 k( 104) = ( 0.0987340 0.4558769 0.5000000), wk = 0.0026738 k( 105) = ( 0.1151897 0.4485230 0.5000000), wk = 0.0026738 k( 106) = ( 0.1316454 0.4411692 0.5000000), wk = 0.0026738 k( 107) = ( 0.1481011 0.4338153 0.5000000), wk = 0.0026738 k( 108) = ( 0.1645567 0.4264615 0.5000000), wk = 0.0026738 k( 109) = ( 0.1810124 0.4191076 0.5000000), wk = 0.0026738 k( 110) = ( 0.1974681 0.4117538 0.5000000), wk = 0.0026738 k( 111) = ( 0.2139237 0.4043999 0.5000000), wk = 0.0026738 k( 112) = ( 0.2303794 0.3970461 0.5000000), wk = 0.0026738 k( 113) = ( 0.2468351 0.3896922 0.5000000), wk = 0.0026738 k( 114) = ( 0.2632908 0.3823384 0.5000000), wk = 0.0026738 k( 115) = ( 0.2797464 0.3749845 0.5000000), wk = 0.0026738 k( 116) = ( 0.2962021 0.3676307 0.5000000), wk = 0.0026738 k( 117) = ( 0.3126578 0.3602768 0.5000000), wk = 0.0026738 k( 118) = ( 0.3291134 0.3529230 0.5000000), wk = 0.0026738 k( 119) = ( 0.3455691 0.3455691 0.5000000), wk = 0.0026738 k( 120) = ( 0.3455691 0.3455691 0.5000000), wk = 0.0026738 k( 121) = ( 0.3369299 0.3369299 0.5000000), wk = 0.0026738 k( 122) = ( 0.3282907 0.3282907 0.5000000), wk = 0.0026738 k( 123) = ( 0.3196514 0.3196514 0.5000000), wk = 0.0026738 k( 124) = ( 0.3110122 0.3110122 0.5000000), wk = 0.0026738 k( 125) = ( 0.3023730 0.3023730 0.5000000), wk = 0.0026738 k( 126) = ( 0.2937337 0.2937337 0.5000000), wk = 0.0026738 k( 127) = ( 0.2850945 0.2850945 0.5000000), wk = 0.0026738 k( 128) = ( 0.2764553 0.2764553 0.5000000), wk = 0.0026738 k( 129) = ( 0.2678161 0.2678161 0.5000000), wk = 0.0026738 k( 130) = ( 0.2591768 0.2591768 0.5000000), wk = 0.0026738 k( 131) = ( 0.2505376 0.2505376 0.5000000), wk = 0.0026738 k( 132) = ( 0.2418984 0.2418984 0.5000000), wk = 0.0026738 k( 133) = ( 0.2332591 0.2332591 0.5000000), wk = 0.0026738 k( 134) = ( 0.2246199 0.2246199 0.5000000), wk = 0.0026738 k( 135) = ( 0.2159807 0.2159807 0.5000000), wk = 0.0026738 k( 136) = ( 0.2073415 0.2073415 0.5000000), wk = 0.0026738 k( 137) = ( 0.1987022 0.1987022 0.5000000), wk = 0.0026738 k( 138) = ( 0.1900630 0.1900630 0.5000000), wk = 0.0026738 k( 139) = ( 0.1814238 0.1814238 0.5000000), wk = 0.0026738 k( 140) = ( 0.1727846 0.1727846 0.5000000), wk = 0.0026738 k( 141) = ( 0.1641453 0.1641453 0.5000000), wk = 0.0026738 k( 142) = ( 0.1555061 0.1555061 0.5000000), wk = 0.0026738 k( 143) = ( 0.1468669 0.1468669 0.5000000), wk = 0.0026738 k( 144) = ( 0.1382276 0.1382276 0.5000000), wk = 0.0026738 k( 145) = ( 0.1295884 0.1295884 0.5000000), wk = 0.0026738 k( 146) = ( 0.1209492 0.1209492 0.5000000), wk = 0.0026738 k( 147) = ( 0.1123100 0.1123100 0.5000000), wk = 0.0026738 k( 148) = ( 0.1036707 0.1036707 0.5000000), wk = 0.0026738 k( 149) = ( 0.0950315 0.0950315 0.5000000), wk = 0.0026738 k( 150) = ( 0.0863923 0.0863923 0.5000000), wk = 0.0026738 k( 151) = ( 0.0777531 0.0777531 0.5000000), wk = 0.0026738 k( 152) = ( 0.0691138 0.0691138 0.5000000), wk = 0.0026738 k( 153) = ( 0.0604746 0.0604746 0.5000000), wk = 0.0026738 k( 154) = ( 0.0518354 0.0518354 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431961 0.0431961 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345569 0.0345569 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259177 0.0259177 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172785 0.0172785 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086392 0.0086392 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 0.4545455), 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) = ( -0.4914205 0.5085795 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828410 0.5171590 0.0000000), wk = 0.0026738 k( 235) = ( -0.4742615 0.5257385 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4656820 0.5343180 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571025 0.5428975 0.0000000), wk = 0.0026738 k( 238) = ( -0.4485230 0.5514770 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4399435 0.5600565 0.0000000), wk = 0.0026738 k( 240) = ( -0.4313640 0.5686360 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4227845 0.5772154 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4142051 0.5857949 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4056256 0.5943744 0.0000000), wk = 0.0026738 k( 244) = ( -0.3970461 0.6029539 0.0000000), wk = 0.0026738 k( 245) = ( -0.3884666 0.6115334 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3798871 0.6201129 0.0000000), wk = 0.0026738 k( 247) = ( -0.3713076 0.6286924 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3627281 0.6372719 0.0000000), wk = 0.0026738 k( 249) = ( -0.3541486 0.6458514 0.0000000), wk = 0.0026738 k( 250) = ( -0.3455691 0.6544309 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3455691 0.6544309 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3455691 0.6544309 0.0151515), wk = 0.0026738 k( 253) = ( -0.3455691 0.6544309 0.0303030), wk = 0.0026738 k( 254) = ( -0.3455691 0.6544309 0.0454546), wk = 0.0026738 k( 255) = ( -0.3455691 0.6544309 0.0606061), wk = 0.0026738 k( 256) = ( -0.3455691 0.6544309 0.0757576), wk = 0.0026738 k( 257) = ( -0.3455691 0.6544309 0.0909091), wk = 0.0026738 k( 258) = ( -0.3455691 0.6544309 0.1060606), wk = 0.0026738 k( 259) = ( -0.3455691 0.6544309 0.1212121), wk = 0.0026738 k( 260) = ( -0.3455691 0.6544309 0.1363636), wk = 0.0026738 k( 261) = ( -0.3455691 0.6544309 0.1515152), wk = 0.0026738 k( 262) = ( -0.3455691 0.6544309 0.1666667), wk = 0.0026738 k( 263) = ( -0.3455691 0.6544309 0.1818182), wk = 0.0026738 k( 264) = ( -0.3455691 0.6544309 0.1969697), wk = 0.0026738 k( 265) = ( -0.3455691 0.6544309 0.2121212), wk = 0.0026738 k( 266) = ( -0.3455691 0.6544309 0.2272727), wk = 0.0026738 k( 267) = ( -0.3455691 0.6544309 0.2424242), wk = 0.0026738 k( 268) = ( -0.3455691 0.6544309 0.2575758), wk = 0.0026738 k( 269) = ( -0.3455691 0.6544309 0.2727273), wk = 0.0026738 k( 270) = ( -0.3455691 0.6544309 0.2878788), wk = 0.0026738 k( 271) = ( -0.3455691 0.6544309 0.3030303), wk = 0.0026738 k( 272) = ( -0.3455691 0.6544309 0.3181818), wk = 0.0026738 k( 273) = ( -0.3455691 0.6544309 0.3333333), wk = 0.0026738 k( 274) = ( -0.3455691 0.6544309 0.3484849), wk = 0.0026738 k( 275) = ( -0.3455691 0.6544309 0.3636364), wk = 0.0026738 k( 276) = ( -0.3455691 0.6544309 0.3787879), wk = 0.0026738 k( 277) = ( -0.3455691 0.6544309 0.3939394), wk = 0.0026738 k( 278) = ( -0.3455691 0.6544309 0.4090909), wk = 0.0026738 k( 279) = ( -0.3455691 0.6544309 0.4242424), wk = 0.0026738 k( 280) = ( -0.3455691 0.6544309 0.4393939), wk = 0.0026738 k( 281) = ( -0.3455691 0.6544309 0.4545455), wk = 0.0026738 k( 282) = ( -0.3455691 0.6544309 0.4696970), wk = 0.0026738 k( 283) = ( -0.3455691 0.6544309 0.4848485), wk = 0.0026738 k( 284) = ( -0.3455691 0.6544309 0.5000000), wk = 0.0026738 k( 285) = ( -0.3455691 0.6544309 0.5000000), wk = 0.0026738 k( 286) = ( -0.3541486 0.6458514 0.5000000), wk = 0.0026738 k( 287) = ( -0.3627281 0.6372719 0.5000000), wk = 0.0026738 k( 288) = ( -0.3713076 0.6286924 0.5000000), wk = 0.0026738 k( 289) = ( -0.3798871 0.6201129 0.5000000), wk = 0.0026738 k( 290) = ( -0.3884666 0.6115334 0.5000000), wk = 0.0026738 k( 291) = ( -0.3970461 0.6029539 0.5000000), wk = 0.0026738 k( 292) = ( -0.4056256 0.5943744 0.5000000), wk = 0.0026738 k( 293) = ( -0.4142051 0.5857949 0.5000000), wk = 0.0026738 k( 294) = ( -0.4227845 0.5772154 0.5000000), wk = 0.0026738 k( 295) = ( -0.4313640 0.5686360 0.5000000), wk = 0.0026738 k( 296) = ( -0.4399435 0.5600565 0.5000000), wk = 0.0026738 k( 297) = ( -0.4485230 0.5514770 0.5000000), wk = 0.0026738 k( 298) = ( -0.4571025 0.5428975 0.5000000), wk = 0.0026738 k( 299) = ( -0.4656820 0.5343180 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742615 0.5257385 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828410 0.5171590 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914205 0.5085795 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 0.4545455), 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: 76523 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 33773 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 192, 58) NL pseudopotentials 0.32 Mb ( 96, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1596) G-vector shells 0.01 Mb ( 821) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 192, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000003 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 44.1 secs Computing kpt #: 2 total cpu time spent up to now is 46.7 secs Computing kpt #: 3 total cpu time spent up to now is 49.2 secs Computing kpt #: 4 total cpu time spent up to now is 51.7 secs Computing kpt #: 5 total cpu time spent up to now is 54.3 secs Computing kpt #: 6 total cpu time spent up to now is 56.8 secs Computing kpt #: 7 total cpu time spent up to now is 59.4 secs Computing kpt #: 8 total cpu time spent up to now is 61.8 secs Computing kpt #: 9 total cpu time spent up to now is 64.2 secs Computing kpt #: 10 total cpu time spent up to now is 66.5 secs Computing kpt #: 11 total cpu time spent up to now is 68.9 secs Computing kpt #: 12 total cpu time spent up to now is 71.2 secs Computing kpt #: 13 total cpu time spent up to now is 73.6 secs Computing kpt #: 14 total cpu time spent up to now is 75.9 secs Computing kpt #: 15 total cpu time spent up to now is 78.3 secs Computing kpt #: 16 total cpu time spent up to now is 80.7 secs Computing kpt #: 17 total cpu time spent up to now is 83.2 secs Computing kpt #: 18 total cpu time spent up to now is 85.8 secs Computing kpt #: 19 total cpu time spent up to now is 88.5 secs Computing kpt #: 20 total cpu time spent up to now is 91.2 secs Computing kpt #: 21 total cpu time spent up to now is 94.2 secs Computing kpt #: 22 total cpu time spent up to now is 97.0 secs Computing kpt #: 23 total cpu time spent up to now is 100.4 secs Computing kpt #: 24 total cpu time spent up to now is 103.2 secs Computing kpt #: 25 total cpu time spent up to now is 106.2 secs Computing kpt #: 26 total cpu time spent up to now is 109.4 secs Computing kpt #: 27 total cpu time spent up to now is 112.6 secs Computing kpt #: 28 total cpu time spent up to now is 117.3 secs Computing kpt #: 29 total cpu time spent up to now is 120.4 secs Computing kpt #: 30 total cpu time spent up to now is 123.5 secs Computing kpt #: 31 total cpu time spent up to now is 126.4 secs Computing kpt #: 32 total cpu time spent up to now is 130.1 secs Computing kpt #: 33 total cpu time spent up to now is 133.3 secs Computing kpt #: 34 total cpu time spent up to now is 136.4 secs Computing kpt #: 35 total cpu time spent up to now is 139.3 secs Computing kpt #: 36 total cpu time spent up to now is 142.1 secs Computing kpt #: 37 total cpu time spent up to now is 144.8 secs Computing kpt #: 38 total cpu time spent up to now is 147.5 secs Computing kpt #: 39 total cpu time spent up to now is 150.1 secs Computing kpt #: 40 total cpu time spent up to now is 152.7 secs Computing kpt #: 41 total cpu time spent up to now is 155.8 secs Computing kpt #: 42 total cpu time spent up to now is 159.0 secs Computing kpt #: 43 total cpu time spent up to now is 162.0 secs Computing kpt #: 44 total cpu time spent up to now is 164.8 secs Computing kpt #: 45 total cpu time spent up to now is 167.5 secs Computing kpt #: 46 total cpu time spent up to now is 170.2 secs Computing kpt #: 47 total cpu time spent up to now is 172.9 secs Computing kpt #: 48 total cpu time spent up to now is 175.9 secs Computing kpt #: 49 total cpu time spent up to now is 178.7 secs Computing kpt #: 50 total cpu time spent up to now is 181.7 secs Computing kpt #: 51 total cpu time spent up to now is 184.7 secs Computing kpt #: 52 total cpu time spent up to now is 188.6 secs Computing kpt #: 53 total cpu time spent up to now is 193.6 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.0 secs Computing kpt #: 55 total cpu time spent up to now is 203.5 secs Computing kpt #: 56 total cpu time spent up to now is 206.7 secs Computing kpt #: 57 total cpu time spent up to now is 209.8 secs Computing kpt #: 58 total cpu time spent up to now is 212.8 secs Computing kpt #: 59 total cpu time spent up to now is 215.5 secs Computing kpt #: 60 total cpu time spent up to now is 218.2 secs Computing kpt #: 61 total cpu time spent up to now is 220.8 secs Computing kpt #: 62 total cpu time spent up to now is 223.4 secs Computing kpt #: 63 total cpu time spent up to now is 225.9 secs Computing kpt #: 64 total cpu time spent up to now is 228.3 secs Computing kpt #: 65 total cpu time spent up to now is 230.8 secs Computing kpt #: 66 total cpu time spent up to now is 233.3 secs Computing kpt #: 67 total cpu time spent up to now is 236.1 secs Computing kpt #: 68 total cpu time spent up to now is 238.7 secs Computing kpt #: 69 total cpu time spent up to now is 241.5 secs Computing kpt #: 70 total cpu time spent up to now is 244.3 secs Computing kpt #: 71 total cpu time spent up to now is 247.3 secs Computing kpt #: 72 total cpu time spent up to now is 250.3 secs Computing kpt #: 73 total cpu time spent up to now is 253.8 secs Computing kpt #: 74 total cpu time spent up to now is 257.3 secs Computing kpt #: 75 total cpu time spent up to now is 260.7 secs Computing kpt #: 76 total cpu time spent up to now is 264.2 secs Computing kpt #: 77 total cpu time spent up to now is 267.9 secs Computing kpt #: 78 total cpu time spent up to now is 271.7 secs Computing kpt #: 79 total cpu time spent up to now is 275.6 secs Computing kpt #: 80 total cpu time spent up to now is 280.4 secs Computing kpt #: 81 total cpu time spent up to now is 287.4 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.7 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.0 secs Computing kpt #: 84 total cpu time spent up to now is 302.4 secs Computing kpt #: 85 total cpu time spent up to now is 306.0 secs Computing kpt #: 86 total cpu time spent up to now is 309.3 secs Computing kpt #: 87 total cpu time spent up to now is 312.3 secs Computing kpt #: 88 total cpu time spent up to now is 315.2 secs Computing kpt #: 89 total cpu time spent up to now is 318.3 secs Computing kpt #: 90 total cpu time spent up to now is 321.3 secs Computing kpt #: 91 total cpu time spent up to now is 324.3 secs Computing kpt #: 92 total cpu time spent up to now is 327.4 secs Computing kpt #: 93 total cpu time spent up to now is 330.3 secs Computing kpt #: 94 total cpu time spent up to now is 333.3 secs Computing kpt #: 95 total cpu time spent up to now is 336.1 secs Computing kpt #: 96 total cpu time spent up to now is 339.2 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 344.4 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.4 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 354.6 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 359.7 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 364.6 secs Computing kpt #: 102 total cpu time spent up to now is 368.0 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 372.9 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.2 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.0 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 388.0 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.1 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 398.1 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 403.1 secs Computing kpt #: 110 total cpu time spent up to now is 406.3 secs Computing kpt #: 111 total cpu time spent up to now is 409.6 secs Computing kpt #: 112 total cpu time spent up to now is 412.9 secs Computing kpt #: 113 total cpu time spent up to now is 416.3 secs Computing kpt #: 114 total cpu time spent up to now is 419.5 secs Computing kpt #: 115 total cpu time spent up to now is 422.8 secs Computing kpt #: 116 total cpu time spent up to now is 427.3 secs Computing kpt #: 117 total cpu time spent up to now is 431.8 secs Computing kpt #: 118 total cpu time spent up to now is 436.5 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.9 secs Computing kpt #: 121 total cpu time spent up to now is 450.5 secs Computing kpt #: 122 total cpu time spent up to now is 453.7 secs Computing kpt #: 123 total cpu time spent up to now is 456.7 secs Computing kpt #: 124 total cpu time spent up to now is 461.1 secs Computing kpt #: 125 total cpu time spent up to now is 464.3 secs Computing kpt #: 126 total cpu time spent up to now is 467.4 secs Computing kpt #: 127 total cpu time spent up to now is 470.4 secs Computing kpt #: 128 total cpu time spent up to now is 472.9 secs Computing kpt #: 129 total cpu time spent up to now is 476.1 secs Computing kpt #: 130 total cpu time spent up to now is 479.1 secs Computing kpt #: 131 total cpu time spent up to now is 482.2 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.1 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.9 secs Computing kpt #: 134 total cpu time spent up to now is 496.0 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.0 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.8 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 510.7 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.8 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.8 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 525.6 secs Computing kpt #: 141 total cpu time spent up to now is 530.4 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 535.3 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 540.1 secs Computing kpt #: 144 total cpu time spent up to now is 544.5 secs Computing kpt #: 145 total cpu time spent up to now is 547.7 secs Computing kpt #: 146 total cpu time spent up to now is 552.0 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.8 secs Computing kpt #: 148 total cpu time spent up to now is 560.2 secs Computing kpt #: 149 total cpu time spent up to now is 563.6 secs Computing kpt #: 150 total cpu time spent up to now is 567.9 secs Computing kpt #: 151 total cpu time spent up to now is 571.1 secs Computing kpt #: 152 total cpu time spent up to now is 575.3 secs Computing kpt #: 153 total cpu time spent up to now is 578.8 secs Computing kpt #: 154 total cpu time spent up to now is 582.2 secs Computing kpt #: 155 total cpu time spent up to now is 586.6 secs Computing kpt #: 156 total cpu time spent up to now is 590.2 secs Computing kpt #: 157 total cpu time spent up to now is 593.6 secs Computing kpt #: 158 total cpu time spent up to now is 597.0 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 602.0 secs Computing kpt #: 160 total cpu time spent up to now is 604.3 secs Computing kpt #: 161 total cpu time spent up to now is 606.4 secs Computing kpt #: 162 total cpu time spent up to now is 609.2 secs Computing kpt #: 163 total cpu time spent up to now is 611.9 secs Computing kpt #: 164 total cpu time spent up to now is 614.4 secs Computing kpt #: 165 total cpu time spent up to now is 617.0 secs Computing kpt #: 166 total cpu time spent up to now is 619.5 secs Computing kpt #: 167 total cpu time spent up to now is 622.1 secs Computing kpt #: 168 total cpu time spent up to now is 624.7 secs Computing kpt #: 169 total cpu time spent up to now is 627.1 secs Computing kpt #: 170 total cpu time spent up to now is 629.6 secs Computing kpt #: 171 total cpu time spent up to now is 632.3 secs Computing kpt #: 172 total cpu time spent up to now is 635.1 secs Computing kpt #: 173 total cpu time spent up to now is 637.9 secs Computing kpt #: 174 total cpu time spent up to now is 640.7 secs Computing kpt #: 175 total cpu time spent up to now is 643.4 secs Computing kpt #: 176 total cpu time spent up to now is 646.7 secs Computing kpt #: 177 total cpu time spent up to now is 650.6 secs Computing kpt #: 178 total cpu time spent up to now is 653.5 secs Computing kpt #: 179 total cpu time spent up to now is 656.1 secs Computing kpt #: 180 total cpu time spent up to now is 658.8 secs Computing kpt #: 181 total cpu time spent up to now is 661.1 secs Computing kpt #: 182 total cpu time spent up to now is 663.7 secs Computing kpt #: 183 total cpu time spent up to now is 666.5 secs Computing kpt #: 184 total cpu time spent up to now is 671.2 secs Computing kpt #: 185 total cpu time spent up to now is 674.9 secs Computing kpt #: 186 total cpu time spent up to now is 678.3 secs Computing kpt #: 187 total cpu time spent up to now is 681.7 secs Computing kpt #: 188 total cpu time spent up to now is 684.9 secs Computing kpt #: 189 total cpu time spent up to now is 687.6 secs Computing kpt #: 190 total cpu time spent up to now is 690.0 secs Computing kpt #: 191 total cpu time spent up to now is 692.5 secs Computing kpt #: 192 total cpu time spent up to now is 695.0 secs Computing kpt #: 193 total cpu time spent up to now is 697.4 secs Computing kpt #: 194 total cpu time spent up to now is 699.9 secs Computing kpt #: 195 total cpu time spent up to now is 702.3 secs Computing kpt #: 196 total cpu time spent up to now is 704.7 secs Computing kpt #: 197 total cpu time spent up to now is 707.3 secs Computing kpt #: 198 total cpu time spent up to now is 710.0 secs Computing kpt #: 199 total cpu time spent up to now is 712.5 secs Computing kpt #: 200 total cpu time spent up to now is 715.1 secs Computing kpt #: 201 total cpu time spent up to now is 717.6 secs Computing kpt #: 202 total cpu time spent up to now is 720.5 secs Computing kpt #: 203 total cpu time spent up to now is 722.9 secs Computing kpt #: 204 total cpu time spent up to now is 725.4 secs Computing kpt #: 205 total cpu time spent up to now is 728.1 secs Computing kpt #: 206 total cpu time spent up to now is 730.5 secs Computing kpt #: 207 total cpu time spent up to now is 733.2 secs Computing kpt #: 208 total cpu time spent up to now is 735.7 secs Computing kpt #: 209 total cpu time spent up to now is 738.3 secs Computing kpt #: 210 total cpu time spent up to now is 740.9 secs Computing kpt #: 211 total cpu time spent up to now is 743.4 secs Computing kpt #: 212 total cpu time spent up to now is 746.0 secs Computing kpt #: 213 total cpu time spent up to now is 748.6 secs Computing kpt #: 214 total cpu time spent up to now is 751.2 secs Computing kpt #: 215 total cpu time spent up to now is 753.8 secs Computing kpt #: 216 total cpu time spent up to now is 756.3 secs Computing kpt #: 217 total cpu time spent up to now is 758.8 secs Computing kpt #: 218 total cpu time spent up to now is 761.4 secs Computing kpt #: 219 total cpu time spent up to now is 764.0 secs Computing kpt #: 220 total cpu time spent up to now is 766.6 secs Computing kpt #: 221 total cpu time spent up to now is 769.2 secs Computing kpt #: 222 total cpu time spent up to now is 771.7 secs Computing kpt #: 223 total cpu time spent up to now is 774.4 secs Computing kpt #: 224 total cpu time spent up to now is 777.0 secs Computing kpt #: 225 total cpu time spent up to now is 779.5 secs Computing kpt #: 226 total cpu time spent up to now is 782.2 secs Computing kpt #: 227 total cpu time spent up to now is 784.8 secs Computing kpt #: 228 total cpu time spent up to now is 787.4 secs Computing kpt #: 229 total cpu time spent up to now is 790.0 secs Computing kpt #: 230 total cpu time spent up to now is 792.6 secs Computing kpt #: 231 total cpu time spent up to now is 795.1 secs Computing kpt #: 232 total cpu time spent up to now is 797.6 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 803.0 secs Computing kpt #: 235 total cpu time spent up to now is 805.6 secs Computing kpt #: 236 total cpu time spent up to now is 808.4 secs Computing kpt #: 237 total cpu time spent up to now is 811.1 secs Computing kpt #: 238 total cpu time spent up to now is 814.0 secs Computing kpt #: 239 total cpu time spent up to now is 817.0 secs Computing kpt #: 240 total cpu time spent up to now is 820.6 secs Computing kpt #: 241 total cpu time spent up to now is 824.0 secs Computing kpt #: 242 total cpu time spent up to now is 827.6 secs Computing kpt #: 243 total cpu time spent up to now is 830.6 secs Computing kpt #: 244 total cpu time spent up to now is 833.5 secs Computing kpt #: 245 total cpu time spent up to now is 836.5 secs Computing kpt #: 246 total cpu time spent up to now is 839.6 secs Computing kpt #: 247 total cpu time spent up to now is 842.9 secs Computing kpt #: 248 total cpu time spent up to now is 846.8 secs Computing kpt #: 249 total cpu time spent up to now is 850.5 secs Computing kpt #: 250 total cpu time spent up to now is 853.5 secs Computing kpt #: 251 total cpu time spent up to now is 856.7 secs Computing kpt #: 252 total cpu time spent up to now is 859.8 secs Computing kpt #: 253 total cpu time spent up to now is 862.5 secs Computing kpt #: 254 total cpu time spent up to now is 865.2 secs Computing kpt #: 255 total cpu time spent up to now is 868.3 secs Computing kpt #: 256 total cpu time spent up to now is 871.0 secs Computing kpt #: 257 total cpu time spent up to now is 873.5 secs Computing kpt #: 258 total cpu time spent up to now is 875.9 secs Computing kpt #: 259 total cpu time spent up to now is 878.4 secs Computing kpt #: 260 total cpu time spent up to now is 880.9 secs Computing kpt #: 261 total cpu time spent up to now is 884.4 secs Computing kpt #: 262 total cpu time spent up to now is 887.7 secs Computing kpt #: 263 total cpu time spent up to now is 890.2 secs Computing kpt #: 264 total cpu time spent up to now is 892.6 secs Computing kpt #: 265 total cpu time spent up to now is 894.9 secs Computing kpt #: 266 total cpu time spent up to now is 897.2 secs Computing kpt #: 267 total cpu time spent up to now is 899.5 secs Computing kpt #: 268 total cpu time spent up to now is 901.8 secs Computing kpt #: 269 total cpu time spent up to now is 904.0 secs Computing kpt #: 270 total cpu time spent up to now is 906.4 secs Computing kpt #: 271 total cpu time spent up to now is 908.8 secs Computing kpt #: 272 total cpu time spent up to now is 911.2 secs Computing kpt #: 273 total cpu time spent up to now is 913.6 secs Computing kpt #: 274 total cpu time spent up to now is 915.9 secs Computing kpt #: 275 total cpu time spent up to now is 918.2 secs Computing kpt #: 276 total cpu time spent up to now is 920.6 secs Computing kpt #: 277 total cpu time spent up to now is 923.0 secs Computing kpt #: 278 total cpu time spent up to now is 925.4 secs Computing kpt #: 279 total cpu time spent up to now is 927.8 secs Computing kpt #: 280 total cpu time spent up to now is 930.4 secs Computing kpt #: 281 total cpu time spent up to now is 933.2 secs Computing kpt #: 282 total cpu time spent up to now is 936.2 secs Computing kpt #: 283 total cpu time spent up to now is 939.3 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 944.5 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 949.5 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 954.8 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 959.7 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 964.7 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 969.7 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 974.5 secs Computing kpt #: 291 total cpu time spent up to now is 976.8 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 981.7 secs Computing kpt #: 293 total cpu time spent up to now is 985.2 secs Computing kpt #: 294 total cpu time spent up to now is 988.6 secs Computing kpt #: 295 total cpu time spent up to now is 990.9 secs Computing kpt #: 296 total cpu time spent up to now is 994.0 secs Computing kpt #: 297 total cpu time spent up to now is 996.3 secs Computing kpt #: 298 total cpu time spent up to now is 998.6 secs Computing kpt #: 299 total cpu time spent up to now is 1001.0 secs Computing kpt #: 300 total cpu time spent up to now is 1003.3 secs Computing kpt #: 301 total cpu time spent up to now is 1005.5 secs Computing kpt #: 302 total cpu time spent up to now is 1007.7 secs Computing kpt #: 303 total cpu time spent up to now is 1009.9 secs Computing kpt #: 304 total cpu time spent up to now is 1012.1 secs Computing kpt #: 305 total cpu time spent up to now is 1014.7 secs Computing kpt #: 306 total cpu time spent up to now is 1017.2 secs Computing kpt #: 307 total cpu time spent up to now is 1019.8 secs Computing kpt #: 308 total cpu time spent up to now is 1022.6 secs Computing kpt #: 309 total cpu time spent up to now is 1025.0 secs Computing kpt #: 310 total cpu time spent up to now is 1027.5 secs Computing kpt #: 311 total cpu time spent up to now is 1030.1 secs Computing kpt #: 312 total cpu time spent up to now is 1032.5 secs Computing kpt #: 313 total cpu time spent up to now is 1034.9 secs Computing kpt #: 314 total cpu time spent up to now is 1037.2 secs Computing kpt #: 315 total cpu time spent up to now is 1039.5 secs Computing kpt #: 316 total cpu time spent up to now is 1041.8 secs Computing kpt #: 317 total cpu time spent up to now is 1044.0 secs Computing kpt #: 318 total cpu time spent up to now is 1046.3 secs Computing kpt #: 319 total cpu time spent up to now is 1048.6 secs Computing kpt #: 320 total cpu time spent up to now is 1050.9 secs Computing kpt #: 321 total cpu time spent up to now is 1053.7 secs Computing kpt #: 322 total cpu time spent up to now is 1056.6 secs Computing kpt #: 323 total cpu time spent up to now is 1059.8 secs Computing kpt #: 324 total cpu time spent up to now is 1062.9 secs Computing kpt #: 325 total cpu time spent up to now is 1065.9 secs Computing kpt #: 326 total cpu time spent up to now is 1068.4 secs Computing kpt #: 327 total cpu time spent up to now is 1071.1 secs Computing kpt #: 328 total cpu time spent up to now is 1073.7 secs Computing kpt #: 329 total cpu time spent up to now is 1076.1 secs Computing kpt #: 330 total cpu time spent up to now is 1079.0 secs Computing kpt #: 331 total cpu time spent up to now is 1082.0 secs Computing kpt #: 332 total cpu time spent up to now is 1084.6 secs Computing kpt #: 333 total cpu time spent up to now is 1087.1 secs Computing kpt #: 334 total cpu time spent up to now is 1089.7 secs Computing kpt #: 335 total cpu time spent up to now is 1092.3 secs Computing kpt #: 336 total cpu time spent up to now is 1094.8 secs Computing kpt #: 337 total cpu time spent up to now is 1097.3 secs Computing kpt #: 338 total cpu time spent up to now is 1099.6 secs Computing kpt #: 339 total cpu time spent up to now is 1102.9 secs Computing kpt #: 340 total cpu time spent up to now is 1106.4 secs Computing kpt #: 341 total cpu time spent up to now is 1109.8 secs Computing kpt #: 342 total cpu time spent up to now is 1114.2 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1119.0 secs Computing kpt #: 344 total cpu time spent up to now is 1122.0 secs Computing kpt #: 345 total cpu time spent up to now is 1126.5 secs Computing kpt #: 346 total cpu time spent up to now is 1130.8 secs Computing kpt #: 347 total cpu time spent up to now is 1133.9 secs Computing kpt #: 348 total cpu time spent up to now is 1137.2 secs Computing kpt #: 349 total cpu time spent up to now is 1140.4 secs Computing kpt #: 350 total cpu time spent up to now is 1143.9 secs Computing kpt #: 351 total cpu time spent up to now is 1147.4 secs Computing kpt #: 352 total cpu time spent up to now is 1150.7 secs Computing kpt #: 353 total cpu time spent up to now is 1153.9 secs Computing kpt #: 354 total cpu time spent up to now is 1157.1 secs Computing kpt #: 355 total cpu time spent up to now is 1160.5 secs Computing kpt #: 356 total cpu time spent up to now is 1164.0 secs Computing kpt #: 357 total cpu time spent up to now is 1167.2 secs Computing kpt #: 358 total cpu time spent up to now is 1170.6 secs Computing kpt #: 359 total cpu time spent up to now is 1174.1 secs Computing kpt #: 360 total cpu time spent up to now is 1177.6 secs Computing kpt #: 361 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1183.1 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1188.3 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1193.2 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1198.0 secs Computing kpt #: 365 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1203.2 secs Computing kpt #: 366 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1208.1 secs Computing kpt #: 367 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1212.9 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1217.7 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1222.8 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1227.7 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1232.5 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1237.3 secs Computing kpt #: 373 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1242.2 secs Computing kpt #: 374 total cpu time spent up to now is 1244.3 secs ethr = 2.08E-11, avg # of iterations = 56.1 total cpu time spent up to now is 1244.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4263 PWs) bands (ev): -13.8535 -13.8535 -13.3029 -13.3029 -10.6660 -10.6660 -8.8957 -8.8957 -8.7058 -8.7058 -8.6451 -8.6451 -3.5222 -3.5222 -3.1765 -3.1765 -2.6923 -2.6923 -0.5273 -0.5273 0.0454 0.0454 0.0645 0.0645 0.4719 0.4719 1.2616 1.2616 1.5508 1.5508 2.2975 2.2975 2.5729 2.5729 3.4783 3.4783 3.6194 3.6194 3.9941 3.9941 4.0205 4.0205 4.6079 4.6079 4.9700 4.9700 5.7870 5.7870 11.0844 11.0844 12.4275 12.4275 12.5564 12.5564 13.3534 13.3534 13.9209 13.9209 k = 0.0086 0.0140-0.0000 ( 4255 PWs) bands (ev): -13.8532 -13.8532 -13.3029 -13.3029 -10.6654 -10.6653 -8.9134 -8.9108 -8.6930 -8.6898 -8.6448 -8.6445 -3.5257 -3.5256 -3.1710 -3.1704 -2.6914 -2.6912 -0.5276 -0.5270 0.0444 0.0448 0.0652 0.0653 0.4676 0.4688 1.2668 1.2687 1.5495 1.5503 2.2954 2.2966 2.5730 2.5731 3.4757 3.4762 3.6198 3.6198 3.9890 3.9960 4.0155 4.0224 4.6082 4.6083 4.9690 4.9694 5.7859 5.7862 11.0873 11.0873 12.4277 12.4280 12.5583 12.5587 13.3529 13.3541 13.9212 13.9230 k = 0.0173 0.0279-0.0000 ( 4259 PWs) bands (ev): -13.8523 -13.8523 -13.3030 -13.3030 -10.6634 -10.6634 -8.9536 -8.9499 -8.6603 -8.6553 -8.6434 -8.6430 -3.5354 -3.5352 -3.1545 -3.1535 -2.6886 -2.6882 -0.5280 -0.5267 0.0418 0.0425 0.0671 0.0674 0.4564 0.4588 1.2839 1.2877 1.5464 1.5479 2.2906 2.2930 2.5733 2.5737 3.4682 3.4693 3.6208 3.6208 3.9805 3.9939 4.0082 4.0215 4.6090 4.6092 4.9664 4.9671 5.7829 5.7836 11.0959 11.0960 12.4287 12.4294 12.5644 12.5653 13.3528 13.3552 13.9237 13.9273 k = 0.0259 0.0419-0.0000 ( 4257 PWs) bands (ev): -13.8509 -13.8509 -13.3032 -13.3032 -10.6601 -10.6601 -9.0046 -9.0005 -8.6418 -8.6407 -8.6193 -8.6138 -3.5494 -3.5491 -3.1290 -3.1275 -2.6838 -2.6832 -0.5286 -0.5267 0.0374 0.0386 0.0702 0.0707 0.4401 0.4433 1.3118 1.3171 1.5415 1.5438 2.2829 2.2865 2.5739 2.5745 3.4563 3.4579 3.6224 3.6224 3.9678 3.9842 4.0022 4.0185 4.6105 4.6108 4.9620 4.9630 5.7782 5.7793 11.1102 11.1103 12.4304 12.4315 12.5746 12.5760 13.3534 13.3568 13.9276 13.9328 k = 0.0346 0.0559-0.0000 ( 4253 PWs) bands (ev): -13.8489 -13.8489 -13.3034 -13.3034 -10.6556 -10.6555 -9.0610 -9.0569 -8.6387 -8.6374 -8.5770 -8.5709 -3.5658 -3.5656 -3.0963 -3.0944 -2.6771 -2.6762 -0.5298 -0.5272 0.0314 0.0329 0.0743 0.0749 0.4208 0.4247 1.3486 1.3552 1.5348 1.5378 2.2725 2.2772 2.5746 2.5755 3.4403 3.4424 3.6248 3.6248 3.9502 3.9665 3.9980 4.0141 4.6126 4.6130 4.9559 4.9572 5.7718 5.7733 11.1301 11.1302 12.4328 12.4343 12.5887 12.5906 13.3547 13.3591 13.9316 13.9381 k = 0.0432 0.0699-0.0000 ( 4251 PWs) bands (ev): -13.8463 -13.8463 -13.3037 -13.3037 -10.6497 -10.6496 -9.1207 -9.1167 -8.6349 -8.6332 -8.5352 -8.5287 -3.5829 -3.5828 -3.0583 -3.0561 -2.6684 -2.6673 -0.5321 -0.5287 0.0236 0.0255 0.0791 0.0799 0.4012 0.4054 1.3925 1.4002 1.5263 1.5300 2.2594 2.2650 2.5752 2.5765 3.4205 3.4232 3.6278 3.6279 3.9276 3.9427 3.9935 4.0085 4.6152 4.6158 4.9479 4.9494 5.7640 5.7658 11.1554 11.1556 12.4359 12.4377 12.6064 12.6088 13.3574 13.3626 13.9339 13.9415 k = 0.0518 0.0838-0.0000 ( 4255 PWs) bands (ev): -13.8432 -13.8432 -13.3041 -13.3041 -10.6425 -10.6424 -9.1824 -9.1786 -8.6302 -8.6282 -8.4951 -8.4883 -3.5997 -3.5996 -3.0161 -3.0137 -2.6578 -2.6565 -0.5358 -0.5317 0.0141 0.0164 0.0842 0.0851 0.3837 0.3880 1.4420 1.4506 1.5159 1.5203 2.2436 2.2501 2.5756 2.5774 3.3976 3.4008 3.6316 3.6317 3.8997 3.9136 3.9882 4.0021 4.6186 4.6192 4.9379 4.9396 5.7549 5.7571 11.1859 11.1861 12.4395 12.4417 12.6274 12.6302 13.3618 13.3676 13.9328 13.9410 k = 0.0605 0.0978-0.0000 ( 4251 PWs) bands (ev): -13.8396 -13.8396 -13.3045 -13.3045 -10.6340 -10.6338 -9.2458 -9.2421 -8.6246 -8.6223 -8.4573 -8.4501 -3.6152 -3.6150 -2.9709 -2.9683 -2.6452 -2.6437 -0.5417 -0.5368 0.0028 0.0054 0.0892 0.0902 0.3705 0.3748 1.4956 1.5019 1.5067 1.5088 2.2251 2.2324 2.5758 2.5781 3.3721 3.3759 3.6363 3.6364 3.8666 3.8794 3.9819 3.9947 4.6225 4.6232 4.9257 4.9276 5.7448 5.7473 11.2214 11.2216 12.4435 12.4461 12.6513 12.6546 13.3682 13.3745 13.9268 13.9353 k = 0.0691 0.1118-0.0000 ( 4243 PWs) bands (ev): -13.8355 -13.8354 -13.3050 -13.3050 -10.6242 -10.6239 -9.3102 -9.3068 -8.6182 -8.6156 -8.4221 -8.4146 -3.6289 -3.6286 -2.9232 -2.9205 -2.6307 -2.6290 -0.5503 -0.5447 -0.0104 -0.0074 0.0938 0.0950 0.3635 0.3677 1.4894 1.4952 1.5524 1.5624 2.2039 2.2120 2.5755 2.5784 3.3448 3.3491 3.6417 3.6419 3.8285 3.8404 3.9745 3.9866 4.6271 4.6279 4.9111 4.9132 5.7338 5.7367 11.2616 11.2619 12.4478 12.4508 12.6777 12.6815 13.3772 13.3839 13.9154 13.9239 k = 0.0778 0.1258-0.0000 ( 4243 PWs) bands (ev): -13.8308 -13.8307 -13.3055 -13.3055 -10.6130 -10.6128 -9.3755 -9.3722 -8.6111 -8.6081 -8.3897 -8.3820 -3.6404 -3.6399 -2.8737 -2.8708 -2.6142 -2.6123 -0.5622 -0.5558 -0.0256 -0.0221 0.0983 0.0996 0.3639 0.3680 1.4733 1.4797 1.6111 1.6216 2.1800 2.1887 2.5745 2.5781 3.3162 3.3210 3.6480 3.6483 3.7858 3.7969 3.9661 3.9776 4.6323 4.6332 4.8941 4.8964 5.7222 5.7254 11.3062 11.3065 12.4524 12.4558 12.7064 12.7106 13.3890 13.3959 13.8990 13.9072 k = 0.0864 0.1397-0.0000 ( 4247 PWs) bands (ev): -13.8257 -13.8256 -13.3062 -13.3061 -10.6005 -10.6002 -9.4414 -9.4383 -8.6031 -8.5999 -8.3604 -8.3524 -3.6495 -3.6488 -2.8228 -2.8198 -2.5959 -2.5938 -0.5777 -0.5706 -0.0427 -0.0389 0.1032 0.1044 0.3722 0.3762 1.4553 1.4623 1.6713 1.6821 2.1533 2.1626 2.5729 2.5772 3.2870 3.2924 3.6551 3.6557 3.7390 3.7491 3.9567 3.9677 4.6382 4.6392 4.8746 4.8769 5.7101 5.7136 11.3549 11.3553 12.4570 12.4608 12.7369 12.7416 13.4040 13.4109 13.8787 13.8864 k = 0.0950 0.1537-0.0000 ( 4251 PWs) bands (ev): -13.8200 -13.8200 -13.3068 -13.3068 -10.5867 -10.5864 -9.5077 -9.5048 -8.5944 -8.5908 -8.3342 -8.3260 -3.6560 -3.6551 -2.7708 -2.7677 -2.5756 -2.5733 -0.5970 -0.5893 -0.0619 -0.0577 0.1092 0.1105 0.3882 0.3921 1.4352 1.4427 1.7322 1.7434 2.1239 2.1337 2.5704 2.5756 3.2578 3.2637 3.6618 3.6638 3.6897 3.6978 3.9464 3.9569 4.6448 4.6459 4.8523 4.8547 5.6976 5.7014 11.4074 11.4079 12.4615 12.4657 12.7692 12.7742 13.4224 13.4292 13.8557 13.8630 k = 0.1037 0.1677-0.0000 ( 4243 PWs) bands (ev): -13.8140 -13.8139 -13.3075 -13.3075 -10.5715 -10.5712 -9.5743 -9.5715 -8.5850 -8.5811 -8.3112 -8.3029 -3.6598 -3.6588 -2.7181 -2.7149 -2.5535 -2.5509 -0.6200 -0.6117 -0.0832 -0.0787 0.1174 0.1186 0.4113 0.4153 1.4130 1.4211 1.7933 1.8048 2.0919 2.1021 2.5671 2.5732 3.2290 3.2355 3.6310 3.6418 3.6745 3.6757 3.9350 3.9452 4.6521 4.6532 4.8273 4.8297 5.6847 5.6889 11.4633 11.4639 12.4658 12.4704 12.8029 12.8083 13.4440 13.4506 13.8313 13.8381 k = 0.1123 0.1816-0.0000 ( 4231 PWs) bands (ev): -13.8075 -13.8074 -13.3083 -13.3083 -10.5550 -10.5547 -9.6408 -9.6383 -8.5748 -8.5707 -8.2914 -8.2829 -3.6610 -3.6599 -2.6648 -2.6616 -2.5294 -2.5267 -0.6463 -0.6376 -0.1069 -0.1019 0.1283 0.1294 0.4408 0.4448 1.3887 1.3973 1.8543 1.8661 2.0572 2.0677 2.5629 2.5698 3.2011 3.2081 3.5746 3.5845 3.6850 3.6856 3.9228 3.9328 4.6600 4.6613 4.7997 4.8021 5.6716 5.6760 11.5223 11.5231 12.4697 12.4747 12.8380 12.8438 13.4688 13.4750 13.8067 13.8129 k = 0.1209 0.1956-0.0000 ( 4227 PWs) bands (ev): -13.8006 -13.8006 -13.3091 -13.3091 -10.5372 -10.5368 -9.7074 -9.7049 -8.5641 -8.5597 -8.2749 -8.2662 -3.6597 -3.6584 -2.6113 -2.6080 -2.5035 -2.5006 -0.6754 -0.6664 -0.1328 -0.1275 0.1423 0.1434 0.4760 0.4802 1.3621 1.3712 1.9147 1.9267 2.0200 2.0308 2.5577 2.5655 3.1743 3.1817 3.5154 3.5248 3.6971 3.6976 3.9096 3.9194 4.6687 4.6701 4.7693 4.7717 5.6581 5.6628 11.5840 11.5849 12.4731 12.4785 12.8743 12.8805 13.4963 13.5021 13.7829 13.7885 k = 0.1296 0.2096-0.0000 ( 4231 PWs) bands (ev): -13.7934 -13.7933 -13.3099 -13.3099 -10.5180 -10.5176 -9.7736 -9.7714 -8.5527 -8.5480 -8.2615 -8.2527 -3.6559 -3.6546 -2.5577 -2.5544 -2.4758 -2.4726 -0.7067 -0.6974 -0.1611 -0.1554 0.1595 0.1606 0.5165 0.5208 1.3333 1.3427 1.9741 1.9806 1.9865 1.9916 2.5516 2.5604 3.1485 3.1564 3.4547 3.4637 3.7107 3.7112 3.8956 3.9053 4.6782 4.6796 4.7365 4.7388 5.6442 5.6491 11.6482 11.6492 12.4759 12.4818 12.9119 12.9185 13.5259 13.5310 13.7611 13.7662 k = 0.1382 0.2236-0.0000 ( 4233 PWs) bands (ev): -13.7858 -13.7857 -13.3108 -13.3108 -10.4975 -10.4970 -9.8396 -9.8375 -8.5409 -8.5358 -8.2512 -8.2423 -3.6499 -3.6485 -2.5043 -2.5010 -2.4462 -2.4428 -0.7395 -0.7300 -0.1919 -0.1859 0.1798 0.1810 0.5617 0.5662 1.3019 1.3118 1.9388 1.9502 2.0328 2.0452 2.5447 2.5543 3.1235 3.1318 3.3937 3.4025 3.7258 3.7262 3.8808 3.8903 4.6883 4.6898 4.7012 4.7034 5.6298 5.6350 11.7144 11.7156 12.4781 12.4844 12.9506 12.9575 13.5560 13.5602 13.7433 13.7476 k = 0.1469 0.2375-0.0000 ( 4233 PWs) bands (ev): -13.7779 -13.7778 -13.3117 -13.3117 -10.4756 -10.4750 -9.9051 -9.9031 -8.5285 -8.5231 -8.2439 -8.2349 -3.6419 -3.6404 -2.4512 -2.4480 -2.4147 -2.4111 -0.7731 -0.7635 -0.2253 -0.2189 0.2030 0.2043 0.6112 0.6160 1.2680 1.2782 1.8954 1.9071 2.0900 2.1025 2.5370 2.5474 3.0984 3.1070 3.3337 3.3424 3.7425 3.7430 3.8652 3.8746 4.6635 4.6657 4.6993 4.7009 5.6149 5.6203 11.7823 11.7837 12.4796 12.4863 12.9901 12.9974 13.5839 13.5869 13.7326 13.7357 k = 0.1555 0.2515-0.0000 ( 4235 PWs) bands (ev): -13.7698 -13.7697 -13.3126 -13.3126 -10.4523 -10.4517 -9.9700 -9.9681 -8.5156 -8.5100 -8.2394 -8.2305 -3.6320 -3.6305 -2.3986 -2.3954 -2.3815 -2.3777 -0.8069 -0.7972 -0.2612 -0.2545 0.2289 0.2303 0.6647 0.6698 1.2314 1.2420 1.8506 1.8625 2.1455 2.1582 2.5286 2.5398 3.0719 3.0806 3.2768 3.2854 3.7608 3.7614 3.8488 3.8582 4.6238 4.6260 4.7111 4.7127 5.5993 5.6049 11.8517 11.8532 12.4804 12.4875 13.0301 13.0377 13.6055 13.6067 13.7338 13.7352 k = 0.1641 0.2655-0.0000 ( 4235 PWs) bands (ev): -13.7614 -13.7613 -13.3136 -13.3136 -10.4277 -10.4271 -10.0342 -10.0325 -8.5024 -8.4965 -8.2377 -8.2287 -3.6206 -3.6190 -2.3471 -2.3462 -2.3442 -2.3419 -0.8403 -0.8307 -0.2998 -0.2927 0.2573 0.2588 0.7220 0.7273 1.1920 1.2028 1.8048 1.8169 2.1994 2.2123 2.5197 2.5316 3.0415 3.0502 3.2257 3.2345 3.7806 3.7815 3.8321 3.8412 4.5821 4.5842 4.7237 4.7253 5.5829 5.5886 11.9222 11.9239 12.4805 12.4880 13.0696 13.0777 13.6167 13.6171 13.7501 13.7503 k = 0.1728 0.2795-0.0000 ( 4235 PWs) bands (ev): -13.7527 -13.7526 -13.3145 -13.3145 -10.4017 -10.4011 -10.0977 -10.0961 -8.4889 -8.4827 -8.2386 -8.2296 -3.6080 -3.6064 -2.3098 -2.3057 -2.2956 -2.2924 -0.8729 -0.8632 -0.3409 -0.3335 0.2878 0.2895 0.7826 0.7882 1.1495 1.1606 1.7585 1.7707 2.2515 2.2644 2.5104 2.5229 3.0046 3.0131 3.1834 3.1925 3.8000 3.8029 3.8168 3.8241 4.5387 4.5407 4.7371 4.7387 5.5656 5.5715 11.9936 11.9955 12.4799 12.4878 13.1075 13.1159 13.6210 13.6222 13.7779 13.7789 k = 0.1814 0.2934-0.0000 ( 4227 PWs) bands (ev): -13.7439 -13.7438 -13.3155 -13.3155 -10.3744 -10.3737 -10.1604 -10.1589 -8.4751 -8.4687 -8.2419 -8.2330 -3.5943 -3.5927 -2.2714 -2.2670 -2.2455 -2.2424 -0.9041 -0.8945 -0.3846 -0.3769 0.3203 0.3222 0.8463 0.8523 1.1039 1.1151 1.7120 1.7243 2.3016 2.3146 2.5007 2.5137 2.9601 2.9683 3.1514 3.1609 3.7935 3.8038 3.8288 3.8288 4.4937 4.4957 4.7513 4.7530 5.5474 5.5535 12.0656 12.0677 12.4788 12.4871 13.1420 13.1508 13.6262 13.6278 13.8130 13.8141 k = 0.1901 0.3074-0.0000 ( 4231 PWs) bands (ev): -13.7350 -13.7349 -13.3165 -13.3165 -10.3457 -10.3450 -10.2221 -10.2207 -8.4612 -8.4545 -8.2475 -8.2386 -3.5800 -3.5783 -2.2312 -2.2266 -2.1965 -2.1936 -0.9336 -0.9241 -0.4308 -0.4228 0.3546 0.3567 0.9128 0.9191 1.0550 1.0663 1.6657 1.6782 2.3497 2.3629 2.4907 2.5042 2.9093 2.9173 3.1285 3.1382 3.7753 3.7855 3.8539 3.8541 4.4473 4.4492 4.7664 4.7682 5.5282 5.5344 12.1381 12.1404 12.4773 12.4860 13.1711 13.1801 13.6377 13.6393 13.8511 13.8521 k = 0.1987 0.3214-0.0000 ( 4231 PWs) bands (ev): -13.7259 -13.7258 -13.3174 -13.3174 -10.3158 -10.3149 -10.2827 -10.2815 -8.4472 -8.4403 -8.2551 -8.2463 -3.5652 -3.5636 -2.1894 -2.1846 -2.1488 -2.1459 -0.9609 -0.9515 -0.4794 -0.4712 0.3905 0.3928 0.9818 0.9884 1.0026 1.0141 1.6201 1.6328 2.3958 2.4091 2.4806 2.4944 2.8550 2.8629 3.1121 3.1221 3.7562 3.7663 3.8815 3.8819 4.3997 4.4015 4.7824 4.7842 5.5080 5.5143 12.2110 12.2134 12.4754 12.4845 13.1926 13.2017 13.6588 13.6605 13.8900 13.8907 k = 0.2073 0.3353-0.0000 ( 4227 PWs) bands (ev): -13.7168 -13.7167 -13.3184 -13.3183 -10.3424 -10.3412 -10.2844 -10.2835 -8.4332 -8.4261 -8.2646 -8.2559 -3.5503 -3.5488 -2.1459 -2.1410 -2.1024 -2.0997 -0.9859 -0.9766 -0.5302 -0.5218 0.4278 0.4302 0.9467 0.9582 1.0530 1.0599 1.5755 1.5883 2.4398 2.4533 2.4704 2.4844 2.7996 2.8073 3.1002 3.1102 3.7365 3.7467 3.9111 3.9117 4.3510 4.3527 4.7993 4.8011 5.4867 5.4931 12.2839 12.2866 12.4733 12.4829 13.2056 13.2144 13.6911 13.6930 13.9282 13.9287 k = 0.2160 0.3493-0.0000 ( 4225 PWs) bands (ev): -13.7076 -13.7075 -13.3193 -13.3193 -10.4009 -10.3998 -10.2517 -10.2507 -8.4193 -8.4119 -8.2758 -8.2672 -3.5356 -3.5341 -2.1009 -2.0957 -2.0576 -2.0550 -1.0082 -0.9991 -0.5831 -0.5744 0.4663 0.4689 0.8873 0.8987 1.1261 1.1333 1.5322 1.5450 2.4593 2.4740 2.4825 2.4956 2.7447 2.7525 3.0911 3.1012 3.7165 3.7267 3.9428 3.9434 4.3015 4.3030 4.8171 4.8189 5.4644 5.4709 12.3569 12.3598 12.4712 12.4812 13.2100 13.2186 13.7344 13.7366 13.9646 13.9649 k = 0.2246 0.3633-0.0000 ( 4229 PWs) bands (ev): -13.6985 -13.6984 -13.3201 -13.3201 -10.4581 -10.4571 -10.2177 -10.2167 -8.4056 -8.3980 -8.2885 -8.2800 -3.5214 -3.5199 -2.0544 -2.0490 -2.0143 -2.0119 -1.0276 -1.0186 -0.6377 -0.6289 0.5057 0.5086 0.8244 0.8356 1.2008 1.2083 1.4902 1.5031 2.4485 2.4632 2.5227 2.5360 2.6916 2.6995 3.0839 3.0939 3.6963 3.7066 3.9763 3.9771 4.2512 4.2527 4.8357 4.8376 5.4410 5.4476 12.4298 12.4329 12.4692 12.4796 13.2072 13.2153 13.7873 13.7898 13.9982 13.9986 k = 0.2333 0.3773-0.0000 ( 4233 PWs) bands (ev): -13.6893 -13.6892 -13.3210 -13.3210 -10.5141 -10.5132 -10.1824 -10.1814 -8.3922 -8.3844 -8.3025 -8.2941 -3.5077 -3.5063 -2.0063 -2.0008 -1.9728 -1.9706 -1.0440 -1.0352 -0.6939 -0.6849 0.5459 0.5491 0.7580 0.7691 1.2768 1.2846 1.4498 1.4627 2.4368 2.4515 2.5613 2.5746 2.6415 2.6493 3.0779 3.0878 3.6760 3.6864 4.0117 4.0126 4.2004 4.2017 4.8553 4.8572 5.4167 5.4233 12.4673 12.4781 12.5027 12.5060 13.1986 13.2062 13.8477 13.8507 14.0213 14.0290 k = 0.2419 0.3912-0.0000 ( 4233 PWs) bands (ev): -13.6803 -13.6802 -13.3218 -13.3218 -10.5687 -10.5679 -10.1459 -10.1447 -8.3792 -8.3712 -8.3176 -8.3094 -3.4950 -3.4936 -1.9569 -1.9511 -1.9331 -1.9310 -1.0572 -1.0486 -0.7512 -0.7421 0.5867 0.5901 0.6884 0.6992 1.3537 1.3618 1.4108 1.4238 2.4239 2.4384 2.5947 2.5976 2.6038 2.6124 3.0726 3.0823 3.6558 3.6663 4.0488 4.0499 4.1492 4.1504 4.8757 4.8777 5.3915 5.3982 12.4659 12.4771 12.5750 12.5785 13.1857 13.1929 13.9136 13.9169 13.9909 14.0018 k = 0.2505 0.4052-0.0000 ( 4233 PWs) bands (ev): -13.6713 -13.6712 -13.3225 -13.3225 -10.6220 -10.6212 -10.1081 -10.1068 -8.3667 -8.3585 -8.3337 -8.3257 -3.4833 -3.4819 -1.9062 -1.9002 -1.8950 -1.8932 -1.0671 -1.0587 -0.8094 -0.8002 0.6157 0.6262 0.6278 0.6314 1.3733 1.3861 1.4316 1.4398 2.4090 2.4228 2.5544 2.5617 2.6340 2.6476 3.0674 3.0770 3.6357 3.6464 4.0876 4.0885 4.0979 4.0992 4.8970 4.8991 5.3654 5.3721 12.4649 12.4765 12.6468 12.6506 13.1697 13.1766 13.9502 13.9603 13.9831 13.9867 k = 0.2592 0.4192-0.0000 ( 4229 PWs) bands (ev): -13.6625 -13.6624 -13.3232 -13.3231 -10.6739 -10.6732 -10.0691 -10.0677 -8.3548 -8.3507 -8.3465 -8.3428 -3.4728 -3.4715 -1.8598 -1.8575 -1.8534 -1.8478 -1.0738 -1.0656 -0.8680 -0.8587 0.5402 0.5504 0.6690 0.6728 1.3372 1.3500 1.5095 1.5181 2.3910 2.4034 2.5208 2.5269 2.6684 2.6820 3.0621 3.0714 3.6161 3.6269 4.0464 4.0471 4.1282 4.1296 4.9191 4.9213 5.3386 5.3453 12.4644 12.4764 12.7178 12.7219 13.1518 13.1584 13.9032 13.9128 14.0517 14.0563 k = 0.2678 0.4332-0.0000 ( 4229 PWs) bands (ev): -13.6538 -13.6537 -13.3237 -13.3237 -10.7242 -10.7236 -10.0288 -10.0274 -8.3682 -8.3606 -8.3438 -8.3353 -3.4636 -3.4623 -1.8253 -1.8235 -1.8006 -1.7945 -1.0773 -1.0693 -0.9265 -0.9172 0.4622 0.4721 0.7100 0.7140 1.3021 1.3149 1.5876 1.5965 2.3693 2.3794 2.4950 2.4991 2.7017 2.7154 3.0564 3.0653 3.5969 3.6078 3.9951 3.9956 4.1703 4.1718 4.9421 4.9443 5.3111 5.3178 12.4645 12.4768 12.7874 12.7918 13.1328 13.1393 13.8509 13.8601 14.0987 14.1019 k = 0.2765 0.4471-0.0000 ( 4223 PWs) bands (ev): -13.6453 -13.6452 -13.3242 -13.3242 -10.7731 -10.7725 -9.9875 -9.9859 -8.3862 -8.3788 -8.3335 -8.3250 -3.4558 -3.4546 -1.7930 -1.7914 -1.7464 -1.7403 -1.0776 -1.0698 -0.9846 -0.9753 0.3819 0.3915 0.7506 0.7547 1.2680 1.2808 1.6655 1.6747 2.3441 2.3518 2.4764 2.4784 2.7341 2.7478 3.0498 3.0583 3.5784 3.5894 3.9441 3.9443 4.2137 4.2154 4.9658 4.9681 5.2831 5.2898 12.4652 12.4780 12.8542 12.8591 13.1146 13.1209 13.7950 13.8036 14.1131 14.1149 k = 0.2851 0.4611-0.0000 ( 4227 PWs) bands (ev): -13.6371 -13.6370 -13.3246 -13.3246 -10.8204 -10.8198 -9.9450 -9.9433 -8.4046 -8.3974 -8.3244 -8.3156 -3.4494 -3.4482 -1.7625 -1.7611 -1.6916 -1.6854 -1.0753 -1.0674 -1.0412 -1.0322 0.2998 0.3090 0.7904 0.7948 1.2346 1.2474 1.7428 1.7522 2.3169 2.3224 2.4631 2.4633 2.7658 2.7795 3.0422 3.0502 3.5608 3.5718 3.8936 3.8937 4.2585 4.2604 4.9903 4.9927 5.2546 5.2613 12.4666 12.4797 12.9151 12.9201 13.1008 13.1068 13.7367 13.7448 14.1194 14.1207 k = 0.2937 0.4751-0.0000 ( 4227 PWs) bands (ev): -13.6291 -13.6290 -13.3250 -13.3250 -10.8660 -10.8656 -9.9014 -9.8996 -8.4232 -8.4162 -8.3163 -8.3075 -3.4445 -3.4433 -1.7338 -1.7325 -1.6365 -1.6303 -1.0976 -1.0872 -1.0684 -1.0621 0.2162 0.2250 0.8294 0.8339 1.2017 1.2145 1.8193 1.8289 2.2893 2.2932 2.4522 2.4532 2.7969 2.8107 3.0331 3.0406 3.5441 3.5552 3.8436 3.8441 4.3046 4.3066 5.0155 5.0179 5.2259 5.2325 12.4686 12.4820 12.9604 12.9647 13.1018 13.1067 13.6772 13.6849 14.1213 14.1223 k = 0.3024 0.4891-0.0000 ( 4221 PWs) bands (ev): -13.6214 -13.6213 -13.3252 -13.3252 -10.9101 -10.9096 -9.8568 -9.8549 -8.4419 -8.4352 -8.3095 -8.3006 -3.4410 -3.4398 -1.7067 -1.7055 -1.5820 -1.5759 -1.1493 -1.1391 -1.0608 -1.0543 0.1313 0.1397 0.8671 0.8717 1.1689 1.1817 1.8946 1.9044 2.2626 2.2653 2.4439 2.4455 2.8277 2.8414 3.0225 3.0292 3.5286 3.5397 3.7945 3.7955 4.3518 4.3540 5.0412 5.0438 5.1969 5.2034 12.4711 12.4848 12.9760 12.9777 13.1330 13.1349 13.6177 13.6250 14.1199 14.1207 k = 0.3110 0.5030-0.0000 ( 4229 PWs) bands (ev): -13.6140 -13.6139 -13.3253 -13.3253 -10.9525 -10.9521 -9.8112 -9.8092 -8.4605 -8.4540 -8.3041 -8.2951 -3.4388 -3.4377 -1.6811 -1.6801 -1.5297 -1.5238 -1.1963 -1.1859 -1.0505 -1.0442 0.0456 0.0536 0.9035 0.9082 1.1361 1.1489 1.9684 1.9784 2.2375 2.2394 2.4376 2.4394 2.8582 2.8719 3.0101 3.0159 3.5143 3.5255 3.7466 3.7482 4.4001 4.4024 5.0675 5.0702 5.1679 5.1743 12.4742 12.4881 12.9665 12.9667 13.1866 13.1870 13.5591 13.5660 14.1158 14.1164 k = 0.3197 0.5170-0.0000 ( 4233 PWs) bands (ev): -13.6070 -13.6069 -13.3253 -13.3253 -10.9932 -10.9928 -9.7647 -9.7626 -8.4790 -8.4728 -8.3002 -8.2912 -3.4379 -3.4368 -1.6570 -1.6561 -1.4838 -1.4784 -1.2340 -1.2231 -1.0381 -1.0322 -0.0406 -0.0330 0.9382 0.9430 1.1030 1.1158 2.0404 2.0506 2.2145 2.2159 2.4328 2.4345 2.8885 2.9021 2.9956 3.0006 3.5012 3.5126 3.7001 3.7024 4.4493 4.4518 5.0942 5.0970 5.1390 5.1453 12.4775 12.4916 12.9457 12.9468 13.2476 13.2492 13.5024 13.5088 14.1094 14.1099 k = 0.3283 0.5310-0.0000 ( 4235 PWs) bands (ev): -13.6002 -13.6001 -13.3252 -13.3252 -11.0321 -11.0318 -9.7173 -9.7151 -8.4972 -8.4912 -8.2980 -8.2890 -3.4382 -3.4371 -1.6343 -1.6334 -1.4534 -1.4487 -1.2528 -1.2413 -1.0241 -1.0185 -0.1271 -0.1198 0.9711 0.9759 1.0694 1.0822 2.1103 2.1206 2.1940 2.1950 2.4290 2.4305 2.9187 2.9322 2.9791 2.9830 3.4894 3.5010 3.6552 3.6584 4.4993 4.5020 5.1102 5.1162 5.1212 5.1243 12.4811 12.4953 12.9213 12.9228 13.3117 13.3140 13.4483 13.4542 14.1012 14.1015 k = 0.3369 0.5449-0.0000 ( 4231 PWs) bands (ev): -13.5939 -13.5938 -13.3250 -13.3250 -11.0693 -11.0690 -9.6692 -9.6669 -8.5151 -8.5094 -8.2976 -8.2885 -3.4396 -3.4385 -1.6127 -1.6119 -1.4503 -1.4455 -1.2408 -1.2294 -1.0087 -1.0034 -0.2134 -0.2065 1.0021 1.0068 1.0352 1.0479 2.1756 2.1764 2.1782 2.1886 2.4261 2.4272 2.9487 2.9602 2.9625 2.9634 3.4786 3.4907 3.6122 3.6167 4.5500 4.5529 5.0818 5.0878 5.1484 5.1515 12.4846 12.4988 12.8954 12.8969 13.3763 13.3790 13.3979 13.4032 14.0915 14.0917 k = 0.3456 0.5589-0.0000 ( 4229 PWs) bands (ev): -13.5879 -13.5878 -13.3246 -13.3246 -11.1047 -11.1045 -9.6204 -9.6179 -8.5325 -8.5270 -8.2990 -8.2899 -3.4419 -3.4409 -1.5924 -1.5916 -1.4701 -1.4650 -1.2021 -1.1910 -0.9921 -0.9872 -0.2993 -0.2928 0.9995 1.0123 1.0314 1.0361 2.1605 2.1612 2.2428 2.2532 2.4239 2.4244 2.9396 2.9411 2.9790 2.9922 3.4684 3.4814 3.5716 3.5777 4.6012 4.6042 5.0539 5.0598 5.1756 5.1788 12.4880 12.5019 12.8688 12.8704 13.3507 13.3553 13.4417 13.4445 14.0807 14.0808 k = 0.3456 0.5589-0.0000 ( 4229 PWs) bands (ev): -13.5879 -13.5878 -13.3246 -13.3246 -11.1047 -11.1045 -9.6204 -9.6179 -8.5325 -8.5270 -8.2990 -8.2899 -3.4419 -3.4409 -1.5924 -1.5916 -1.4701 -1.4650 -1.2021 -1.1910 -0.9921 -0.9872 -0.2993 -0.2928 0.9995 1.0123 1.0314 1.0361 2.1605 2.1612 2.2428 2.2532 2.4239 2.4244 2.9396 2.9411 2.9790 2.9922 3.4684 3.4814 3.5716 3.5777 4.6012 4.6042 5.0539 5.0598 5.1756 5.1788 12.4880 12.5019 12.8688 12.8704 13.3507 13.3553 13.4417 13.4445 14.0807 14.0808 k = 0.3291 0.5589-0.0000 ( 4233 PWs) bands (ev): -13.5912 -13.5911 -13.3249 -13.3249 -11.0855 -11.0852 -9.6466 -9.6442 -8.5233 -8.5177 -8.2979 -8.2888 -3.4400 -3.4390 -1.6218 -1.6209 -1.4434 -1.4390 -1.2244 -1.2131 -0.9985 -0.9934 -0.2529 -0.2462 1.0123 1.0173 1.0231 1.0342 2.1660 2.1674 2.2103 2.2202 2.4251 2.4259 2.9383 2.9447 2.9752 2.9848 3.4737 3.4861 3.5936 3.5989 4.5742 4.5772 5.0678 5.0737 5.1626 5.1656 12.4870 12.5010 12.8819 12.8835 13.3685 13.3728 13.4117 13.4137 14.0834 14.0839 k = 0.3127 0.5589-0.0000 ( 4226 PWs) bands (ev): -13.5949 -13.5948 -13.3253 -13.3253 -11.0641 -11.0638 -9.6735 -9.6712 -8.5139 -8.5082 -8.2972 -8.2881 -3.4373 -3.4362 -1.6728 -1.6719 -1.4089 -1.4053 -1.2401 -1.2286 -0.9992 -0.9940 -0.2043 -0.1974 0.9934 0.9983 1.0446 1.0573 2.1516 2.1583 2.1961 2.2007 2.4261 2.4272 2.9176 2.9283 2.9904 2.9964 3.4787 3.4907 3.6178 3.6225 4.5477 4.5505 5.0792 5.0846 5.1537 5.1561 12.4876 12.5016 12.8928 12.8945 13.3583 13.3589 13.4053 13.4083 14.0851 14.0860 k = 0.2962 0.5589-0.0000 ( 4228 PWs) bands (ev): -13.5991 -13.5990 -13.3259 -13.3259 -11.0408 -11.0405 -9.7011 -9.6989 -8.5044 -8.4985 -8.2968 -8.2877 -3.4335 -3.4324 -1.7332 -1.7324 -1.3815 -1.3784 -1.2472 -1.2358 -0.9933 -0.9880 -0.1539 -0.1470 0.9706 0.9753 1.0706 1.0834 2.1132 2.1226 2.2044 2.2062 2.4262 2.4277 2.8933 2.9055 3.0094 3.0143 3.4832 3.4951 3.6430 3.6475 4.5221 4.5248 5.0849 5.0890 5.1521 5.1532 12.4902 12.5042 12.9015 12.9035 13.3263 13.3276 13.4123 13.4172 14.0909 14.0922 k = 0.2797 0.5589-0.0000 ( 4224 PWs) bands (ev): -13.6035 -13.6034 -13.3267 -13.3266 -11.0156 -11.0152 -9.7295 -9.7273 -8.4947 -8.4887 -8.2967 -8.2877 -3.4286 -3.4274 -1.7986 -1.7978 -1.3678 -1.3645 -1.2443 -1.2337 -0.9792 -0.9740 -0.1024 -0.0954 0.9454 0.9500 1.0994 1.1122 2.0683 2.0783 2.2177 2.2188 2.4246 2.4265 2.8689 2.8818 3.0293 3.0338 3.4873 3.4990 3.6686 3.6730 4.4978 4.5003 5.0834 5.0857 5.1580 5.1592 12.4950 12.5089 12.9082 12.9105 13.2925 13.2940 13.4159 13.4215 14.1030 14.1047 k = 0.2633 0.5589-0.0000 ( 4216 PWs) bands (ev): -13.6080 -13.6079 -13.3276 -13.3275 -10.9886 -10.9883 -9.7585 -9.7564 -8.4849 -8.4788 -8.2970 -8.2880 -3.4224 -3.4211 -1.8668 -1.8660 -1.3667 -1.3629 -1.2351 -1.2260 -0.9558 -0.9507 -0.0502 -0.0431 0.9183 0.9228 1.1306 1.1434 2.0203 2.0305 2.2327 2.2336 2.4207 2.4229 2.8457 2.8588 3.0496 3.0538 3.4906 3.5022 3.6937 3.6982 4.4752 4.4775 5.0768 5.0780 5.1689 5.1714 12.5021 12.5160 12.9132 12.9158 13.2592 13.2607 13.4135 13.4194 14.1223 14.1242 k = 0.2468 0.5589-0.0000 ( 4211 PWs) bands (ev): -13.6127 -13.6126 -13.3286 -13.3285 -10.9600 -10.9597 -9.7883 -9.7862 -8.4751 -8.4688 -8.2976 -8.2886 -3.4147 -3.4133 -1.9365 -1.9358 -1.3729 -1.3688 -1.2257 -1.2182 -0.9233 -0.9183 0.0022 0.0093 0.8902 0.8945 1.1641 1.1769 1.9699 1.9802 2.2480 2.2495 2.4138 2.4165 2.8246 2.8377 3.0699 3.0739 3.4930 3.5045 3.7176 3.7223 4.4547 4.4568 5.0680 5.0689 5.1825 5.1857 12.5117 12.5254 12.9166 12.9196 13.2271 13.2285 13.4052 13.4114 14.1485 14.1504 k = 0.2304 0.5589-0.0000 ( 4218 PWs) bands (ev): -13.6175 -13.6174 -13.3297 -13.3297 -10.9300 -10.9296 -9.8187 -9.8168 -8.4652 -8.4588 -8.2985 -8.2896 -3.4054 -3.4040 -2.0068 -2.0061 -1.3823 -1.3780 -1.2191 -1.2129 -0.8834 -0.8785 0.0542 0.0612 0.8616 0.8656 1.1997 1.2124 1.9174 1.9278 2.2627 2.2655 2.4039 2.4074 2.8063 2.8190 3.0901 3.0941 3.4943 3.5058 3.7397 3.7447 4.4367 4.4385 5.0588 5.0599 5.1969 5.2005 12.5237 12.5372 12.9188 12.9222 13.1965 13.1977 13.3920 13.3982 14.1807 14.1825 k = 0.2139 0.5589-0.0000 ( 4223 PWs) bands (ev): -13.6222 -13.6221 -13.3309 -13.3309 -10.8987 -10.8983 -9.8498 -9.8480 -8.4554 -8.4489 -8.2997 -8.2908 -3.3946 -3.3931 -2.0771 -2.0764 -1.3929 -1.3887 -1.2157 -1.2105 -0.8380 -0.8333 0.1051 0.1118 0.8335 0.8372 1.2372 1.2500 1.8634 1.8737 2.2751 2.2799 2.3919 2.3967 2.7911 2.8033 3.1102 3.1142 3.4944 3.5058 3.7595 3.7647 4.4214 4.4229 5.0503 5.0514 5.2112 5.2151 12.5379 12.5513 12.9201 12.9238 13.1676 13.1686 13.3750 13.3812 14.2176 14.2192 k = 0.1975 0.5589-0.0000 ( 4225 PWs) bands (ev): -13.6268 -13.6267 -13.3322 -13.3322 -10.8663 -10.8658 -9.8815 -9.8797 -8.4457 -8.4391 -8.3013 -8.2924 -3.3820 -3.3805 -2.1467 -2.1460 -1.4038 -1.3997 -1.2147 -1.2103 -0.7893 -0.7847 0.1539 0.1603 0.8070 0.8102 1.2766 1.2893 1.8079 1.8182 2.2813 2.2891 2.3810 2.3878 2.7790 2.7905 3.1302 3.1341 3.4930 3.5043 3.7767 3.7822 4.4089 4.4102 5.0428 5.0440 5.2250 5.2290 12.5543 12.5675 12.9208 12.9248 13.1404 13.1414 13.3553 13.3615 14.2579 14.2591 k = 0.1810 0.5589-0.0000 ( 4221 PWs) bands (ev): -13.6312 -13.6311 -13.3336 -13.3335 -10.8330 -10.8325 -9.9138 -9.9120 -8.4361 -8.4293 -8.3031 -8.2943 -3.3677 -3.3661 -2.2151 -2.2144 -1.4145 -1.4107 -1.2153 -1.2116 -0.7387 -0.7341 0.1995 0.2054 0.7836 0.7861 1.3175 1.3302 1.7512 1.7615 2.2764 2.2866 2.3775 2.3859 2.7699 2.7806 3.1498 3.1538 3.4900 3.5011 3.7912 3.7969 4.3993 4.4005 5.0366 5.0379 5.2380 5.2419 12.5726 12.5855 12.9210 12.9252 13.1152 13.1162 13.3341 13.3401 14.2998 14.3008 k = 0.1646 0.5589-0.0000 ( 4225 PWs) bands (ev): -13.6354 -13.6354 -13.3349 -13.3348 -10.7989 -10.7984 -9.9464 -9.9447 -8.4267 -8.4198 -8.3053 -8.2966 -3.3516 -3.3500 -2.2819 -2.2812 -1.4248 -1.4212 -1.2169 -1.2137 -0.6873 -0.6828 0.2400 0.2451 0.7653 0.7668 1.3598 1.3725 1.6935 1.7037 2.2584 2.2694 2.3847 2.3929 2.7632 2.7730 3.1692 3.1732 3.4852 3.4961 3.8029 3.8088 4.3924 4.3936 5.0317 5.0330 5.2499 5.2537 12.5925 12.6051 12.9209 12.9254 13.0920 13.0932 13.3120 13.3180 14.3381 14.3404 k = 0.1481 0.5589-0.0000 ( 4225 PWs) bands (ev): -13.6394 -13.6393 -13.3362 -13.3361 -10.7644 -10.7638 -9.9793 -9.9777 -8.4175 -8.4105 -8.3078 -8.2991 -3.3339 -3.3323 -2.3466 -2.3459 -1.4343 -1.4310 -1.2190 -1.2163 -0.6361 -0.6317 0.2732 0.2772 0.7545 0.7550 1.4034 1.4160 1.6352 1.6452 2.2305 2.2414 2.3988 2.4060 2.7584 2.7673 3.1883 3.1923 3.4787 3.4893 3.8123 3.8181 4.3880 4.3891 5.0282 5.0295 5.2605 5.2642 12.6136 12.6259 12.9207 12.9253 13.0713 13.0727 13.2899 13.2957 14.3469 14.3521 k = 0.1316 0.5589-0.0000 ( 4226 PWs) bands (ev): -13.6431 -13.6430 -13.3374 -13.3374 -10.7297 -10.7291 -10.0122 -10.0108 -8.4086 -8.4014 -8.3106 -8.3020 -3.3147 -3.3131 -2.4088 -2.4080 -1.4432 -1.4402 -1.2213 -1.2189 -0.5858 -0.5816 0.2969 0.2996 0.7528 0.7542 1.4477 1.4604 1.5765 1.5864 2.1963 2.2072 2.4156 2.4218 2.7549 2.7630 3.2070 3.2111 3.4704 3.4806 3.8195 3.8251 4.3855 4.3867 5.0260 5.0273 5.2699 5.2734 12.6355 12.6474 12.9199 12.9246 13.0534 13.0552 13.2680 13.2737 14.3245 14.3290 k = 0.1152 0.5589-0.0000 ( 4230 PWs) bands (ev): -13.6464 -13.6464 -13.3386 -13.3386 -10.6952 -10.6946 -10.0450 -10.0436 -8.3999 -8.3927 -8.3138 -8.3053 -3.2942 -3.2926 -2.4678 -2.4670 -1.4511 -1.4485 -1.2236 -1.2216 -0.5372 -0.5332 0.3095 0.3108 0.7625 0.7655 1.4892 1.5022 1.5212 1.5307 2.1580 2.1689 2.4330 2.4384 2.7524 2.7597 3.2254 3.2295 3.4604 3.4700 3.8250 3.8303 4.3847 4.3859 5.0250 5.0262 5.2780 5.2813 12.6577 12.6691 12.9180 12.9229 13.0391 13.0417 13.2468 13.2524 14.2971 14.3011 k = 0.0987 0.5589-0.0000 ( 4234 PWs) bands (ev): -13.6494 -13.6493 -13.3397 -13.3396 -10.6613 -10.6607 -10.0772 -10.0759 -8.3915 -8.3842 -8.3173 -8.3089 -3.2728 -3.2713 -2.5231 -2.5222 -1.4581 -1.4559 -1.2257 -1.2240 -0.4911 -0.4873 0.3113 0.3115 0.7842 0.7887 1.4546 1.4648 1.5428 1.5548 2.1169 2.1278 2.4500 2.4547 2.7505 2.7570 3.2435 3.2477 3.4488 3.4579 3.8291 3.8340 4.3849 4.3861 5.0249 5.0261 5.2849 5.2878 12.6797 12.6906 12.9141 12.9193 13.0295 13.0331 13.2264 13.2320 14.2694 14.2730 k = 0.0823 0.5589-0.0000 ( 4237 PWs) bands (ev): -13.6520 -13.6519 -13.3406 -13.3406 -10.6287 -10.6282 -10.1082 -10.1070 -8.3835 -8.3762 -8.3210 -8.3128 -3.2512 -3.2498 -2.5737 -2.5729 -1.4641 -1.4622 -1.2276 -1.2262 -0.4484 -0.4450 0.3038 0.3046 0.8161 0.8218 1.3962 1.4060 1.5890 1.6011 2.0737 2.0847 2.4658 2.4699 2.7490 2.7546 3.2613 3.2656 3.4359 3.4443 3.8323 3.8365 4.3858 4.3869 5.0256 5.0267 5.2905 5.2930 12.7010 12.7111 12.9075 12.9131 13.0255 13.0300 13.2070 13.2125 14.2432 14.2462 k = 0.0658 0.5589-0.0000 ( 4239 PWs) bands (ev): -13.6541 -13.6540 -13.3414 -13.3414 -10.5983 -10.5978 -10.1372 -10.1362 -8.3759 -8.3686 -8.3251 -8.3170 -3.2301 -3.2289 -2.6187 -2.6179 -1.4691 -1.4676 -1.2292 -1.2281 -0.4102 -0.4072 0.2913 0.2926 0.8556 0.8621 1.3380 1.3474 1.6362 1.6482 2.0291 2.0402 2.4798 2.4832 2.7479 2.7525 3.2787 3.2831 3.4220 3.4297 3.8346 3.8381 4.3871 4.3880 5.0268 5.0277 5.2949 5.2970 12.7210 12.7303 12.8984 12.9043 13.0270 13.0321 13.1888 13.1940 14.2196 14.2221 k = 0.0494 0.5589-0.0000 ( 4233 PWs) bands (ev): -13.6558 -13.6557 -13.3420 -13.3420 -10.5713 -10.5708 -10.1631 -10.1622 -8.3688 -8.3616 -8.3293 -8.3216 -3.2109 -3.2098 -2.6566 -2.6559 -1.4729 -1.4718 -1.2304 -1.2296 -0.3779 -0.3754 0.2773 0.2786 0.8997 0.9065 1.2815 1.2903 1.6835 1.6952 1.9838 1.9949 2.4915 2.4941 2.7470 2.7506 3.2956 3.3001 3.4075 3.4145 3.8364 3.8391 4.3883 4.3891 5.0281 5.0288 5.2983 5.2999 12.7392 12.7473 12.8881 12.8938 13.0330 13.0380 13.1722 13.1770 14.1998 14.2018 k = 0.0329 0.5589-0.0000 ( 4229 PWs) bands (ev): -13.6570 -13.6569 -13.3425 -13.3425 -10.5494 -10.5490 -10.1840 -10.1834 -8.3621 -8.3555 -8.3333 -8.3263 -3.1950 -3.1943 -2.6857 -2.6852 -1.4756 -1.4749 -1.2313 -1.2308 -0.3530 -0.3512 0.2648 0.2659 0.9449 0.9515 1.2288 1.2367 1.7301 1.7413 1.9389 1.9497 2.5004 2.5021 2.7465 2.7490 3.3117 3.3160 3.3932 3.3992 3.8378 3.8396 4.3894 4.3899 5.0293 5.0298 5.3007 5.3018 12.7547 12.7610 12.8784 12.8832 13.0412 13.0455 13.1581 13.1621 14.1849 14.1863 k = 0.0165 0.5589-0.0000 ( 4231 PWs) bands (ev): -13.6577 -13.6577 -13.3428 -13.3428 -10.5348 -10.5346 -10.1979 -10.1976 -8.3563 -8.3515 -8.3360 -8.3311 -3.1844 -3.1840 -2.7042 -2.7039 -1.4772 -1.4768 -1.2318 -1.2315 -0.3370 -0.3361 0.2563 0.2569 0.9851 0.9900 1.1862 1.1917 1.7737 1.7831 1.8977 1.9069 2.5060 2.5070 2.7464 2.7477 3.3258 3.3291 3.3813 3.3854 3.8388 3.8397 4.3902 4.3904 5.0302 5.0304 5.3023 5.3028 12.7662 12.7698 12.8715 12.8744 13.0490 13.0516 13.1484 13.1508 14.1757 14.1764 k = 0.0000 0.5589-0.0000 ( 4230 PWs) bands (ev): -13.6579 -13.6579 -13.3429 -13.3429 -10.5296 -10.5296 -10.2027 -10.2027 -8.3520 -8.3520 -8.3351 -8.3351 -3.1805 -3.1805 -2.7104 -2.7104 -1.4776 -1.4776 -1.2318 -1.2318 -0.3312 -0.3312 0.2535 0.2535 1.0054 1.0054 1.1696 1.1696 1.8018 1.8018 1.8792 1.8792 2.5083 2.5083 2.7468 2.7468 3.3336 3.3336 3.3773 3.3773 3.8394 3.8394 4.3905 4.3905 5.0306 5.0306 5.3030 5.3030 12.7718 12.7718 12.8700 12.8700 13.0532 13.0532 13.1457 13.1457 14.1729 14.1729 k = 0.0000 0.5589-0.0000 ( 4230 PWs) bands (ev): -13.6579 -13.6579 -13.3429 -13.3429 -10.5296 -10.5296 -10.2027 -10.2027 -8.3520 -8.3520 -8.3351 -8.3351 -3.1805 -3.1805 -2.7104 -2.7104 -1.4776 -1.4776 -1.2318 -1.2318 -0.3312 -0.3312 0.2535 0.2535 1.0054 1.0054 1.1696 1.1696 1.8018 1.8018 1.8792 1.8792 2.5083 2.5083 2.7468 2.7468 3.3336 3.3336 3.3773 3.3773 3.8394 3.8394 4.3905 4.3905 5.0306 5.0306 5.3030 5.3030 12.7718 12.7718 12.8700 12.8700 13.0532 13.0532 13.1457 13.1457 14.1729 14.1729 k = 0.0000 0.5589 0.0163 ( 4238 PWs) bands (ev): -13.6577 -13.6577 -13.3430 -13.3430 -10.5287 -10.5287 -10.2020 -10.2020 -8.3537 -8.3536 -8.3369 -8.3369 -3.1800 -3.1799 -2.7100 -2.7099 -1.4768 -1.4767 -1.2296 -1.2292 -0.3295 -0.3293 0.2536 0.2536 1.0031 1.0031 1.1672 1.1673 1.8011 1.8013 1.8803 1.8804 2.5064 2.5064 2.7475 2.7476 3.3350 3.3350 3.3783 3.3786 3.8389 3.8391 4.3910 4.3911 5.0304 5.0304 5.3027 5.3027 12.7688 12.7690 12.8661 12.8666 13.0512 13.0516 13.1475 13.1477 14.1762 14.1762 k = 0.0000 0.5589 0.0326 ( 4236 PWs) bands (ev): -13.6570 -13.6570 -13.3434 -13.3433 -10.5262 -10.5261 -10.2000 -10.1999 -8.3587 -8.3584 -8.3425 -8.3425 -3.1784 -3.1781 -2.7086 -2.7083 -1.4742 -1.4741 -1.2225 -1.2219 -0.3243 -0.3239 0.2539 0.2540 0.9962 0.9962 1.1601 1.1604 1.7992 1.7994 1.8836 1.8837 2.5008 2.5009 2.7498 2.7499 3.3389 3.3390 3.3814 3.3819 3.8377 3.8380 4.3925 4.3928 5.0299 5.0299 5.3018 5.3018 12.7604 12.7608 12.8551 12.8560 13.0459 13.0468 13.1531 13.1536 14.1859 14.1859 k = 0.0000 0.5589 0.0489 ( 4236 PWs) bands (ev): -13.6559 -13.6559 -13.3440 -13.3440 -10.5219 -10.5218 -10.1966 -10.1964 -8.3670 -8.3665 -8.3518 -8.3517 -3.1756 -3.1752 -2.7062 -2.7058 -1.4699 -1.4698 -1.2107 -1.2097 -0.3156 -0.3150 0.2545 0.2547 0.9849 0.9849 1.1486 1.1490 1.7960 1.7964 1.8888 1.8891 2.4918 2.4920 2.7535 2.7536 3.3452 3.3453 3.3866 3.3874 3.8357 3.8362 4.3950 4.3955 5.0290 5.0291 5.3003 5.3004 12.7469 12.7475 12.8373 12.8386 13.0378 13.0390 13.1622 13.1629 14.2006 14.2007 k = 0.0000 0.5589 0.0652 ( 4238 PWs) bands (ev): -13.6543 -13.6543 -13.3448 -13.3448 -10.5159 -10.5158 -10.1918 -10.1916 -8.3784 -8.3778 -8.3646 -8.3645 -3.1717 -3.1711 -2.7030 -2.7025 -1.4640 -1.4638 -1.1943 -1.1930 -0.3034 -0.3026 0.2553 0.2555 0.9695 0.9695 1.1330 1.1337 1.7915 1.7920 1.8957 1.8959 2.4799 2.4801 2.7585 2.7586 3.3535 3.3537 3.3939 3.3950 3.8329 3.8335 4.3986 4.3992 5.0278 5.0279 5.2983 5.2983 12.7292 12.7298 12.8134 12.8148 13.0275 13.0289 13.1746 13.1753 14.2185 14.2187 k = 0.0000 0.5589 0.0816 ( 4242 PWs) bands (ev): -13.6523 -13.6523 -13.3460 -13.3459 -10.5082 -10.5081 -10.1857 -10.1854 -8.3930 -8.3922 -8.3810 -8.3808 -3.1667 -3.1659 -2.6990 -2.6983 -1.4565 -1.4562 -1.1734 -1.1718 -0.2876 -0.2867 0.2563 0.2565 0.9503 0.9503 1.1139 1.1147 1.7858 1.7863 1.9035 1.9039 2.4656 2.4658 2.7646 2.7648 3.3633 3.3636 3.4032 3.4044 3.8292 3.8300 4.4031 4.4039 5.0262 5.0264 5.2957 5.2957 12.7080 12.7085 12.7841 12.7857 13.0154 13.0170 13.1897 13.1904 14.2371 14.2376 k = 0.0000 0.5589 0.0979 ( 4244 PWs) bands (ev): -13.6498 -13.6498 -13.3473 -13.3473 -10.4988 -10.4987 -10.1782 -10.1779 -8.4107 -8.4097 -8.4006 -8.4003 -3.1606 -3.1597 -2.6942 -2.6935 -1.4474 -1.4471 -1.1483 -1.1464 -0.2684 -0.2672 0.2573 0.2576 0.9280 0.9280 1.0916 1.0926 1.7787 1.7793 1.9119 1.9123 2.4495 2.4497 2.7716 2.7718 3.3741 3.3745 3.4143 3.4158 3.8247 3.8257 4.4086 4.4095 5.0242 5.0244 5.2924 5.2925 12.6842 12.6846 12.7507 12.7522 13.0021 13.0037 13.2072 13.2078 14.2537 14.2547 k = 0.0000 0.5589 0.1142 ( 4238 PWs) bands (ev): -13.6470 -13.6469 -13.3489 -13.3489 -10.4877 -10.4876 -10.1693 -10.1690 -8.4316 -8.4305 -8.4231 -8.4228 -3.1534 -3.1523 -2.6888 -2.6880 -1.4369 -1.4365 -1.1192 -1.1170 -0.2457 -0.2443 0.2582 0.2586 0.9030 0.9031 1.0667 1.0679 1.7704 1.7711 1.9203 1.9206 2.4322 2.4325 2.7794 2.7796 3.3855 3.3859 3.4271 3.4287 3.8194 3.8205 4.4148 4.4159 5.0218 5.0220 5.2886 5.2887 12.6586 12.6590 12.7143 12.7157 12.9878 12.9893 13.2266 13.2270 14.2662 14.2676 k = 0.0000 0.5589 0.1305 ( 4236 PWs) bands (ev): -13.6436 -13.6436 -13.3508 -13.3507 -10.4749 -10.4748 -10.1591 -10.1587 -8.4560 -8.4547 -8.4481 -8.4478 -3.1451 -3.1439 -2.6830 -2.6821 -1.4249 -1.4245 -1.0865 -1.0840 -0.2196 -0.2180 0.2589 0.2594 0.8761 0.8762 1.0397 1.0410 1.7609 1.7617 1.9279 1.9282 2.4147 2.4150 2.7876 2.7878 3.3969 3.3974 3.4414 3.4432 3.8131 3.8144 4.4218 4.4230 5.0189 5.0190 5.2841 5.2842 12.6322 12.6324 12.6762 12.6772 12.9728 12.9742 13.2476 13.2478 14.2728 14.2746 k = 0.0000 0.5589 0.1468 ( 4240 PWs) bands (ev): -13.6399 -13.6399 -13.3529 -13.3528 -10.4604 -10.4603 -10.1475 -10.1471 -8.4839 -8.4828 -8.4748 -8.4748 -3.1358 -3.1345 -2.6768 -2.6759 -1.4117 -1.4111 -1.0505 -1.0477 -0.1901 -0.1884 0.2592 0.2598 0.8479 0.8481 1.0111 1.0126 1.7502 1.7510 1.9341 1.9344 2.3974 2.3978 2.7960 2.7962 3.4079 3.4085 3.4570 3.4589 3.8061 3.8075 4.4293 4.4307 5.0154 5.0156 5.2790 5.2791 12.6056 12.6058 12.6374 12.6381 12.9574 12.9587 13.2696 13.2697 14.2732 14.2754 k = 0.0000 0.5589 0.1631 ( 4240 PWs) bands (ev): -13.6358 -13.6358 -13.3553 -13.3552 -10.4442 -10.4441 -10.1346 -10.1342 -8.5152 -8.5143 -8.5036 -8.5033 -3.1255 -3.1241 -2.6705 -2.6696 -1.3971 -1.3965 -1.0117 -1.0086 -0.1574 -0.1555 0.2587 0.2595 0.8193 0.8196 0.9811 0.9829 1.7384 1.7393 1.9384 1.9386 2.3813 2.3817 2.8044 2.8045 3.4181 3.4189 3.4735 3.4755 3.7984 3.7999 4.4372 4.4387 5.0115 5.0117 5.2733 5.2734 12.5795 12.5800 12.5993 12.5994 12.9419 12.9430 13.2921 13.2926 14.2682 14.2706 k = 0.0000 0.5589 0.1794 ( 4238 PWs) bands (ev): -13.6314 -13.6313 -13.3579 -13.3578 -10.4264 -10.4263 -10.1204 -10.1199 -8.5495 -8.5488 -8.5342 -8.5338 -3.1143 -3.1127 -2.6641 -2.6632 -1.3814 -1.3807 -0.9705 -0.9671 -0.1216 -0.1196 0.2572 0.2582 0.7912 0.7917 0.9504 0.9524 1.7257 1.7266 1.9401 1.9402 2.3669 2.3674 2.8125 2.8126 3.4272 3.4281 3.4905 3.4925 3.7902 3.7919 4.4453 4.4470 5.0071 5.0073 5.2669 5.2671 12.5532 12.5552 12.5624 12.5643 12.9265 12.9275 13.3149 13.3156 14.2592 14.2618 k = 0.0000 0.5589 0.1957 ( 4238 PWs) bands (ev): -13.6265 -13.6264 -13.3608 -13.3607 -10.4070 -10.4068 -10.1048 -10.1043 -8.5865 -8.5858 -8.5668 -8.5662 -3.1021 -3.1005 -2.6578 -2.6569 -1.3646 -1.3638 -0.9274 -0.9238 -0.0829 -0.0808 0.2543 0.2555 0.7646 0.7652 0.9193 0.9215 1.7121 1.7130 1.9388 1.9388 2.3548 2.3555 2.8202 2.8202 3.4350 3.4359 3.5074 3.5095 3.7820 3.7839 4.4534 4.4552 5.0022 5.0024 5.2598 5.2600 12.5230 12.5254 12.5348 12.5376 12.9115 12.9123 13.3373 13.3384 14.2479 14.2506 k = 0.0000 0.5589 0.2120 ( 4240 PWs) bands (ev): -13.6213 -13.6213 -13.3639 -13.3638 -10.3859 -10.3857 -10.0879 -10.0873 -8.6258 -8.6252 -8.6012 -8.6004 -3.0890 -3.0873 -2.6518 -2.6510 -1.3467 -1.3457 -0.8830 -0.8792 -0.0417 -0.0393 0.2495 0.2509 0.7406 0.7413 0.8881 0.8906 1.6977 1.6987 1.9340 1.9341 2.3456 2.3464 2.8272 2.8272 3.4411 3.4422 3.5233 3.5255 3.7745 3.7765 4.4612 4.4631 4.9968 4.9971 5.2521 5.2523 12.4919 12.4933 12.5154 12.5176 12.8973 12.8979 13.3588 13.3603 14.2356 14.2383 k = 0.0000 0.5589 0.2284 ( 4242 PWs) bands (ev): -13.6158 -13.6157 -13.3673 -13.3672 -10.3632 -10.3630 -10.0698 -10.0691 -8.6671 -8.6666 -8.6373 -8.6364 -3.0751 -3.0733 -2.6462 -2.6454 -1.3277 -1.3267 -0.8381 -0.8340 0.0019 0.0044 0.2423 0.2440 0.7202 0.7211 0.8573 0.8600 1.6826 1.6836 1.9256 1.9259 2.3395 2.3403 2.8334 2.8334 3.4456 3.4467 3.5372 3.5392 3.7688 3.7708 4.4685 4.4705 4.9912 4.9915 5.2437 5.2440 12.4637 12.4646 12.4998 12.5019 12.8840 12.8845 13.3788 13.3808 14.2233 14.2261 k = 0.0000 0.5589 0.2447 ( 4240 PWs) bands (ev): -13.6100 -13.6099 -13.3710 -13.3709 -10.3389 -10.3387 -10.0503 -10.0496 -8.7104 -8.7098 -8.6749 -8.6739 -3.0604 -3.0585 -2.6412 -2.6405 -1.3078 -1.3066 -0.7934 -0.7891 0.0472 0.0499 0.2325 0.2344 0.7045 0.7056 0.8273 0.8303 1.6669 1.6679 1.9138 1.9141 2.3365 2.3373 2.8386 2.8387 3.4483 3.4494 3.5474 3.5493 3.7662 3.7682 4.4749 4.4770 4.9854 4.9857 5.2347 5.2350 12.4395 12.4400 12.4882 12.4904 12.8720 12.8724 13.3968 13.3991 14.2120 14.2148 k = 0.0000 0.5589 0.2610 ( 4238 PWs) bands (ev): -13.6039 -13.6038 -13.3749 -13.3748 -10.3130 -10.3128 -10.0296 -10.0289 -8.7552 -8.7547 -8.7138 -8.7128 -3.0450 -3.0430 -2.6368 -2.6363 -1.2868 -1.2855 -0.7496 -0.7451 0.0939 0.0967 0.2201 0.2222 0.6942 0.6955 0.7987 0.8020 1.6508 1.6518 1.8987 1.8991 2.3364 2.3374 2.8426 2.8428 3.4491 3.4502 3.5525 3.5541 3.7683 3.7701 4.4801 4.4822 4.9796 4.9799 5.2250 5.2254 12.4199 12.4203 12.4811 12.4834 12.8614 12.8618 13.4120 13.4147 14.2018 14.2047 k = 0.0000 0.5589 0.2773 ( 4238 PWs) bands (ev): -13.5975 -13.5974 -13.3791 -13.3790 -10.2856 -10.2854 -10.0077 -10.0069 -8.8014 -8.8009 -8.7540 -8.7529 -3.0288 -3.0268 -2.6333 -2.6329 -1.2649 -1.2634 -0.7077 -0.7031 0.1410 0.1439 0.2052 0.2076 0.6900 0.6914 0.7719 0.7756 1.6342 1.6352 1.8808 1.8812 2.3391 2.3401 2.8455 2.8458 3.4481 3.4492 3.5513 3.5524 3.7762 3.7777 4.4837 4.4859 4.9740 4.9743 5.2148 5.2152 12.4055 12.4057 12.4787 12.4811 12.8525 12.8528 13.4238 13.4270 14.1931 14.1960 k = 0.0000 0.5589 0.2936 ( 4244 PWs) bands (ev): -13.5909 -13.5908 -13.3835 -13.3834 -10.2566 -10.2564 -9.9845 -9.9837 -8.8488 -8.8484 -8.7951 -8.7939 -3.0121 -3.0100 -2.6307 -2.6304 -1.2419 -1.2403 -0.6687 -0.6641 0.1860 0.1867 0.1927 0.1928 0.6919 0.6934 0.7480 0.7520 1.6174 1.6183 1.8603 1.8608 2.3441 2.3452 2.8469 2.8473 3.4452 3.4463 3.5437 3.5444 3.7899 3.7911 4.4854 4.4877 4.9688 4.9691 5.2040 5.2044 12.3967 12.3967 12.4813 12.4839 12.8455 12.8457 13.4318 13.4354 14.1858 14.1886 k = 0.0000 0.5589 0.3099 ( 4242 PWs) bands (ev): -13.5841 -13.5839 -13.3882 -13.3881 -10.2262 -10.2260 -9.9602 -9.9594 -8.8972 -8.8968 -8.8371 -8.8359 -2.9948 -2.9927 -2.6292 -2.6290 -1.2179 -1.2162 -0.6338 -0.6290 0.1711 0.1739 0.2327 0.2359 0.6997 0.7013 0.7279 0.7323 1.6002 1.6012 1.8378 1.8383 2.3513 2.3524 2.8469 2.8473 3.4407 3.4417 3.5307 3.5309 3.8085 3.8095 4.4850 4.4872 4.9644 4.9645 5.1927 5.1932 12.3935 12.3936 12.4891 12.4918 12.8403 12.8405 13.4356 13.4396 14.1775 14.1784 k = 0.0000 0.5589 0.3262 ( 4238 PWs) bands (ev): -13.5770 -13.5769 -13.3931 -13.3930 -10.1944 -10.1942 -9.9348 -9.9339 -8.9464 -8.9459 -8.8797 -8.8785 -2.9770 -2.9749 -2.6287 -2.6287 -1.1929 -1.1911 -0.6039 -0.5992 0.1544 0.1574 0.2737 0.2771 0.7118 0.7122 0.7165 0.7191 1.5829 1.5839 1.8135 1.8141 2.3604 2.3614 2.8452 2.8457 3.4347 3.4356 3.5133 3.5135 3.8310 3.8318 4.4820 4.4842 4.9608 4.9609 5.1809 5.1815 12.3965 12.3966 12.5020 12.5048 12.8372 12.8374 13.4349 13.4393 14.1198 14.1221 k = 0.0000 0.5589 0.3425 ( 4236 PWs) bands (ev): -13.5698 -13.5696 -13.3983 -13.3982 -10.1611 -10.1609 -9.9084 -9.9075 -8.9960 -8.9956 -8.9229 -8.9216 -2.9588 -2.9566 -2.6297 -2.6295 -1.1668 -1.1649 -0.5803 -0.5756 0.1396 0.1427 0.3088 0.3121 0.7057 0.7102 0.7329 0.7341 1.5655 1.5664 1.7878 1.7884 2.3711 2.3722 2.8416 2.8422 3.4272 3.4280 3.4928 3.4934 3.8564 3.8569 4.4764 4.4785 4.9583 4.9584 5.1688 5.1694 12.4056 12.4058 12.5201 12.5230 12.8362 12.8364 13.4297 13.4345 14.0542 14.0566 k = 0.0000 0.5589 0.3588 ( 4230 PWs) bands (ev): -13.5624 -13.5622 -13.4038 -13.4036 -10.1265 -10.1263 -9.8810 -9.8801 -9.0460 -9.0456 -8.9663 -8.9650 -2.9402 -2.9381 -2.6319 -2.6316 -1.1397 -1.1377 -0.5638 -0.5592 0.1278 0.1311 0.3355 0.3384 0.7082 0.7127 0.7562 0.7573 1.5481 1.5489 1.7608 1.7614 2.3835 2.3845 2.8360 2.8367 3.4184 3.4191 3.4706 3.4715 3.8838 3.8842 4.4679 4.4700 4.9571 4.9572 5.1564 5.1571 12.4209 12.4211 12.5431 12.5462 12.8371 12.8374 13.4201 13.4253 13.9840 13.9865 k = 0.0000 0.5589 0.3752 ( 4228 PWs) bands (ev): -13.5549 -13.5547 -13.4094 -13.4093 -10.0906 -10.0904 -9.8529 -9.8518 -9.0960 -9.0955 -9.0100 -9.0087 -2.9214 -2.9193 -2.6354 -2.6349 -1.1115 -1.1094 -0.5551 -0.5507 0.1201 0.1235 0.3520 0.3544 0.7214 0.7257 0.7835 0.7845 1.5307 1.5314 1.7327 1.7333 2.3973 2.3983 2.8283 2.8290 3.4087 3.4092 3.4477 3.4489 3.9126 3.9129 4.4566 4.4586 4.9572 4.9574 5.1438 5.1445 12.4425 12.4427 12.5708 12.5740 12.8400 12.8404 13.4062 13.4118 13.9107 13.9134 k = 0.0000 0.5589 0.3915 ( 4230 PWs) bands (ev): -13.5472 -13.5471 -13.4154 -13.4152 -10.0536 -10.0533 -9.8241 -9.8230 -9.1456 -9.1452 -9.0536 -9.0522 -2.9025 -2.9003 -2.6402 -2.6396 -1.0823 -1.0801 -0.5544 -0.5501 0.1169 0.1205 0.3583 0.3600 0.7449 0.7487 0.8140 0.8148 1.5134 1.5142 1.7037 1.7043 2.4127 2.4136 2.8180 2.8188 3.3982 3.3986 3.4250 3.4264 3.9425 3.9428 4.4425 4.4443 4.9588 4.9590 5.1310 5.1317 12.4703 12.4703 12.6025 12.6059 12.8448 12.8453 13.3881 13.3941 13.8363 13.8391 k = 0.0000 0.5589 0.4078 ( 4232 PWs) bands (ev): -13.5395 -13.5394 -13.4215 -13.4213 -10.0154 -10.0152 -9.7949 -9.7939 -9.1946 -9.1942 -9.0970 -9.0956 -2.8834 -2.8812 -2.6463 -2.6456 -1.0520 -1.0497 -0.5614 -0.5572 0.1183 0.1219 0.3561 0.3570 0.7764 0.7796 0.8468 0.8474 1.4965 1.4972 1.6740 1.6745 2.4296 2.4305 2.8052 2.8061 3.3872 3.3874 3.4032 3.4048 3.9731 3.9734 4.4257 4.4274 4.9616 4.9619 5.1182 5.1190 12.5039 12.5039 12.6377 12.6412 12.8512 12.8519 13.3658 13.3722 13.7629 13.7658 k = 0.0000 0.5589 0.4241 ( 4236 PWs) bands (ev): -13.5317 -13.5316 -13.4278 -13.4277 -9.9763 -9.9760 -9.7658 -9.7648 -9.2424 -9.2420 -9.1400 -9.1386 -2.8644 -2.8622 -2.6538 -2.6529 -1.0207 -1.0183 -0.5752 -0.5713 0.1238 0.1275 0.3477 0.3478 0.8129 0.8156 0.8808 0.8812 1.4803 1.4809 1.6435 1.6441 2.4482 2.4490 2.7897 2.7906 3.3759 3.3760 3.3831 3.3850 4.0043 4.0046 4.4064 4.4080 4.9658 4.9662 5.1054 5.1062 12.5431 12.5433 12.6755 12.6791 12.8590 12.8599 13.3389 13.3454 13.6934 13.6962 k = 0.0000 0.5589 0.4404 ( 4240 PWs) bands (ev): -13.5239 -13.5237 -13.4344 -13.4342 -9.9363 -9.9360 -9.7375 -9.7364 -9.2882 -9.2877 -9.1823 -9.1810 -2.8454 -2.8433 -2.6626 -2.6615 -0.9884 -0.9859 -0.5950 -0.5912 0.1329 0.1366 0.3346 0.3350 0.8515 0.8538 0.9149 0.9150 1.4651 1.4658 1.6127 1.6133 2.4683 2.4691 2.7715 2.7725 3.3640 3.3643 3.3661 3.3680 4.0357 4.0361 4.3849 4.3864 4.9712 4.9716 5.0927 5.0935 12.5876 12.5880 12.7145 12.7183 12.8678 12.8691 13.3061 13.3125 13.6315 13.6340 k = 0.0000 0.5589 0.4567 ( 4236 PWs) bands (ev): -13.5160 -13.5159 -13.4411 -13.4410 -9.8958 -9.8955 -9.7111 -9.7100 -9.3307 -9.3302 -9.2238 -9.2225 -2.8267 -2.8246 -2.6727 -2.6714 -0.9553 -0.9527 -0.6195 -0.6159 0.1448 0.1484 0.3187 0.3197 0.8900 0.8920 0.9473 0.9474 1.4517 1.4524 1.5818 1.5823 2.4902 2.4909 2.7507 2.7516 3.3497 3.3512 3.3546 3.3556 4.0674 4.0677 4.3614 4.3628 4.9776 4.9781 5.0802 5.0810 12.6370 12.6377 12.7533 12.7572 12.8773 12.8789 13.2658 13.2718 13.5814 13.5832 k = 0.0000 0.5589 0.4730 ( 4236 PWs) bands (ev): -13.5082 -13.5081 -13.4481 -13.4479 -9.8550 -9.8547 -9.6887 -9.6877 -9.3679 -9.3673 -9.2639 -9.2626 -2.8083 -2.8062 -2.6839 -2.6826 -0.9214 -0.9186 -0.6477 -0.6442 0.1589 0.1624 0.3014 0.3028 0.9266 0.9284 0.9764 0.9767 1.4411 1.4417 1.5512 1.5518 2.5136 2.5144 2.7275 2.7284 3.3378 3.3394 3.3447 3.3457 4.0990 4.0994 4.3363 4.3375 4.9850 4.9856 5.0679 5.0687 12.6905 12.6915 12.7899 12.7937 12.8870 12.8891 13.2170 13.2220 13.5471 13.5479 k = 0.0000 0.5589 0.4893 ( 4234 PWs) bands (ev): -13.5004 -13.5002 -13.4552 -13.4550 -9.8144 -9.8141 -9.6736 -9.6727 -9.3962 -9.3956 -9.3023 -9.3010 -2.7902 -2.7883 -2.6963 -2.6949 -0.8868 -0.8840 -0.6787 -0.6754 0.1746 0.1780 0.2832 0.2850 0.9596 0.9612 1.0001 1.0007 1.4345 1.4352 1.5218 1.5224 2.5385 2.5393 2.7023 2.7032 3.3289 3.3307 3.3361 3.3371 4.1305 4.1310 4.3096 4.3107 4.9933 4.9939 5.0559 5.0567 12.7468 12.7483 12.8220 12.8258 12.8966 12.8993 13.1603 13.1641 13.5304 13.5307 k = 0.0000 0.5589 0.5057 ( 4228 PWs) bands (ev): -13.4926 -13.4925 -13.4624 -13.4623 -9.7749 -9.7745 -9.6703 -9.6695 -9.4113 -9.4105 -9.3380 -9.3368 -2.7727 -2.7708 -2.7098 -2.7082 -0.8517 -0.8488 -0.7117 -0.7084 0.1915 0.1946 0.2646 0.2668 0.9874 0.9888 1.0164 1.0173 1.4335 1.4341 1.4944 1.4950 2.5648 2.5655 2.6756 2.6765 3.3233 3.3250 3.3290 3.3302 4.1618 4.1624 4.2818 4.2827 5.0023 5.0030 5.0443 5.0450 12.8031 12.8050 12.8475 12.8509 12.9076 12.9108 13.0983 13.1008 13.5310 13.5323 k = 0.0000 0.5589 0.5220 ( 4222 PWs) bands (ev): -13.4849 -13.4848 -13.4698 -13.4696 -9.7378 -9.7374 -9.6815 -9.6808 -9.4104 -9.4094 -9.3697 -9.3685 -2.7558 -2.7540 -2.7243 -2.7226 -0.8163 -0.8134 -0.7460 -0.7428 0.2091 0.2121 0.2459 0.2484 1.0083 1.0096 1.0236 1.0246 1.4390 1.4397 1.4705 1.4712 2.5920 2.5928 2.6480 2.6488 3.3207 3.3223 3.3239 3.3253 4.1927 4.1934 4.2529 4.2537 5.0120 5.0127 5.0330 5.0338 12.8495 12.8509 12.8641 12.8667 12.9283 12.9311 13.0345 13.0357 13.5488 13.5507 k = 0.0000 0.5589 0.5383 ( 4220 PWs) bands (ev): -13.4773 -13.4773 -13.4771 -13.4771 -9.7054 -9.7054 -9.7049 -9.7049 -9.3951 -9.3951 -9.3940 -9.3940 -2.7396 -2.7396 -2.7379 -2.7379 -0.7810 -0.7810 -0.7779 -0.7779 0.2273 0.2273 0.2301 0.2301 1.0208 1.0208 1.0220 1.0220 1.4516 1.4516 1.4523 1.4523 2.6199 2.6199 2.6207 2.6207 3.3210 3.3210 3.3225 3.3225 4.2231 4.2231 4.2239 4.2239 5.0222 5.0222 5.0230 5.0230 12.8684 12.8684 12.8694 12.8694 12.9742 12.9742 12.9747 12.9747 13.5822 13.5822 k = 0.0000 0.5589 0.5383 ( 4220 PWs) bands (ev): -13.4773 -13.4773 -13.4771 -13.4771 -9.7054 -9.7054 -9.7049 -9.7049 -9.3951 -9.3951 -9.3940 -9.3940 -2.7396 -2.7396 -2.7379 -2.7379 -0.7810 -0.7810 -0.7779 -0.7779 0.2273 0.2273 0.2301 0.2301 1.0208 1.0208 1.0220 1.0220 1.4516 1.4516 1.4523 1.4523 2.6199 2.6199 2.6207 2.6207 3.3210 3.3210 3.3225 3.3225 4.2231 4.2231 4.2239 4.2239 5.0222 5.0222 5.0230 5.0230 12.8684 12.8684 12.8694 12.8694 12.9742 12.9742 12.9747 12.9747 13.5822 13.5822 k = 0.0165 0.5589 0.5383 ( 4226 PWs) bands (ev): -13.4772 -13.4772 -13.4770 -13.4770 -9.7079 -9.7079 -9.7073 -9.7073 -9.3929 -9.3929 -9.3917 -9.3917 -2.7379 -2.7379 -2.7361 -2.7361 -0.7852 -0.7852 -0.7822 -0.7822 0.2301 0.2301 0.2329 0.2329 1.0191 1.0191 1.0208 1.0208 1.4532 1.4532 1.4550 1.4550 2.6186 2.6186 2.6197 2.6197 3.3220 3.3220 3.3236 3.3236 4.2238 4.2238 4.2246 4.2246 5.0204 5.0204 5.0212 5.0212 12.8669 12.8669 12.8684 12.8684 12.9753 12.9753 12.9767 12.9767 13.5818 13.5818 k = 0.0329 0.5589 0.5383 ( 4228 PWs) bands (ev): -13.4768 -13.4768 -13.4766 -13.4766 -9.7152 -9.7152 -9.7144 -9.7144 -9.3864 -9.3864 -9.3852 -9.3852 -2.7328 -2.7328 -2.7310 -2.7310 -0.7979 -0.7979 -0.7949 -0.7949 0.2384 0.2384 0.2413 0.2413 1.0145 1.0145 1.0172 1.0172 1.4587 1.4587 1.4620 1.4620 2.6148 2.6148 2.6164 2.6164 3.3249 3.3249 3.3267 3.3267 4.2259 4.2259 4.2267 4.2267 5.0150 5.0150 5.0159 5.0159 12.8628 12.8628 12.8651 12.8651 12.9792 12.9792 12.9817 12.9817 13.5805 13.5805 k = 0.0494 0.5589 0.5383 ( 4228 PWs) bands (ev): -13.4761 -13.4761 -13.4759 -13.4759 -9.7266 -9.7266 -9.7256 -9.7256 -9.3764 -9.3764 -9.3750 -9.3750 -2.7242 -2.7242 -2.7224 -2.7224 -0.8184 -0.8184 -0.8155 -0.8155 0.2517 0.2517 0.2547 0.2547 1.0074 1.0074 1.0111 1.0111 1.4681 1.4681 1.4728 1.4728 2.6088 2.6088 2.6110 2.6110 3.3295 3.3295 3.3317 3.3317 4.2293 4.2293 4.2302 4.2302 5.0061 5.0061 5.0071 5.0071 12.8570 12.8570 12.8600 12.8600 12.9855 12.9855 12.9890 12.9890 13.5784 13.5784 k = 0.0658 0.5589 0.5383 ( 4232 PWs) bands (ev): -13.4752 -13.4752 -13.4750 -13.4750 -9.7414 -9.7414 -9.7402 -9.7402 -9.3633 -9.3633 -9.3618 -9.3618 -2.7122 -2.7122 -2.7104 -2.7104 -0.8462 -0.8462 -0.8433 -0.8433 0.2694 0.2694 0.2725 0.2725 0.9983 0.9983 1.0028 1.0028 1.4810 1.4810 1.4870 1.4870 2.6007 2.6007 2.6035 2.6035 3.3358 3.3358 3.3383 3.3383 4.2341 4.2341 4.2352 4.2352 4.9937 4.9937 4.9950 4.9950 12.8501 12.8501 12.8535 12.8535 12.9934 12.9934 12.9977 12.9977 13.5756 13.5756 k = 0.0823 0.5589 0.5383 ( 4232 PWs) bands (ev): -13.4740 -13.4740 -13.4738 -13.4738 -9.7588 -9.7588 -9.7575 -9.7575 -9.3480 -9.3480 -9.3464 -9.3464 -2.6970 -2.6970 -2.6951 -2.6951 -0.8804 -0.8804 -0.8777 -0.8777 0.2907 0.2907 0.2939 0.2939 0.9876 0.9876 0.9929 0.9929 1.4970 1.4970 1.5042 1.5042 2.5908 2.5908 2.5941 2.5941 3.3435 3.3435 3.3463 3.3463 4.2404 4.2404 4.2415 4.2415 4.9782 4.9782 4.9796 4.9796 12.8424 12.8424 12.8462 12.8462 13.0024 13.0024 13.0075 13.0075 13.5721 13.5721 k = 0.0987 0.5589 0.5383 ( 4230 PWs) bands (ev): -13.4726 -13.4726 -13.4724 -13.4724 -9.7783 -9.7783 -9.7769 -9.7769 -9.3310 -9.3310 -9.3293 -9.3293 -2.6785 -2.6785 -2.6766 -2.6766 -0.9203 -0.9203 -0.9177 -0.9177 0.3148 0.3148 0.3182 0.3182 0.9759 0.9759 0.9816 0.9816 1.5156 1.5156 1.5237 1.5237 2.5793 2.5793 2.5831 2.5831 3.3522 3.3522 3.3552 3.3552 4.2481 4.2481 4.2494 4.2494 4.9596 4.9596 4.9613 4.9613 12.8343 12.8343 12.8383 12.8383 13.0120 13.0120 13.0177 13.0177 13.5681 13.5681 k = 0.1152 0.5589 0.5383 ( 4226 PWs) bands (ev): -13.4709 -13.4709 -13.4708 -13.4708 -9.7991 -9.7991 -9.7977 -9.7977 -9.3128 -9.3128 -9.3111 -9.3111 -2.6569 -2.6569 -2.6550 -2.6550 -0.9650 -0.9650 -0.9625 -0.9625 0.3410 0.3410 0.3446 0.3446 0.9634 0.9634 0.9695 0.9695 1.5364 1.5364 1.5453 1.5453 2.5665 2.5665 2.5707 2.5707 3.3617 3.3617 3.3649 3.3649 4.2572 4.2572 4.2587 4.2587 4.9382 4.9382 4.9401 4.9401 12.8259 12.8259 12.8300 12.8300 13.0218 13.0218 13.0282 13.0282 13.5636 13.5636 k = 0.1316 0.5589 0.5383 ( 4224 PWs) bands (ev): -13.4691 -13.4691 -13.4690 -13.4690 -9.8210 -9.8210 -9.8195 -9.8195 -9.2939 -9.2939 -9.2921 -9.2921 -2.6324 -2.6324 -2.6304 -2.6304 -1.0139 -1.0139 -1.0115 -1.0115 0.3686 0.3686 0.3724 0.3724 0.9505 0.9505 0.9569 0.9569 1.5589 1.5589 1.5685 1.5685 2.5527 2.5527 2.5573 2.5573 3.3716 3.3716 3.3749 3.3749 4.2679 4.2679 4.2694 4.2694 4.9144 4.9144 4.9165 4.9165 12.8172 12.8172 12.8213 12.8213 13.0316 13.0316 13.0387 13.0387 13.5588 13.5588 k = 0.1481 0.5589 0.5383 ( 4226 PWs) bands (ev): -13.4671 -13.4671 -13.4670 -13.4670 -9.8435 -9.8435 -9.8420 -9.8420 -9.2744 -9.2744 -9.2726 -9.2726 -2.6049 -2.6049 -2.6029 -2.6029 -1.0663 -1.0663 -1.0640 -1.0640 0.3971 0.3971 0.4010 0.4010 0.9375 0.9375 0.9441 0.9441 1.5828 1.5828 1.5929 1.5929 2.5380 2.5380 2.5429 2.5429 3.3816 3.3816 3.3850 3.3850 4.2799 4.2799 4.2816 4.2816 4.8885 4.8885 4.8908 4.8908 12.8081 12.8081 12.8123 12.8123 13.0411 13.0411 13.0490 13.0490 13.5538 13.5538 k = 0.1646 0.5589 0.5383 ( 4226 PWs) bands (ev): -13.4650 -13.4650 -13.4649 -13.4649 -9.8665 -9.8665 -9.8649 -9.8649 -9.2547 -9.2547 -9.2529 -9.2529 -2.5747 -2.5747 -2.5727 -2.5727 -1.1217 -1.1217 -1.1195 -1.1195 0.4259 0.4259 0.4300 0.4300 0.9247 0.9247 0.9314 0.9314 1.6077 1.6077 1.6182 1.6182 2.5228 2.5228 2.5280 2.5280 3.3913 3.3913 3.3947 3.3947 4.2934 4.2934 4.2952 4.2952 4.8608 4.8608 4.8633 4.8633 12.7986 12.7986 12.8028 12.8028 13.0503 13.0503 13.0589 13.0589 13.5489 13.5489 k = 0.1810 0.5589 0.5383 ( 4226 PWs) bands (ev): -13.4628 -13.4628 -13.4626 -13.4626 -9.8895 -9.8895 -9.8880 -9.8880 -9.2348 -9.2348 -9.2330 -9.2330 -2.5420 -2.5420 -2.5399 -2.5399 -1.1796 -1.1796 -1.1775 -1.1775 0.4546 0.4546 0.4589 0.4589 0.9122 0.9122 0.9190 0.9190 1.6332 1.6332 1.6440 1.6440 2.5074 2.5074 2.5127 2.5127 3.4006 3.4006 3.4039 3.4039 4.3082 4.3082 4.3100 4.3100 4.8318 4.8318 4.8344 4.8344 12.7885 12.7885 12.7927 12.7927 13.0591 13.0591 13.0683 13.0683 13.5443 13.5443 k = 0.1975 0.5589 0.5383 ( 4222 PWs) bands (ev): -13.4604 -13.4604 -13.4603 -13.4603 -9.9126 -9.9126 -9.9110 -9.9110 -9.2149 -9.2149 -9.2130 -9.2130 -2.5070 -2.5070 -2.5049 -2.5049 -1.2396 -1.2396 -1.2375 -1.2375 0.4830 0.4830 0.4874 0.4874 0.9002 0.9002 0.9070 0.9070 1.6591 1.6591 1.6702 1.6702 2.4919 2.4919 2.4974 2.4974 3.4091 3.4091 3.4124 3.4124 4.3241 4.3241 4.3261 4.3261 4.8021 4.8021 4.8048 4.8048 12.7776 12.7776 12.7818 12.7818 13.0672 13.0672 13.0771 13.0771 13.5401 13.5401 k = 0.2139 0.5589 0.5383 ( 4220 PWs) bands (ev): -13.4580 -13.4580 -13.4579 -13.4579 -9.9353 -9.9353 -9.9338 -9.9338 -9.1950 -9.1950 -9.1932 -9.1932 -2.4699 -2.4699 -2.4678 -2.4678 -1.3012 -1.3012 -1.2991 -1.2991 0.5107 0.5107 0.5153 0.5153 0.8889 0.8889 0.8957 0.8957 1.6850 1.6850 1.6963 1.6963 2.4766 2.4766 2.4822 2.4822 3.4167 3.4167 3.4199 3.4199 4.3408 4.3408 4.3429 4.3429 4.7721 4.7721 4.7749 4.7749 12.7658 12.7658 12.7700 12.7700 13.0747 13.0747 13.0851 13.0851 13.5367 13.5367 k = 0.2304 0.5589 0.5383 ( 4216 PWs) bands (ev): -13.4556 -13.4556 -13.4555 -13.4555 -9.9578 -9.9578 -9.9562 -9.9562 -9.1753 -9.1753 -9.1735 -9.1735 -2.4310 -2.4310 -2.4289 -2.4289 -1.3640 -1.3640 -1.3620 -1.3620 0.5375 0.5375 0.5422 0.5422 0.8785 0.8785 0.8851 0.8851 1.7105 1.7105 1.7220 1.7220 2.4619 2.4619 2.4675 2.4675 3.4232 3.4232 3.4262 3.4262 4.3580 4.3580 4.3602 4.3602 4.7427 4.7427 4.7456 4.7456 12.7529 12.7529 12.7571 12.7571 13.0813 13.0813 13.0922 13.0922 13.5343 13.5343 k = 0.2468 0.5589 0.5383 ( 4226 PWs) bands (ev): -13.4532 -13.4532 -13.4531 -13.4531 -9.9797 -9.9797 -9.9781 -9.9781 -9.1557 -9.1557 -9.1539 -9.1539 -2.3906 -2.3906 -2.3886 -2.3886 -1.4277 -1.4277 -1.4257 -1.4257 0.5632 0.5632 0.5679 0.5679 0.8689 0.8689 0.8754 0.8754 1.7352 1.7352 1.7469 1.7469 2.4480 2.4480 2.4537 2.4537 3.4286 3.4286 3.4314 3.4314 4.3749 4.3749 4.3773 4.3773 4.7148 4.7148 4.7176 4.7176 12.7388 12.7388 12.7430 12.7430 13.0869 13.0869 13.0982 13.0982 13.5331 13.5331 k = 0.2633 0.5589 0.5383 ( 4224 PWs) bands (ev): -13.4509 -13.4509 -13.4508 -13.4508 -10.0009 -10.0009 -9.9994 -9.9994 -9.1364 -9.1364 -9.1346 -9.1346 -2.3493 -2.3493 -2.3473 -2.3473 -1.4916 -1.4916 -1.4898 -1.4898 0.5875 0.5875 0.5924 0.5924 0.8605 0.8605 0.8669 0.8669 1.7587 1.7587 1.7705 1.7705 2.4354 2.4354 2.4410 2.4410 3.4327 3.4327 3.4353 3.4353 4.3905 4.3905 4.3931 4.3931 4.6897 4.6897 4.6924 4.6924 12.7234 12.7234 12.7275 12.7275 13.0914 13.0914 13.1030 13.1030 13.5335 13.5335 k = 0.2797 0.5589 0.5383 ( 4230 PWs) bands (ev): -13.4486 -13.4486 -13.4485 -13.4485 -10.0214 -10.0214 -10.0199 -10.0199 -9.1173 -9.1173 -9.1155 -9.1155 -2.3076 -2.3076 -2.3057 -2.3057 -1.5553 -1.5553 -1.5536 -1.5536 0.6103 0.6103 0.6152 0.6152 0.8534 0.8534 0.8596 0.8596 1.7804 1.7804 1.7923 1.7923 2.4245 2.4245 2.4301 2.4301 3.4355 3.4355 3.4380 3.4380 4.4033 4.4033 4.4059 4.4059 4.6693 4.6693 4.6718 4.6718 12.7066 12.7066 12.7107 12.7107 13.0945 13.0945 13.1063 13.1063 13.5356 13.5356 k = 0.2962 0.5589 0.5383 ( 4238 PWs) bands (ev): -13.4465 -13.4465 -13.4464 -13.4464 -10.0411 -10.0411 -10.0396 -10.0396 -9.0985 -9.0985 -9.0967 -9.0967 -2.2665 -2.2665 -2.2648 -2.2648 -1.6178 -1.6178 -1.6162 -1.6162 0.6312 0.6312 0.6362 0.6362 0.8479 0.8479 0.8538 0.8538 1.7997 1.7997 1.8116 1.8116 2.4159 2.4159 2.4214 2.4214 3.4371 3.4371 3.4394 3.4394 4.4111 4.4111 4.4138 4.4138 4.6558 4.6558 4.6578 4.6578 12.6884 12.6884 12.6924 12.6924 13.0962 13.0962 13.1079 13.1079 13.5397 13.5397 k = 0.3127 0.5589 0.5383 ( 4242 PWs) bands (ev): -13.4445 -13.4445 -13.4444 -13.4444 -10.0597 -10.0597 -10.0583 -10.0583 -9.0799 -9.0799 -9.0782 -9.0782 -2.2274 -2.2274 -2.2260 -2.2260 -1.6776 -1.6776 -1.6763 -1.6763 0.6500 0.6500 0.6550 0.6550 0.8442 0.8442 0.8500 0.8500 1.8158 1.8158 1.8277 1.8277 2.4103 2.4103 2.4156 2.4156 3.4375 3.4375 3.4396 3.4396 4.4120 4.4120 4.4148 4.4148 4.6512 4.6512 4.6528 4.6528 12.6687 12.6687 12.6727 12.6727 13.0962 13.0962 13.1079 13.1079 13.5459 13.5459 k = 0.3291 0.5589 0.5383 ( 4240 PWs) bands (ev): -13.4428 -13.4428 -13.4427 -13.4427 -10.0773 -10.0773 -10.0759 -10.0759 -9.0617 -9.0617 -9.0600 -9.0600 -2.1928 -2.1928 -2.1919 -2.1919 -1.7322 -1.7322 -1.7314 -1.7314 0.6661 0.6661 0.6711 0.6711 0.8430 0.8430 0.8485 0.8485 1.8281 1.8281 1.8400 1.8400 2.4082 2.4082 2.4134 2.4134 3.4368 3.4368 3.4388 3.4388 4.4052 4.4052 4.4081 4.4081 4.6565 4.6565 4.6575 4.6575 12.6475 12.6475 12.6515 12.6515 13.0945 13.0945 13.1060 13.1060 13.5540 13.5540 k = 0.3456 0.5589 0.5383 ( 4240 PWs) bands (ev): -13.4412 -13.4412 -13.4411 -13.4411 -10.0938 -10.0938 -10.0924 -10.0924 -9.0437 -9.0437 -9.0420 -9.0420 -2.1672 -2.1672 -2.1668 -2.1668 -1.7774 -1.7774 -1.7771 -1.7771 0.6790 0.6790 0.6841 0.6841 0.8446 0.8446 0.8500 0.8500 1.8358 1.8358 1.8477 1.8477 2.4102 2.4102 2.4154 2.4154 3.4352 3.4352 3.4371 3.4371 4.3919 4.3919 4.3947 4.3947 4.6703 4.6703 4.6712 4.6712 12.6249 12.6249 12.6289 12.6289 13.0911 13.0911 13.1024 13.1024 13.5639 13.5639 k = 0.3456 0.5589 0.5383 ( 4240 PWs) bands (ev): -13.4412 -13.4412 -13.4411 -13.4411 -10.0938 -10.0938 -10.0924 -10.0924 -9.0437 -9.0437 -9.0420 -9.0420 -2.1672 -2.1672 -2.1668 -2.1668 -1.7774 -1.7774 -1.7771 -1.7771 0.6790 0.6790 0.6841 0.6841 0.8446 0.8446 0.8500 0.8500 1.8358 1.8358 1.8477 1.8477 2.4102 2.4102 2.4154 2.4154 3.4352 3.4352 3.4371 3.4371 4.3919 4.3919 4.3947 4.3947 4.6703 4.6703 4.6712 4.6712 12.6249 12.6249 12.6289 12.6289 13.0911 13.0911 13.1024 13.1024 13.5639 13.5639 k = 0.3369 0.5449 0.5383 ( 4236 PWs) bands (ev): -13.4440 -13.4440 -13.4439 -13.4439 -10.0629 -10.0629 -10.0615 -10.0615 -9.0778 -9.0778 -9.0761 -9.0761 -2.2039 -2.2039 -2.2035 -2.2035 -1.7028 -1.7028 -1.7027 -1.7027 0.6566 0.6566 0.6617 0.6617 0.8384 0.8384 0.8441 0.8441 1.8263 1.8263 1.8383 1.8383 2.4024 2.4024 2.4077 2.4077 3.4389 3.4389 3.4410 3.4410 4.4230 4.4230 4.4259 4.4259 4.6375 4.6375 4.6384 4.6384 12.6677 12.6677 12.6717 12.6717 13.0982 13.0982 13.1099 13.1099 13.5453 13.5453 k = 0.3283 0.5310 0.5383 ( 4224 PWs) bands (ev): -13.4469 -13.4469 -13.4468 -13.4468 -10.0306 -10.0306 -10.0291 -10.0291 -9.1123 -9.1123 -9.1105 -9.1105 -2.2426 -2.2426 -2.2422 -2.2422 -1.6267 -1.6267 -1.6267 -1.6267 0.6319 0.6319 0.6369 0.6369 0.8323 0.8323 0.8383 0.8383 1.8181 1.8181 1.8301 1.8301 2.3954 2.3954 2.4009 2.4009 3.4423 3.4423 3.4446 3.4446 4.4555 4.4555 4.4583 4.4583 4.6056 4.6056 4.6064 4.6064 12.7069 12.7069 12.7108 12.7108 13.1030 13.1030 13.1151 13.1151 13.5309 13.5309 k = 0.3197 0.5170 0.5383 ( 4224 PWs) bands (ev): -13.4499 -13.4499 -13.4498 -13.4498 -9.9969 -9.9969 -9.9954 -9.9954 -9.1471 -9.1471 -9.1453 -9.1453 -2.2832 -2.2832 -2.2828 -2.2828 -1.5494 -1.5494 -1.5493 -1.5493 0.6048 0.6048 0.6096 0.6096 0.8264 0.8264 0.8327 0.8327 1.8114 1.8114 1.8234 1.8234 2.3892 2.3892 2.3950 2.3950 3.4453 3.4453 3.4478 3.4478 4.4893 4.4893 4.4920 4.4920 4.5747 4.5747 4.5755 4.5755 12.7406 12.7406 12.7444 12.7444 13.1048 13.1048 13.1173 13.1173 13.5223 13.5223 k = 0.3110 0.5030 0.5383 ( 4224 PWs) bands (ev): -13.4530 -13.4530 -13.4529 -13.4529 -9.9619 -9.9619 -9.9603 -9.9603 -9.1821 -9.1821 -9.1803 -9.1803 -2.3257 -2.3257 -2.3253 -2.3253 -1.4713 -1.4713 -1.4710 -1.4710 0.5753 0.5753 0.5799 0.5799 0.8206 0.8206 0.8272 0.8272 1.8064 1.8064 1.8182 1.8182 2.3841 2.3841 2.3901 2.3901 3.4479 3.4479 3.4507 3.4507 4.5242 4.5242 4.5267 4.5267 4.5453 4.5453 4.5459 4.5459 12.7675 12.7675 12.7709 12.7709 13.1030 13.1030 13.1157 13.1157 13.5209 13.5209 k = 0.3024 0.4891 0.5383 ( 4220 PWs) bands (ev): -13.4562 -13.4562 -13.4561 -13.4561 -9.9255 -9.9255 -9.9238 -9.9238 -9.2171 -9.2171 -9.2153 -9.2153 -2.3699 -2.3699 -2.3696 -2.3696 -1.3925 -1.3925 -1.3920 -1.3920 0.5436 0.5436 0.5480 0.5480 0.8150 0.8150 0.8219 0.8219 1.8030 1.8030 1.8147 1.8147 2.3802 2.3802 2.3864 2.3864 3.4503 3.4503 3.4533 3.4533 4.5164 4.5164 4.5173 4.5173 4.5604 4.5604 4.5631 4.5631 12.7861 12.7861 12.7892 12.7892 13.0970 13.0970 13.1099 13.1099 13.5278 13.5278 k = 0.2937 0.4751 0.5383 ( 4220 PWs) bands (ev): -13.4595 -13.4595 -13.4594 -13.4594 -9.8879 -9.8879 -9.8862 -9.8862 -9.2520 -9.2520 -9.2502 -9.2502 -2.4160 -2.4160 -2.4158 -2.4158 -1.3134 -1.3134 -1.3127 -1.3127 0.5097 0.5097 0.5138 0.5138 0.8096 0.8096 0.8169 0.8169 1.8014 1.8014 1.8129 1.8129 2.3776 2.3776 2.3840 2.3840 3.4522 3.4522 3.4556 3.4556 4.4895 4.4895 4.4903 4.4903 4.5974 4.5974 4.5999 4.5999 12.7957 12.7957 12.7984 12.7984 13.0863 13.0863 13.0994 13.0994 13.5436 13.5436 k = 0.2851 0.4611 0.5383 ( 4224 PWs) bands (ev): -13.4629 -13.4629 -13.4628 -13.4628 -9.8491 -9.8491 -9.8474 -9.8474 -9.2868 -9.2868 -9.2850 -9.2850 -2.4639 -2.4639 -2.4636 -2.4636 -1.2344 -1.2344 -1.2335 -1.2335 0.4738 0.4738 0.4776 0.4776 0.8046 0.8046 0.8122 0.8122 1.8016 1.8016 1.8128 1.8128 2.3764 2.3764 2.3830 2.3830 3.4540 3.4540 3.4576 3.4576 4.4639 4.4639 4.4647 4.4647 4.6352 4.6352 4.6376 4.6376 12.7966 12.7966 12.7989 12.7989 13.0707 13.0707 13.0838 13.0838 13.5679 13.5679 k = 0.2765 0.4471 0.5383 ( 4232 PWs) bands (ev): -13.4664 -13.4664 -13.4663 -13.4663 -9.8092 -9.8092 -9.8074 -9.8074 -9.3212 -9.3212 -9.3195 -9.3195 -2.5133 -2.5133 -2.5132 -2.5132 -1.1558 -1.1558 -1.1547 -1.1547 0.4361 0.4361 0.4396 0.4396 0.7999 0.7999 0.8078 0.8078 1.8035 1.8035 1.8144 1.8144 2.3767 2.3767 2.3835 2.3835 3.4555 3.4555 3.4594 3.4594 4.4399 4.4399 4.4405 4.4405 4.6737 4.6737 4.6760 4.6760 12.7895 12.7895 12.7914 12.7914 13.0499 13.0499 13.0630 13.0630 13.5993 13.5993 k = 0.2678 0.4332 0.5383 ( 4232 PWs) bands (ev): -13.4699 -13.4699 -13.4698 -13.4698 -9.7682 -9.7682 -9.7664 -9.7664 -9.3553 -9.3553 -9.3536 -9.3536 -2.5644 -2.5644 -2.5643 -2.5643 -1.0779 -1.0779 -1.0765 -1.0765 0.3968 0.3968 0.4001 0.4001 0.7955 0.7955 0.8038 0.8038 1.8071 1.8071 1.8176 1.8176 2.3786 2.3786 2.3857 2.3857 3.4568 3.4568 3.4611 3.4611 4.4173 4.4173 4.4179 4.4179 4.7128 4.7128 4.7149 4.7149 12.7758 12.7758 12.7773 12.7773 13.0240 13.0240 13.0369 13.0369 13.6361 13.6361 k = 0.2592 0.4192 0.5383 ( 4224 PWs) bands (ev): -13.4736 -13.4736 -13.4734 -13.4734 -9.7263 -9.7263 -9.7244 -9.7244 -9.3889 -9.3889 -9.3872 -9.3872 -2.6170 -2.6170 -2.6170 -2.6170 -1.0011 -1.0011 -0.9994 -0.9994 0.3562 0.3562 0.3592 0.3592 0.7915 0.7915 0.8001 0.8001 1.8123 1.8123 1.8225 1.8225 2.3822 2.3822 2.3895 2.3895 3.4582 3.4582 3.4627 3.4627 4.3963 4.3963 4.3969 4.3969 4.7524 4.7524 4.7544 4.7544 12.7570 12.7570 12.7582 12.7582 12.9931 12.9931 13.0058 13.0058 13.6761 13.6761 k = 0.2505 0.4052 0.5383 ( 4226 PWs) bands (ev): -13.4772 -13.4772 -13.4771 -13.4771 -9.6834 -9.6834 -9.6815 -9.6815 -9.4220 -9.4220 -9.4203 -9.4203 -2.6711 -2.6711 -2.6711 -2.6711 -0.9256 -0.9256 -0.9237 -0.9237 0.3146 0.3146 0.3172 0.3172 0.7880 0.7880 0.7970 0.7970 1.8190 1.8190 1.8288 1.8288 2.3875 2.3875 2.3949 2.3949 3.4595 3.4595 3.4644 3.4644 4.3768 4.3768 4.3773 4.3773 4.7924 4.7924 4.7942 4.7942 12.7345 12.7345 12.7355 12.7355 12.9575 12.9575 12.9700 12.9700 13.7171 13.7171 k = 0.2419 0.3912 0.5383 ( 4234 PWs) bands (ev): -13.4810 -13.4810 -13.4808 -13.4808 -9.6398 -9.6398 -9.6378 -9.6378 -9.4544 -9.4544 -9.4527 -9.4527 -2.7265 -2.7265 -2.7264 -2.7264 -0.8519 -0.8519 -0.8496 -0.8496 0.2721 0.2721 0.2745 0.2745 0.7850 0.7850 0.7943 0.7943 1.8272 1.8272 1.8365 1.8365 2.3944 2.3944 2.4021 2.4021 3.4610 3.4610 3.4662 3.4662 4.3588 4.3588 4.3593 4.3593 4.8325 4.8325 4.8342 4.8342 12.7095 12.7095 12.7104 12.7104 12.9177 12.9177 12.9298 12.9298 13.7567 13.7567 k = 0.2333 0.3773 0.5383 ( 4236 PWs) bands (ev): -13.4847 -13.4847 -13.4846 -13.4846 -9.5954 -9.5954 -9.5934 -9.5934 -9.4861 -9.4861 -9.4845 -9.4845 -2.7831 -2.7831 -2.7830 -2.7830 -0.7801 -0.7801 -0.7775 -0.7775 0.2292 0.2292 0.2313 0.2313 0.7826 0.7826 0.7921 0.7921 1.8365 1.8365 1.8455 1.8455 2.4031 2.4031 2.4109 2.4109 3.4627 3.4627 3.4682 3.4682 4.3423 4.3423 4.3427 4.3427 4.8727 4.8727 4.8742 4.8742 12.6832 12.6832 12.6839 12.6839 12.8742 12.8742 12.8859 12.8859 13.7927 13.7927 k = 0.2246 0.3633 0.5383 ( 4240 PWs) bands (ev): -13.4885 -13.4885 -13.4884 -13.4884 -9.5504 -9.5504 -9.5484 -9.5484 -9.5170 -9.5170 -9.5155 -9.5155 -2.8408 -2.8408 -2.8406 -2.8406 -0.7106 -0.7106 -0.7077 -0.7077 0.1860 0.1860 0.1879 0.1879 0.7807 0.7807 0.7906 0.7906 1.8471 1.8471 1.8556 1.8556 2.4133 2.4133 2.4214 2.4214 3.4648 3.4648 3.4707 3.4707 4.3272 4.3272 4.3275 4.3275 4.9128 4.9128 4.9142 4.9142 12.6563 12.6563 12.6568 12.6568 12.8274 12.8274 12.8387 12.8387 13.8229 13.8229 k = 0.2160 0.3493 0.5383 ( 4240 PWs) bands (ev): -13.4923 -13.4923 -13.4921 -13.4921 -9.5473 -9.5473 -9.5457 -9.5457 -9.5047 -9.5047 -9.5028 -9.5028 -2.8993 -2.8993 -2.8991 -2.8991 -0.6436 -0.6436 -0.6404 -0.6404 0.1429 0.1429 0.1445 0.1445 0.7795 0.7795 0.7896 0.7896 1.8586 1.8586 1.8667 1.8667 2.4250 2.4250 2.4333 2.4333 3.4674 3.4674 3.4736 3.4736 4.3134 4.3134 4.3137 4.3137 4.9528 4.9528 4.9540 4.9540 12.6296 12.6296 12.6300 12.6300 12.7779 12.7779 12.7888 12.7888 13.8453 13.8453 k = 0.2073 0.3353 0.5383 ( 4248 PWs) bands (ev): -13.4960 -13.4960 -13.4959 -13.4959 -9.5765 -9.5765 -9.5749 -9.5749 -9.4588 -9.4588 -9.4569 -9.4569 -2.9587 -2.9587 -2.9584 -2.9584 -0.5795 -0.5795 -0.5759 -0.5759 0.1000 0.1000 0.1013 0.1013 0.7790 0.7790 0.7894 0.7894 1.8709 1.8709 1.8787 1.8787 2.4381 2.4381 2.4466 2.4466 3.4707 3.4707 3.4772 3.4772 4.3009 4.3009 4.3011 4.3011 4.9924 4.9924 4.9934 4.9934 12.6036 12.6036 12.6039 12.6039 12.7263 12.7263 12.7367 12.7367 13.8580 13.8580 k = 0.1987 0.3214 0.5383 ( 4252 PWs) bands (ev): -13.4998 -13.4998 -13.4997 -13.4997 -9.6049 -9.6049 -9.6033 -9.6033 -9.4126 -9.4126 -9.4107 -9.4107 -3.0186 -3.0186 -3.0183 -3.0183 -0.5184 -0.5184 -0.5145 -0.5145 0.0576 0.0576 0.0587 0.0587 0.7792 0.7792 0.7898 0.7898 1.8840 1.8840 1.8914 1.8914 2.4524 2.4524 2.4610 2.4610 3.4749 3.4749 3.4817 3.4817 4.2897 4.2897 4.2898 4.2898 5.0315 5.0315 5.0324 5.0324 12.5787 12.5787 12.5790 12.5790 12.6732 12.6732 12.6831 12.6831 13.8601 13.8601 k = 0.1901 0.3074 0.5383 ( 4252 PWs) bands (ev): -13.5035 -13.5035 -13.5034 -13.5034 -9.6322 -9.6322 -9.6307 -9.6307 -9.3663 -9.3663 -9.3643 -9.3643 -3.0789 -3.0789 -3.0785 -3.0785 -0.4605 -0.4605 -0.4563 -0.4563 0.0159 0.0159 0.0169 0.0169 0.7803 0.7803 0.7910 0.7910 1.8977 1.8977 1.9047 1.9047 2.4677 2.4677 2.4764 2.4764 3.4800 3.4800 3.4871 3.4871 4.2796 4.2796 4.2797 4.2797 5.0701 5.0701 5.0708 5.0708 12.5554 12.5554 12.5556 12.5556 12.6190 12.6190 12.6284 12.6284 13.8510 13.8510 k = 0.1814 0.2934 0.5383 ( 4248 PWs) bands (ev): -13.5072 -13.5072 -13.5071 -13.5071 -9.6585 -9.6585 -9.6571 -9.6571 -9.3199 -9.3199 -9.3180 -9.3180 -3.1394 -3.1394 -3.1390 -3.1390 -0.4060 -0.4060 -0.4015 -0.4015 -0.0249 -0.0249 -0.0241 -0.0241 0.7821 0.7821 0.7930 0.7930 1.9119 1.9119 1.9184 1.9184 2.4837 2.4837 2.4925 2.4925 3.4863 3.4863 3.4936 3.4936 4.2707 4.2707 4.2707 4.2707 5.1079 5.1079 5.1085 5.1085 12.5337 12.5337 12.5340 12.5340 12.5644 12.5644 12.5731 12.5731 13.8314 13.8314 k = 0.1728 0.2795 0.5383 ( 4244 PWs) bands (ev): -13.5109 -13.5109 -13.5108 -13.5108 -9.6838 -9.6838 -9.6824 -9.6824 -9.2737 -9.2737 -9.2718 -9.2718 -3.1998 -3.1998 -3.1993 -3.1993 -0.3551 -0.3551 -0.3503 -0.3503 -0.0646 -0.0646 -0.0640 -0.0640 0.7848 0.7848 0.7958 0.7958 1.9263 1.9263 1.9325 1.9325 2.5001 2.5001 2.5090 2.5090 3.4938 3.4938 3.5014 3.5014 4.2627 4.2627 4.2627 4.2627 5.1449 5.1449 5.1453 5.1453 12.5068 12.5068 12.5139 12.5139 12.5170 12.5170 12.5183 12.5183 13.8024 13.8024 k = 0.1641 0.2655 0.5383 ( 4244 PWs) bands (ev): -13.5144 -13.5144 -13.5143 -13.5143 -9.7080 -9.7080 -9.7067 -9.7067 -9.2278 -9.2278 -9.2259 -9.2259 -3.2600 -3.2600 -3.2594 -3.2594 -0.3077 -0.3077 -0.3027 -0.3027 -0.1031 -0.1031 -0.1026 -0.1026 0.7884 0.7884 0.7994 0.7994 1.9410 1.9410 1.9468 1.9468 2.5167 2.5167 2.5256 2.5256 3.5028 3.5028 3.5105 3.5105 4.2557 4.2557 4.2557 4.2557 5.1809 5.1809 5.1812 5.1812 12.4537 12.4537 12.4623 12.4623 12.4977 12.4977 12.4983 12.4983 13.7657 13.7657 k = 0.1555 0.2515 0.5383 ( 4244 PWs) bands (ev): -13.5179 -13.5179 -13.5178 -13.5178 -9.7311 -9.7311 -9.7298 -9.7298 -9.1823 -9.1823 -9.1805 -9.1805 -3.3196 -3.3196 -3.3190 -3.3190 -0.2639 -0.2639 -0.2588 -0.2588 -0.1401 -0.1401 -0.1397 -0.1397 0.7928 0.7928 0.8038 0.8038 1.9557 1.9557 1.9612 1.9612 2.5332 2.5332 2.5420 2.5420 3.5133 3.5133 3.5211 3.5211 4.2495 4.2495 4.2496 4.2496 5.2158 5.2158 5.2159 5.2159 12.3998 12.3998 12.4078 12.4078 12.4829 12.4829 12.4834 12.4834 13.7232 13.7232 k = 0.1469 0.2375 0.5383 ( 4240 PWs) bands (ev): -13.5213 -13.5213 -13.5212 -13.5212 -9.7530 -9.7530 -9.7518 -9.7518 -9.1375 -9.1375 -9.1357 -9.1357 -3.3784 -3.3784 -3.3777 -3.3777 -0.2240 -0.2240 -0.2185 -0.2185 -0.1755 -0.1755 -0.1754 -0.1754 0.7981 0.7981 0.8089 0.8089 1.9703 1.9703 1.9755 1.9755 2.5492 2.5492 2.5579 2.5579 3.5253 3.5253 3.5333 3.5333 4.2442 4.2442 4.2443 4.2443 5.2495 5.2495 5.2495 5.2495 12.3468 12.3468 12.3543 12.3543 12.4707 12.4707 12.4712 12.4712 13.6767 13.6767 k = 0.1382 0.2236 0.5383 ( 4244 PWs) bands (ev): -13.5246 -13.5246 -13.5245 -13.5245 -9.7738 -9.7738 -9.7727 -9.7727 -9.0936 -9.0936 -9.0918 -9.0918 -3.4361 -3.4361 -3.4354 -3.4354 -0.2103 -0.2103 -0.2095 -0.2095 -0.1866 -0.1866 -0.1818 -0.1818 0.8041 0.8041 0.8148 0.8148 1.9848 1.9848 1.9896 1.9896 2.5645 2.5645 2.5731 2.5731 3.5390 3.5390 3.5469 3.5469 4.2396 4.2396 4.2398 4.2398 5.2817 5.2817 5.2818 5.2818 12.2951 12.2951 12.3021 12.3021 12.4609 12.4609 12.4616 12.4616 13.6277 13.6277 k = 0.1296 0.2096 0.5383 ( 4240 PWs) bands (ev): -13.5277 -13.5277 -13.5276 -13.5276 -9.7934 -9.7934 -9.7923 -9.7923 -9.0507 -9.0507 -9.0490 -9.0490 -3.4924 -3.4924 -3.4918 -3.4918 -0.2421 -0.2421 -0.2418 -0.2418 -0.1539 -0.1539 -0.1487 -0.1487 0.8108 0.8108 0.8212 0.8212 1.9991 1.9991 2.0035 2.0035 2.5789 2.5789 2.5873 2.5873 3.5541 3.5541 3.5619 3.5619 4.2357 4.2357 4.2359 4.2359 5.3125 5.3125 5.3127 5.3127 12.2451 12.2451 12.2516 12.2516 12.4537 12.4537 12.4544 12.4544 13.5777 13.5777 k = 0.1209 0.1956 0.5383 ( 4240 PWs) bands (ev): -13.5308 -13.5308 -13.5307 -13.5307 -9.8118 -9.8118 -9.8108 -9.8108 -9.0091 -9.0091 -9.0074 -9.0074 -3.5471 -3.5471 -3.5464 -3.5464 -0.2725 -0.2725 -0.2722 -0.2722 -0.1242 -0.1242 -0.1190 -0.1190 0.8182 0.8182 0.8282 0.8282 2.0129 2.0129 2.0170 2.0170 2.5922 2.5922 2.6003 2.6003 3.5706 3.5706 3.5783 3.5783 4.2324 4.2324 4.2326 4.2326 5.3417 5.3417 5.3420 5.3420 12.1970 12.1970 12.2031 12.2031 12.4489 12.4489 12.4496 12.4496 13.5277 13.5277 k = 0.1123 0.1816 0.5383 ( 4228 PWs) bands (ev): -13.5336 -13.5336 -13.5335 -13.5335 -9.8290 -9.8290 -9.8280 -9.8280 -8.9689 -8.9689 -8.9673 -8.9673 -3.5998 -3.5998 -3.5992 -3.5992 -0.3010 -0.3010 -0.3008 -0.3008 -0.0976 -0.0976 -0.0926 -0.0926 0.8260 0.8260 0.8356 0.8356 2.0262 2.0262 2.0301 2.0301 2.6043 2.6043 2.6120 2.6120 3.5883 3.5883 3.5958 3.5958 4.2297 4.2297 4.2299 4.2299 5.3694 5.3694 5.3697 5.3697 12.1511 12.1511 12.1568 12.1568 12.4463 12.4463 12.4470 12.4470 13.4789 13.4789 k = 0.1037 0.1677 0.5383 ( 4222 PWs) bands (ev): -13.5363 -13.5363 -13.5363 -13.5363 -9.8449 -9.8449 -9.8441 -9.8441 -8.9304 -8.9304 -8.9289 -8.9289 -3.6503 -3.6503 -3.6496 -3.6496 -0.3276 -0.3276 -0.3275 -0.3275 -0.0741 -0.0741 -0.0693 -0.0693 0.8341 0.8341 0.8433 0.8433 2.0390 2.0390 2.0425 2.0425 2.6150 2.6150 2.6224 2.6224 3.6069 3.6069 3.6141 3.6141 4.2274 4.2274 4.2276 4.2276 5.3953 5.3953 5.3957 5.3957 12.1077 12.1077 12.1129 12.1129 12.4458 12.4458 12.4465 12.4465 13.4320 13.4320 k = 0.0950 0.1537 0.5383 ( 4226 PWs) bands (ev): -13.5389 -13.5389 -13.5388 -13.5388 -9.8596 -9.8596 -9.8588 -9.8588 -8.8939 -8.8939 -8.8924 -8.8924 -3.6982 -3.6982 -3.6975 -3.6975 -0.3522 -0.3522 -0.3522 -0.3522 -0.0535 -0.0535 -0.0489 -0.0489 0.8425 0.8425 0.8511 0.8511 2.0511 2.0511 2.0543 2.0543 2.6244 2.6244 2.6313 2.6313 3.6262 3.6262 3.6330 3.6330 4.2255 4.2255 4.2257 4.2257 5.4194 5.4194 5.4198 5.4198 12.0669 12.0669 12.0717 12.0717 12.4470 12.4470 12.4478 12.4478 13.3878 13.3878 k = 0.0864 0.1397 0.5383 ( 4218 PWs) bands (ev): -13.5412 -13.5412 -13.5412 -13.5412 -9.8731 -9.8731 -9.8724 -9.8724 -8.8595 -8.8595 -8.8581 -8.8581 -3.7432 -3.7432 -3.7426 -3.7426 -0.3748 -0.3748 -0.3748 -0.3748 -0.0354 -0.0354 -0.0311 -0.0311 0.8509 0.8509 0.8588 0.8588 2.0625 2.0625 2.0654 2.0654 2.6325 2.6325 2.6389 2.6389 3.6456 3.6456 3.6520 3.6520 4.2240 4.2240 4.2243 4.2243 5.4416 5.4416 5.4421 5.4421 12.0291 12.0291 12.0334 12.0334 12.4498 12.4498 12.4506 12.4506 13.3468 13.3468 k = 0.0778 0.1258 0.5383 ( 4218 PWs) bands (ev): -13.5434 -13.5434 -13.5433 -13.5433 -9.8853 -9.8853 -9.8846 -9.8846 -8.8275 -8.8275 -8.8262 -8.8262 -3.7850 -3.7850 -3.7844 -3.7844 -0.3954 -0.3954 -0.3953 -0.3953 -0.0198 -0.0198 -0.0158 -0.0158 0.8591 0.8591 0.8664 0.8664 2.0730 2.0730 2.0756 2.0756 2.6394 2.6394 2.6452 2.6452 3.6649 3.6649 3.6708 3.6708 4.2229 4.2229 4.2231 4.2231 5.4619 5.4619 5.4624 5.4624 11.9943 11.9943 11.9982 11.9982 12.4537 12.4537 12.4545 12.4545 13.3095 13.3095 k = 0.0691 0.1118 0.5383 ( 4218 PWs) bands (ev): -13.5454 -13.5454 -13.5453 -13.5453 -9.8962 -9.8962 -9.8956 -9.8956 -8.7981 -8.7981 -8.7970 -8.7970 -3.8234 -3.8234 -3.8228 -3.8228 -0.4138 -0.4138 -0.4138 -0.4138 -0.0064 -0.0064 -0.0028 -0.0028 0.8670 0.8670 0.8736 0.8736 2.0826 2.0826 2.0849 2.0849 2.6451 2.6451 2.6504 2.6504 3.6837 3.6837 3.6890 3.6890 4.2220 4.2220 4.2222 4.2222 5.4802 5.4802 5.4807 5.4807 11.9627 11.9627 11.9662 11.9662 12.4584 12.4584 12.4591 12.4591 13.2761 13.2761 k = 0.0605 0.0978 0.5383 ( 4214 PWs) bands (ev): -13.5471 -13.5471 -13.5471 -13.5471 -9.9059 -9.9059 -9.9053 -9.9053 -8.7715 -8.7715 -8.7705 -8.7705 -3.8580 -3.8580 -3.8575 -3.8575 -0.4301 -0.4301 -0.4301 -0.4301 0.0050 0.0050 0.0082 0.0082 0.8745 0.8745 0.8803 0.8803 2.0913 2.0913 2.0933 2.0933 2.6498 2.6498 2.6545 2.6545 3.7014 3.7014 3.7062 3.7062 4.2213 4.2213 4.2215 4.2215 5.4964 5.4964 5.4969 5.4969 11.9345 11.9345 11.9376 11.9376 12.4635 12.4635 12.4642 12.4642 13.2471 13.2471 k = 0.0518 0.0838 0.5383 ( 4214 PWs) bands (ev): -13.5487 -13.5487 -13.5486 -13.5486 -9.9142 -9.9142 -9.9138 -9.9138 -8.7480 -8.7480 -8.7471 -8.7471 -3.8885 -3.8885 -3.8881 -3.8881 -0.4443 -0.4443 -0.4443 -0.4443 0.0145 0.0145 0.0173 0.0173 0.8813 0.8813 0.8864 0.8864 2.0990 2.0990 2.1007 2.1007 2.6536 2.6536 2.6576 2.6576 3.7178 3.7178 3.7219 3.7219 4.2208 4.2208 4.2209 4.2209 5.5106 5.5106 5.5111 5.5111 11.9099 11.9099 11.9125 11.9125 12.4687 12.4687 12.4692 12.4692 13.2224 13.2224 k = 0.0432 0.0699 0.5383 ( 4218 PWs) bands (ev): -13.5500 -13.5500 -13.5499 -13.5499 -9.9213 -9.9213 -9.9209 -9.9209 -8.7277 -8.7277 -8.7270 -8.7270 -3.9148 -3.9148 -3.9145 -3.9145 -0.4563 -0.4563 -0.4563 -0.4563 0.0223 0.0223 0.0247 0.0247 0.8874 0.8874 0.8917 0.8917 2.1055 2.1055 2.1069 2.1069 2.6566 2.6566 2.6600 2.6600 3.7324 3.7324 3.7359 3.7359 4.2204 4.2204 4.2205 4.2205 5.5227 5.5227 5.5231 5.5231 11.8888 11.8888 11.8910 11.8910 12.4735 12.4735 12.4740 12.4740 13.2021 13.2021 k = 0.0346 0.0559 0.5383 ( 4210 PWs) bands (ev): -13.5511 -13.5511 -13.5510 -13.5510 -9.9271 -9.9271 -9.9268 -9.9268 -8.7109 -8.7109 -8.7103 -8.7103 -3.9367 -3.9367 -3.9363 -3.9363 -0.4661 -0.4661 -0.4661 -0.4661 0.0286 0.0286 0.0305 0.0305 0.8927 0.8927 0.8961 0.8961 2.1110 2.1110 2.1121 2.1121 2.6589 2.6589 2.6616 2.6616 3.7449 3.7449 3.7477 3.7477 4.2202 4.2202 4.2203 4.2203 5.5326 5.5326 5.5329 5.5329 11.8715 11.8715 11.8733 11.8733 12.4778 12.4778 12.4782 12.4782 13.1859 13.1859 k = 0.0259 0.0419 0.5383 ( 4206 PWs) bands (ev): -13.5519 -13.5519 -13.5519 -13.5519 -9.9316 -9.9316 -9.9314 -9.9314 -8.6976 -8.6976 -8.6971 -8.6971 -3.9538 -3.9538 -3.9536 -3.9536 -0.4738 -0.4738 -0.4738 -0.4738 0.0334 0.0334 0.0348 0.0348 0.8969 0.8969 0.8995 0.8995 2.1153 2.1153 2.1162 2.1162 2.6607 2.6607 2.6628 2.6628 3.7550 3.7550 3.7571 3.7571 4.2200 4.2200 4.2201 4.2201 5.5403 5.5403 5.5406 5.5406 11.8581 11.8581 11.8594 11.8594 12.4813 12.4813 12.4816 12.4816 13.1738 13.1738 k = 0.0173 0.0279 0.5383 ( 4206 PWs) bands (ev): -13.5525 -13.5525 -13.5525 -13.5525 -9.9348 -9.9348 -9.9346 -9.9346 -8.6880 -8.6880 -8.6877 -8.6877 -3.9662 -3.9662 -3.9660 -3.9660 -0.4793 -0.4793 -0.4793 -0.4793 0.0368 0.0368 0.0378 0.0378 0.9002 0.9002 0.9019 0.9019 2.1185 2.1185 2.1190 2.1190 2.6620 2.6620 2.6634 2.6634 3.7625 3.7625 3.7639 3.7639 4.2199 4.2199 4.2200 4.2200 5.5459 5.5459 5.5460 5.5460 11.8484 11.8484 11.8493 11.8493 12.4839 12.4839 12.4841 12.4841 13.1654 13.1654 k = 0.0086 0.0140 0.5383 ( 4206 PWs) bands (ev): -13.5529 -13.5529 -13.5529 -13.5529 -9.9367 -9.9367 -9.9366 -9.9366 -8.6822 -8.6822 -8.6820 -8.6820 -3.9736 -3.9736 -3.9735 -3.9735 -0.4826 -0.4826 -0.4826 -0.4826 0.0389 0.0389 0.0394 0.0394 0.9023 0.9023 0.9032 0.9032 2.1204 2.1204 2.1207 2.1207 2.6629 2.6629 2.6636 2.6636 3.7672 3.7672 3.7679 3.7679 4.2198 4.2198 4.2199 4.2199 5.5492 5.5492 5.5493 5.5493 11.8427 11.8427 11.8432 11.8432 12.4855 12.4855 12.4856 12.4856 13.1605 13.1606 k = 0.0000 0.0000 0.5383 ( 4212 PWs) bands (ev): -13.5530 -13.5530 -13.5530 -13.5530 -9.9373 -9.9373 -9.9373 -9.9373 -8.6802 -8.6802 -8.6802 -8.6802 -3.9761 -3.9761 -3.9761 -3.9761 -0.4837 -0.4837 -0.4837 -0.4837 0.0398 0.0398 0.0398 0.0398 0.9033 0.9033 0.9033 0.9033 2.1212 2.1212 2.1212 2.1212 2.6634 2.6634 2.6634 2.6634 3.7690 3.7690 3.7690 3.7690 4.2198 4.2198 4.2198 4.2198 5.5504 5.5504 5.5504 5.5504 11.8410 11.8410 11.8410 11.8410 12.4861 12.4861 12.4861 12.4861 13.1590 13.1590 k = 0.0000 0.0000 0.5383 ( 4212 PWs) bands (ev): -13.5530 -13.5530 -13.5530 -13.5530 -9.9373 -9.9373 -9.9373 -9.9373 -8.6802 -8.6802 -8.6802 -8.6802 -3.9761 -3.9761 -3.9761 -3.9761 -0.4837 -0.4837 -0.4837 -0.4837 0.0398 0.0398 0.0398 0.0398 0.9033 0.9033 0.9033 0.9033 2.1212 2.1212 2.1212 2.1212 2.6634 2.6634 2.6634 2.6634 3.7690 3.7690 3.7690 3.7690 4.2198 4.2198 4.2198 4.2198 5.5504 5.5504 5.5504 5.5504 11.8410 11.8410 11.8410 11.8410 12.4861 12.4861 12.4861 12.4861 13.1590 13.1590 k = 0.0000 0.0000 0.5220 ( 4206 PWs) bands (ev): -13.5662 -13.5662 -13.5399 -13.5399 -9.9805 -9.9805 -9.8930 -9.8930 -8.6854 -8.6854 -8.6756 -8.6756 -3.9780 -3.9780 -3.9716 -3.9716 -0.5021 -0.5021 -0.4646 -0.4646 -0.0437 -0.0437 0.1099 0.1099 0.8846 0.8846 0.9351 0.9351 2.0950 2.0950 2.1429 2.1429 2.6604 2.6604 2.6681 2.6681 3.7580 3.7580 3.7799 3.7799 4.1934 4.1934 4.2448 4.2448 5.5314 5.5314 5.5684 5.5684 11.8382 11.8382 11.8537 11.8537 12.4743 12.4743 12.4977 12.4977 13.1056 13.1056 k = 0.0000 0.0000 0.5057 ( 4206 PWs) bands (ev): -13.5795 -13.5795 -13.5269 -13.5269 -10.0225 -10.0225 -9.8476 -9.8476 -8.6911 -8.6911 -8.6715 -8.6715 -3.9774 -3.9774 -3.9646 -3.9646 -0.5199 -0.5199 -0.4451 -0.4451 -0.1381 -0.1381 0.1652 0.1652 0.8768 0.8768 0.9810 0.9810 2.0645 2.0645 2.1601 2.1601 2.6589 2.6589 2.6749 2.6749 3.7468 3.7468 3.7905 3.7905 4.1655 4.1655 4.2683 4.2683 5.5114 5.5114 5.5854 5.5854 11.8453 11.8453 11.8763 11.8763 12.4633 12.4633 12.5077 12.5077 13.0524 13.0524 k = 0.0000 0.0000 0.4893 ( 4198 PWs) bands (ev): -13.5929 -13.5929 -13.5141 -13.5141 -10.0634 -10.0634 -9.8013 -9.8013 -8.6974 -8.6974 -8.6681 -8.6681 -3.9744 -3.9744 -3.9551 -3.9551 -0.5368 -0.5368 -0.4251 -0.4251 -0.2407 -0.2407 0.2054 0.2054 0.8778 0.8778 1.0408 1.0408 2.0297 2.0297 2.1727 2.1727 2.6585 2.6585 2.6839 2.6839 3.7355 3.7355 3.8010 3.8010 4.1365 4.1365 4.2902 4.2902 5.4906 5.4906 5.6013 5.6013 11.8623 11.8623 11.9087 11.9087 12.4537 12.4537 12.5137 12.5137 13.0025 13.0025 k = 0.0000 0.0000 0.4730 ( 4198 PWs) bands (ev): -13.6063 -13.6063 -13.5015 -13.5015 -10.1030 -10.1030 -9.7540 -9.7540 -8.7042 -8.7042 -8.6653 -8.6653 -3.9690 -3.9690 -3.9429 -3.9429 -0.5530 -0.5530 -0.4049 -0.4049 -0.3493 -0.3493 0.2320 0.2320 0.8855 0.8855 1.1124 1.1124 1.9910 1.9910 2.1805 2.1805 2.6591 2.6591 2.6955 2.6955 3.7241 3.7241 3.8113 3.8113 4.1063 4.1063 4.3107 4.3107 5.4690 5.4690 5.6162 5.6162 11.8891 11.8891 11.9505 11.9505 12.4458 12.4458 12.5123 12.5123 12.9602 12.9602 k = 0.0000 0.0000 0.4567 ( 4200 PWs) bands (ev): -13.6196 -13.6196 -13.4892 -13.4892 -10.1413 -10.1413 -9.7059 -9.7059 -8.7114 -8.7114 -8.6631 -8.6631 -3.9614 -3.9614 -3.9282 -3.9282 -0.5681 -0.5681 -0.4625 -0.4625 -0.3840 -0.3840 0.2476 0.2476 0.8984 0.8984 1.1929 1.1929 1.9483 1.9483 2.1835 2.1835 2.6605 2.6605 2.7103 2.7103 3.7127 3.7127 3.8214 3.8214 4.0753 4.0753 4.3298 4.3298 5.4467 5.4467 5.6300 5.6300 11.9255 11.9255 12.0015 12.0015 12.4398 12.4398 12.4993 12.4993 12.9301 12.9301 k = 0.0000 0.0000 0.4404 ( 4212 PWs) bands (ev): -13.6329 -13.6329 -13.4771 -13.4771 -10.1783 -10.1783 -9.6570 -9.6570 -8.7191 -8.7191 -8.6614 -8.6614 -3.9517 -3.9517 -3.9110 -3.9110 -0.5823 -0.5823 -0.5779 -0.5779 -0.3633 -0.3633 0.2546 0.2546 0.9153 0.9153 1.2790 1.2790 1.9019 1.9019 2.1817 2.1817 2.6624 2.6624 2.7285 2.7285 3.7011 3.7011 3.8313 3.8313 4.0438 4.0438 4.3477 4.3477 5.4237 5.4237 5.6427 5.6427 11.9711 11.9711 12.0613 12.0613 12.4357 12.4357 12.4718 12.4718 12.9159 12.9159 k = 0.0000 0.0000 0.4241 ( 4208 PWs) bands (ev): -13.6462 -13.6462 -13.4653 -13.4653 -10.2141 -10.2141 -9.6075 -9.6075 -8.7271 -8.7271 -8.6603 -8.6603 -3.9400 -3.9400 -3.8913 -3.8913 -0.6952 -0.6952 -0.5951 -0.5951 -0.3424 -0.3424 0.2554 0.2554 0.9353 0.9353 1.3678 1.3678 1.8521 1.8521 2.1750 2.1750 2.6647 2.6647 2.7506 2.7506 3.6896 3.6896 3.8411 3.8411 4.0121 4.0121 4.3644 4.3644 5.4003 5.4003 5.6544 5.6544 12.0257 12.0257 12.1296 12.1296 12.4295 12.4295 12.4338 12.4338 12.9180 12.9180 k = 0.0000 0.0000 0.4078 ( 4216 PWs) bands (ev): -13.6593 -13.6593 -13.4538 -13.4538 -10.2485 -10.2485 -9.5574 -9.5574 -8.7355 -8.7355 -8.6598 -8.6598 -3.9264 -3.9264 -3.8693 -3.8693 -0.8131 -0.8131 -0.6069 -0.6069 -0.3215 -0.3215 0.2516 0.2516 0.9579 0.9579 1.4568 1.4568 1.7989 1.7989 2.1635 2.1635 2.6671 2.6671 2.7772 2.7772 3.6780 3.6780 3.8506 3.8506 3.9805 3.9805 4.3801 4.3801 5.3764 5.3764 5.6651 5.6651 12.0889 12.0889 12.2058 12.2058 12.3757 12.3757 12.4335 12.4335 12.9340 12.9340 k = 0.0000 0.0000 0.3915 ( 4226 PWs) bands (ev): -13.6722 -13.6722 -13.4426 -13.4426 -10.2815 -10.2815 -9.5068 -9.5068 -8.7441 -8.7441 -8.6598 -8.6598 -3.9110 -3.9110 -3.8450 -3.8450 -0.9311 -0.9311 -0.6173 -0.6173 -0.3007 -0.3007 0.2447 0.2447 0.9825 0.9825 1.5440 1.5440 1.7427 1.7427 2.1470 2.1470 2.6695 2.6695 2.8086 2.8086 3.6665 3.6665 3.8598 3.8598 3.9494 3.9494 4.3950 4.3950 5.3522 5.3522 5.6749 5.6749 12.1602 12.1602 12.2893 12.2893 12.3135 12.3135 12.4351 12.4351 12.9606 12.9606 k = 0.0000 0.0000 0.3752 ( 4232 PWs) bands (ev): -13.6850 -13.6850 -13.4317 -13.4317 -10.3132 -10.3132 -9.4560 -9.4560 -8.7530 -8.7530 -8.6603 -8.6603 -3.8942 -3.8942 -3.8185 -3.8185 -1.0483 -1.0483 -0.6264 -0.6264 -0.2799 -0.2799 0.2356 0.2356 1.0087 1.0087 1.6277 1.6277 1.6837 1.6837 2.1258 2.1258 2.6717 2.6717 2.8454 2.8454 3.6550 3.6550 3.8687 3.8687 3.9192 3.9192 4.4091 4.4091 5.3279 5.3279 5.6837 5.6837 12.2389 12.2389 12.2462 12.2462 12.3797 12.3797 12.4385 12.4385 12.9951 12.9951 k = 0.0000 0.0000 0.3588 ( 4232 PWs) bands (ev): -13.6975 -13.6975 -13.4212 -13.4212 -10.3435 -10.3435 -9.4049 -9.4049 -8.7620 -8.7620 -8.6612 -8.6612 -3.8759 -3.8759 -3.7901 -3.7901 -1.1645 -1.1645 -0.6340 -0.6340 -0.2593 -0.2593 0.2249 0.2249 1.0362 1.0362 1.6223 1.6223 1.7067 1.7067 2.1000 2.1000 2.6736 2.6736 2.8877 2.8877 3.6437 3.6437 3.8759 3.8759 3.8917 3.8917 4.4226 4.4226 5.3035 5.3035 5.6918 5.6918 12.1749 12.1749 12.3256 12.3256 12.4433 12.4433 12.4761 12.4761 13.0355 13.0355 k = 0.0000 0.0000 0.3425 ( 4238 PWs) bands (ev): -13.7098 -13.7098 -13.4111 -13.4111 -10.3725 -10.3725 -9.3538 -9.3538 -8.7711 -8.7711 -8.6625 -8.6625 -3.8565 -3.8565 -3.7597 -3.7597 -1.2790 -1.2790 -0.6401 -0.6401 -0.2390 -0.2390 0.2133 0.2133 1.0648 1.0648 1.5587 1.5587 1.7798 1.7798 2.0697 2.0697 2.6750 2.6750 2.9358 2.9358 3.6325 3.6325 3.8595 3.8595 3.8888 3.8888 4.4356 4.4356 5.2792 5.2792 5.6991 5.6991 12.1022 12.1022 12.4186 12.4186 12.4496 12.4496 12.5772 12.5772 13.0804 13.0804 k = 0.0000 0.0000 0.3262 ( 4242 PWs) bands (ev): -13.7218 -13.7218 -13.4013 -13.4013 -10.4000 -10.4000 -9.3029 -9.3029 -8.7803 -8.7803 -8.6642 -8.6642 -3.8360 -3.8360 -3.7277 -3.7277 -1.3915 -1.3915 -0.6446 -0.6446 -0.2189 -0.2189 0.2012 0.2012 1.0942 1.0942 1.4933 1.4933 1.8466 1.8466 2.0352 2.0352 2.6757 2.6757 2.9894 2.9894 3.6215 3.6215 3.8335 3.8335 3.8969 3.8969 4.4482 4.4482 5.2551 5.2551 5.7058 5.7058 12.0288 12.0288 12.4570 12.4570 12.5177 12.5177 12.6818 12.6818 13.1289 13.1289 k = 0.0000 0.0000 0.3099 ( 4240 PWs) bands (ev): -13.7334 -13.7334 -13.3920 -13.3920 -10.4262 -10.4262 -9.2522 -9.2522 -8.7895 -8.7895 -8.6662 -8.6662 -3.8147 -3.8147 -3.6942 -3.6942 -1.5016 -1.5016 -0.6476 -0.6476 -0.1992 -0.1992 0.1887 0.1887 1.1243 1.1243 1.4265 1.4265 1.9069 1.9069 1.9968 1.9968 2.6757 2.6757 3.0481 3.0481 3.6108 3.6108 3.8086 3.8086 3.9054 3.9054 4.4605 4.4605 5.2313 5.2313 5.7119 5.7119 11.9553 11.9553 12.4653 12.4653 12.6223 12.6223 12.7874 12.7874 13.1803 13.1803 k = 0.0000 0.0000 0.2936 ( 4234 PWs) bands (ev): -13.7447 -13.7447 -13.3831 -13.3831 -10.4510 -10.4510 -9.2020 -9.2020 -8.7986 -8.7986 -8.6685 -8.6685 -3.7929 -3.7929 -3.6595 -3.6595 -1.6089 -1.6089 -0.6489 -0.6489 -0.1798 -0.1798 0.1762 0.1762 1.1548 1.1548 1.3586 1.3586 1.9547 1.9547 1.9608 1.9608 2.6749 2.6749 3.1112 3.1112 3.6005 3.6005 3.7853 3.7853 3.9140 3.9140 4.4725 4.4725 5.2080 5.2080 5.7175 5.7175 11.8823 11.8823 12.4742 12.4742 12.7319 12.7319 12.8894 12.8894 13.2337 13.2337 k = 0.0000 0.0000 0.2773 ( 4228 PWs) bands (ev): -13.7556 -13.7556 -13.3746 -13.3746 -10.4745 -10.4745 -9.1525 -9.1525 -8.8075 -8.8075 -8.6710 -8.6710 -3.7707 -3.7707 -3.6237 -3.6237 -1.7131 -1.7131 -0.6485 -0.6485 -0.1608 -0.1608 0.1637 0.1637 1.1856 1.1856 1.2900 1.2900 1.9099 1.9099 2.0081 2.0081 2.6731 2.6731 3.1776 3.1776 3.5906 3.5906 3.7639 3.7639 3.9225 3.9225 4.4842 4.4842 5.1852 5.1852 5.7228 5.7228 11.8103 11.8103 12.4835 12.4835 12.8457 12.8457 12.9770 12.9770 13.2882 13.2882 k = 0.0000 0.0000 0.2610 ( 4230 PWs) bands (ev): -13.7660 -13.7660 -13.3666 -13.3666 -10.4965 -10.4965 -9.1039 -9.1039 -8.8163 -8.8163 -8.6737 -8.6737 -3.7483 -3.7483 -3.5872 -3.5872 -1.8138 -1.8138 -0.6466 -0.6466 -0.1422 -0.1422 0.1516 0.1516 1.2158 1.2158 1.2220 1.2220 1.8624 1.8624 2.0500 2.0500 2.6703 2.6703 3.2463 3.2463 3.5814 3.5814 3.7443 3.7443 3.9308 3.9308 4.4957 4.4957 5.1631 5.1631 5.7277 5.7277 11.7398 11.7398 12.4930 12.4930 12.9631 12.9631 13.0283 13.0283 13.2974 13.2974 k = 0.0000 0.0000 0.2447 ( 4234 PWs) bands (ev): -13.7760 -13.7760 -13.3590 -13.3590 -10.5172 -10.5172 -9.0565 -9.0565 -8.8249 -8.8249 -8.6765 -8.6765 -3.7259 -3.7259 -3.5502 -3.5502 -1.9106 -1.9106 -0.6431 -0.6431 -0.1241 -0.1241 0.1398 0.1398 1.1524 1.1524 1.2476 1.2476 1.8127 1.8127 2.0868 2.0868 2.6665 2.6665 3.3157 3.3157 3.5733 3.5733 3.7264 3.7264 3.9391 3.9391 4.5070 4.5070 5.1418 5.1418 5.7325 5.7325 11.6711 11.6711 12.5022 12.5022 13.0244 13.0244 13.0838 13.0838 13.2887 13.2887 k = 0.0000 0.0000 0.2284 ( 4242 PWs) bands (ev): -13.7855 -13.7855 -13.3518 -13.3518 -10.5365 -10.5365 -9.0103 -9.0103 -8.8331 -8.8331 -8.6793 -8.6793 -3.7038 -3.7038 -3.5130 -3.5130 -2.0034 -2.0034 -0.6380 -0.6380 -0.1065 -0.1065 0.1285 0.1285 1.0843 1.0843 1.2783 1.2783 1.7617 1.7617 2.1190 2.1190 2.6617 2.6617 3.3837 3.3837 3.5673 3.5673 3.7103 3.7103 3.9473 3.9473 4.5179 4.5179 5.1213 5.1213 5.7372 5.7372 11.6046 11.6046 12.5111 12.5111 12.9816 12.9816 13.2062 13.2062 13.2821 13.2821 k = 0.0000 0.0000 0.2120 ( 4246 PWs) bands (ev): -13.7944 -13.7944 -13.3452 -13.3452 -10.5545 -10.5545 -8.9658 -8.9658 -8.8410 -8.8410 -8.6823 -8.6823 -3.6822 -3.6822 -3.4760 -3.4760 -2.0916 -2.0916 -0.6316 -0.6316 -0.0893 -0.0893 0.1177 0.1177 1.0172 1.0172 1.3086 1.3086 1.7098 1.7098 2.1473 2.1473 2.6559 2.6559 3.4463 3.4463 3.5663 3.5663 3.6960 3.6960 3.9553 3.9553 4.5286 4.5286 5.1019 5.1019 5.7417 5.7417 11.5405 11.5405 12.5194 12.5194 12.9225 12.9225 13.2778 13.2778 13.3302 13.3302 k = 0.0000 0.0000 0.1957 ( 4254 PWs) bands (ev): -13.8028 -13.8028 -13.3390 -13.3390 -10.5710 -10.5710 -8.9231 -8.9231 -8.8485 -8.8485 -8.6852 -8.6852 -3.6612 -3.6612 -3.4394 -3.4394 -2.1750 -2.1750 -0.6238 -0.6238 -0.0726 -0.0726 0.1075 0.1075 0.9516 0.9516 1.3382 1.3382 1.6576 1.6576 2.1722 2.1722 2.6493 2.6493 3.4919 3.4919 3.5809 3.5809 3.6832 3.6832 3.9631 3.9631 4.5388 4.5388 5.0835 5.0835 5.7463 5.7463 11.4794 11.4794 12.5269 12.5269 12.8590 12.8590 13.2764 13.2764 13.4545 13.4545 k = 0.0000 0.0000 0.1794 ( 4258 PWs) bands (ev): -13.8107 -13.8107 -13.3332 -13.3332 -10.5863 -10.5863 -8.8826 -8.8826 -8.8556 -8.8556 -8.6880 -8.6880 -3.6412 -3.6412 -3.4038 -3.4038 -2.2533 -2.2533 -0.6149 -0.6149 -0.0564 -0.0564 0.0980 0.0980 0.8879 0.8879 1.3670 1.3670 1.6060 1.6060 2.1941 2.1941 2.6419 2.6419 3.5082 3.5082 3.6223 3.6223 3.6723 3.6723 3.9706 3.9706 4.5487 4.5487 5.0662 5.0662 5.7509 5.7509 11.4214 11.4214 12.5335 12.5335 12.7960 12.7960 13.2774 13.2774 13.5785 13.5785 k = 0.0000 0.0000 0.1631 ( 4258 PWs) bands (ev): -13.8179 -13.8179 -13.3280 -13.3280 -10.6002 -10.6002 -8.8624 -8.8624 -8.8442 -8.8442 -8.6907 -8.6907 -3.6221 -3.6221 -3.3694 -3.3694 -2.3261 -2.3261 -0.6051 -0.6051 -0.0406 -0.0406 0.0891 0.0891 0.8267 0.8267 1.3947 1.3947 1.5555 1.5555 2.2133 2.2133 2.6339 2.6339 3.5090 3.5090 3.6595 3.6595 3.6797 3.6797 3.9778 3.9778 4.5580 4.5580 5.0502 5.0502 5.7555 5.7555 11.3669 11.3669 12.5391 12.5391 12.7358 12.7358 13.2810 13.2810 13.6721 13.6721 k = 0.0000 0.0000 0.1468 ( 4248 PWs) bands (ev): -13.8245 -13.8245 -13.3232 -13.3232 -10.6127 -10.6127 -8.8684 -8.8684 -8.8087 -8.8087 -8.6933 -8.6933 -3.6043 -3.6043 -3.3366 -3.3366 -2.3931 -2.3931 -0.5947 -0.5947 -0.0254 -0.0254 0.0810 0.0810 0.7684 0.7684 1.4210 1.4210 1.5068 1.5068 2.2301 2.2301 2.6256 2.6256 3.5055 3.5055 3.6524 3.6524 3.7334 3.7334 3.9847 3.9847 4.5668 4.5668 5.0354 5.0354 5.7601 5.7601 11.3163 11.3163 12.5438 12.5438 12.6798 12.6798 13.2868 13.2868 13.7189 13.7189 k = 0.0000 0.0000 0.1305 ( 4248 PWs) bands (ev): -13.8305 -13.8305 -13.3190 -13.3190 -10.6239 -10.6239 -8.8740 -8.8740 -8.7761 -8.7761 -8.6957 -8.6957 -3.5880 -3.5880 -3.3059 -3.3059 -2.4541 -2.4541 -0.5839 -0.5839 -0.0106 -0.0106 0.0737 0.0737 0.7136 0.7136 1.4457 1.4457 1.4608 1.4608 2.2448 2.2448 2.6170 2.6170 3.5009 3.5009 3.6451 3.6451 3.7853 3.7853 3.9912 3.9912 4.5749 4.5749 5.0221 5.0221 5.7647 5.7647 11.2699 11.2699 12.5475 12.5475 12.6284 12.6284 13.2944 13.2944 13.7616 13.7616 k = 0.0000 0.0000 0.1142 ( 4252 PWs) bands (ev): -13.8358 -13.8358 -13.3152 -13.3152 -10.6338 -10.6338 -8.8789 -8.8789 -8.7466 -8.7466 -8.6979 -8.6979 -3.5731 -3.5731 -3.2776 -3.2776 -2.5086 -2.5086 -0.5731 -0.5731 0.0035 0.0035 0.0672 0.0672 0.6627 0.6627 1.4178 1.4178 1.4685 1.4685 2.2575 2.2575 2.6084 2.6084 3.4961 3.4961 3.6388 3.6388 3.8328 3.8328 3.9971 3.9971 4.5823 4.5823 5.0101 5.0101 5.7691 5.7691 11.2280 11.2280 12.5503 12.5503 12.5824 12.5824 13.3035 13.3035 13.7996 13.7996 k = 0.0000 0.0000 0.0979 ( 4250 PWs) bands (ev): -13.8404 -13.8404 -13.3119 -13.3119 -10.6424 -10.6424 -8.8833 -8.8833 -8.7205 -8.7205 -8.6999 -8.6999 -3.5600 -3.5600 -3.2521 -3.2521 -2.5565 -2.5565 -0.5627 -0.5627 0.0169 0.0169 0.0615 0.0615 0.6163 0.6163 1.3789 1.3789 1.4891 1.4891 2.2683 2.2683 2.6002 2.6002 3.4917 3.4917 3.6335 3.6335 3.8750 3.8750 4.0025 4.0025 4.5888 4.5888 4.9996 4.9996 5.7733 5.7733 11.1909 11.1909 12.5419 12.5419 12.5525 12.5525 13.3133 13.3133 13.8327 13.8327 k = 0.0000 0.0000 0.0816 ( 4261 PWs) bands (ev): -13.8444 -13.8444 -13.3092 -13.3092 -10.6496 -10.6496 -8.8871 -8.8871 -8.7023 -8.7023 -8.6973 -8.6973 -3.5487 -3.5487 -3.2298 -3.2298 -2.5975 -2.5975 -0.5529 -0.5529 0.0295 0.0295 0.0567 0.0567 0.5751 0.5751 1.3446 1.3446 1.5072 1.5072 2.2773 2.2773 2.5926 2.5926 3.4878 3.4878 3.6291 3.6291 3.9113 3.9113 4.0073 4.0073 4.5945 4.5945 4.9907 4.9907 5.7771 5.7771 11.1590 11.1590 12.5073 12.5073 12.5540 12.5540 13.3234 13.3234 13.8603 13.8603 k = 0.0000 0.0000 0.0652 ( 4257 PWs) bands (ev): -13.8476 -13.8476 -13.3069 -13.3069 -10.6555 -10.6555 -8.8902 -8.8902 -8.7032 -8.7032 -8.6790 -8.6790 -3.5393 -3.5393 -3.2111 -3.2111 -2.6314 -2.6314 -0.5443 -0.5443 0.0407 0.0407 0.0527 0.0527 0.5397 0.5397 1.3156 1.3156 1.5225 1.5225 2.2846 2.2846 2.5859 2.5859 3.4844 3.4844 3.6255 3.6255 3.9413 3.9413 4.0114 4.0114 4.5993 4.5993 4.9833 4.9833 5.7805 5.7805 11.1325 11.1325 12.4787 12.4787 12.5550 12.5550 13.3329 13.3329 13.8826 13.8826 k = 0.0000 0.0000 0.0489 ( 4259 PWs) bands (ev): -13.8502 -13.8502 -13.3051 -13.3051 -10.6601 -10.6601 -8.8926 -8.8926 -8.7043 -8.7043 -8.6643 -8.6643 -3.5319 -3.5319 -3.1961 -3.1961 -2.6579 -2.6579 -0.5371 -0.5371 0.0489 0.0489 0.0511 0.0511 0.5110 0.5110 1.2923 1.2923 1.5347 1.5347 2.2902 2.2902 2.5804 2.5804 3.4818 3.4818 3.6228 3.6228 3.9647 3.9647 4.0149 4.0149 4.6030 4.6030 4.9775 4.9775 5.7832 5.7832 11.1116 11.1116 12.4564 12.4564 12.5557 12.5557 13.3413 13.3413 13.8996 13.8996 k = 0.0000 0.0000 0.0326 ( 4259 PWs) bands (ev): -13.8520 -13.8520 -13.3039 -13.3039 -10.6634 -10.6634 -8.8943 -8.8943 -8.7052 -8.7052 -8.6537 -8.6537 -3.5265 -3.5265 -3.1853 -3.1853 -2.6770 -2.6770 -0.5318 -0.5318 0.0472 0.0472 0.0581 0.0581 0.4896 0.4896 1.2754 1.2754 1.5436 1.5436 2.2943 2.2943 2.5763 2.5763 3.4799 3.4799 3.6209 3.6209 3.9813 3.9813 4.0177 4.0177 4.6057 4.6057 4.9734 4.9734 5.7853 5.7853 11.0965 11.0965 12.4403 12.4403 12.5561 12.5561 13.3478 13.3478 13.9116 13.9116 k = 0.0000 0.0000 0.0163 ( 4259 PWs) bands (ev): -13.8531 -13.8531 -13.3031 -13.3031 -10.6653 -10.6653 -8.8954 -8.8954 -8.7056 -8.7056 -8.6473 -8.6473 -3.5233 -3.5233 -3.1787 -3.1787 -2.6885 -2.6885 -0.5284 -0.5284 0.0459 0.0459 0.0629 0.0629 0.4764 0.4764 1.2650 1.2650 1.5490 1.5490 2.2967 2.2967 2.5737 2.5737 3.4787 3.4787 3.6198 3.6198 3.9909 3.9909 4.0197 4.0197 4.6074 4.6074 4.9709 4.9709 5.7865 5.7865 11.0874 11.0874 12.4307 12.4307 12.5563 12.5563 13.3519 13.3519 13.9186 13.9186 k = 0.0000 0.0000 0.0000 ( 4263 PWs) bands (ev): -13.8535 -13.8535 -13.3029 -13.3029 -10.6660 -10.6660 -8.8957 -8.8957 -8.7058 -8.7058 -8.6451 -8.6451 -3.5222 -3.5222 -3.1765 -3.1765 -2.6923 -2.6923 -0.5273 -0.5273 0.0454 0.0454 0.0645 0.0645 0.4719 0.4719 1.2616 1.2616 1.5508 1.5508 2.2975 2.2975 2.5729 2.5729 3.4783 3.4783 3.6194 3.6194 3.9941 3.9941 4.0205 4.0205 4.6079 4.6079 4.9700 4.9700 5.7870 5.7870 11.0844 11.0844 12.4275 12.4275 12.5564 12.5564 13.3534 13.3534 13.9209 13.9209 k = 0.0000 0.0000 0.0000 ( 4263 PWs) bands (ev): -13.8535 -13.8535 -13.3029 -13.3029 -10.6660 -10.6660 -8.8957 -8.8957 -8.7058 -8.7058 -8.6451 -8.6451 -3.5222 -3.5222 -3.1765 -3.1765 -2.6923 -2.6923 -0.5273 -0.5273 0.0454 0.0454 0.0645 0.0645 0.4719 0.4719 1.2616 1.2616 1.5508 1.5508 2.2975 2.2975 2.5729 2.5729 3.4783 3.4783 3.6194 3.6194 3.9941 3.9941 4.0205 4.0205 4.6079 4.6079 4.9700 4.9700 5.7870 5.7870 11.0844 11.0844 12.4275 12.4275 12.5564 12.5564 13.3534 13.3534 13.9209 13.9209 k =-0.0139 0.0086 0.0000 ( 4263 PWs) bands (ev): -13.8530 -13.8530 -13.3029 -13.3029 -10.6675 -10.6675 -8.8955 -8.8954 -8.7067 -8.7061 -8.6449 -8.6440 -3.5199 -3.5197 -3.1791 -3.1788 -2.6889 -2.6887 -0.5284 -0.5281 0.0472 0.0472 0.0627 0.0629 0.4708 0.4708 1.2603 1.2604 1.5522 1.5522 2.2990 2.2991 2.5728 2.5729 3.4771 3.4774 3.6166 3.6168 3.9933 3.9934 4.0195 4.0195 4.6083 4.6085 4.9710 4.9711 5.7862 5.7863 11.0877 11.0877 12.4103 12.4110 12.5728 12.5731 13.3533 13.3534 13.9194 13.9197 k =-0.0278 0.0172 0.0000 ( 4251 PWs) bands (ev): -13.8515 -13.8515 -13.3030 -13.3029 -10.6719 -10.6719 -8.8949 -8.8947 -8.7087 -8.7074 -8.6433 -8.6417 -3.5128 -3.5123 -3.1862 -3.1857 -2.6788 -2.6784 -0.5315 -0.5308 0.0523 0.0524 0.0576 0.0578 0.4675 0.4675 1.2568 1.2570 1.5562 1.5563 2.3036 2.3038 2.5726 2.5729 3.4738 3.4745 3.6084 3.6088 3.9912 3.9915 4.0166 4.0166 4.6097 4.6100 4.9741 4.9743 5.7841 5.7841 11.0977 11.0977 12.3734 12.3746 12.6086 12.6093 13.3533 13.3533 13.9153 13.9158 k =-0.0417 0.0258 0.0000 ( 4249 PWs) bands (ev): -13.8491 -13.8490 -13.3031 -13.3030 -10.6793 -10.6792 -8.8939 -8.8936 -8.7114 -8.7097 -8.6406 -8.6384 -3.5009 -3.5002 -3.1973 -3.1966 -2.6624 -2.6619 -0.5364 -0.5354 0.0487 0.0492 0.0610 0.0611 0.4620 0.4620 1.2509 1.2513 1.5630 1.5631 2.3113 2.3115 2.5724 2.5728 3.4682 3.4693 3.5951 3.5957 3.9877 3.9881 4.0117 4.0118 4.6120 4.6125 4.9792 4.9795 5.7805 5.7805 11.1142 11.1143 12.3302 12.3320 12.6502 12.6513 13.3532 13.3532 13.9086 13.9094 k =-0.0556 0.0343 0.0000 ( 4241 PWs) bands (ev): -13.8457 -13.8456 -13.3033 -13.3031 -10.6895 -10.6894 -8.8925 -8.8921 -8.7147 -8.7127 -8.6371 -8.6344 -3.4842 -3.4833 -3.2117 -3.2108 -2.6408 -2.6400 -0.5430 -0.5417 0.0367 0.0374 0.0729 0.0731 0.4543 0.4544 1.2428 1.2432 1.5725 1.5726 2.3219 2.3222 2.5721 2.5727 3.4600 3.4614 3.5771 3.5780 3.9828 3.9833 4.0051 4.0052 4.6152 4.6158 4.9862 4.9865 5.7755 5.7756 11.1372 11.1372 12.2856 12.2878 12.6930 12.6945 13.3530 13.3531 13.8998 13.9008 k =-0.0694 0.0429 0.0000 ( 4239 PWs) bands (ev): -13.8413 -13.8413 -13.3035 -13.3033 -10.7025 -10.7023 -8.8907 -8.8902 -8.7182 -8.7160 -8.6330 -8.6299 -3.4629 -3.4617 -3.2284 -3.2272 -2.6147 -2.6137 -0.5513 -0.5497 0.0215 0.0223 0.0880 0.0882 0.4445 0.4446 1.2324 1.2330 1.5846 1.5847 2.3353 2.3357 2.5717 2.5725 3.4485 3.4504 3.5553 3.5565 3.9765 3.9771 3.9968 3.9969 4.6192 4.6200 4.9949 4.9952 5.7692 5.7693 11.1664 11.1665 12.2413 12.2440 12.7351 12.7371 13.3528 13.3529 13.8889 13.8901 k =-0.0833 0.0515 0.0000 ( 4240 PWs) bands (ev): -13.8360 -13.8360 -13.3038 -13.3036 -10.7180 -10.7179 -8.8886 -8.8880 -8.7219 -8.7195 -8.6286 -8.6252 -3.4369 -3.4355 -3.2466 -3.2453 -2.5850 -2.5837 -0.5610 -0.5592 0.0032 0.0043 0.1062 0.1064 0.4327 0.4328 1.2199 1.2206 1.5992 1.5994 2.3515 2.3519 2.5713 2.5722 3.4327 3.4352 3.5308 3.5324 3.9686 3.9693 3.9871 3.9872 4.6241 4.6250 5.0051 5.0054 5.7616 5.7617 11.2017 11.2018 12.1983 12.2014 12.7758 12.7781 13.3526 13.3527 13.8764 13.8776 k =-0.0972 0.0601 0.0000 ( 4240 PWs) bands (ev): -13.8298 -13.8298 -13.3040 -13.3038 -10.7361 -10.7359 -8.8862 -8.8856 -8.7256 -8.7231 -8.6240 -8.6203 -3.4064 -3.4048 -3.2658 -3.2643 -2.5522 -2.5507 -0.5721 -0.5700 -0.0179 -0.0166 0.1274 0.1276 0.4189 0.4190 1.2053 1.2060 1.6163 1.6165 2.3701 2.3706 2.5708 2.5719 3.4114 3.4142 3.5055 3.5074 3.9590 3.9597 3.9763 3.9763 4.6297 4.6307 5.0165 5.0169 5.7529 5.7529 11.2428 11.2430 12.1572 12.1607 12.8144 12.8170 13.3524 13.3525 13.8624 13.8638 k =-0.1111 0.0687 0.0000 ( 4242 PWs) bands (ev): -13.8228 -13.8227 -13.3044 -13.3041 -10.7564 -10.7563 -8.8836 -8.8829 -8.7291 -8.7265 -8.6193 -8.6154 -3.3715 -3.3697 -3.2853 -3.2837 -2.5171 -2.5153 -0.5844 -0.5820 -0.0417 -0.0402 0.1513 0.1515 0.4032 0.4033 1.1886 1.1894 1.6357 1.6359 2.3911 2.3916 2.5703 2.5716 3.3831 3.3861 3.4811 3.4831 3.9476 3.9483 3.9646 3.9646 4.6360 4.6371 5.0291 5.0294 5.7430 5.7431 11.2895 11.2897 12.1187 12.1225 12.8504 12.8533 13.3523 13.3524 13.8472 13.8486 k =-0.1250 0.0773 0.0000 ( 4240 PWs) bands (ev): -13.8149 -13.8148 -13.3047 -13.3045 -10.7789 -10.7787 -8.8808 -8.8801 -8.7324 -8.7297 -8.6147 -8.6107 -3.3323 -3.3303 -3.3049 -3.3031 -2.4800 -2.4780 -0.5979 -0.5952 -0.0679 -0.0662 0.1779 0.1781 0.3857 0.3858 1.1699 1.1708 1.6575 1.6577 2.4142 2.4147 2.5698 2.5712 3.3475 3.3505 3.4585 3.4602 3.9341 3.9347 3.9523 3.9524 4.6429 4.6440 5.0425 5.0428 5.7322 5.7322 11.3414 11.3416 12.0829 12.0871 12.8835 12.8866 13.3525 13.3526 13.8311 13.8325 k =-0.1389 0.0859 0.0000 ( 4240 PWs) bands (ev): -13.8061 -13.8061 -13.3051 -13.3048 -10.8034 -10.8032 -8.8779 -8.8771 -8.7354 -8.7327 -8.6103 -8.6061 -3.3241 -3.3222 -3.2889 -3.2867 -2.4414 -2.4391 -0.6123 -0.6093 -0.0964 -0.0944 0.2070 0.2073 0.3665 0.3665 1.1492 1.1502 1.6815 1.6816 2.4392 2.4398 2.5692 2.5708 3.3055 3.3082 3.4370 3.4384 3.9186 3.9191 3.9395 3.9399 4.6503 4.6513 5.0564 5.0567 5.7204 5.7205 11.3982 11.3985 12.0505 12.0550 12.9131 12.9164 13.3532 13.3532 13.8140 13.8155 k =-0.1528 0.0945 0.0000 ( 4228 PWs) bands (ev): -13.7966 -13.7965 -13.3056 -13.3052 -10.8295 -10.8293 -8.8749 -8.8740 -8.7380 -8.7354 -8.6061 -8.6017 -3.3427 -3.3407 -3.2416 -3.2391 -2.4015 -2.3989 -0.6275 -0.6243 -0.1268 -0.1245 0.2386 0.2388 0.3457 0.3457 1.1266 1.1276 1.7075 1.7075 2.4659 2.4665 2.5687 2.5704 3.2582 3.2607 3.4157 3.4168 3.9012 3.9017 3.9263 3.9267 4.6580 4.6590 5.0708 5.0709 5.7080 5.7080 11.4597 11.4600 12.0216 12.0263 12.9391 12.9424 13.3546 13.3546 13.7963 13.7976 k =-0.1667 0.1030 0.0000 ( 4226 PWs) bands (ev): -13.7864 -13.7863 -13.3060 -13.3057 -10.8573 -10.8571 -8.8718 -8.8710 -8.7403 -8.7377 -8.6022 -8.5977 -3.3605 -3.3584 -3.1904 -3.1877 -2.3606 -2.3578 -0.6436 -0.6402 -0.1590 -0.1564 0.2725 0.2727 0.3234 0.3234 1.1020 1.1030 1.7354 1.7354 2.4941 2.4947 2.5682 2.5701 3.2070 3.2092 3.3938 3.3945 3.8822 3.8827 3.9125 3.9131 4.6660 4.6670 5.0853 5.0853 5.6949 5.6950 11.5253 11.5257 11.9965 12.0015 12.9609 12.9642 13.3568 13.3570 13.7778 13.7792 k =-0.1806 0.1116 0.0000 ( 4222 PWs) bands (ev): -13.7755 -13.7754 -13.3065 -13.3061 -10.8863 -10.8861 -8.8688 -8.8679 -8.7422 -8.7396 -8.5986 -8.5940 -3.3774 -3.3752 -3.1355 -3.1326 -2.3190 -2.3159 -0.6605 -0.6567 -0.1925 -0.1896 0.2992 0.2994 0.3091 0.3091 1.0754 1.0765 1.7651 1.7652 2.5234 2.5241 2.5679 2.5699 3.1528 3.1548 3.3709 3.3713 3.8617 3.8622 3.8981 3.8987 4.6741 4.6751 5.0997 5.0997 5.6813 5.6814 11.5949 11.5953 11.9754 11.9806 12.9784 12.9816 13.3603 13.3607 13.7588 13.7600 k =-0.1944 0.1202 0.0000 ( 4224 PWs) bands (ev): -13.7640 -13.7639 -13.3070 -13.3066 -10.9164 -10.9162 -8.8658 -8.8649 -8.7437 -8.7411 -8.5954 -8.5907 -3.3932 -3.3910 -3.0772 -3.0741 -2.2768 -2.2734 -0.6780 -0.6740 -0.2273 -0.2240 0.2746 0.2747 0.3469 0.3470 1.0469 1.0481 1.7965 1.7967 2.5536 2.5540 2.5682 2.5701 3.0964 3.0982 3.3465 3.3467 3.8398 3.8403 3.8831 3.8838 4.6823 4.6832 5.1138 5.1140 5.6674 5.6675 11.6679 11.6684 11.9585 11.9639 12.9913 12.9943 13.3652 13.3656 13.7392 13.7403 k =-0.2083 0.1288 0.0000 ( 4228 PWs) bands (ev): -13.7519 -13.7518 -13.3075 -13.3071 -10.9475 -10.9473 -8.8629 -8.8620 -8.7448 -8.7421 -8.5926 -8.5879 -3.4080 -3.4058 -3.0155 -3.0122 -2.2343 -2.2306 -0.6961 -0.6919 -0.2629 -0.2593 0.2486 0.2487 0.3870 0.3871 1.0165 1.0177 1.8293 1.8297 2.5667 2.5693 2.5857 2.5865 3.0385 3.0402 3.3207 3.3208 3.8165 3.8170 3.8674 3.8682 4.6904 4.6913 5.1277 5.1279 5.6533 5.6534 11.7441 11.7446 11.9459 11.9514 12.9996 13.0024 13.3714 13.3720 13.7190 13.7200 k =-0.2222 0.1374 0.0000 ( 4204 PWs) bands (ev): -13.7393 -13.7392 -13.3080 -13.3076 -10.9791 -10.9789 -8.8601 -8.8592 -8.7454 -8.7427 -8.5902 -8.5855 -3.4216 -3.4193 -2.9507 -2.9472 -2.1915 -2.1876 -0.7149 -0.7104 -0.2991 -0.2951 0.2215 0.2217 0.4289 0.4290 0.9842 0.9854 1.8635 1.8640 2.5672 2.5700 2.6169 2.6178 2.9798 2.9813 3.2933 3.2937 3.7920 3.7926 3.8513 3.8521 4.6984 4.6992 5.1410 5.1413 5.6392 5.6393 11.8230 11.8236 11.9377 11.9434 13.0034 13.0060 13.3789 13.3797 13.6983 13.6993 k =-0.2361 0.1460 0.0000 ( 4206 PWs) bands (ev): -13.7263 -13.7263 -13.3085 -13.3081 -11.0112 -11.0111 -8.8574 -8.8565 -8.7455 -8.7428 -8.5883 -8.5835 -3.4341 -3.4318 -2.8831 -2.8794 -2.1488 -2.1446 -0.7344 -0.7296 -0.3357 -0.3314 0.1935 0.1939 0.4725 0.4726 0.9500 0.9513 1.8988 1.8994 2.5679 2.5708 2.6483 2.6493 2.9207 2.9222 3.2647 3.2653 3.7662 3.7668 3.8346 3.8355 4.7062 4.7069 5.1538 5.1541 5.6251 5.6252 11.9042 11.9049 11.9340 11.9397 13.0030 13.0054 13.3874 13.3883 13.6772 13.6781 k =-0.2500 0.1546 0.0000 ( 4208 PWs) bands (ev): -13.7130 -13.7130 -13.3090 -13.3086 -11.0435 -11.0434 -8.8548 -8.8539 -8.7452 -8.7425 -8.5869 -8.5821 -3.4453 -3.4430 -2.8128 -2.8089 -2.1062 -2.1018 -0.7545 -0.7495 -0.3724 -0.3676 0.1649 0.1653 0.5175 0.5176 0.9141 0.9153 1.9350 1.9358 2.5689 2.5721 2.6794 2.6803 2.8620 2.8633 3.2354 3.2362 3.7392 3.7399 3.8174 3.8183 4.7136 4.7142 5.1659 5.1664 5.6112 5.6113 11.9346 11.9404 11.9875 11.9881 12.9988 13.0009 13.3965 13.3976 13.6558 13.6565 k =-0.2639 0.1632 0.0000 ( 4220 PWs) bands (ev): -13.6995 -13.6994 -13.3095 -13.3092 -11.0758 -11.0757 -8.8524 -8.8516 -8.7445 -8.7417 -8.5859 -8.5811 -3.4554 -3.4532 -2.7400 -2.7359 -2.0640 -2.0593 -0.7753 -0.7700 -0.4088 -0.4037 0.1357 0.1362 0.5638 0.5639 0.8765 0.8778 1.9718 1.9729 2.5706 2.5739 2.7093 2.7103 2.8040 2.8052 3.2057 3.2067 3.7110 3.7118 3.7997 3.8007 4.7205 4.7211 5.1773 5.1778 5.5975 5.5976 11.9397 11.9455 12.0722 12.0730 12.9911 12.9930 13.4059 13.4070 13.6340 13.6347 k =-0.2778 0.1717 0.0000 ( 4216 PWs) bands (ev): -13.6858 -13.6857 -13.3101 -13.3097 -11.1079 -11.1077 -8.8502 -8.8493 -8.7433 -8.7406 -8.5855 -8.5807 -3.4644 -3.4621 -2.6651 -2.6608 -2.0222 -2.0173 -0.7969 -0.7914 -0.4448 -0.4393 0.1061 0.1067 0.6108 0.6109 0.8377 0.8391 2.0091 2.0103 2.5730 2.5766 2.7370 2.7380 2.7474 2.7485 3.1767 3.1779 3.6816 3.6825 3.7816 3.7825 4.7271 4.7276 5.1880 5.1886 5.5843 5.5844 11.9490 11.9548 12.1582 12.1590 12.9804 12.9820 13.4152 13.4162 13.6122 13.6127 k =-0.2917 0.1803 0.0000 ( 4204 PWs) bands (ev): -13.6721 -13.6720 -13.3106 -13.3102 -11.1394 -11.1393 -8.8481 -8.8473 -8.7417 -8.7389 -8.5855 -8.5807 -3.4722 -3.4700 -2.5882 -2.5837 -1.9812 -1.9760 -0.8194 -0.8136 -0.4799 -0.4741 0.0763 0.0770 0.6574 0.6576 0.7988 0.8001 2.0463 2.0478 2.5765 2.5804 2.6919 2.6929 2.7619 2.7630 3.1496 3.1511 3.6511 3.6521 3.7630 3.7640 4.7331 4.7336 5.1980 5.1986 5.5716 5.5717 11.9624 11.9682 12.2449 12.2458 12.9669 12.9683 13.4240 13.4250 13.5905 13.5909 k =-0.3056 0.1889 0.0000 ( 4200 PWs) bands (ev): -13.6584 -13.6583 -13.3111 -13.3107 -11.1703 -11.1702 -8.8462 -8.8454 -8.7397 -8.7369 -8.5859 -8.5812 -3.4790 -3.4769 -2.5096 -2.5049 -1.9410 -1.9356 -0.8430 -0.8369 -0.5141 -0.5079 0.0465 0.0473 0.6976 0.6979 0.7659 0.7671 2.0832 2.0850 2.5812 2.5854 2.6388 2.6397 2.7813 2.7825 3.1266 3.1283 3.6195 3.6206 3.7439 3.7449 4.7386 4.7390 5.2072 5.2078 5.5595 5.5596 11.9798 11.9855 12.3320 12.3329 12.9510 12.9522 13.4321 13.4330 13.5690 13.5694 k =-0.3194 0.1975 0.0000 ( 4196 PWs) bands (ev): -13.6449 -13.6448 -13.3115 -13.3112 -11.2002 -11.2001 -8.8445 -8.8437 -8.7373 -8.7346 -8.5869 -8.5822 -3.4848 -3.4828 -2.4296 -2.4247 -1.9019 -1.8964 -0.8677 -0.8613 -0.5470 -0.5405 0.0169 0.0178 0.6943 0.6954 0.7760 0.7763 2.1193 2.1213 2.5863 2.5885 2.5891 2.5921 2.7932 2.7944 3.1101 3.1119 3.5869 3.5881 3.7244 3.7253 4.7435 4.7439 5.2157 5.2163 5.5480 5.5481 12.0010 12.0066 12.4188 12.4198 12.9328 12.9337 13.4393 13.4400 13.5482 13.5485 k =-0.3333 0.2061 0.0000 ( 4202 PWs) bands (ev): -13.6317 -13.6317 -13.3120 -13.3117 -11.2291 -11.2290 -8.8429 -8.8422 -8.7347 -8.7319 -8.5882 -8.5836 -3.4897 -3.4878 -2.3485 -2.3434 -1.8641 -1.8585 -0.8938 -0.8872 -0.5783 -0.5717 -0.0124 -0.0113 0.6567 0.6581 0.8200 0.8202 2.1540 2.1563 2.5394 2.5402 2.5958 2.6005 2.7953 2.7965 3.1026 3.1045 3.5534 3.5546 3.7043 3.7053 4.7479 4.7482 5.2234 5.2240 5.5372 5.5373 12.0257 12.0311 12.5051 12.5061 12.9124 12.9131 13.4455 13.4459 13.5283 13.5286 k =-0.3472 0.2147 0.0000 ( 4202 PWs) bands (ev): -13.6190 -13.6189 -13.3124 -13.3121 -11.2566 -11.2565 -8.8415 -8.8408 -8.7317 -8.7289 -8.5899 -8.5854 -3.4938 -3.4919 -2.2666 -2.2612 -1.8278 -1.8221 -0.9215 -0.9146 -0.6079 -0.6011 -0.0410 -0.0398 0.6142 0.6156 0.8686 0.8687 2.1869 2.1894 2.4938 2.4944 2.6063 2.6113 2.7869 2.7880 3.1054 3.1071 3.5190 3.5203 3.6838 3.6847 4.7517 4.7519 5.2304 5.2310 5.5272 5.5273 12.0536 12.0589 12.5900 12.5911 12.8899 12.8904 13.4505 13.4507 13.5099 13.5103 k =-0.3611 0.2233 0.0000 ( 4194 PWs) bands (ev): -13.6067 -13.6066 -13.3129 -13.3125 -11.2825 -11.2824 -8.8402 -8.8396 -8.7284 -8.7257 -8.5919 -8.5876 -3.4971 -3.4954 -2.1841 -2.1785 -1.7933 -1.7876 -0.9511 -0.9440 -0.6355 -0.6286 -0.0686 -0.0674 0.5710 0.5725 0.9178 0.9179 2.2173 2.2199 2.4511 2.4516 2.6196 2.6247 2.7693 2.7701 3.1174 3.1189 3.4839 3.4854 3.6627 3.6637 4.7549 4.7552 5.2367 5.2373 5.5179 5.5180 12.0845 12.0896 12.6731 12.6743 12.8654 12.8657 13.4541 13.4543 13.4936 13.4941 k =-0.3750 0.2319 0.0000 ( 4194 PWs) bands (ev): -13.5951 -13.5951 -13.3132 -13.3130 -11.3067 -11.3066 -8.8391 -8.8386 -8.7250 -8.7224 -8.5942 -8.5900 -3.4997 -3.4981 -2.1015 -2.0957 -1.7609 -1.7552 -0.9829 -0.9755 -0.6609 -0.6539 -0.0951 -0.0939 0.5284 0.5299 0.9664 0.9665 2.2447 2.2475 2.4113 2.4118 2.6357 2.6409 2.7452 2.7458 3.1362 3.1376 3.4483 3.4499 3.6412 3.6421 4.7577 4.7579 5.2423 5.2429 5.5095 5.5096 12.1179 12.1229 12.7535 12.7547 12.8389 12.8389 13.4556 13.4564 13.4805 13.4814 k =-0.3889 0.2404 0.0000 ( 4198 PWs) bands (ev): -13.5844 -13.5843 -13.3136 -13.3133 -11.3289 -11.3289 -8.8381 -8.8376 -8.7215 -8.7189 -8.5966 -8.5927 -3.5017 -3.5003 -2.0191 -2.0131 -1.7307 -1.7253 -1.0171 -1.0096 -0.6838 -0.6770 -0.1202 -0.1189 0.4874 0.4888 1.0136 1.0137 2.2688 2.2716 2.3747 2.3751 2.6549 2.6600 2.7174 2.7178 3.1596 3.1609 3.4125 3.4141 3.6191 3.6200 4.7600 4.7602 5.2473 5.2479 5.5020 5.5020 12.1537 12.1584 12.8102 12.8102 12.8305 12.8315 13.4541 13.4555 13.4726 13.4739 k =-0.4028 0.2490 0.0000 ( 4202 PWs) bands (ev): -13.5745 -13.5745 -13.3139 -13.3137 -11.3491 -11.3490 -8.8373 -8.8369 -8.7179 -8.7154 -8.5992 -8.5955 -3.5033 -3.5020 -1.9373 -1.9311 -1.7031 -1.6980 -1.0543 -1.0466 -0.7042 -0.6977 -0.1434 -0.1421 0.4487 0.4500 1.0586 1.0587 2.2894 2.2920 2.3413 2.3416 2.6766 2.6818 2.6882 2.6887 3.1858 3.1869 3.3768 3.3785 3.5965 3.5974 4.7619 4.7620 5.2516 5.2522 5.4953 5.4953 12.1912 12.1957 12.7798 12.7801 12.9020 12.9032 13.4507 13.4521 13.4704 13.4716 k =-0.4167 0.2576 0.0000 ( 4200 PWs) bands (ev): -13.5657 -13.5656 -13.3142 -13.3140 -11.3669 -11.3668 -8.8366 -8.8362 -8.7144 -8.7121 -8.6018 -8.5984 -3.5044 -3.5033 -1.8564 -1.8500 -1.6784 -1.6737 -1.0945 -1.0867 -0.7219 -0.7159 -0.1644 -0.1632 0.4131 0.4143 1.1008 1.1008 2.3060 2.3088 2.3112 2.3118 2.6596 2.6596 2.7012 2.7058 3.2133 3.2144 3.3418 3.3436 3.5735 3.5743 4.7634 4.7635 5.2554 5.2558 5.4894 5.4895 12.2302 12.2344 12.7476 12.7483 12.9672 12.9683 13.4494 13.4506 13.4708 13.4718 k =-0.4306 0.2662 0.0000 ( 4198 PWs) bands (ev): -13.5580 -13.5580 -13.3144 -13.3142 -11.3822 -11.3822 -8.8360 -8.8357 -8.7110 -8.7089 -8.6043 -8.6013 -3.5052 -3.5042 -1.7769 -1.7702 -1.6569 -1.6526 -1.1382 -1.1303 -0.7369 -0.7315 -0.1830 -0.1819 0.3814 0.3825 1.1390 1.1391 2.2846 2.2847 2.3202 2.3222 2.6329 2.6330 2.7266 2.7309 3.2413 3.2423 3.3082 3.3099 3.5503 3.5511 4.7645 4.7646 5.2585 5.2589 5.4845 5.4845 12.2700 12.2739 12.7140 12.7149 13.0240 13.0250 13.4525 13.4536 13.4722 13.4730 k =-0.4444 0.2748 0.0000 ( 4186 PWs) bands (ev): -13.5516 -13.5515 -13.3146 -13.3144 -11.3950 -11.3950 -8.8355 -8.8352 -8.7079 -8.7061 -8.6065 -8.6040 -3.5057 -3.5049 -1.6992 -1.6923 -1.6387 -1.6351 -1.1856 -1.1777 -0.7490 -0.7444 -0.1987 -0.1977 0.3543 0.3553 1.1724 1.1725 2.2620 2.2620 2.3308 2.3325 2.6095 2.6096 2.7521 2.7558 3.2684 3.2697 3.2771 3.2792 3.5271 3.5279 4.7655 4.7655 5.2611 5.2614 5.4805 5.4805 12.3099 12.3135 12.6796 12.6807 13.0705 13.0714 13.4598 13.4607 13.4756 13.4762 k =-0.4583 0.2834 0.0000 ( 4182 PWs) bands (ev): -13.5465 -13.5465 -13.3147 -13.3146 -11.4051 -11.4050 -8.8351 -8.8349 -8.7053 -8.7038 -8.6083 -8.6063 -3.5060 -3.5054 -1.6242 -1.6237 -1.6213 -1.6165 -1.2369 -1.2290 -0.7582 -0.7546 -0.2113 -0.2105 0.3326 0.3334 1.1999 1.2000 2.2435 2.2435 2.3386 2.3400 2.5903 2.5904 2.7758 2.7788 3.2492 3.2505 3.2957 3.2964 3.5045 3.5052 4.7661 4.7662 5.2631 5.2633 5.4773 5.4773 12.3489 12.3521 12.6451 12.6464 13.1056 13.1064 13.4661 13.4665 13.4855 13.4858 k =-0.4722 0.2920 0.0000 ( 4184 PWs) bands (ev): -13.5428 -13.5428 -13.3148 -13.3147 -11.4123 -11.4123 -8.8348 -8.8347 -8.7031 -8.7021 -8.6097 -8.6083 -3.5061 -3.5058 -1.6135 -1.6115 -1.5508 -1.5434 -1.2921 -1.2842 -0.7646 -0.7621 -0.2204 -0.2199 0.3167 0.3172 1.2205 1.2205 2.2299 2.2299 2.3441 2.3450 2.5760 2.5761 2.7956 2.7977 3.2272 3.2282 3.3192 3.3198 3.4839 3.4845 4.7666 4.7666 5.2645 5.2647 5.4751 5.4751 12.3850 12.3876 12.6126 12.6139 13.1294 13.1299 13.4685 13.4686 13.5013 13.5014 k =-0.4861 0.3006 0.0000 ( 4182 PWs) bands (ev): -13.5406 -13.5405 -13.3149 -13.3148 -11.4167 -11.4167 -8.8346 -8.8346 -8.7017 -8.7012 -8.6104 -8.6097 -3.5062 -3.5060 -1.6068 -1.6058 -1.4809 -1.4734 -1.3513 -1.3435 -0.7681 -0.7668 -0.2259 -0.2257 0.3070 0.3073 1.2333 1.2333 2.2214 2.2214 2.3473 2.3478 2.5673 2.5673 2.8091 2.8102 3.2128 3.2134 3.3371 3.3375 3.4680 3.4684 4.7668 4.7668 5.2654 5.2654 5.4737 5.4737 12.4138 12.4154 12.5864 12.5874 13.1429 13.1432 13.4693 13.4694 13.5154 13.5154 k =-0.5000 0.3091 0.0000 ( 4170 PWs) bands (ev): -13.5398 -13.5398 -13.3149 -13.3149 -11.4181 -11.4181 -8.8346 -8.8346 -8.7010 -8.7010 -8.6104 -8.6104 -3.5061 -3.5061 -1.6042 -1.6042 -1.4147 -1.4147 -1.4061 -1.4061 -0.7689 -0.7689 -0.2277 -0.2277 0.3039 0.3039 1.2376 1.2376 2.2186 2.2186 2.3486 2.3486 2.5643 2.5643 2.8143 2.8143 3.2080 3.2080 3.3443 3.3443 3.4617 3.4617 4.7669 4.7669 5.2657 5.2657 5.4733 5.4733 12.4264 12.4264 12.5759 12.5759 13.1473 13.1473 13.4696 13.4696 13.5210 13.5210 k =-0.5000 0.3091 0.0000 ( 4170 PWs) bands (ev): -13.5398 -13.5398 -13.3149 -13.3149 -11.4181 -11.4181 -8.8346 -8.8346 -8.7010 -8.7010 -8.6104 -8.6104 -3.5061 -3.5061 -1.6042 -1.6042 -1.4147 -1.4147 -1.4061 -1.4061 -0.7689 -0.7689 -0.2277 -0.2277 0.3039 0.3039 1.2376 1.2376 2.2186 2.2186 2.3486 2.3486 2.5643 2.5643 2.8143 2.8143 3.2080 3.2080 3.3443 3.3443 3.4617 3.4617 4.7669 4.7669 5.2657 5.2657 5.4733 5.4733 12.4264 12.4264 12.5759 12.5759 13.1473 13.1473 13.4696 13.4696 13.5210 13.5210 k =-0.4914 0.3230-0.0000 ( 4176 PWs) bands (ev): -13.5399 -13.5399 -13.3149 -13.3149 -11.4172 -11.4172 -8.8441 -8.8421 -8.7006 -8.7003 -8.6047 -8.6022 -3.5058 -3.5058 -1.6093 -1.6087 -1.4110 -1.4108 -1.4015 -1.4014 -0.7699 -0.7697 -0.2377 -0.2348 0.3098 0.3130 1.2370 1.2374 2.2153 2.2167 2.3492 2.3528 2.5646 2.5671 2.8122 2.8131 3.2090 3.2091 3.3423 3.3433 3.4617 3.4617 4.7677 4.7682 5.2621 5.2629 5.4720 5.4728 12.4271 12.4271 12.5769 12.5770 13.1501 13.1528 13.4389 13.4473 13.5458 13.5566 k =-0.4828 0.3369-0.0000 ( 4176 PWs) bands (ev): -13.5403 -13.5403 -13.3151 -13.3151 -11.4142 -11.4142 -8.8678 -8.8645 -8.6990 -8.6984 -8.5873 -8.5831 -3.5049 -3.5048 -1.6214 -1.6203 -1.4112 -1.4111 -1.3783 -1.3779 -0.7728 -0.7723 -0.2631 -0.2578 0.3296 0.3355 1.2355 1.2363 2.2078 2.2101 2.3541 2.3608 2.5681 2.5730 2.8068 2.8086 3.2122 3.2123 3.3374 3.3394 3.4615 3.4616 4.7706 4.7715 5.2523 5.2538 5.4690 5.4706 12.4291 12.4291 12.5800 12.5802 13.1606 13.1663 13.4009 13.4084 13.5950 13.6074 k =-0.4743 0.3508-0.0000 ( 4182 PWs) bands (ev): -13.5410 -13.5410 -13.3154 -13.3154 -11.4093 -11.4093 -8.9008 -8.8968 -8.6963 -8.6953 -8.5633 -8.5579 -3.5033 -3.5031 -1.6363 -1.6346 -1.4140 -1.4139 -1.3426 -1.3417 -0.7774 -0.7767 -0.3008 -0.2936 0.3603 0.3683 1.2332 1.2343 2.1975 2.2003 2.3618 2.3707 2.5749 2.5819 2.7981 2.8007 3.2174 3.2177 3.3297 3.3326 3.4613 3.4613 4.7756 4.7768 5.2365 5.2386 5.4642 5.4665 12.4324 12.4326 12.5852 12.5855 13.1774 13.1868 13.3677 13.3724 13.6496 13.6627 k =-0.4657 0.3646-0.0000 ( 4186 PWs) bands (ev): -13.5419 -13.5419 -13.3158 -13.3157 -11.4025 -11.4024 -8.9395 -8.9353 -8.6924 -8.6911 -8.5362 -8.5300 -3.5012 -3.5009 -1.6505 -1.6484 -1.4181 -1.4180 -1.2987 -1.2975 -0.7838 -0.7828 -0.3473 -0.3389 0.3984 0.4079 1.2300 1.2315 2.1860 2.1889 2.3707 2.3810 2.5855 2.5941 2.7861 2.7895 3.2247 3.2251 3.3191 3.3230 3.4610 3.4611 4.7826 4.7842 5.2151 5.2178 5.4575 5.4603 12.4368 12.4374 12.5925 12.5928 13.1969 13.2112 13.3440 13.3443 13.7077 13.7212 k =-0.4571 0.3785-0.0000 ( 4198 PWs) bands (ev): -13.5431 -13.5431 -13.3162 -13.3162 -11.3936 -11.3936 -8.9820 -8.9776 -8.6874 -8.6858 -8.5083 -8.5016 -3.4984 -3.4980 -1.6624 -1.6599 -1.4234 -1.4233 -1.2487 -1.2471 -0.7919 -0.7907 -0.4000 -0.3909 0.4412 0.4517 1.2257 1.2276 2.1742 2.1769 2.3795 2.3904 2.5998 2.6094 2.7707 2.7749 3.2342 3.2347 3.3058 3.3107 3.4607 3.4608 4.7916 4.7936 5.1888 5.1919 5.4486 5.4518 12.4424 12.4434 12.6018 12.6022 13.2106 13.2301 13.3337 13.3383 13.7687 13.7823 k =-0.4485 0.3924-0.0000 ( 4190 PWs) bands (ev): -13.5446 -13.5445 -13.3168 -13.3168 -11.3829 -11.3828 -9.0269 -9.0226 -8.6813 -8.6794 -8.4808 -8.4737 -3.4951 -3.4947 -1.6710 -1.6680 -1.4299 -1.4298 -1.1937 -1.1917 -0.8015 -0.8001 -0.4571 -0.4474 0.4867 0.4979 1.2204 1.2226 2.1628 2.1652 2.3874 2.3984 2.6178 2.6279 2.7518 2.7569 3.2457 3.2465 3.2900 3.2958 3.4604 3.4606 4.8025 4.8049 5.1579 5.1613 5.4376 5.4411 12.4488 12.4505 12.6131 12.6136 13.2104 13.2299 13.3540 13.3588 13.8321 13.8458 k =-0.4399 0.4063-0.0000 ( 4190 PWs) bands (ev): -13.5463 -13.5463 -13.3174 -13.3174 -11.3702 -11.3701 -9.0736 -9.0694 -8.6741 -8.6719 -8.4545 -8.4471 -3.4913 -3.4908 -1.6756 -1.6723 -1.4376 -1.4374 -1.1344 -1.1320 -0.8127 -0.8110 -0.5171 -0.5071 0.5335 0.5452 1.2138 1.2164 2.1523 2.1544 2.3942 2.4047 2.6392 2.6493 2.7294 2.7353 3.2594 3.2604 3.2718 3.2786 3.4603 3.4605 4.8153 4.8181 5.1231 5.1267 5.4244 5.4281 12.4558 12.4584 12.6264 12.6269 13.2006 13.2168 13.3990 13.4010 13.8976 13.9113 k =-0.4314 0.4202-0.0000 ( 4194 PWs) bands (ev): -13.5484 -13.5483 -13.3181 -13.3181 -11.3555 -11.3554 -9.1216 -9.1175 -8.6659 -8.6634 -8.4298 -8.4221 -3.4871 -3.4866 -1.6761 -1.6724 -1.4464 -1.4462 -1.0714 -1.0685 -0.8252 -0.8233 -0.5791 -0.5691 0.5807 0.5927 1.2060 1.2089 2.1430 2.1449 2.3997 2.4094 2.6633 2.6731 2.7034 2.7102 3.2514 3.2589 3.2752 3.2767 3.4602 3.4606 4.8299 4.8330 5.0847 5.0884 5.4091 5.4129 12.4632 12.4668 12.6414 12.6421 13.1891 13.2022 13.4567 13.4570 13.9425 13.9437 k =-0.4228 0.4340-0.0000 ( 4204 PWs) bands (ev): -13.5508 -13.5507 -13.3188 -13.3188 -11.3389 -11.3388 -9.1706 -9.1666 -8.6566 -8.6538 -8.4070 -8.3990 -3.4826 -3.4820 -1.6723 -1.6682 -1.4563 -1.4561 -1.0051 -1.0017 -0.8390 -0.8368 -0.6426 -0.6325 0.6276 0.6399 1.1968 1.2000 2.1353 2.1368 2.4042 2.4128 2.6738 2.6800 2.6910 2.6989 3.2291 3.2375 3.2929 3.2949 3.4604 3.4609 4.8462 4.8497 5.0432 5.0470 5.3918 5.3957 12.4704 12.4753 12.6583 12.6590 13.1803 13.1907 13.5215 13.5235 13.9404 13.9424 k =-0.4142 0.4479-0.0000 ( 4202 PWs) bands (ev): -13.5535 -13.5534 -13.3196 -13.3196 -11.3204 -11.3203 -9.2202 -9.2164 -8.6463 -8.6431 -8.3862 -8.3780 -3.4777 -3.4771 -1.6641 -1.6597 -1.4673 -1.4670 -0.9358 -0.9319 -0.8539 -0.8514 -0.7067 -0.6967 0.6738 0.6864 1.1860 1.1894 2.1292 2.1305 2.4077 2.4152 2.6405 2.6482 2.7183 2.7261 3.2051 3.2143 3.3128 3.3154 3.4610 3.4618 4.8641 4.8680 4.9992 5.0031 5.3726 5.3765 12.4772 12.4834 12.6768 12.6776 13.1759 13.1838 13.5932 13.5964 13.9143 13.9174 k =-0.4056 0.4618-0.0000 ( 4202 PWs) bands (ev): -13.5565 -13.5564 -13.3203 -13.3203 -11.3000 -11.2999 -9.2703 -9.2667 -8.6350 -8.6316 -8.3676 -8.3592 -3.4727 -3.4720 -1.6515 -1.6468 -1.4793 -1.4791 -0.8708 -0.8671 -0.8635 -0.8598 -0.7706 -0.7610 0.7191 0.7318 1.1735 1.1772 2.1251 2.1262 2.4105 2.4168 2.6034 2.6118 2.7474 2.7542 3.1796 3.1896 3.3345 3.3381 3.4621 3.4634 4.8836 4.8878 4.9531 4.9569 5.3517 5.3556 12.4832 12.4907 12.6969 12.6979 13.1769 13.1826 13.6705 13.6747 13.8661 13.8694 k =-0.3970 0.4757-0.0000 ( 4214 PWs) bands (ev): -13.5599 -13.5598 -13.3211 -13.3211 -11.2777 -11.2775 -9.3206 -9.3172 -8.6227 -8.6190 -8.3511 -8.3426 -3.4676 -3.4669 -1.6347 -1.6297 -1.4924 -1.4921 -0.8867 -0.8834 -0.8405 -0.8297 -0.7845 -0.7809 0.7632 0.7760 1.1592 1.1632 2.1231 2.1240 2.4128 2.4179 2.5626 2.5715 2.7771 2.7828 3.1529 3.1635 3.3579 3.3629 3.4639 3.4662 4.9039 4.9052 4.9090 4.9096 5.3293 5.3332 12.4879 12.4968 12.7185 12.7195 13.1840 13.1876 13.7525 13.7574 13.8106 13.8138 k =-0.3885 0.4895-0.0000 ( 4218 PWs) bands (ev): -13.5636 -13.5635 -13.3218 -13.3218 -11.2535 -11.2533 -9.3711 -9.3678 -8.6096 -8.6056 -8.3369 -8.3283 -3.4626 -3.4618 -1.6139 -1.6087 -1.5065 -1.5062 -0.9065 -0.9006 -0.9004 -0.8927 -0.7096 -0.7052 0.8060 0.8189 1.1431 1.1473 2.1232 2.1240 2.4147 2.4187 2.5181 2.5274 2.8068 2.8113 3.1252 3.1365 3.3824 3.3896 3.4667 3.4706 4.8560 4.8596 4.9269 4.9315 5.3056 5.3094 12.4913 12.5015 12.7413 12.7425 13.1974 13.1991 13.7520 13.7553 13.8385 13.8440 k =-0.3799 0.5034-0.0000 ( 4225 PWs) bands (ev): -13.5677 -13.5676 -13.3225 -13.3225 -11.2274 -11.2272 -9.4215 -9.4184 -8.5956 -8.5913 -8.3250 -8.3162 -3.4576 -3.4568 -1.5894 -1.5839 -1.5216 -1.5213 -0.9674 -0.9568 -0.9213 -0.9178 -0.6308 -0.6259 0.8475 0.8603 1.1249 1.1293 2.1257 2.1264 2.4164 2.4194 2.4700 2.4796 2.8361 2.8394 3.0968 3.1086 3.4068 3.4174 3.4716 3.4782 4.8058 4.8093 4.9503 4.9553 5.2809 5.2846 12.4931 12.5045 12.7653 12.7666 13.2172 13.2172 13.6921 13.6953 13.9274 13.9333 k =-0.3713 0.5173-0.0000 ( 4223 PWs) bands (ev): -13.5722 -13.5721 -13.3232 -13.3232 -11.1995 -11.1993 -9.4718 -9.4689 -8.5809 -8.5763 -8.3153 -8.3064 -3.4530 -3.4521 -1.5617 -1.5559 -1.5376 -1.5374 -1.0305 -1.0199 -0.9393 -0.9354 -0.5500 -0.5447 0.8875 0.9004 1.1047 1.1092 2.1306 2.1312 2.4161 2.4201 2.4203 2.4282 2.8645 2.8666 3.0678 3.0800 3.4288 3.4437 3.4812 3.4915 4.7549 4.7584 4.9749 4.9801 5.2554 5.2590 12.4936 12.5059 12.7903 12.7916 13.2417 13.2432 13.6309 13.6340 14.0186 14.0249 k =-0.3627 0.5312-0.0000 ( 4227 PWs) bands (ev): -13.5770 -13.5769 -13.3237 -13.3237 -11.1697 -11.1695 -9.5218 -9.5190 -8.5654 -8.5605 -8.3078 -8.2988 -3.4487 -3.4478 -1.5553 -1.5545 -1.5307 -1.5254 -1.0918 -1.0813 -0.9573 -0.9530 -0.4676 -0.4619 0.9262 0.9390 1.0823 1.0870 2.1380 2.1386 2.3628 2.3731 2.4201 2.4211 2.8917 2.8925 3.0384 3.0510 3.4457 3.4620 3.5023 3.5132 4.7037 4.7070 5.0004 5.0058 5.2292 5.2326 12.4927 12.5057 12.8160 12.8175 13.2725 13.2752 13.5686 13.5717 14.0570 14.0571 k =-0.3541 0.5450-0.0000 ( 4231 PWs) bands (ev): -13.5823 -13.5822 -13.3242 -13.3242 -11.1381 -11.1379 -9.5713 -9.5687 -8.5492 -8.5441 -8.3023 -8.2933 -3.4450 -3.4440 -1.5732 -1.5725 -1.4995 -1.4941 -1.1500 -1.1393 -0.9750 -0.9703 -0.3840 -0.3779 0.9635 0.9764 1.0578 1.0626 2.1480 2.1486 2.3044 2.3147 2.4221 2.4223 2.9170 2.9173 3.0088 3.0217 3.4581 3.4726 3.5343 3.5427 4.6524 4.6556 5.0268 5.0324 5.2025 5.2059 12.4907 12.5043 12.8423 12.8438 13.3090 13.3128 13.5055 13.5085 14.0692 14.0692 k =-0.3456 0.5589-0.0000 ( 4229 PWs) bands (ev): -13.5879 -13.5878 -13.3246 -13.3246 -11.1047 -11.1045 -9.6204 -9.6179 -8.5325 -8.5270 -8.2990 -8.2899 -3.4419 -3.4409 -1.5924 -1.5916 -1.4701 -1.4650 -1.2021 -1.1910 -0.9921 -0.9872 -0.2993 -0.2928 0.9995 1.0123 1.0314 1.0361 2.1605 2.1612 2.2428 2.2532 2.4239 2.4244 2.9396 2.9411 2.9790 2.9922 3.4684 3.4814 3.5716 3.5777 4.6012 4.6042 5.0539 5.0598 5.1756 5.1788 12.4880 12.5019 12.8688 12.8704 13.3507 13.3553 13.4417 13.4445 14.0807 14.0808 k =-0.3456 0.5589-0.0000 ( 4229 PWs) bands (ev): -13.5879 -13.5878 -13.3246 -13.3246 -11.1047 -11.1045 -9.6204 -9.6179 -8.5325 -8.5270 -8.2990 -8.2899 -3.4419 -3.4409 -1.5924 -1.5916 -1.4701 -1.4650 -1.2021 -1.1910 -0.9921 -0.9872 -0.2993 -0.2928 0.9995 1.0123 1.0314 1.0361 2.1605 2.1612 2.2428 2.2532 2.4239 2.4244 2.9396 2.9411 2.9790 2.9922 3.4684 3.4814 3.5716 3.5777 4.6012 4.6042 5.0539 5.0598 5.1756 5.1788 12.4880 12.5019 12.8688 12.8704 13.3507 13.3553 13.4417 13.4445 14.0807 14.0808 k =-0.3456 0.5589 0.0163 ( 4226 PWs) bands (ev): -13.5877 -13.5876 -13.3248 -13.3247 -11.1037 -11.1035 -9.6198 -9.6173 -8.5349 -8.5295 -8.2999 -8.2909 -3.4394 -3.4384 -1.5928 -1.5920 -1.4835 -1.4782 -1.1862 -1.1753 -0.9905 -0.9856 -0.3029 -0.2965 1.0010 1.0137 1.0320 1.0367 2.1589 2.1596 2.2407 2.2511 2.4251 2.4255 2.9416 2.9432 2.9783 2.9913 3.4671 3.4798 3.5741 3.5799 4.6010 4.6040 5.0534 5.0593 5.1750 5.1782 12.4861 12.5000 12.8672 12.8687 13.3515 13.3560 13.4395 13.4424 14.0784 14.0785 k =-0.3456 0.5589 0.0326 ( 4225 PWs) bands (ev): -13.5871 -13.5870 -13.3251 -13.3251 -11.1008 -11.1005 -9.6181 -9.6156 -8.5424 -8.5370 -8.3028 -8.2938 -3.4320 -3.4310 -1.5940 -1.5932 -1.5167 -1.5111 -1.1453 -1.1347 -0.9857 -0.9807 -0.3136 -0.3074 1.0053 1.0178 1.0340 1.0387 2.1540 2.1548 2.2345 2.2446 2.4283 2.4289 2.9477 2.9493 2.9759 2.9886 3.4633 3.4753 3.5810 3.5861 4.6002 4.6031 5.0520 5.0578 5.1732 5.1764 12.4807 12.4945 12.8624 12.8639 13.3537 13.3579 13.4329 13.4358 14.0717 14.0719 k =-0.3456 0.5589 0.0489 ( 4224 PWs) bands (ev): -13.5862 -13.5861 -13.3257 -13.3257 -11.0958 -11.0956 -9.6152 -9.6128 -8.5547 -8.5494 -8.3076 -8.2986 -3.4198 -3.4189 -1.5961 -1.5953 -1.5591 -1.5534 -1.0901 -1.0797 -0.9775 -0.9727 -0.3312 -0.3251 1.0122 1.0243 1.0373 1.0420 2.1464 2.1472 2.2243 2.2340 2.4336 2.4341 2.9577 2.9592 2.9719 2.9842 3.4579 3.4690 3.5914 3.5957 4.5989 4.6018 5.0496 5.0553 5.1701 5.1733 12.4720 12.4857 12.8546 12.8561 13.3576 13.3613 13.4215 13.4244 14.0616 14.0618 k =-0.3456 0.5589 0.0652 ( 4222 PWs) bands (ev): -13.5850 -13.5849 -13.3265 -13.3265 -11.0889 -11.0886 -9.6112 -9.6088 -8.5718 -8.5666 -8.3143 -8.3054 -3.4029 -3.4021 -1.6058 -1.5992 -1.5979 -1.5979 -1.0268 -1.0166 -0.9661 -0.9613 -0.3551 -0.3493 1.0213 1.0328 1.0419 1.0465 2.1364 2.1372 2.2100 2.2193 2.4404 2.4411 2.9655 2.9712 2.9734 2.9779 3.4515 3.4618 3.6041 3.6078 4.5971 4.6000 5.0461 5.0519 5.1659 5.1690 12.4608 12.4743 12.8439 12.8454 13.3630 13.3660 13.4048 13.4077 14.0493 14.0496 k =-0.3456 0.5589 0.0816 ( 4228 PWs) bands (ev): -13.5833 -13.5832 -13.3275 -13.3275 -11.0800 -11.0798 -9.6060 -9.6036 -8.5935 -8.5884 -8.3228 -8.3140 -3.3815 -3.3808 -1.6507 -1.6447 -1.6025 -1.6019 -0.9597 -0.9501 -0.9484 -0.9465 -0.3847 -0.3794 1.0319 1.0425 1.0481 1.0524 2.1247 2.1256 2.1920 2.2007 2.4486 2.4494 2.9581 2.9693 2.9884 2.9902 3.4447 3.4545 3.6187 3.6218 4.5949 4.5977 5.0417 5.0474 5.1603 5.1634 12.4476 12.4610 12.8306 12.8321 13.3697 13.3719 13.3827 13.3857 14.0361 14.0365 k =-0.3456 0.5589 0.0979 ( 4222 PWs) bands (ev): -13.5814 -13.5813 -13.3287 -13.3287 -11.0691 -11.0689 -9.5997 -9.5974 -8.6197 -8.6146 -8.3331 -8.3245 -3.3559 -3.3553 -1.6950 -1.6892 -1.6072 -1.6066 -0.9337 -0.9286 -0.8863 -0.8765 -0.4195 -0.4146 1.0436 1.0524 1.0564 1.0596 2.1118 2.1128 2.1704 2.1784 2.4578 2.4587 2.9484 2.9589 3.0083 3.0101 3.4380 3.4473 3.6346 3.6374 4.5923 4.5950 5.0362 5.0418 5.1535 5.1566 12.4333 12.4466 12.8149 12.8164 13.3538 13.3565 13.3793 13.3809 14.0232 14.0237 k =-0.3456 0.5589 0.1142 ( 4217 PWs) bands (ev): -13.5791 -13.5790 -13.3302 -13.3302 -11.0563 -11.0561 -9.5923 -9.5900 -8.6501 -8.6451 -8.3452 -8.3367 -3.3264 -3.3258 -1.7374 -1.7317 -1.6129 -1.6123 -0.9120 -0.9071 -0.8122 -0.8023 -0.4588 -0.4542 1.0558 1.0618 1.0670 1.0682 2.0983 2.0994 2.1453 2.1526 2.4679 2.4689 2.9366 2.9461 3.0308 3.0327 3.4317 3.4406 3.6516 3.6541 4.5893 4.5920 5.0296 5.0351 5.1455 5.1484 12.4188 12.4319 12.7970 12.7984 13.3207 13.3234 13.3895 13.3902 14.0114 14.0120 k =-0.3456 0.5589 0.1305 ( 4231 PWs) bands (ev): -13.5764 -13.5763 -13.3319 -13.3319 -11.0415 -11.0413 -9.5837 -9.5814 -8.6844 -8.6795 -8.3591 -8.3508 -3.2932 -3.2927 -1.7773 -1.7718 -1.6196 -1.6190 -0.8869 -0.8822 -0.7365 -0.7266 -0.5014 -0.4972 1.0678 1.0717 1.0780 1.0782 2.0847 2.0859 2.1170 2.1234 2.4786 2.4798 2.9225 2.9310 3.0554 3.0573 3.4260 3.4346 3.6693 3.6717 4.5861 4.5886 5.0218 5.0273 5.1361 5.1390 12.4048 12.4178 12.7767 12.7781 13.2834 13.2860 13.4013 13.4014 14.0009 14.0015 k =-0.3456 0.5589 0.1468 ( 4231 PWs) bands (ev): -13.5735 -13.5734 -13.3338 -13.3338 -11.0248 -11.0246 -9.5740 -9.5718 -8.7224 -8.7177 -8.3747 -8.3665 -3.2567 -3.2564 -1.8144 -1.8091 -1.6273 -1.6267 -0.8583 -0.8537 -0.6615 -0.6521 -0.5451 -0.5409 1.0794 1.0826 1.0891 1.0891 2.0714 2.0726 2.0858 2.0913 2.4898 2.4911 2.9059 2.9134 3.0814 3.0835 3.4211 3.4294 3.6878 3.6902 4.5827 4.5851 5.0129 5.0183 5.1254 5.1282 12.3921 12.4050 12.7541 12.7555 13.2437 13.2461 13.4139 13.4149 13.9916 13.9921 k =-0.3456 0.5589 0.1631 ( 4223 PWs) bands (ev): -13.5702 -13.5701 -13.3360 -13.3360 -11.0061 -11.0060 -9.5631 -9.5610 -8.7639 -8.7593 -8.3918 -8.3838 -3.2173 -3.2171 -1.8485 -1.8435 -1.6361 -1.6355 -0.8262 -0.8217 -0.6176 -0.6133 -0.5594 -0.5504 1.0902 1.0946 1.0993 1.1014 2.0509 2.0555 2.0596 2.0610 2.5014 2.5028 2.8868 2.8932 3.1085 3.1106 3.4171 3.4253 3.7070 3.7093 4.5791 4.5814 5.0027 5.0080 5.1135 5.1162 12.3814 12.3942 12.7289 12.7302 13.2034 13.2056 13.4280 13.4297 13.9828 13.9833 k =-0.3456 0.5589 0.1794 ( 4228 PWs) bands (ev): -13.5666 -13.5665 -13.3384 -13.3384 -10.9855 -10.9854 -9.5512 -9.5491 -8.8085 -8.8040 -8.4105 -8.4028 -3.1753 -3.1753 -1.8796 -1.8748 -1.6460 -1.6454 -0.7904 -0.7861 -0.6575 -0.6548 -0.4914 -0.4811 1.0996 1.1058 1.1101 1.1150 2.0144 2.0184 2.0477 2.0495 2.5131 2.5148 2.8650 2.8703 3.1359 3.1381 3.4144 3.4224 3.7266 3.7290 4.5755 4.5777 4.9912 4.9965 5.1002 5.1028 12.3732 12.3860 12.7008 12.7022 13.1644 13.1665 13.4433 13.4459 13.9740 13.9745 k =-0.3456 0.5589 0.1957 ( 4222 PWs) bands (ev): -13.5627 -13.5626 -13.3410 -13.3410 -10.9630 -10.9630 -9.5381 -9.5362 -8.8559 -8.8516 -8.4307 -8.4232 -3.1312 -3.1311 -1.9076 -1.9030 -1.6570 -1.6565 -0.7512 -0.7470 -0.7094 -0.7072 -0.4126 -0.4023 1.1075 1.1136 1.1242 1.1298 1.9752 1.9784 2.0377 2.0397 2.5249 2.5268 2.8404 2.8445 3.1629 3.1653 3.4133 3.4211 3.7467 3.7492 4.5720 4.5742 4.9784 4.9836 5.0857 5.0882 12.3681 12.3809 12.6699 12.6712 13.1287 13.1306 13.4597 13.4631 13.9644 13.9649 k =-0.3456 0.5589 0.2120 ( 4222 PWs) bands (ev): -13.5586 -13.5585 -13.3438 -13.3438 -10.9387 -10.9386 -9.5240 -9.5221 -8.9060 -8.9018 -8.4524 -8.4451 -3.0854 -3.0851 -1.9324 -1.9280 -1.6692 -1.6687 -0.7643 -0.7622 -0.7079 -0.7041 -0.3327 -0.3223 1.1135 1.1189 1.1401 1.1459 1.9339 1.9361 2.0296 2.0319 2.5366 2.5387 2.8130 2.8159 3.1889 3.1913 3.4141 3.4217 3.7673 3.7699 4.5687 4.5707 4.9643 4.9693 5.0701 5.0724 12.3665 12.3793 12.6361 12.6374 13.0976 13.0993 13.4770 13.4812 13.9533 13.9538 k =-0.3456 0.5589 0.2284 ( 4216 PWs) bands (ev): -13.5541 -13.5540 -13.3469 -13.3469 -10.9124 -10.9124 -9.5087 -9.5070 -8.9583 -8.9543 -8.4753 -8.4682 -3.0380 -3.0377 -1.9539 -1.9498 -1.6826 -1.6821 -0.8202 -0.8184 -0.6615 -0.6579 -0.2526 -0.2423 1.1175 1.1223 1.1573 1.1634 1.8905 1.8919 2.0236 2.0261 2.5480 2.5502 2.7826 2.7844 3.2129 3.2154 3.4172 3.4245 3.7885 3.7912 4.5657 4.5676 4.9487 4.9536 5.0533 5.0555 12.3687 12.3815 12.6000 12.6014 13.0720 13.0734 13.4946 13.4997 13.9400 13.9405 k =-0.3456 0.5589 0.2447 ( 4216 PWs) bands (ev): -13.5495 -13.5494 -13.3502 -13.3501 -10.8843 -10.8843 -9.4924 -9.4908 -9.0126 -9.0088 -8.4995 -8.4927 -2.9896 -2.9891 -1.9721 -1.9683 -1.6971 -1.6966 -0.8769 -0.8755 -0.6114 -0.6081 -0.1730 -0.1628 1.1196 1.1236 1.1757 1.1819 1.8453 1.8460 2.0200 2.0228 2.5589 2.5613 2.7494 2.7499 3.2344 3.2367 3.4230 3.4298 3.8102 3.8131 4.5630 4.5649 4.9316 4.9364 5.0354 5.0375 12.3749 12.3877 12.5625 12.5639 13.0521 13.0534 13.5123 13.5182 13.9238 13.9244 k =-0.3456 0.5589 0.2610 ( 4218 PWs) bands (ev): -13.5446 -13.5444 -13.3536 -13.3536 -10.8544 -10.8543 -9.4751 -9.4735 -9.0687 -9.0651 -8.5248 -8.5183 -2.9403 -2.9397 -1.9871 -1.9836 -1.7129 -1.7124 -0.9342 -0.9330 -0.5580 -0.5549 -0.0944 -0.0842 1.1195 1.1229 1.1952 1.2016 1.7985 1.7986 2.0191 2.0221 2.5690 2.5716 2.7127 2.7133 3.2527 3.2547 3.4316 3.4378 3.8327 3.8357 4.5609 4.5627 4.9130 4.9177 5.0166 5.0185 12.3853 12.3981 12.5248 12.5263 13.0378 13.0390 13.5294 13.5361 13.9041 13.9047 k =-0.3456 0.5589 0.2773 ( 4218 PWs) bands (ev): -13.5394 -13.5393 -13.3573 -13.3573 -10.8227 -10.8225 -9.4567 -9.4553 -9.1263 -9.1228 -8.5512 -8.5450 -2.8905 -2.8898 -1.9989 -1.9956 -1.7299 -1.7294 -0.9916 -0.9907 -0.5011 -0.4984 -0.0171 -0.0069 1.1174 1.1201 1.2157 1.2222 1.7498 1.7505 2.0210 2.0243 2.5781 2.5808 2.6726 2.6744 3.2677 3.2693 3.4427 3.4480 3.8561 3.8591 4.5593 4.5611 4.8929 4.8975 4.9969 4.9987 12.3999 12.4127 12.4880 12.4897 13.0287 13.0298 13.5451 13.5527 13.8801 13.8808 k =-0.3456 0.5589 0.2936 ( 4227 PWs) bands (ev): -13.5341 -13.5340 -13.3613 -13.3612 -10.7892 -10.7890 -9.4372 -9.4360 -9.1852 -9.1819 -8.5786 -8.5726 -2.8404 -2.8397 -2.0074 -2.0044 -1.7481 -1.7477 -1.0489 -1.0482 -0.4411 -0.4387 0.0585 0.0686 1.1133 1.1154 1.2368 1.2435 1.7003 1.7016 2.0260 2.0295 2.5859 2.5888 2.6299 2.6328 3.2797 3.2810 3.4554 3.4599 3.8805 3.8836 4.5585 4.5603 4.8713 4.8757 4.9765 4.9781 12.4188 12.4315 12.4535 12.4554 13.0240 13.0250 13.5585 13.5670 13.8510 13.8520 k =-0.3456 0.5589 0.3099 ( 4226 PWs) bands (ev): -13.5285 -13.5284 -13.3654 -13.3654 -10.7539 -10.7536 -9.4168 -9.4157 -9.2451 -9.2419 -8.6068 -8.6012 -2.7904 -2.7896 -2.0127 -2.0100 -1.7675 -1.7671 -1.1059 -1.1053 -0.3780 -0.3760 0.1321 0.1420 1.1072 1.1087 1.2582 1.2648 1.6506 1.6523 2.0341 2.0380 2.5840 2.5878 2.5929 2.5958 3.2894 3.2903 3.4687 3.4723 3.9062 3.9093 4.5585 4.5602 4.8482 4.8525 4.9555 4.9570 12.4223 12.4242 12.4419 12.4548 13.0230 13.0240 13.5685 13.5778 13.8160 13.8174 k =-0.3456 0.5589 0.3262 ( 4226 PWs) bands (ev): -13.5229 -13.5227 -13.3697 -13.3697 -10.7168 -10.7165 -9.3954 -9.3944 -9.3058 -9.3028 -8.6359 -8.6305 -2.7405 -2.7397 -2.0149 -2.0123 -1.7881 -1.7878 -1.1624 -1.1619 -0.3120 -0.3104 0.2033 0.2130 1.0993 1.1001 1.2786 1.2850 1.6019 1.6037 2.0456 2.0496 2.5367 2.5419 2.5967 2.6001 3.2975 3.2981 3.4815 3.4842 3.9332 3.9363 4.5593 4.5610 4.8235 4.8277 4.9340 4.9353 12.3955 12.3977 12.4691 12.4819 13.0248 13.0258 13.5737 13.5838 13.7746 13.7764 k =-0.3456 0.5589 0.3425 ( 4226 PWs) bands (ev): -13.5170 -13.5169 -13.3742 -13.3742 -10.6781 -10.6777 -9.3732 -9.3724 -9.3670 -9.3642 -8.6656 -8.6605 -2.6911 -2.6902 -2.0139 -2.0116 -1.8100 -1.8097 -1.2181 -1.2178 -0.2433 -0.2422 0.2718 0.2813 1.0895 1.0898 1.2961 1.3018 1.5568 1.5581 2.0604 2.0646 2.4869 2.4931 2.5990 2.6026 3.3048 3.3052 3.4927 3.4947 3.9618 3.9649 4.5611 4.5628 4.7973 4.8013 4.9122 4.9133 12.3739 12.3763 12.5002 12.5130 13.0283 13.0292 13.5728 13.5836 13.7269 13.7292 k =-0.3456 0.5589 0.3588 ( 4224 PWs) bands (ev): -13.5110 -13.5109 -13.3790 -13.3789 -10.6377 -10.6372 -9.4290 -9.4263 -9.3497 -9.3490 -8.6960 -8.6912 -2.6422 -2.6413 -2.0098 -2.0077 -1.8330 -1.8328 -1.2729 -1.2727 -0.1722 -0.1716 0.3373 0.3466 1.0777 1.0780 1.3059 1.3098 1.5201 1.5204 2.0784 2.0828 2.4353 2.4424 2.5990 2.6028 3.3119 3.3122 3.5018 3.5030 3.9919 3.9950 4.5639 4.5655 4.7697 4.7736 4.8903 4.8912 12.3581 12.3607 12.5352 12.5479 13.0322 13.0330 13.5647 13.5760 13.6738 13.6767 k =-0.3456 0.5589 0.3752 ( 4230 PWs) bands (ev): -13.5049 -13.5048 -13.3839 -13.3838 -10.5956 -10.5951 -9.4910 -9.4884 -9.3255 -9.3250 -8.7268 -8.7223 -2.5940 -2.5931 -2.0027 -2.0008 -1.8573 -1.8571 -1.3266 -1.3265 -0.0989 -0.0988 0.3996 0.4087 1.0641 1.0649 1.2998 1.3007 1.4981 1.5012 2.0996 2.1042 2.3820 2.3901 2.5963 2.6004 3.3192 3.3195 3.5082 3.5087 4.0236 4.0266 4.5678 4.5694 4.7406 4.7444 4.8682 4.8689 12.3486 12.3514 12.5737 12.5863 13.0345 13.0352 13.5487 13.5603 13.6180 13.6214 k =-0.3456 0.5589 0.3915 ( 4234 PWs) bands (ev): -13.4987 -13.4986 -13.3889 -13.3889 -10.5519 -10.5513 -9.5532 -9.5507 -9.3004 -9.3001 -8.7581 -8.7539 -2.5466 -2.5457 -1.9926 -1.9909 -1.8828 -1.8826 -1.3791 -1.3791 -0.0242 -0.0238 0.4587 0.4675 1.0489 1.0502 1.2701 1.2723 1.4975 1.5036 2.1238 2.1285 2.3275 2.3364 2.5909 2.5952 3.3270 3.3275 3.5116 3.5117 4.0567 4.0597 4.5728 4.5743 4.7102 4.7139 4.8462 4.8468 12.3458 12.3488 12.6155 12.6280 13.0326 13.0331 13.5248 13.5365 13.5636 13.5673 k =-0.3456 0.5589 0.4078 ( 4231 PWs) bands (ev): -13.4924 -13.4923 -13.3942 -13.3941 -10.5066 -10.5060 -9.6152 -9.6129 -9.2745 -9.2744 -8.7896 -8.7857 -2.5002 -2.4993 -1.9795 -1.9781 -1.9095 -1.9094 -1.4303 -1.4303 0.0520 0.0529 0.5143 0.5228 1.0323 1.0341 1.2235 1.2274 1.5141 1.5222 2.1506 2.1555 2.2721 2.2817 2.5826 2.5870 3.3357 3.3363 3.5117 3.5122 4.0912 4.0941 4.5790 4.5804 4.6786 4.6822 4.8245 4.8248 12.3499 12.3531 12.6604 12.6728 13.0232 13.0232 13.4934 13.5051 13.5158 13.5195 k =-0.3456 0.5589 0.4241 ( 4227 PWs) bands (ev): -13.4860 -13.4859 -13.3996 -13.3996 -10.4599 -10.4591 -9.6771 -9.6749 -9.2478 -9.2478 -8.8215 -8.8178 -2.4547 -2.4538 -1.9637 -1.9625 -1.9373 -1.9372 -1.4801 -1.4800 0.1294 0.1309 0.5665 0.5746 1.0142 1.0165 1.1675 1.1725 1.5410 1.5502 2.1798 2.1847 2.2162 2.2263 2.5712 2.5758 3.3453 3.3460 3.5089 3.5099 4.1268 4.1297 4.5863 4.5877 4.6458 4.6492 4.8031 4.8032 12.3611 12.3645 12.7080 12.7203 13.0023 13.0028 13.4556 13.4673 13.4797 13.4830 k =-0.3456 0.5589 0.4404 ( 4229 PWs) bands (ev): -13.4796 -13.4795 -13.4052 -13.4051 -10.4116 -10.4108 -9.7385 -9.7365 -9.2206 -9.2203 -8.8534 -8.8501 -2.4102 -2.4094 -1.9669 -1.9669 -1.9446 -1.9435 -1.5282 -1.5281 0.2078 0.2098 0.6153 0.6231 0.9947 0.9974 1.1059 1.1114 1.5740 1.5839 2.1598 2.1705 2.2110 2.2160 2.5567 2.5614 3.3559 3.3568 3.5036 3.5049 4.1634 4.1662 4.5948 4.5960 4.6120 4.6152 4.7821 4.7821 12.3794 12.3830 12.7581 12.7703 12.9683 12.9695 13.4125 13.4240 13.4586 13.4615 k =-0.3456 0.5589 0.4567 ( 4231 PWs) bands (ev): -13.4732 -13.4731 -13.4109 -13.4108 -10.3619 -10.3610 -9.7996 -9.7976 -9.1926 -9.1921 -8.8854 -8.8824 -2.3669 -2.3661 -1.9971 -1.9971 -1.9233 -1.9224 -1.5746 -1.5745 0.2867 0.2893 0.6608 0.6682 0.9737 0.9769 1.0407 1.0464 1.6111 1.6214 2.1037 2.1149 2.2436 2.2487 2.5391 2.5440 3.3675 3.3686 3.4960 3.4975 4.2007 4.2034 4.5769 4.5802 4.6045 4.6059 4.7615 4.7617 12.4046 12.4084 12.8102 12.8224 12.9222 12.9240 13.3649 13.3763 13.4528 13.4552 k =-0.3456 0.5589 0.4730 ( 4237 PWs) bands (ev): -13.4668 -13.4667 -13.4168 -13.4167 -10.3108 -10.3098 -9.8600 -9.8582 -9.1639 -9.1632 -8.9174 -8.9147 -2.3246 -2.3239 -2.0287 -2.0286 -1.8991 -1.8984 -1.6191 -1.6191 0.3659 0.3691 0.7031 0.7101 0.9513 0.9548 0.9726 0.9783 1.6513 1.6621 2.0481 2.0596 2.2771 2.2822 2.5186 2.5235 3.3799 3.3812 3.4864 3.4881 4.2385 4.2413 4.5412 4.5444 4.6153 4.6166 4.7416 4.7419 12.4367 12.4406 12.8601 12.8694 12.8711 12.8764 13.3140 13.3253 13.4600 13.4619 k =-0.3456 0.5589 0.4893 ( 4237 PWs) bands (ev): -13.4603 -13.4602 -13.4227 -13.4226 -10.2584 -10.2573 -9.9197 -9.9180 -9.1347 -9.1337 -8.9493 -8.9469 -2.2835 -2.2829 -2.0615 -2.0613 -1.8724 -1.8718 -1.6618 -1.6618 0.4451 0.4488 0.7424 0.7490 0.9018 0.9077 0.9273 0.9314 1.6941 1.7053 1.9932 2.0049 2.3111 2.3162 2.4951 2.5002 3.3931 3.3946 3.4751 3.4770 4.2767 4.2795 4.5047 4.5078 4.6274 4.6286 4.7224 4.7229 12.4752 12.4792 12.8064 12.8099 12.9201 12.9316 13.2604 13.2717 13.4771 13.4786 k =-0.3456 0.5589 0.5057 ( 4232 PWs) bands (ev): -13.4539 -13.4538 -13.4288 -13.4287 -10.2047 -10.2035 -9.9787 -9.9771 -9.1048 -9.1036 -8.9811 -8.9789 -2.2436 -2.2430 -2.0956 -2.0953 -1.8432 -1.8427 -1.7025 -1.7024 0.5238 0.5280 0.7790 0.7851 0.8293 0.8350 0.9016 0.9061 1.7393 1.7508 1.9394 1.9512 2.3450 2.3501 2.4691 2.4742 3.4069 3.4085 3.4626 3.4645 4.3151 4.3179 4.4676 4.4706 4.6406 4.6417 4.7041 4.7047 12.5199 12.5239 12.7447 12.7484 12.9765 12.9880 13.2050 13.2162 13.5013 13.5025 k =-0.3456 0.5589 0.5220 ( 4236 PWs) bands (ev): -13.4475 -13.4475 -13.4350 -13.4349 -10.1498 -10.1486 -10.0367 -10.0353 -9.0745 -9.0731 -9.0126 -9.0106 -2.2048 -2.2043 -2.1308 -2.1304 -1.8114 -1.8111 -1.7410 -1.7409 0.6019 0.6066 0.7548 0.7602 0.8130 0.8188 0.8741 0.8790 1.7866 1.7983 1.8868 1.8987 2.3782 2.3833 2.4406 2.4458 3.4210 3.4228 3.4492 3.4511 4.3535 4.3564 4.4299 4.4328 4.6549 4.6559 4.6867 4.6875 12.5700 12.5740 12.6835 12.6874 13.0337 13.0450 13.1484 13.1597 13.5307 13.5317 k =-0.3456 0.5589 0.5383 ( 4240 PWs) bands (ev): -13.4412 -13.4412 -13.4411 -13.4411 -10.0938 -10.0938 -10.0924 -10.0924 -9.0437 -9.0437 -9.0420 -9.0420 -2.1672 -2.1672 -2.1668 -2.1668 -1.7774 -1.7774 -1.7771 -1.7771 0.6790 0.6790 0.6841 0.6841 0.8446 0.8446 0.8500 0.8500 1.8358 1.8358 1.8477 1.8477 2.4102 2.4102 2.4154 2.4154 3.4352 3.4352 3.4371 3.4371 4.3919 4.3919 4.3947 4.3947 4.6703 4.6703 4.6712 4.6712 12.6249 12.6249 12.6289 12.6289 13.0911 13.0911 13.1024 13.1024 13.5639 13.5639 k =-0.3456 0.5589 0.5383 ( 4240 PWs) bands (ev): -13.4412 -13.4412 -13.4411 -13.4411 -10.0938 -10.0938 -10.0924 -10.0924 -9.0437 -9.0437 -9.0420 -9.0420 -2.1672 -2.1672 -2.1668 -2.1668 -1.7774 -1.7774 -1.7771 -1.7771 0.6790 0.6790 0.6841 0.6841 0.8446 0.8446 0.8500 0.8500 1.8358 1.8358 1.8477 1.8477 2.4102 2.4102 2.4154 2.4154 3.4352 3.4352 3.4371 3.4371 4.3919 4.3919 4.3947 4.3947 4.6703 4.6703 4.6712 4.6712 12.6249 12.6249 12.6289 12.6289 13.0911 13.0911 13.1024 13.1024 13.5639 13.5639 k =-0.3541 0.5450 0.5383 ( 4236 PWs) bands (ev): -13.4386 -13.4386 -13.4385 -13.4385 -10.1230 -10.1230 -10.1217 -10.1217 -9.0105 -9.0105 -9.0088 -9.0088 -2.1326 -2.1326 -2.1322 -2.1322 -1.8495 -1.8495 -1.8492 -1.8492 0.6989 0.6989 0.7040 0.7040 0.8508 0.8508 0.8559 0.8559 1.8464 1.8464 1.8580 1.8580 2.4186 2.4186 2.4235 2.4235 3.4312 3.4312 3.4329 3.4329 4.3623 4.3623 4.3652 4.3652 4.7035 4.7035 4.7044 4.7044 12.5800 12.5800 12.5839 12.5839 13.0826 13.0826 13.0934 13.0934 13.5852 13.5852 k =-0.3627 0.5312 0.5383 ( 4244 PWs) bands (ev): -13.4361 -13.4361 -13.4361 -13.4361 -10.1507 -10.1507 -10.1495 -10.1495 -8.9779 -8.9779 -8.9763 -8.9763 -2.1000 -2.1000 -2.0996 -2.0996 -1.9195 -1.9195 -1.9191 -1.9191 0.7167 0.7167 0.7217 0.7217 0.8571 0.8571 0.8618 0.8618 1.8579 1.8579 1.8692 1.8692 2.4274 2.4274 2.4321 2.4321 3.4268 3.4268 3.4283 3.4283 4.3343 4.3343 4.3372 4.3372 4.7371 4.7371 4.7380 4.7380 12.5341 12.5341 12.5379 12.5379 13.0731 13.0731 13.0833 13.0833 13.6083 13.6083 k =-0.3713 0.5173 0.5383 ( 4252 PWs) bands (ev): -13.4338 -13.4338 -13.4337 -13.4337 -10.1768 -10.1768 -10.1757 -10.1757 -8.9462 -8.9462 -8.9447 -8.9447 -2.0694 -2.0694 -2.0689 -2.0689 -1.9869 -1.9869 -1.9865 -1.9865 0.7324 0.7324 0.7373 0.7373 0.8632 0.8632 0.8676 0.8676 1.8700 1.8700 1.8810 1.8810 2.4366 2.4366 2.4411 2.4411 3.4222 3.4222 3.4235 3.4235 4.3079 4.3079 4.3107 4.3107 4.7709 4.7709 4.7718 4.7718 12.4880 12.4880 12.4916 12.4916 13.0632 13.0632 13.0729 13.0729 13.6322 13.6323 k =-0.3799 0.5034 0.5383 ( 4248 PWs) bands (ev): -13.4316 -13.4316 -13.4315 -13.4315 -10.2015 -10.2015 -10.2004 -10.2004 -8.9156 -8.9156 -8.9141 -8.9141 -2.0523 -2.0523 -2.0518 -2.0518 -2.0400 -2.0400 -2.0396 -2.0396 0.7461 0.7461 0.7509 0.7509 0.8693 0.8693 0.8734 0.8734 1.8826 1.8826 1.8931 1.8931 2.4459 2.4459 2.4502 2.4502 3.4173 3.4173 3.4185 3.4185 4.2830 4.2830 4.2858 4.2858 4.8047 4.8047 4.8055 4.8055 12.4425 12.4425 12.4460 12.4460 13.0536 13.0536 13.0627 13.0627 13.6563 13.6564 k =-0.3885 0.4895 0.5383 ( 4252 PWs) bands (ev): -13.4295 -13.4295 -13.4295 -13.4295 -10.2245 -10.2245 -10.2234 -10.2234 -8.8861 -8.8861 -8.8847 -8.8847 -2.1136 -2.1136 -2.1130 -2.1130 -2.0138 -2.0138 -2.0133 -2.0133 0.7582 0.7582 0.7627 0.7627 0.8753 0.8753 0.8791 0.8791 1.8954 1.8954 1.9054 1.9054 2.4553 2.4553 2.4594 2.4594 3.4123 3.4123 3.4133 3.4133 4.2599 4.2599 4.2626 4.2626 4.8380 4.8380 4.8388 4.8388 12.3983 12.3983 12.4016 12.4016 13.0446 13.0446 13.0532 13.0532 13.6799 13.6799 k =-0.3970 0.4757 0.5383 ( 4264 PWs) bands (ev): -13.4276 -13.4276 -13.4275 -13.4275 -10.2459 -10.2459 -10.2449 -10.2449 -8.8579 -8.8579 -8.8566 -8.8566 -2.1719 -2.1719 -2.1714 -2.1714 -1.9890 -1.9890 -1.9886 -1.9886 0.7686 0.7686 0.7729 0.7729 0.8811 0.8811 0.8846 0.8846 1.9082 1.9082 1.9176 1.9176 2.4647 2.4647 2.4685 2.4685 3.4071 3.4071 3.4081 3.4081 4.2384 4.2384 4.2410 4.2410 4.8706 4.8706 4.8714 4.8714 12.3559 12.3559 12.3590 12.3590 13.0366 13.0366 13.0446 13.0446 13.7026 13.7028 k =-0.4056 0.4618 0.5383 ( 4264 PWs) bands (ev): -13.4258 -13.4258 -13.4258 -13.4258 -10.2656 -10.2656 -10.2648 -10.2648 -8.8313 -8.8313 -8.8301 -8.8301 -2.2268 -2.2268 -2.2262 -2.2262 -1.9663 -1.9663 -1.9659 -1.9659 0.7776 0.7776 0.7816 0.7816 0.8866 0.8866 0.8898 0.8898 1.9207 1.9207 1.9295 1.9295 2.4738 2.4738 2.4773 2.4773 3.4019 3.4019 3.4028 3.4028 4.2187 4.2187 4.2211 4.2211 4.9023 4.9023 4.9030 4.9030 12.3157 12.3157 12.3186 12.3186 13.0299 13.0299 13.0373 13.0373 13.7242 13.7243 k =-0.4142 0.4479 0.5383 ( 4252 PWs) bands (ev): -13.4242 -13.4242 -13.4241 -13.4241 -10.2838 -10.2838 -10.2830 -10.2830 -8.8063 -8.8063 -8.8052 -8.8052 -2.2778 -2.2778 -2.2772 -2.2772 -1.9455 -1.9455 -1.9451 -1.9451 0.7852 0.7852 0.7890 0.7890 0.8919 0.8919 0.8948 0.8948 1.9328 1.9328 1.9409 1.9409 2.4825 2.4825 2.4858 2.4858 3.3968 3.3968 3.3976 3.3976 4.2007 4.2007 4.2030 4.2030 4.9326 4.9326 4.9332 4.9332 12.2781 12.2781 12.2807 12.2807 13.0247 13.0247 13.0315 13.0315 13.7442 13.7443 k =-0.4228 0.4340 0.5383 ( 4248 PWs) bands (ev): -13.4227 -13.4227 -13.4227 -13.4227 -10.3002 -10.3002 -10.2995 -10.2995 -8.7832 -8.7832 -8.7821 -8.7821 -2.3247 -2.3247 -2.3242 -2.3242 -1.9266 -1.9266 -1.9263 -1.9263 0.7918 0.7918 0.7952 0.7952 0.8969 0.8969 0.8995 0.8995 1.9442 1.9442 1.9517 1.9517 2.4909 2.4909 2.4939 2.4939 3.3919 3.3919 3.3926 3.3926 4.1844 4.1844 4.1866 4.1866 4.9612 4.9612 4.9618 4.9618 12.2433 12.2433 12.2456 12.2456 13.0211 13.0211 13.0273 13.0273 13.7627 13.7627 k =-0.4314 0.4202 0.5383 ( 4250 PWs) bands (ev): -13.4214 -13.4214 -13.4214 -13.4214 -10.3149 -10.3149 -10.3143 -10.3143 -8.7620 -8.7620 -8.7610 -8.7610 -2.3674 -2.3674 -2.3669 -2.3669 -1.9098 -1.9098 -1.9095 -1.9095 0.7973 0.7973 0.8004 0.8004 0.9015 0.9015 0.9038 0.9038 1.9549 1.9549 1.9616 1.9616 2.4987 2.4987 2.5014 2.5014 3.3871 3.3871 3.3878 3.3878 4.1699 4.1699 4.1719 4.1719 4.9878 4.9878 4.9883 4.9883 12.2116 12.2116 12.2137 12.2137 13.0191 13.0191 13.0247 13.0247 13.7794 13.7794 k =-0.4399 0.4063 0.5383 ( 4254 PWs) bands (ev): -13.4202 -13.4202 -13.4202 -13.4202 -10.3280 -10.3280 -10.3274 -10.3274 -8.7429 -8.7429 -8.7420 -8.7420 -2.4055 -2.4055 -2.4051 -2.4051 -1.8950 -1.8950 -1.8947 -1.8947 0.8019 0.8019 0.8046 0.8046 0.9057 0.9057 0.9077 0.9077 1.9647 1.9647 1.9706 1.9706 2.5058 2.5058 2.5082 2.5082 3.3827 3.3827 3.3833 3.3833 4.1572 4.1572 4.1590 4.1590 5.0121 5.0121 5.0126 5.0126 12.1832 12.1832 12.1851 12.1851 13.0186 13.0186 13.0235 13.0235 13.7942 13.7942 k =-0.4485 0.3924 0.5383 ( 4246 PWs) bands (ev): -13.4192 -13.4192 -13.4192 -13.4192 -10.3393 -10.3393 -10.3388 -10.3388 -8.7260 -8.7260 -8.7253 -8.7253 -2.4390 -2.4390 -2.4386 -2.4386 -1.8821 -1.8821 -1.8818 -1.8818 0.8057 0.8057 0.8081 0.8081 0.9094 0.9094 0.9112 0.9112 1.9734 1.9734 1.9785 1.9785 2.5122 2.5122 2.5143 2.5143 3.3787 3.3787 3.3792 3.3792 4.1462 4.1462 4.1477 4.1477 5.0339 5.0339 5.0343 5.0343 12.1583 12.1583 12.1599 12.1599 13.0193 13.0193 13.0236 13.0236 13.8071 13.8071 k =-0.4571 0.3785 0.5383 ( 4244 PWs) bands (ev): -13.4183 -13.4183 -13.4183 -13.4183 -10.3489 -10.3489 -10.3485 -10.3485 -8.7115 -8.7115 -8.7109 -8.7109 -2.4676 -2.4676 -2.4673 -2.4673 -1.8712 -1.8712 -1.8710 -1.8710 0.8089 0.8089 0.8108 0.8108 0.9127 0.9127 0.9142 0.9142 1.9810 1.9810 1.9853 1.9853 2.5177 2.5177 2.5195 2.5195 3.3752 3.3752 3.3756 3.3756 4.1369 4.1369 4.1383 4.1383 5.0528 5.0528 5.0531 5.0531 12.1370 12.1370 12.1383 12.1383 13.0210 13.0210 13.0246 13.0246 13.8180 13.8180 k =-0.4657 0.3646 0.5383 ( 4236 PWs) bands (ev): -13.4176 -13.4176 -13.4176 -13.4176 -10.3568 -10.3568 -10.3564 -10.3564 -8.6995 -8.6995 -8.6990 -8.6990 -2.4912 -2.4912 -2.4909 -2.4909 -1.8623 -1.8623 -1.8621 -1.8621 0.8113 0.8113 0.8129 0.8129 0.9154 0.9154 0.9166 0.9166 1.9875 1.9875 1.9909 1.9909 2.5224 2.5224 2.5239 2.5239 3.3722 3.3722 3.3725 3.3725 4.1294 4.1294 4.1305 4.1305 5.0686 5.0686 5.0689 5.0689 12.1195 12.1195 12.1205 12.1205 13.0233 13.0233 13.0262 13.0262 13.8270 13.8270 k =-0.4743 0.3508 0.5383 ( 4228 PWs) bands (ev): -13.4171 -13.4171 -13.4171 -13.4171 -10.3629 -10.3629 -10.3626 -10.3626 -8.6901 -8.6901 -8.6897 -8.6897 -2.5097 -2.5097 -2.5095 -2.5095 -1.8553 -1.8553 -1.8552 -1.8552 0.8133 0.8133 0.8145 0.8145 0.9176 0.9176 0.9185 0.9185 1.9926 1.9926 1.9952 1.9952 2.5262 2.5262 2.5273 2.5273 3.3698 3.3698 3.3701 3.3701 4.1236 4.1236 4.1244 4.1244 5.0812 5.0812 5.0814 5.0814 12.1057 12.1057 12.1066 12.1066 13.0258 13.0258 13.0280 13.0280 13.8340 13.8340 k =-0.4828 0.3369 0.5383 ( 4220 PWs) bands (ev): -13.4167 -13.4167 -13.4167 -13.4167 -10.3672 -10.3672 -10.3670 -10.3670 -8.6832 -8.6832 -8.6830 -8.6830 -2.5230 -2.5230 -2.5228 -2.5228 -1.8504 -1.8504 -1.8503 -1.8503 0.8147 0.8147 0.8155 0.8155 0.9193 0.9193 0.9198 0.9198 1.9965 1.9965 1.9982 1.9982 2.5289 2.5289 2.5297 2.5297 3.3681 3.3681 3.3683 3.3683 4.1195 4.1195 4.1200 4.1200 5.0902 5.0902 5.0904 5.0904 12.0959 12.0959 12.0965 12.0965 13.0280 13.0280 13.0295 13.0295 13.8389 13.8389 k =-0.4914 0.3230 0.5383 ( 4224 PWs) bands (ev): -13.4164 -13.4164 -13.4164 -13.4164 -10.3698 -10.3698 -10.3697 -10.3697 -8.6791 -8.6791 -8.6789 -8.6789 -2.5310 -2.5310 -2.5309 -2.5309 -1.8474 -1.8474 -1.8474 -1.8474 0.8156 0.8156 0.8160 0.8160 0.9203 0.9203 0.9206 0.9206 1.9990 1.9990 1.9998 1.9998 2.5307 2.5307 2.5310 2.5310 3.3671 3.3671 3.3672 3.3672 4.1171 4.1171 4.1174 4.1174 5.0957 5.0957 5.0958 5.0958 12.0901 12.0901 12.0904 12.0904 13.0297 13.0297 13.0304 13.0304 13.8419 13.8419 k =-0.5000 0.3091 0.5383 ( 4228 PWs) bands (ev): -13.4164 -13.4164 -13.4164 -13.4164 -10.3706 -10.3706 -10.3706 -10.3706 -8.6776 -8.6776 -8.6776 -8.6776 -2.5336 -2.5336 -2.5336 -2.5336 -1.8464 -1.8464 -1.8464 -1.8464 0.8160 0.8160 0.8160 0.8160 0.9207 0.9207 0.9207 0.9207 2.0001 2.0001 2.0001 2.0001 2.5314 2.5314 2.5314 2.5314 3.3668 3.3668 3.3668 3.3668 4.1164 4.1164 4.1164 4.1164 5.0976 5.0976 5.0976 5.0976 12.0882 12.0882 12.0882 12.0882 13.0305 13.0305 13.0305 13.0305 13.8429 13.8429 k =-0.5000 0.3091 0.5383 ( 4228 PWs) bands (ev): -13.4164 -13.4164 -13.4164 -13.4164 -10.3706 -10.3706 -10.3706 -10.3706 -8.6776 -8.6776 -8.6776 -8.6776 -2.5336 -2.5336 -2.5336 -2.5336 -1.8464 -1.8464 -1.8464 -1.8464 0.8160 0.8160 0.8160 0.8160 0.9207 0.9207 0.9207 0.9207 2.0001 2.0001 2.0001 2.0001 2.5314 2.5314 2.5314 2.5314 3.3668 3.3668 3.3668 3.3668 4.1164 4.1164 4.1164 4.1164 5.0976 5.0976 5.0976 5.0976 12.0882 12.0882 12.0882 12.0882 13.0305 13.0305 13.0305 13.0305 13.8429 13.8429 k =-0.5000 0.3091 0.5220 ( 4228 PWs) bands (ev): -13.4218 -13.4218 -13.4110 -13.4110 -10.4291 -10.4291 -10.3110 -10.3110 -8.6832 -8.6832 -8.6723 -8.6723 -2.5380 -2.5380 -2.5260 -2.5260 -1.8835 -1.8835 -1.8117 -1.8117 0.7180 0.7180 0.9120 0.9120 0.9147 0.9147 0.9271 0.9271 1.9747 1.9747 2.0280 2.0280 2.5269 2.5269 2.5343 2.5343 3.3617 3.3617 3.3684 3.3684 4.0792 4.0792 4.1539 4.1539 5.0973 5.0973 5.0988 5.0988 12.0922 12.0922 12.0928 12.0928 13.0220 13.0220 13.0362 13.0362 13.8012 13.8012 k =-0.5000 0.3091 0.5057 ( 4232 PWs) bands (ev): -13.4272 -13.4272 -13.4057 -13.4057 -10.4864 -10.4864 -10.2503 -10.2503 -8.6890 -8.6890 -8.6671 -8.6671 -2.5393 -2.5393 -2.5153 -2.5153 -1.9230 -1.9230 -1.7792 -1.7792 0.6206 0.6206 0.9034 0.9034 0.9318 0.9318 1.0103 1.0103 1.9526 1.9526 2.0577 2.0577 2.5209 2.5209 2.5356 2.5356 3.3527 3.3527 3.3670 3.3670 4.0427 4.0427 4.1914 4.1914 5.0979 5.0979 5.1009 5.1009 12.1044 12.1044 12.1060 12.1060 13.0113 13.0113 13.0387 13.0387 13.7581 13.7581 k =-0.5000 0.3091 0.4893 ( 4236 PWs) bands (ev): -13.4327 -13.4327 -13.4005 -13.4005 -10.5423 -10.5423 -10.1885 -10.1885 -8.6950 -8.6950 -8.6622 -8.6622 -2.5374 -2.5374 -2.5015 -2.5015 -1.9651 -1.9651 -1.7488 -1.7488 0.5247 0.5247 0.8922 0.8922 0.9351 0.9351 1.1036 1.1036 1.9351 1.9351 2.0889 2.0889 2.5135 2.5135 2.5351 2.5351 3.3397 3.3397 3.3630 3.3630 4.0072 4.0072 4.2287 4.2287 5.0996 5.0996 5.1037 5.1037 12.1245 12.1245 12.1278 12.1278 12.9989 12.9989 13.0373 13.0373 13.7142 13.7142 k =-0.5000 0.3091 0.4730 ( 4238 PWs) bands (ev): -13.4382 -13.4382 -13.3953 -13.3953 -10.5969 -10.5969 -10.1258 -10.1258 -8.7011 -8.7011 -8.6575 -8.6575 -2.5323 -2.5323 -2.4846 -2.4846 -2.0098 -2.0098 -1.7204 -1.7204 0.4308 0.4308 0.8791 0.8791 0.9369 0.9369 1.1919 1.1919 1.9241 1.9241 2.1212 2.1212 2.5048 2.5048 2.5329 2.5329 3.3224 3.3224 3.3570 3.3570 3.9730 3.9730 4.2655 4.2655 5.1023 5.1023 5.1073 5.1073 12.1522 12.1522 12.1583 12.1583 12.9853 12.9853 13.0318 13.0318 13.6699 13.6699 k =-0.5000 0.3091 0.4567 ( 4246 PWs) bands (ev): -13.4436 -13.4436 -13.3903 -13.3903 -10.6500 -10.6500 -10.0624 -10.0624 -8.7073 -8.7073 -8.6531 -8.6531 -2.5240 -2.5240 -2.4647 -2.4647 -2.0573 -2.0573 -1.6939 -1.6939 0.3395 0.3395 0.8640 0.8640 0.9372 0.9372 1.2720 1.2720 1.9220 1.9220 2.1544 2.1544 2.4950 2.4950 2.5289 2.5289 3.3007 3.3007 3.3494 3.3494 3.9402 3.9402 4.3015 4.3015 5.1061 5.1061 5.1115 5.1115 12.1868 12.1868 12.1974 12.1974 12.9710 12.9710 13.0218 13.0218 13.6259 13.6259 k =-0.5000 0.3091 0.4404 ( 4240 PWs) bands (ev): -13.4491 -13.4491 -13.3854 -13.3854 -10.7017 -10.7017 -9.9982 -9.9982 -8.7137 -8.7137 -8.6489 -8.6489 -2.5126 -2.5126 -2.4418 -2.4418 -2.1076 -2.1076 -1.6691 -1.6691 0.2511 0.2511 0.8468 0.8468 0.9360 0.9360 1.3404 1.3404 1.9323 1.9323 2.1881 2.1881 2.4840 2.4840 2.5232 2.5232 3.2748 3.2748 3.3407 3.3407 3.9090 3.9090 4.3366 4.3366 5.1110 5.1110 5.1164 5.1164 12.2278 12.2278 12.2448 12.2448 12.9563 12.9563 13.0074 13.0074 13.5829 13.5829 k =-0.5000 0.3091 0.4241 ( 4240 PWs) bands (ev): -13.4545 -13.4545 -13.3806 -13.3806 -10.7518 -10.7518 -9.9334 -9.9334 -8.7201 -8.7201 -8.6450 -8.6450 -2.4981 -2.4981 -2.4160 -2.4160 -2.1606 -2.1606 -1.6460 -1.6460 0.1662 0.1662 0.8272 0.8272 0.9331 0.9331 1.3934 1.3934 1.9582 1.9582 2.2222 2.2222 2.4721 2.4721 2.5159 2.5159 3.2451 3.2451 3.3312 3.3312 3.8794 3.8794 4.3705 4.3705 5.1170 5.1170 5.1219 5.1219 12.2742 12.2742 12.3004 12.3004 12.9418 12.9418 12.9888 12.9888 13.5416 13.5416 k =-0.5000 0.3091 0.4078 ( 4242 PWs) bands (ev): -13.4599 -13.4599 -13.3759 -13.3759 -10.8004 -10.8004 -9.8682 -9.8682 -8.7266 -8.7266 -8.6414 -8.6414 -2.4806 -2.4806 -2.3875 -2.3875 -2.2163 -2.2163 -1.6244 -1.6244 0.0849 0.0849 0.8052 0.8052 0.9285 0.9285 1.4294 1.4294 2.0011 2.0011 2.2565 2.2565 2.4592 2.4592 2.5070 2.5070 3.2119 3.2119 3.3214 3.3214 3.8513 3.8513 4.4033 4.4033 5.1243 5.1243 5.1278 5.1278 12.3251 12.3251 12.3638 12.3638 12.9276 12.9276 12.9664 12.9664 13.5030 13.5030 k =-0.5000 0.3091 0.3915 ( 4242 PWs) bands (ev): -13.4652 -13.4652 -13.3713 -13.3713 -10.8473 -10.8473 -9.8026 -9.8026 -8.7332 -8.7332 -8.6380 -8.6380 -2.4600 -2.4600 -2.3562 -2.3562 -2.2747 -2.2747 -1.6043 -1.6043 0.0075 0.0075 0.7805 0.7805 0.9220 0.9220 1.4492 1.4492 2.0595 2.0595 2.2909 2.2909 2.4456 2.4456 2.4968 2.4968 3.1758 3.1758 3.3115 3.3115 3.8246 3.8246 4.4346 4.4346 5.1326 5.1326 5.1343 5.1343 12.3791 12.3791 12.4346 12.4346 12.9141 12.9141 12.9408 12.9408 13.4681 13.4681 k =-0.5000 0.3091 0.3752 ( 4242 PWs) bands (ev): -13.4704 -13.4704 -13.3669 -13.3669 -10.8926 -10.8926 -9.7368 -9.7368 -8.7397 -8.7397 -8.6348 -8.6348 -2.4365 -2.4365 -2.3357 -2.3357 -2.3222 -2.3222 -1.5855 -1.5855 -0.0659 -0.0659 0.7529 0.7529 0.9135 0.9135 1.4565 1.4565 2.1299 2.1299 2.3253 2.3253 2.4312 2.4312 2.4856 2.4856 3.1374 3.1374 3.3019 3.3019 3.7991 3.7991 4.4646 4.4646 5.1407 5.1407 5.1427 5.1427 12.4348 12.4348 12.5124 12.5124 12.9013 12.9013 12.9127 12.9127 13.4383 13.4383 k =-0.5000 0.3091 0.3588 ( 4242 PWs) bands (ev): -13.4756 -13.4756 -13.3626 -13.3626 -10.9362 -10.9362 -9.6710 -9.6710 -8.7462 -8.7462 -8.6319 -8.6319 -2.4102 -2.4102 -2.3986 -2.3986 -2.2859 -2.2859 -1.5681 -1.5681 -0.1350 -0.1350 0.7224 0.7224 0.9028 0.9028 1.4547 1.4547 2.2080 2.2080 2.3594 2.3594 2.4164 2.4164 2.4735 2.4735 3.0975 3.0975 3.2927 3.2927 3.7747 3.7747 4.4931 4.4931 5.1478 5.1478 5.1535 5.1535 12.4901 12.4901 12.5967 12.5967 12.8813 12.8813 12.8911 12.8911 13.4153 13.4153 k =-0.5000 0.3091 0.3425 ( 4242 PWs) bands (ev): -13.4806 -13.4806 -13.3585 -13.3585 -10.9780 -10.9780 -9.6053 -9.6053 -8.7527 -8.7527 -8.6293 -8.6293 -2.4639 -2.4639 -2.3809 -2.3809 -2.2472 -2.2472 -1.5518 -1.5518 -0.1999 -0.1999 0.6888 0.6888 0.8898 0.8898 1.4471 1.4471 2.2904 2.2904 2.3929 2.3929 2.4014 2.4014 2.4610 2.4610 3.0566 3.0566 3.2839 3.2839 3.7513 3.7513 4.5201 4.5201 5.1552 5.1552 5.1657 5.1657 12.5428 12.5428 12.6870 12.6870 12.8500 12.8500 12.8809 12.8809 13.4009 13.4009 k =-0.5000 0.3091 0.3262 ( 4238 PWs) bands (ev): -13.4856 -13.4856 -13.3546 -13.3546 -11.0181 -11.0181 -9.5400 -9.5400 -8.7592 -8.7592 -8.6269 -8.6269 -2.5307 -2.5307 -2.3491 -2.3491 -2.2062 -2.2062 -1.5367 -1.5367 -0.2606 -0.2606 0.6522 0.6522 0.8743 0.8743 1.4359 1.4359 2.3745 2.3745 2.3852 2.3852 2.4271 2.4271 2.4483 2.4483 3.0154 3.0154 3.2758 3.2758 3.7286 3.7286 4.5455 4.5455 5.1627 5.1627 5.1791 5.1791 12.5902 12.5902 12.7824 12.7824 12.8177 12.8177 12.8727 12.8727 13.3974 13.3974 k =-0.5000 0.3091 0.3099 ( 4250 PWs) bands (ev): -13.4903 -13.4903 -13.3508 -13.3508 -11.0564 -11.0564 -9.4752 -9.4752 -8.7655 -8.7655 -8.6247 -8.6247 -2.5989 -2.5989 -2.3148 -2.3148 -2.1631 -2.1631 -1.5227 -1.5227 -0.3171 -0.3171 0.6124 0.6124 0.8561 0.8561 1.4224 1.4224 2.3694 2.3694 2.4354 2.4354 2.4532 2.4532 2.4658 2.4658 2.9745 2.9745 3.2684 3.2684 3.7066 3.7066 4.5694 4.5694 5.1703 5.1703 5.1936 5.1936 12.6298 12.6298 12.7847 12.7847 12.8658 12.8658 12.8834 12.8834 13.4068 13.4068 k =-0.5000 0.3091 0.2936 ( 4246 PWs) bands (ev): -13.4950 -13.4950 -13.3472 -13.3472 -11.0929 -11.0929 -9.4111 -9.4111 -8.7717 -8.7717 -8.6227 -8.6227 -2.6680 -2.6680 -2.2780 -2.2780 -2.1182 -2.1182 -1.5097 -1.5097 -0.3695 -0.3695 0.5696 0.5696 0.8352 0.8352 1.4077 1.4077 2.3537 2.3537 2.4233 2.4233 2.4902 2.4902 2.5441 2.5441 2.9345 2.9345 3.2615 3.2615 3.6852 3.6852 4.5918 4.5918 5.1780 5.1780 5.2093 5.2093 12.6597 12.6597 12.7523 12.7523 12.8619 12.8619 12.9869 12.9869 13.4304 13.4304 k =-0.5000 0.3091 0.2773 ( 4242 PWs) bands (ev): -13.4994 -13.4994 -13.3437 -13.3437 -11.1275 -11.1275 -9.3480 -9.3480 -8.7777 -8.7777 -8.6209 -8.6209 -2.7376 -2.7376 -2.2390 -2.2390 -2.0716 -2.0716 -1.4977 -1.4977 -0.4178 -0.4178 0.5238 0.5238 0.8115 0.8115 1.3924 1.3924 2.3381 2.3381 2.4118 2.4118 2.5216 2.5216 2.6251 2.6251 2.8957 2.8957 3.2553 3.2553 3.6645 3.6645 4.6126 4.6126 5.1857 5.1857 5.2260 5.2260 12.6791 12.6791 12.7204 12.7204 12.8598 12.8598 13.0936 13.0936 13.4684 13.4684 k =-0.5000 0.3091 0.2610 ( 4252 PWs) bands (ev): -13.5037 -13.5037 -13.3405 -13.3405 -11.1603 -11.1603 -9.2861 -9.2861 -8.7836 -8.7836 -8.6193 -8.6193 -2.8072 -2.8072 -2.1979 -2.1979 -2.0235 -2.0235 -1.4866 -1.4866 -0.4623 -0.4623 0.4753 0.4753 0.7849 0.7849 1.3770 1.3770 2.3230 2.3230 2.4010 2.4010 2.5518 2.5518 2.7035 2.7035 2.8585 2.8585 3.2496 3.2496 3.6444 3.6444 4.6319 4.6319 5.1933 5.1933 5.2436 5.2436 12.6857 12.6857 12.6926 12.6926 12.8601 12.8601 13.2019 13.2019 13.5193 13.5193 k =-0.5000 0.3091 0.2447 ( 4244 PWs) bands (ev): -13.5078 -13.5078 -13.3374 -13.3374 -11.1912 -11.1912 -9.2257 -9.2257 -8.7892 -8.7892 -8.6179 -8.6179 -2.8763 -2.8763 -2.1550 -2.1550 -1.9743 -1.9743 -1.4764 -1.4764 -0.5032 -0.5032 0.4243 0.4243 0.7555 0.7555 1.3618 1.3618 2.3085 2.3085 2.3913 2.3913 2.5809 2.5809 2.7785 2.7785 2.8233 2.8233 3.2445 3.2445 3.6249 3.6249 4.6497 4.6497 5.2008 5.2008 5.2620 5.2620 12.6586 12.6586 12.6916 12.6916 12.8628 12.8628 13.3103 13.3103 13.5806 13.5806 k =-0.5000 0.3091 0.2284 ( 4246 PWs) bands (ev): -13.5117 -13.5117 -13.3345 -13.3345 -11.2202 -11.2202 -9.1670 -9.1670 -8.7946 -8.7946 -8.6167 -8.6167 -2.9443 -2.9443 -2.1104 -2.1104 -1.9241 -1.9241 -1.4671 -1.4671 -0.5404 -0.5404 0.3711 0.3711 0.7235 0.7235 1.3470 1.3470 2.2948 2.2948 2.3827 2.3827 2.6087 2.6087 2.7899 2.7899 2.8499 2.8499 3.2398 3.2398 3.6062 3.6062 4.6661 4.6661 5.2081 5.2081 5.2811 5.2811 12.6301 12.6301 12.6875 12.6875 12.8681 12.8681 13.4169 13.4169 13.6493 13.6493 k =-0.5000 0.3091 0.2120 ( 4246 PWs) bands (ev): -13.5154 -13.5154 -13.3319 -13.3319 -11.2472 -11.2472 -9.1103 -9.1103 -8.7998 -8.7998 -8.6156 -8.6156 -3.0108 -3.0108 -2.0645 -2.0645 -1.8734 -1.8734 -1.4585 -1.4585 -0.5743 -0.5743 0.3162 0.3162 0.6890 0.6890 1.3328 1.3328 2.2821 2.2821 2.3752 2.3752 2.6351 2.6351 2.7590 2.7590 2.9170 2.9170 3.2355 3.2355 3.5882 3.5882 4.6810 4.6810 5.2152 5.2152 5.3005 5.3005 12.6030 12.6030 12.6795 12.6795 12.8761 12.8761 13.5191 13.5191 13.6421 13.6421 k =-0.5000 0.3091 0.1957 ( 4238 PWs) bands (ev): -13.5189 -13.5189 -13.3294 -13.3294 -11.2723 -11.2723 -9.0560 -9.0560 -8.8046 -8.8046 -8.6147 -8.6147 -3.0751 -3.0751 -2.0176 -2.0176 -1.8224 -1.8224 -1.4507 -1.4507 -0.6051 -0.6051 0.2600 0.2600 0.6524 0.6524 1.3194 1.3194 2.2706 2.2706 2.3689 2.3689 2.6601 2.6601 2.7303 2.7303 2.9797 2.9797 3.2315 3.2315 3.5710 3.5710 4.6946 4.6946 5.2219 5.2219 5.3202 5.3202 12.5775 12.5775 12.6691 12.6691 12.8870 12.8870 13.6133 13.6133 13.6236 13.6236 k =-0.5000 0.3091 0.1794 ( 4234 PWs) bands (ev): -13.5221 -13.5221 -13.3271 -13.3271 -11.2955 -11.2955 -9.0044 -9.0044 -8.8092 -8.8092 -8.6138 -8.6138 -3.1369 -3.1369 -1.9701 -1.9701 -1.7717 -1.7717 -1.4437 -1.4437 -0.6327 -0.6327 0.2031 0.2031 0.6142 0.6142 1.3068 1.3068 2.2602 2.2602 2.3636 2.3636 2.6835 2.6835 2.7040 2.7040 3.0377 3.0377 3.2279 3.2279 3.5548 3.5548 4.7069 4.7069 5.2284 5.2284 5.3399 5.3399 12.5538 12.5538 12.6574 12.6574 12.9006 12.9006 13.6041 13.6041 13.6963 13.6963 k =-0.5000 0.3091 0.1631 ( 4226 PWs) bands (ev): -13.5251 -13.5251 -13.3250 -13.3250 -11.3167 -11.3167 -8.9557 -8.9557 -8.8134 -8.8134 -8.6131 -8.6131 -3.1954 -3.1954 -1.9224 -1.9224 -1.7217 -1.7217 -1.4373 -1.4373 -0.6575 -0.6575 0.1460 0.1460 0.5749 0.5749 1.2951 1.2951 2.2512 2.2512 2.3594 2.3594 2.6798 2.6798 2.7054 2.7054 3.0908 3.0908 3.2246 3.2246 3.5396 3.5396 4.7178 4.7178 5.2345 5.2345 5.3592 5.3592 12.5320 12.5320 12.6452 12.6452 12.9171 12.9171 13.5850 13.5850 13.7636 13.7636 k =-0.5000 0.3091 0.1468 ( 4216 PWs) bands (ev): -13.5279 -13.5279 -13.3230 -13.3230 -11.3359 -11.3359 -8.9104 -8.9104 -8.8173 -8.8173 -8.6125 -8.6125 -3.2503 -3.2503 -1.8751 -1.8751 -1.6730 -1.6730 -1.4316 -1.4316 -0.6794 -0.6794 0.0896 0.0896 0.5351 0.5351 1.2844 1.2844 2.2435 2.2435 2.3561 2.3561 2.6581 2.6581 2.7254 2.7254 3.1390 3.1390 3.2216 3.2216 3.5256 3.5256 4.7276 4.7276 5.2401 5.2401 5.3780 5.3780 12.5121 12.5121 12.6333 12.6333 12.9366 12.9366 13.5663 13.5663 13.8140 13.8140 k =-0.5000 0.3091 0.1305 ( 4212 PWs) bands (ev): -13.5303 -13.5303 -13.3213 -13.3213 -11.3531 -11.3531 -8.8687 -8.8687 -8.8208 -8.8208 -8.6120 -8.6120 -3.3009 -3.3009 -1.8288 -1.8288 -1.6262 -1.6262 -1.4266 -1.4266 -0.6988 -0.6988 0.0345 0.0345 0.4957 0.4957 1.2748 1.2748 2.2371 2.2371 2.3536 2.3536 2.6386 2.6386 2.7436 2.7436 3.1822 3.1822 3.2189 3.2189 3.5127 3.5127 4.7361 4.7361 5.2452 5.2452 5.3958 5.3958 12.4942 12.4942 12.6220 12.6220 12.9587 12.9587 13.5484 13.5484 13.8490 13.8490 k =-0.5000 0.3091 0.1142 ( 4214 PWs) bands (ev): -13.5325 -13.5325 -13.3198 -13.3198 -11.3683 -11.3683 -8.8310 -8.8310 -8.8239 -8.8239 -8.6116 -8.6116 -3.3469 -3.3469 -1.7842 -1.7842 -1.5819 -1.5819 -1.4223 -1.4223 -0.7156 -0.7156 -0.0182 -0.0182 0.4575 0.4575 1.2661 1.2661 2.2318 2.2318 2.3517 2.3517 2.6213 2.6213 2.7598 2.7598 3.2162 3.2162 3.2205 3.2205 3.5011 3.5011 4.7435 4.7435 5.2499 5.2499 5.4124 5.4124 12.4784 12.4784 12.6116 12.6116 12.9835 12.9835 13.5316 13.5316 13.8407 13.8407 k =-0.5000 0.3091 0.0979 ( 4212 PWs) bands (ev): -13.5344 -13.5344 -13.3185 -13.3185 -11.3815 -11.3815 -8.8268 -8.8268 -8.7975 -8.7975 -8.6113 -8.6113 -3.3878 -3.3878 -1.7423 -1.7423 -1.5411 -1.5411 -1.4185 -1.4185 -0.7300 -0.7300 -0.0675 -0.0675 0.4214 0.4214 1.2586 1.2586 2.2277 2.2277 2.3504 2.3504 2.6063 2.6063 2.7740 2.7740 3.2142 3.2142 3.2533 3.2533 3.4909 3.4909 4.7499 4.7499 5.2540 5.2540 5.4276 5.4276 12.4646 12.4646 12.6023 12.6023 13.0105 13.0105 13.5162 13.5162 13.7737 13.7737 k =-0.5000 0.3091 0.0816 ( 4202 PWs) bands (ev): -13.5361 -13.5361 -13.3174 -13.3174 -11.3927 -11.3927 -8.8291 -8.8291 -8.7686 -8.7686 -8.6110 -8.6110 -3.4231 -3.4231 -1.7039 -1.7039 -1.5045 -1.5045 -1.4153 -1.4153 -0.7420 -0.7420 -0.1124 -0.1124 0.3885 0.3885 1.2522 1.2522 2.2245 2.2245 2.3496 2.3496 2.5936 2.5936 2.7862 2.7862 3.2124 3.2124 3.2812 3.2812 3.4821 3.4821 4.7552 4.7552 5.2575 5.2575 5.4409 5.4409 12.4530 12.4530 12.5944 12.5944 13.0393 13.0393 13.5027 13.5027 13.7103 13.7103 k =-0.5000 0.3091 0.0652 ( 4192 PWs) bands (ev): -13.5374 -13.5374 -13.3165 -13.3165 -11.4019 -11.4019 -8.8311 -8.8311 -8.7446 -8.7446 -8.6108 -8.6108 -3.4526 -3.4526 -1.6703 -1.6703 -1.4730 -1.4730 -1.4127 -1.4127 -0.7518 -0.7518 -0.1515 -0.1515 0.3597 0.3597 1.2470 1.2470 2.2221 2.2221 2.3491 2.3491 2.5831 2.5831 2.7962 2.7962 3.2108 3.2108 3.3039 3.3039 3.4749 3.4749 4.7594 4.7594 5.2604 5.2604 5.4523 5.4523 12.4434 12.4434 12.5877 12.5877 13.0687 13.0687 13.4912 13.4912 13.6518 13.6518 k =-0.5000 0.3091 0.0489 ( 4184 PWs) bands (ev): -13.5384 -13.5384 -13.3158 -13.3158 -11.4090 -11.4090 -8.8326 -8.8326 -8.7257 -8.7257 -8.6106 -8.6106 -3.4758 -3.4758 -1.6425 -1.6425 -1.4474 -1.4474 -1.4105 -1.4105 -0.7593 -0.7593 -0.1837 -0.1837 0.3361 0.3361 1.2429 1.2429 2.2205 2.2205 2.3488 2.3488 2.5749 2.5749 2.8041 2.8041 3.2096 3.2096 3.3216 3.3216 3.4692 3.4692 4.7627 4.7627 5.2627 5.2627 5.4613 5.4613 12.4360 12.4360 12.5826 12.5826 13.0974 13.0974 13.4820 13.4820 13.6004 13.6004 k =-0.5000 0.3091 0.0326 ( 4184 PWs) bands (ev): -13.5392 -13.5392 -13.3153 -13.3153 -11.4141 -11.4141 -8.8337 -8.8337 -8.7120 -8.7120 -8.6105 -8.6105 -3.4926 -3.4926 -1.6216 -1.6216 -1.4288 -1.4288 -1.4088 -1.4088 -0.7646 -0.7646 -0.2078 -0.2078 0.3184 0.3184 1.2400 1.2400 2.2194 2.2194 2.3486 2.3486 2.5691 2.5691 2.8097 2.8097 3.2087 3.2087 3.3342 3.3342 3.4650 3.4650 4.7650 4.7650 5.2644 5.2644 5.4679 5.4679 12.4306 12.4306 12.5789 12.5789 13.1226 13.1226 13.4752 13.4752 13.5587 13.5587 k =-0.5000 0.3091 0.0163 ( 4178 PWs) bands (ev): -13.5396 -13.5396 -13.3150 -13.3150 -11.4171 -11.4171 -8.8343 -8.8343 -8.7038 -8.7038 -8.6104 -8.6104 -3.5027 -3.5027 -1.6086 -1.6086 -1.4180 -1.4180 -1.4071 -1.4071 -0.7678 -0.7678 -0.2227 -0.2227 0.3076 0.3076 1.2382 1.2382 2.2188 2.2188 2.3486 2.3486 2.5655 2.5655 2.8131 2.8131 3.2082 3.2082 3.3418 3.3418 3.4626 3.4626 4.7664 4.7664 5.2654 5.2654 5.4719 5.4719 12.4274 12.4274 12.5766 12.5766 13.1407 13.1407 13.4710 13.4710 13.5309 13.5309 k =-0.5000 0.3091 0.0000 ( 4170 PWs) bands (ev): -13.5398 -13.5398 -13.3149 -13.3149 -11.4181 -11.4181 -8.8346 -8.8346 -8.7010 -8.7010 -8.6104 -8.6104 -3.5061 -3.5061 -1.6042 -1.6042 -1.4147 -1.4147 -1.4061 -1.4061 -0.7689 -0.7689 -0.2277 -0.2277 0.3039 0.3039 1.2376 1.2376 2.2186 2.2186 2.3486 2.3486 2.5643 2.5643 2.8143 2.8143 3.2080 3.2080 3.3443 3.3443 3.4617 3.4617 4.7669 4.7669 5.2657 5.2657 5.4733 5.4733 12.4264 12.4264 12.5759 12.5759 13.1473 13.1473 13.4696 13.4696 13.5210 13.5210 k = 0.0000 0.0000 0.5383 ( 4212 PWs) bands (ev): -13.5530 -13.5530 -13.5530 -13.5530 -9.9373 -9.9373 -9.9373 -9.9373 -8.6802 -8.6802 -8.6802 -8.6802 -3.9761 -3.9761 -3.9761 -3.9761 -0.4837 -0.4837 -0.4837 -0.4837 0.0398 0.0398 0.0398 0.0398 0.9033 0.9033 0.9033 0.9033 2.1212 2.1212 2.1212 2.1212 2.6634 2.6634 2.6634 2.6634 3.7690 3.7690 3.7690 3.7690 4.2198 4.2198 4.2198 4.2198 5.5504 5.5504 5.5504 5.5504 11.8410 11.8410 11.8410 11.8410 12.4861 12.4861 12.4861 12.4861 13.1590 13.1590 k =-0.0139 0.0086 0.5383 ( 4208 PWs) bands (ev): -13.5528 -13.5528 -13.5527 -13.5527 -9.9382 -9.9382 -9.9382 -9.9382 -8.6802 -8.6802 -8.6800 -8.6800 -3.9745 -3.9745 -3.9742 -3.9742 -0.4862 -0.4862 -0.4861 -0.4861 0.0417 0.0417 0.0419 0.0419 0.9044 0.9044 0.9045 0.9045 2.1174 2.1174 2.1177 2.1177 2.6662 2.6662 2.6666 2.6666 3.7681 3.7681 3.7682 3.7682 4.2185 4.2185 4.2186 4.2186 5.5500 5.5500 5.5501 5.5501 11.8406 11.8406 11.8409 11.8409 12.4879 12.4879 12.4886 12.4886 13.1595 13.1595 k =-0.0278 0.0172 0.5383 ( 4214 PWs) bands (ev): -13.5521 -13.5521 -13.5520 -13.5520 -9.9409 -9.9409 -9.9408 -9.9408 -8.6801 -8.6801 -8.6798 -8.6798 -3.9693 -3.9693 -3.9688 -3.9688 -0.4937 -0.4937 -0.4933 -0.4933 0.0475 0.0475 0.0480 0.0480 0.9078 0.9078 0.9081 0.9081 2.1067 2.1067 2.1073 2.1073 2.6746 2.6746 2.6754 2.6754 3.7656 3.7656 3.7658 3.7658 4.2146 4.2146 4.2149 4.2149 5.5491 5.5491 5.5491 5.5491 11.8400 11.8400 11.8405 11.8405 12.4941 12.4941 12.4954 12.4954 13.1612 13.1612 k =-0.0417 0.0258 0.5383 ( 4214 PWs) bands (ev): -13.5509 -13.5509 -13.5508 -13.5508 -9.9454 -9.9454 -9.9452 -9.9452 -8.6798 -8.6798 -8.6794 -8.6794 -3.9607 -3.9607 -3.9598 -3.9598 -0.5057 -0.5057 -0.5052 -0.5052 0.0570 0.0570 0.0577 0.0577 0.9135 0.9135 0.9139 0.9139 2.0897 2.0897 2.0906 2.0906 2.6881 2.6881 2.6893 2.6893 3.7615 3.7615 3.7618 3.7618 4.2083 4.2083 4.2088 4.2088 5.5474 5.5474 5.5475 5.5475 11.8390 11.8390 11.8398 11.8398 12.5043 12.5043 12.5063 12.5063 13.1640 13.1640 k =-0.0556 0.0343 0.5383 ( 4214 PWs) bands (ev): -13.5492 -13.5492 -13.5491 -13.5491 -9.9516 -9.9516 -9.9514 -9.9514 -8.6795 -8.6795 -8.6789 -8.6789 -3.9486 -3.9486 -3.9474 -3.9474 -0.5220 -0.5220 -0.5213 -0.5213 0.0699 0.0699 0.0708 0.0708 0.9214 0.9214 0.9219 0.9219 2.0672 2.0672 2.0683 2.0683 2.7058 2.7058 2.7072 2.7072 3.7557 3.7557 3.7561 3.7561 4.1997 4.1997 4.2004 4.2004 5.5449 5.5449 5.5450 5.5450 11.8381 11.8381 11.8392 11.8392 12.5184 12.5184 12.5210 12.5210 13.1680 13.1680 k =-0.0694 0.0429 0.5383 ( 4222 PWs) bands (ev): -13.5471 -13.5471 -13.5470 -13.5470 -9.9594 -9.9594 -9.9591 -9.9591 -8.6790 -8.6790 -8.6783 -8.6783 -3.9330 -3.9330 -3.9316 -3.9316 -0.5421 -0.5421 -0.5412 -0.5412 0.0858 0.0858 0.0868 0.0868 0.9314 0.9314 0.9321 0.9321 2.0401 2.0401 2.0415 2.0415 2.7266 2.7266 2.7283 2.7283 3.7483 3.7483 3.7488 3.7488 4.1891 4.1891 4.1899 4.1899 5.5416 5.5416 5.5417 5.5417 11.8374 11.8374 11.8387 11.8387 12.5360 12.5360 12.5393 12.5393 13.1731 13.1731 k =-0.0833 0.0515 0.5383 ( 4234 PWs) bands (ev): -13.5446 -13.5446 -13.5444 -13.5444 -9.9688 -9.9688 -9.9685 -9.9685 -8.6785 -8.6785 -8.6776 -8.6776 -3.9141 -3.9141 -3.9124 -3.9124 -0.5656 -0.5656 -0.5647 -0.5647 0.1043 0.1043 0.1054 0.1054 0.9436 0.9436 0.9444 0.9444 2.0094 2.0094 2.0109 2.0109 2.7498 2.7498 2.7518 2.7518 3.7393 3.7393 3.7398 3.7398 4.1768 4.1768 4.1777 4.1777 5.5374 5.5374 5.5374 5.5374 11.8372 11.8372 11.8386 11.8386 12.5567 12.5567 12.5606 12.5606 13.1793 13.1793 k =-0.0972 0.0601 0.5383 ( 4240 PWs) bands (ev): -13.5416 -13.5416 -13.5414 -13.5414 -9.9796 -9.9796 -9.9793 -9.9793 -8.6779 -8.6779 -8.6769 -8.6769 -3.8918 -3.8918 -3.8899 -3.8899 -0.5922 -0.5922 -0.5912 -0.5912 0.1251 0.1251 0.1263 0.1263 0.9577 0.9577 0.9587 0.9587 1.9756 1.9756 1.9773 1.9773 2.7746 2.7746 2.7767 2.7767 3.7286 3.7286 3.7293 3.7293 4.1630 4.1630 4.1641 4.1641 5.5320 5.5320 5.5321 5.5321 11.8377 11.8377 11.8392 11.8392 12.5801 12.5801 12.5845 12.5845 13.1866 13.1866 k =-0.1111 0.0687 0.5383 ( 4236 PWs) bands (ev): -13.5382 -13.5382 -13.5380 -13.5380 -9.9919 -9.9919 -9.9915 -9.9915 -8.6773 -8.6773 -8.6762 -8.6762 -3.8663 -3.8663 -3.8641 -3.8641 -0.6215 -0.6215 -0.6204 -0.6204 0.1478 0.1478 0.1491 0.1491 0.9738 0.9738 0.9749 0.9749 1.9395 1.9395 1.9412 1.9412 2.8001 2.8001 2.8024 2.8024 3.7164 3.7164 3.7171 3.7171 4.1481 4.1481 4.1494 4.1494 5.5255 5.5255 5.5255 5.5255 11.8391 11.8391 11.8408 11.8408 12.6057 12.6057 12.6108 12.6108 13.1949 13.1949 k =-0.1250 0.0773 0.5383 ( 4248 PWs) bands (ev): -13.5344 -13.5344 -13.5342 -13.5342 -10.0054 -10.0054 -10.0050 -10.0050 -8.6766 -8.6766 -8.6755 -8.6755 -3.8376 -3.8376 -3.8352 -3.8352 -0.6533 -0.6533 -0.6521 -0.6521 0.1722 0.1722 0.1736 0.1736 0.9917 0.9917 0.9929 0.9929 1.9015 1.9015 1.9033 1.9033 2.8260 2.8260 2.8285 2.8285 3.7026 3.7026 3.7034 3.7034 4.1325 4.1325 4.1340 4.1340 5.5176 5.5176 5.5177 5.5177 11.8416 11.8416 11.8434 11.8434 12.6332 12.6332 12.6388 12.6388 13.2043 13.2043 k =-0.1389 0.0859 0.5383 ( 4244 PWs) bands (ev): -13.5302 -13.5302 -13.5300 -13.5300 -10.0200 -10.0200 -10.0196 -10.0196 -8.6760 -8.6760 -8.6748 -8.6748 -3.8058 -3.8058 -3.8031 -3.8031 -0.6874 -0.6874 -0.6860 -0.6860 0.1980 0.1980 0.1995 0.1995 1.0114 1.0114 1.0126 1.0126 1.8620 1.8620 1.8639 1.8639 2.8516 2.8516 2.8542 2.8542 3.6873 3.6873 3.6882 3.6882 4.1166 4.1166 4.1182 4.1182 5.5084 5.5084 5.5086 5.5086 11.8453 11.8453 11.8472 11.8472 12.6620 12.6620 12.6681 12.6681 13.2148 13.2148 k =-0.1528 0.0945 0.5383 ( 4254 PWs) bands (ev): -13.5257 -13.5257 -13.5255 -13.5255 -10.0357 -10.0357 -10.0353 -10.0353 -8.6754 -8.6754 -8.6741 -8.6741 -3.7710 -3.7710 -3.7681 -3.7681 -0.7234 -0.7234 -0.7219 -0.7219 0.2251 0.2251 0.2266 0.2266 1.0326 1.0326 1.0340 1.0340 1.8214 1.8214 1.8234 1.8234 2.8764 2.8764 2.8791 2.8791 3.6706 3.6706 3.6716 3.6716 4.1007 4.1007 4.1024 4.1024 5.4978 5.4978 5.4980 5.4980 11.8503 11.8503 11.8522 11.8522 12.6917 12.6917 12.6983 12.6983 13.2265 13.2265 k =-0.1667 0.1030 0.5383 ( 4262 PWs) bands (ev): -13.5209 -13.5209 -13.5207 -13.5207 -10.0522 -10.0522 -10.0518 -10.0518 -8.6748 -8.6748 -8.6735 -8.6735 -3.7333 -3.7333 -3.7303 -3.7303 -0.7613 -0.7613 -0.7598 -0.7598 0.2531 0.2531 0.2546 0.2546 1.0553 1.0553 1.0568 1.0568 1.7801 1.7801 1.7822 1.7822 2.8999 2.8999 2.9028 2.9028 3.6527 3.6527 3.6537 3.6537 4.0851 4.0851 4.0870 4.0870 5.4857 5.4857 5.4860 5.4860 11.8566 11.8566 11.8585 11.8585 12.7218 12.7218 12.7290 12.7290 13.2397 13.2397 k =-0.1806 0.1116 0.5383 ( 4270 PWs) bands (ev): -13.5159 -13.5159 -13.5156 -13.5156 -10.0695 -10.0695 -10.0690 -10.0690 -8.6743 -8.6743 -8.6729 -8.6729 -3.6929 -3.6929 -3.6896 -3.6896 -0.8010 -0.8010 -0.7994 -0.7994 0.2820 0.2820 0.2835 0.2835 1.0794 1.0794 1.0810 1.0810 1.7385 1.7385 1.7407 1.7407 2.9217 2.9217 2.9247 2.9247 3.6336 3.6336 3.6347 3.6347 4.0704 4.0704 4.0723 4.0723 5.4722 5.4722 5.4726 5.4726 11.8641 11.8641 11.8662 11.8662 12.7519 12.7519 12.7596 12.7596 13.2544 13.2544 k =-0.1944 0.1202 0.5383 ( 4270 PWs) bands (ev): -13.5105 -13.5105 -13.5102 -13.5102 -10.0873 -10.0873 -10.0869 -10.0869 -8.6739 -8.6739 -8.6725 -8.6725 -3.6498 -3.6498 -3.6463 -3.6463 -0.8424 -0.8424 -0.8406 -0.8406 0.3115 0.3115 0.3130 0.3130 1.1046 1.1046 1.1064 1.1064 1.6969 1.6969 1.6992 1.6992 2.9413 2.9413 2.9445 2.9445 3.6136 3.6136 3.6148 3.6148 4.0567 4.0567 4.0587 4.0587 5.4572 5.4572 5.4578 5.4578 11.8729 11.8729 11.8750 11.8750 12.7814 12.7814 12.7896 12.7896 13.2710 13.2710 k =-0.2083 0.1288 0.5383 ( 4270 PWs) bands (ev): -13.5050 -13.5050 -13.5047 -13.5047 -10.1056 -10.1056 -10.1052 -10.1052 -8.6736 -8.6736 -8.6721 -8.6721 -3.6041 -3.6041 -3.6005 -3.6005 -0.8852 -0.8852 -0.8834 -0.8834 0.3414 0.3414 0.3430 0.3430 1.1306 1.1306 1.1326 1.1326 1.6560 1.6560 1.6584 1.6584 2.9582 2.9582 2.9615 2.9615 3.5930 3.5930 3.5943 3.5943 4.0444 4.0444 4.0465 4.0465 5.4410 5.4410 5.4416 5.4416 11.8828 11.8828 11.8850 11.8850 12.8099 12.8099 12.8186 12.8186 13.2898 13.2898 k =-0.2222 0.1374 0.5383 ( 4264 PWs) bands (ev): -13.4993 -13.4993 -13.4990 -13.4990 -10.1243 -10.1243 -10.1238 -10.1238 -8.6733 -8.6733 -8.6719 -8.6719 -3.5561 -3.5561 -3.5524 -3.5524 -0.9296 -0.9296 -0.9277 -0.9277 0.3715 0.3715 0.3731 0.3731 1.1571 1.1571 1.1592 1.1592 1.6163 1.6163 1.6188 1.6188 2.9718 2.9718 2.9752 2.9752 3.5720 3.5720 3.5735 3.5735 4.0338 4.0338 4.0359 4.0359 5.4235 5.4235 5.4242 5.4242 11.8938 11.8938 11.8960 11.8960 12.8369 12.8369 12.8460 12.8460 13.3111 13.3111 k =-0.2361 0.1460 0.5383 ( 4260 PWs) bands (ev): -13.4935 -13.4935 -13.4931 -13.4931 -10.1430 -10.1430 -10.1426 -10.1426 -8.6732 -8.6732 -8.6717 -8.6717 -3.5059 -3.5059 -3.5020 -3.5020 -0.9754 -0.9754 -0.9733 -0.9733 0.4017 0.4017 0.4033 0.4033 1.1832 1.1832 1.1855 1.1855 1.5788 1.5788 1.5814 1.5814 2.9816 2.9816 2.9851 2.9851 3.5510 3.5510 3.5527 3.5527 4.0251 4.0251 4.0272 4.0272 5.4048 5.4048 5.4057 5.4057 11.9056 11.9056 11.9078 11.9078 12.8620 12.8620 12.8714 12.8714 13.3351 13.3351 k =-0.2500 0.1546 0.5383 ( 4252 PWs) bands (ev): -13.4875 -13.4875 -13.4872 -13.4872 -10.1618 -10.1618 -10.1614 -10.1614 -8.6731 -8.6731 -8.6717 -8.6717 -3.4535 -3.4535 -3.4496 -3.4496 -1.0225 -1.0225 -1.0204 -1.0204 0.4318 0.4318 0.4334 0.4334 1.2076 1.2076 1.2102 1.2102 1.5450 1.5450 1.5478 1.5478 2.9871 2.9871 2.9907 2.9907 3.5304 3.5304 3.5323 3.5323 4.0185 4.0185 4.0206 4.0206 5.3852 5.3852 5.3861 5.3861 11.9180 11.9180 11.9203 11.9203 12.8848 12.8848 12.8945 12.8945 13.3622 13.3622 k =-0.2639 0.1632 0.5383 ( 4252 PWs) bands (ev): -13.4816 -13.4816 -13.4813 -13.4813 -10.1805 -10.1805 -10.1801 -10.1801 -8.6731 -8.6731 -8.6718 -8.6718 -3.3993 -3.3993 -3.3952 -3.3952 -1.0709 -1.0709 -1.0687 -1.0687 0.4616 0.4616 0.4632 0.4632 1.2281 1.2281 1.2310 1.2310 1.5174 1.5174 1.5204 1.5204 2.9879 2.9879 2.9914 2.9914 3.5106 3.5106 3.5127 3.5127 4.0141 4.0141 4.0162 4.0162 5.3647 5.3647 5.3657 5.3657 11.9311 11.9311 11.9334 11.9334 12.9052 12.9052 12.9150 12.9150 13.3923 13.3923 k =-0.2778 0.1717 0.5383 ( 4248 PWs) bands (ev): -13.4756 -13.4756 -13.4753 -13.4753 -10.1990 -10.1990 -10.1985 -10.1985 -8.6733 -8.6733 -8.6719 -8.6719 -3.3433 -3.3433 -3.3392 -3.3392 -1.1206 -1.1206 -1.1183 -1.1183 0.4908 0.4908 0.4925 0.4925 1.2413 1.2413 1.2445 1.2445 1.4996 1.4996 1.5027 1.5027 2.9834 2.9834 2.9870 2.9870 3.4919 3.4919 3.4941 3.4941 4.0121 4.0121 4.0141 4.0141 5.3436 5.3436 5.3447 5.3447 11.9445 11.9445 11.9469 11.9469 12.9232 12.9232 12.9331 12.9331 13.4254 13.4254 k =-0.2917 0.1803 0.5383 ( 4248 PWs) bands (ev): -13.4697 -13.4697 -13.4694 -13.4694 -10.2170 -10.2170 -10.2166 -10.2166 -8.6735 -8.6735 -8.6721 -8.6721 -3.2858 -3.2858 -3.2816 -3.2816 -1.1713 -1.1713 -1.1690 -1.1690 0.5195 0.5195 0.5212 0.5212 1.2436 1.2436 1.2469 1.2469 1.4956 1.4956 1.4985 1.4985 2.9737 2.9737 2.9772 2.9772 3.4746 3.4746 3.4770 3.4770 4.0124 4.0124 4.0143 4.0143 5.3220 5.3220 5.3232 5.3232 11.9581 11.9581 11.9605 11.9605 12.9387 12.9387 12.9486 12.9486 13.4611 13.4611 k =-0.3056 0.1889 0.5383 ( 4244 PWs) bands (ev): -13.4639 -13.4639 -13.4636 -13.4636 -10.2346 -10.2346 -10.2342 -10.2342 -8.6737 -8.6737 -8.6725 -8.6725 -3.2269 -3.2269 -3.2227 -3.2227 -1.2232 -1.2232 -1.2207 -1.2207 0.5474 0.5474 0.5491 0.5491 1.2338 1.2338 1.2369 1.2369 1.5066 1.5066 1.5092 1.5092 2.9585 2.9585 2.9620 2.9620 3.4589 3.4589 3.4613 3.4613 4.0149 4.0149 4.0167 4.0167 5.3002 5.3002 5.3014 5.3014 11.9717 11.9717 11.9741 11.9741 12.9522 12.9522 12.9620 12.9620 13.4990 13.4990 k =-0.3194 0.1975 0.5383 ( 4240 PWs) bands (ev): -13.4582 -13.4582 -13.4579 -13.4579 -10.2515 -10.2515 -10.2511 -10.2511 -8.6740 -8.6740 -8.6728 -8.6728 -3.1669 -3.1669 -3.1627 -3.1627 -1.2760 -1.2760 -1.2735 -1.2735 0.5744 0.5744 0.5762 0.5762 1.2144 1.2144 1.2173 1.2173 1.5301 1.5301 1.5322 1.5322 2.9382 2.9382 2.9415 2.9415 3.4448 3.4448 3.4472 3.4472 4.0194 4.0194 4.0212 4.0212 5.2783 5.2783 5.2795 5.2795 11.9851 11.9851 11.9876 11.9876 12.9637 12.9637 12.9733 12.9733 13.5385 13.5385 k =-0.3333 0.2061 0.5383 ( 4242 PWs) bands (ev): -13.4528 -13.4528 -13.4525 -13.4525 -10.2677 -10.2677 -10.2673 -10.2673 -8.6744 -8.6744 -8.6733 -8.6733 -3.1061 -3.1061 -3.1019 -3.1019 -1.3297 -1.3297 -1.3270 -1.3270 0.6004 0.6004 0.6023 0.6023 1.1890 1.1890 1.1918 1.1918 1.5623 1.5623 1.5641 1.5641 2.9130 2.9130 2.9162 2.9162 3.4322 3.4322 3.4346 3.4346 4.0258 4.0258 4.0275 4.0275 5.2566 5.2566 5.2579 5.2579 11.9983 11.9983 12.0007 12.0007 12.9737 12.9737 12.9830 12.9830 13.5789 13.5789 k =-0.3472 0.2147 0.5383 ( 4246 PWs) bands (ev): -13.4475 -13.4475 -13.4472 -13.4472 -10.2830 -10.2830 -10.2826 -10.2826 -8.6748 -8.6748 -8.6737 -8.6737 -3.0447 -3.0447 -3.0405 -3.0405 -1.3840 -1.3840 -1.3813 -1.3813 0.6255 0.6255 0.6274 0.6274 1.1607 1.1607 1.1634 1.1634 1.6001 1.6001 1.6018 1.6018 2.8834 2.8834 2.8864 2.8864 3.4211 3.4211 3.4234 3.4234 4.0338 4.0338 4.0353 4.0353 5.2353 5.2353 5.2366 5.2366 12.0110 12.0110 12.0134 12.0134 12.9824 12.9824 12.9913 12.9913 13.6194 13.6194 k =-0.3611 0.2233 0.5383 ( 4250 PWs) bands (ev): -13.4426 -13.4426 -13.4423 -13.4423 -10.2974 -10.2974 -10.2970 -10.2970 -8.6752 -8.6752 -8.6742 -8.6742 -2.9831 -2.9831 -2.9789 -2.9789 -1.4387 -1.4387 -1.4359 -1.4359 0.6495 0.6495 0.6514 0.6514 1.1313 1.1313 1.1339 1.1339 1.6417 1.6417 1.6432 1.6432 2.8501 2.8501 2.8529 2.8529 3.4112 3.4112 3.4134 3.4134 4.0429 4.0429 4.0443 4.0443 5.2146 5.2146 5.2159 5.2159 12.0231 12.0231 12.0254 12.0254 12.9900 12.9900 12.9985 12.9985 13.6591 13.6591 k =-0.3750 0.2319 0.5383 ( 4242 PWs) bands (ev): -13.4379 -13.4379 -13.4377 -13.4377 -10.3107 -10.3107 -10.3103 -10.3103 -8.6756 -8.6756 -8.6747 -8.6747 -2.9216 -2.9216 -2.9175 -2.9175 -1.4935 -1.4935 -1.4908 -1.4908 0.6724 0.6724 0.6744 0.6744 1.1018 1.1018 1.1044 1.1044 1.6858 1.6858 1.6872 1.6872 2.8138 2.8138 2.8164 2.8164 3.4025 3.4025 3.4046 3.4046 4.0528 4.0528 4.0541 4.0541 5.1949 5.1949 5.1962 5.1962 12.0345 12.0345 12.0367 12.0367 12.9968 12.9968 13.0048 13.0048 13.6969 13.6969 k =-0.3889 0.2404 0.5383 ( 4234 PWs) bands (ev): -13.4336 -13.4336 -13.4334 -13.4334 -10.3228 -10.3228 -10.3225 -10.3225 -8.6760 -8.6760 -8.6752 -8.6752 -2.8609 -2.8609 -2.8569 -2.8569 -1.5481 -1.5481 -1.5453 -1.5453 0.6943 0.6943 0.6963 0.6963 1.0731 1.0731 1.0756 1.0756 1.7312 1.7312 1.7326 1.7326 2.7751 2.7751 2.7775 2.7775 3.3949 3.3949 3.3968 3.3968 4.0631 4.0631 4.0644 4.0644 5.1764 5.1764 5.1776 5.1776 12.0450 12.0450 12.0471 12.0471 13.0030 13.0030 13.0103 13.0103 13.7319 13.7319 k =-0.4028 0.2490 0.5383 ( 4234 PWs) bands (ev): -13.4298 -13.4298 -13.4296 -13.4296 -10.3337 -10.3337 -10.3335 -10.3335 -8.6764 -8.6764 -8.6757 -8.6757 -2.8014 -2.8014 -2.7976 -2.7976 -1.6018 -1.6018 -1.5991 -1.5991 0.7151 0.7151 0.7172 0.7172 1.0454 1.0454 1.0480 1.0480 1.7773 1.7773 1.7786 1.7786 2.7349 2.7349 2.7372 2.7372 3.3882 3.3882 3.3899 3.3899 4.0734 4.0734 4.0746 4.0746 5.1592 5.1592 5.1603 5.1603 12.0546 12.0546 12.0565 12.0565 13.0085 13.0085 13.0152 13.0152 13.7628 13.7628 k =-0.4167 0.2576 0.5383 ( 4236 PWs) bands (ev): -13.4263 -13.4263 -13.4261 -13.4261 -10.3433 -10.3433 -10.3431 -10.3431 -8.6767 -8.6767 -8.6761 -8.6761 -2.7440 -2.7440 -2.7404 -2.7404 -1.6540 -1.6540 -1.6513 -1.6513 0.7349 0.7349 0.7371 0.7371 1.0192 1.0192 1.0218 1.0218 1.8229 1.8229 1.8242 1.8242 2.6942 2.6942 2.6963 2.6963 3.3825 3.3825 3.3839 3.3839 4.0834 4.0834 4.0844 4.0844 5.1437 5.1437 5.1447 5.1447 12.0631 12.0631 12.0648 12.0648 13.0135 13.0135 13.0194 13.0194 13.7887 13.7887 k =-0.4306 0.2662 0.5383 ( 4224 PWs) bands (ev): -13.4233 -13.4233 -13.4232 -13.4232 -10.3516 -10.3516 -10.3514 -10.3514 -8.6770 -8.6770 -8.6765 -8.6765 -2.6899 -2.6899 -2.6865 -2.6865 -1.7035 -1.7035 -1.7010 -1.7010 0.7537 0.7537 0.7559 0.7559 0.9948 0.9948 0.9972 0.9972 1.8670 1.8670 1.8683 1.8683 2.6542 2.6542 2.6561 2.6561 3.3776 3.3776 3.3788 3.3788 4.0926 4.0926 4.0934 4.0934 5.1301 5.1301 5.1310 5.1310 12.0705 12.0705 12.0720 12.0720 13.0180 13.0180 13.0231 13.0231 13.8088 13.8088 k =-0.4444 0.2748 0.5383 ( 4220 PWs) bands (ev): -13.4209 -13.4209 -13.4208 -13.4208 -10.3584 -10.3584 -10.3582 -10.3582 -8.6773 -8.6773 -8.6769 -8.6769 -2.6404 -2.6404 -2.6374 -2.6374 -1.7490 -1.7490 -1.7467 -1.7467 0.7714 0.7714 0.7734 0.7734 0.9723 0.9723 0.9747 0.9747 1.9083 1.9083 1.9094 1.9094 2.6164 2.6164 2.6180 2.6180 3.3736 3.3736 3.3746 3.3746 4.1006 4.1006 4.1013 4.1013 5.1187 5.1187 5.1194 5.1194 12.0767 12.0767 12.0779 12.0779 13.0219 13.0219 13.0261 13.0261 13.8233 13.8233 k =-0.4583 0.2834 0.5383 ( 4230 PWs) bands (ev): -13.4189 -13.4189 -13.4188 -13.4188 -10.3637 -10.3637 -10.3636 -10.3636 -8.6775 -8.6775 -8.6772 -8.6772 -2.5975 -2.5975 -2.5950 -2.5950 -1.7885 -1.7885 -1.7866 -1.7866 0.7875 0.7875 0.7895 0.7895 0.9524 0.9524 0.9545 0.9545 1.9447 1.9447 1.9457 1.9457 2.5826 2.5826 2.5839 2.5839 3.3705 3.3705 3.3713 3.3713 4.1072 4.1072 4.1077 4.1077 5.1095 5.1095 5.1101 5.1101 12.0816 12.0816 12.0825 12.0825 13.0252 13.0252 13.0284 13.0284 13.8327 13.8327 k =-0.4722 0.2920 0.5383 ( 4222 PWs) bands (ev): -13.4175 -13.4175 -13.4175 -13.4175 -10.3676 -10.3676 -10.3675 -10.3675 -8.6776 -8.6776 -8.6774 -8.6774 -2.5636 -2.5636 -2.5619 -2.5619 -1.8196 -1.8196 -1.8182 -1.8182 0.8015 0.8015 0.8031 0.8031 0.9359 0.9359 0.9376 0.9376 1.9739 1.9739 1.9746 1.9746 2.5554 2.5554 2.5563 2.5563 3.3684 3.3684 3.3689 3.3689 4.1122 4.1122 4.1125 4.1125 5.1029 5.1029 5.1033 5.1033 12.0851 12.0851 12.0858 12.0858 13.0278 13.0278 13.0299 13.0299 13.8384 13.8384 k =-0.4861 0.3006 0.5383 ( 4226 PWs) bands (ev): -13.4167 -13.4167 -13.4166 -13.4166 -10.3699 -10.3699 -10.3699 -10.3699 -8.6777 -8.6777 -8.6776 -8.6776 -2.5416 -2.5416 -2.5407 -2.5407 -1.8397 -1.8397 -1.8389 -1.8389 0.8118 0.8118 0.8127 0.8127 0.9246 0.9246 0.9256 0.9256 1.9932 1.9932 1.9936 1.9936 2.5375 2.5375 2.5380 2.5380 3.3671 3.3671 3.3673 3.3673 4.1153 4.1153 4.1155 4.1155 5.0989 5.0989 5.0991 5.0991 12.0874 12.0874 12.0877 12.0877 13.0295 13.0295 13.0306 13.0306 13.8415 13.8415 k =-0.5000 0.3091 0.5383 ( 4228 PWs) bands (ev): -13.4164 -13.4164 -13.4164 -13.4164 -10.3706 -10.3706 -10.3706 -10.3706 -8.6776 -8.6776 -8.6776 -8.6776 -2.5336 -2.5336 -2.5336 -2.5336 -1.8464 -1.8464 -1.8464 -1.8464 0.8160 0.8160 0.8160 0.8160 0.9207 0.9207 0.9207 0.9207 2.0001 2.0001 2.0001 2.0001 2.5314 2.5314 2.5314 2.5314 3.3668 3.3668 3.3668 3.3668 4.1164 4.1164 4.1164 4.1164 5.0976 5.0976 5.0976 5.0976 12.0882 12.0882 12.0882 12.0882 13.0305 13.0305 13.0305 13.0305 13.8429 13.8429 Writing output data file Si2N2O.save init_run : 4.53s CPU 13.67s WALL ( 1 calls) electrons : 1195.23s CPU 1205.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.46s CPU 1.88s WALL ( 1 calls) Called by electrons: c_bands : 1195.19s CPU 1204.98s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.94s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.62s WALL ( 1 calls) newd : 0.51s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.12s WALL ( 374 calls) cegterg : 1144.59s CPU 1151.82s WALL ( 1181 calls) Called by sum_band: Called by *egterg: h_psi : 405.69s CPU 418.75s WALL ( 22541 calls) s_psi : 65.36s CPU 65.83s WALL ( 22541 calls) g_psi : 1.00s CPU 1.01s WALL ( 20986 calls) cdiaghg : 520.65s CPU 515.84s WALL ( 21360 calls) cegterg:over : 85.08s CPU 81.48s WALL ( 20986 calls) cegterg:upda : 19.82s CPU 25.46s WALL ( 20986 calls) cegterg:last : 15.52s CPU 16.49s WALL ( 2683 calls) Called by h_psi: h_psi:vloc : 272.39s CPU 283.03s WALL ( 22541 calls) h_psi:vnl : 132.85s CPU 134.44s WALL ( 22541 calls) add_vuspsi : 48.77s CPU 55.34s WALL ( 22541 calls) General routines calbec : 84.00s CPU 78.88s WALL ( 22541 calls) fft : 0.31s CPU 1.01s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 255.07s CPU 262.12s WALL ( 1774124 calls) interpolate : 0.06s CPU 0.12s WALL ( 4 calls) davcio : 0.03s CPU 2.09s WALL ( 748 calls) Parallel routines fft_scatter : 161.37s CPU 163.76s WALL ( 1774147 calls) PWSCF : 21m 0.41s CPU 22m38.79s WALL This run was terminated on: 2:25:25 22Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=