Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:18:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Si2N2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 27 7 1632 709 111 Max 47 28 8 1639 733 116 Sum 2245 1307 379 78529 34791 5463 bravais-lattice index = 14 lattice parameter (alat) = 9.8574 a.u. unit-cell volume = 797.0832 (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)= 9.857446 celldm(2)= 1.000000 celldm(3)= 0.929771 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.446020 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.446020 0.895023 0.000000 ) a(3) = ( 0.000000 0.000000 0.929771 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.498333 -0.000000 ) b(2) = ( 0.000000 1.117290 -0.000000 ) b(3) = ( 0.000000 0.000000 1.075533 ) 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 ) ( 0.4648857 ) 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) = ( 0.0086444 0.0139661 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172888 0.0279322 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259333 0.0418984 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345777 0.0558645 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0432221 0.0698306 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518665 0.0837967 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0605109 0.0977628 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691554 0.1117290 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777998 0.1256951 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0864442 0.1396612 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0950886 0.1536273 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1037330 0.1675934 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1123774 0.1815596 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1210219 0.1955257 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1296663 0.2094918 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1383107 0.2234579 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1469551 0.2374240 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1555995 0.2513902 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1642439 0.2653563 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1728884 0.2793224 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1815328 0.2932885 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1901772 0.3072546 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1988216 0.3212208 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2074661 0.3351869 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2161105 0.3491530 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2247549 0.3631191 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2333993 0.3770852 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2420437 0.3910513 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2506881 0.4050175 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2593326 0.4189836 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2679770 0.4329497 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2766214 0.4469158 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2852658 0.4608819 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2939102 0.4748481 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3025546 0.4888142 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3111991 0.5027803 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3198435 0.5167464 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3284879 0.5307126 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3371323 0.5446787 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3457767 0.5586448 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3457767 0.5586448 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3293112 0.5586448 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3128456 0.5586448 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2963801 0.5586448 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2799145 0.5586448 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2634490 0.5586448 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2469834 0.5586448 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2305178 0.5586448 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2140523 0.5586448 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1975867 0.5586448 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1811212 0.5586448 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1646556 0.5586448 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1481900 0.5586448 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1317245 0.5586448 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1152589 0.5586448 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987934 0.5586448 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0823278 0.5586448 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658622 0.5586448 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493967 0.5586448 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329311 0.5586448 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164656 0.5586448 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5586448 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5586448 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5586448 0.0162960), wk = 0.0026738 k( 66) = ( 0.0000000 0.5586448 0.0325919), wk = 0.0026738 k( 67) = ( 0.0000000 0.5586448 0.0488879), wk = 0.0026738 k( 68) = ( 0.0000000 0.5586448 0.0651838), wk = 0.0026738 k( 69) = ( 0.0000000 0.5586448 0.0814798), wk = 0.0026738 k( 70) = ( 0.0000000 0.5586448 0.0977757), wk = 0.0026738 k( 71) = ( 0.0000000 0.5586448 0.1140717), wk = 0.0026738 k( 72) = ( 0.0000000 0.5586448 0.1303677), wk = 0.0026738 k( 73) = ( 0.0000000 0.5586448 0.1466636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5586448 0.1629596), wk = 0.0026738 k( 75) = ( 0.0000000 0.5586448 0.1792555), wk = 0.0026738 k( 76) = ( 0.0000000 0.5586448 0.1955515), wk = 0.0026738 k( 77) = ( 0.0000000 0.5586448 0.2118475), wk = 0.0026738 k( 78) = ( 0.0000000 0.5586448 0.2281434), wk = 0.0026738 k( 79) = ( 0.0000000 0.5586448 0.2444394), wk = 0.0026738 k( 80) = ( 0.0000000 0.5586448 0.2607353), wk = 0.0026738 k( 81) = ( 0.0000000 0.5586448 0.2770313), wk = 0.0026738 k( 82) = ( 0.0000000 0.5586448 0.2933272), wk = 0.0026738 k( 83) = ( 0.0000000 0.5586448 0.3096232), wk = 0.0026738 k( 84) = ( 0.0000000 0.5586448 0.3259192), wk = 0.0026738 k( 85) = ( 0.0000000 0.5586448 0.3422151), wk = 0.0026738 k( 86) = ( 0.0000000 0.5586448 0.3585111), wk = 0.0026738 k( 87) = ( 0.0000000 0.5586448 0.3748070), wk = 0.0026738 k( 88) = ( 0.0000000 0.5586448 0.3911030), wk = 0.0026738 k( 89) = ( 0.0000000 0.5586448 0.4073990), wk = 0.0026738 k( 90) = ( 0.0000000 0.5586448 0.4236949), wk = 0.0026738 k( 91) = ( 0.0000000 0.5586448 0.4399909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5586448 0.4562868), wk = 0.0026738 k( 93) = ( 0.0000000 0.5586448 0.4725828), wk = 0.0026738 k( 94) = ( 0.0000000 0.5586448 0.4888787), wk = 0.0026738 k( 95) = ( 0.0000000 0.5586448 0.5051747), wk = 0.0026738 k( 96) = ( 0.0000000 0.5586448 0.5214707), wk = 0.0026738 k( 97) = ( 0.0000000 0.5586448 0.5377666), wk = 0.0026738 k( 98) = ( 0.0000000 0.5586448 0.5377666), wk = 0.0026738 k( 99) = ( 0.0164656 0.5586448 0.5377666), wk = 0.0026738 k( 100) = ( 0.0329311 0.5586448 0.5377666), wk = 0.0026738 k( 101) = ( 0.0493967 0.5586448 0.5377666), wk = 0.0026738 k( 102) = ( 0.0658622 0.5586448 0.5377666), wk = 0.0026738 k( 103) = ( 0.0823278 0.5586448 0.5377666), wk = 0.0026738 k( 104) = ( 0.0987934 0.5586448 0.5377666), wk = 0.0026738 k( 105) = ( 0.1152589 0.5586448 0.5377666), wk = 0.0026738 k( 106) = ( 0.1317245 0.5586448 0.5377666), wk = 0.0026738 k( 107) = ( 0.1481900 0.5586448 0.5377666), wk = 0.0026738 k( 108) = ( 0.1646556 0.5586448 0.5377666), wk = 0.0026738 k( 109) = ( 0.1811212 0.5586448 0.5377666), wk = 0.0026738 k( 110) = ( 0.1975867 0.5586448 0.5377666), wk = 0.0026738 k( 111) = ( 0.2140523 0.5586448 0.5377666), wk = 0.0026738 k( 112) = ( 0.2305178 0.5586448 0.5377666), wk = 0.0026738 k( 113) = ( 0.2469834 0.5586448 0.5377666), wk = 0.0026738 k( 114) = ( 0.2634490 0.5586448 0.5377666), wk = 0.0026738 k( 115) = ( 0.2799145 0.5586448 0.5377666), wk = 0.0026738 k( 116) = ( 0.2963801 0.5586448 0.5377666), wk = 0.0026738 k( 117) = ( 0.3128456 0.5586448 0.5377666), wk = 0.0026738 k( 118) = ( 0.3293112 0.5586448 0.5377666), wk = 0.0026738 k( 119) = ( 0.3457767 0.5586448 0.5377666), wk = 0.0026738 k( 120) = ( 0.3457767 0.5586448 0.5377666), wk = 0.0026738 k( 121) = ( 0.3371323 0.5446787 0.5377666), wk = 0.0026738 k( 122) = ( 0.3284879 0.5307126 0.5377666), wk = 0.0026738 k( 123) = ( 0.3198435 0.5167464 0.5377666), wk = 0.0026738 k( 124) = ( 0.3111991 0.5027803 0.5377666), wk = 0.0026738 k( 125) = ( 0.3025546 0.4888142 0.5377666), wk = 0.0026738 k( 126) = ( 0.2939102 0.4748481 0.5377666), wk = 0.0026738 k( 127) = ( 0.2852658 0.4608819 0.5377666), wk = 0.0026738 k( 128) = ( 0.2766214 0.4469158 0.5377666), wk = 0.0026738 k( 129) = ( 0.2679770 0.4329497 0.5377666), wk = 0.0026738 k( 130) = ( 0.2593326 0.4189836 0.5377666), wk = 0.0026738 k( 131) = ( 0.2506881 0.4050175 0.5377666), wk = 0.0026738 k( 132) = ( 0.2420437 0.3910513 0.5377666), wk = 0.0026738 k( 133) = ( 0.2333993 0.3770852 0.5377666), wk = 0.0026738 k( 134) = ( 0.2247549 0.3631191 0.5377666), wk = 0.0026738 k( 135) = ( 0.2161105 0.3491530 0.5377666), wk = 0.0026738 k( 136) = ( 0.2074661 0.3351869 0.5377666), wk = 0.0026738 k( 137) = ( 0.1988216 0.3212208 0.5377666), wk = 0.0026738 k( 138) = ( 0.1901772 0.3072546 0.5377666), wk = 0.0026738 k( 139) = ( 0.1815328 0.2932885 0.5377666), wk = 0.0026738 k( 140) = ( 0.1728884 0.2793224 0.5377666), wk = 0.0026738 k( 141) = ( 0.1642439 0.2653563 0.5377666), wk = 0.0026738 k( 142) = ( 0.1555995 0.2513902 0.5377666), wk = 0.0026738 k( 143) = ( 0.1469551 0.2374240 0.5377666), wk = 0.0026738 k( 144) = ( 0.1383107 0.2234579 0.5377666), wk = 0.0026738 k( 145) = ( 0.1296663 0.2094918 0.5377666), wk = 0.0026738 k( 146) = ( 0.1210219 0.1955257 0.5377666), wk = 0.0026738 k( 147) = ( 0.1123774 0.1815596 0.5377666), wk = 0.0026738 k( 148) = ( 0.1037330 0.1675934 0.5377666), wk = 0.0026738 k( 149) = ( 0.0950886 0.1536273 0.5377666), wk = 0.0026738 k( 150) = ( 0.0864442 0.1396612 0.5377666), wk = 0.0026738 k( 151) = ( 0.0777998 0.1256951 0.5377666), wk = 0.0026738 k( 152) = ( 0.0691554 0.1117290 0.5377666), wk = 0.0026738 k( 153) = ( 0.0605109 0.0977628 0.5377666), wk = 0.0026738 k( 154) = ( 0.0518665 0.0837967 0.5377666), wk = 0.0026738 k( 155) = ( 0.0432221 0.0698306 0.5377666), wk = 0.0026738 k( 156) = ( 0.0345777 0.0558645 0.5377666), wk = 0.0026738 k( 157) = ( 0.0259333 0.0418984 0.5377666), wk = 0.0026738 k( 158) = ( 0.0172888 0.0279322 0.5377666), wk = 0.0026738 k( 159) = ( 0.0086444 0.0139661 0.5377666), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5377666), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5377666), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5214707), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5051747), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4888787), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4725828), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4562868), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4399909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4236949), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4073990), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3911030), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3748070), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3585111), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3422151), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3259192), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3096232), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2933272), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2770313), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2607353), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2444394), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2281434), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2118475), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1955515), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1792555), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1629596), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1466636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1303677), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1140717), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0977757), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0814798), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0651838), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0488879), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0325919), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0162960), 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 0.0085966 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171932 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257899 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343865 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0429831 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0515797 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0601763 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0687729 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0773695 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0859662 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0945628 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1031594 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1117560 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1203526 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1289492 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1375459 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1461425 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1547391 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1633357 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1719323 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1805289 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1891256 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1977222 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2063188 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2149154 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2235120 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2321086 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2407053 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2493019 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2578985 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2664951 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2750917 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2836883 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2922849 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3008816 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3094782 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3094782 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914320 0.3233208 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828641 0.3371634 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742961 0.3510060 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657282 0.3648485 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571602 0.3786911 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485923 0.3925337 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4400243 0.4063763 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4314563 0.4202189 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4228884 0.4340615 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4143204 0.4479041 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4057525 0.4617467 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3971845 0.4755892 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3886165 0.4894318 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3800486 0.5032744 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3714806 0.5171170 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3629127 0.5309596 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3543447 0.5448022 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3457767 0.5586448 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3457767 0.5586448 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3457767 0.5586448 0.0162960), wk = 0.0026738 k( 253) = ( -0.3457767 0.5586448 0.0325919), wk = 0.0026738 k( 254) = ( -0.3457767 0.5586448 0.0488879), wk = 0.0026738 k( 255) = ( -0.3457767 0.5586448 0.0651838), wk = 0.0026738 k( 256) = ( -0.3457767 0.5586448 0.0814798), wk = 0.0026738 k( 257) = ( -0.3457767 0.5586448 0.0977757), wk = 0.0026738 k( 258) = ( -0.3457767 0.5586448 0.1140717), wk = 0.0026738 k( 259) = ( -0.3457767 0.5586448 0.1303677), wk = 0.0026738 k( 260) = ( -0.3457767 0.5586448 0.1466636), wk = 0.0026738 k( 261) = ( -0.3457767 0.5586448 0.1629596), wk = 0.0026738 k( 262) = ( -0.3457767 0.5586448 0.1792555), wk = 0.0026738 k( 263) = ( -0.3457767 0.5586448 0.1955515), wk = 0.0026738 k( 264) = ( -0.3457767 0.5586448 0.2118475), wk = 0.0026738 k( 265) = ( -0.3457767 0.5586448 0.2281434), wk = 0.0026738 k( 266) = ( -0.3457767 0.5586448 0.2444394), wk = 0.0026738 k( 267) = ( -0.3457767 0.5586448 0.2607353), wk = 0.0026738 k( 268) = ( -0.3457767 0.5586448 0.2770313), wk = 0.0026738 k( 269) = ( -0.3457767 0.5586448 0.2933272), wk = 0.0026738 k( 270) = ( -0.3457767 0.5586448 0.3096232), wk = 0.0026738 k( 271) = ( -0.3457767 0.5586448 0.3259192), wk = 0.0026738 k( 272) = ( -0.3457767 0.5586448 0.3422151), wk = 0.0026738 k( 273) = ( -0.3457767 0.5586448 0.3585111), wk = 0.0026738 k( 274) = ( -0.3457767 0.5586448 0.3748070), wk = 0.0026738 k( 275) = ( -0.3457767 0.5586448 0.3911030), wk = 0.0026738 k( 276) = ( -0.3457767 0.5586448 0.4073990), wk = 0.0026738 k( 277) = ( -0.3457767 0.5586448 0.4236949), wk = 0.0026738 k( 278) = ( -0.3457767 0.5586448 0.4399909), wk = 0.0026738 k( 279) = ( -0.3457767 0.5586448 0.4562868), wk = 0.0026738 k( 280) = ( -0.3457767 0.5586448 0.4725828), wk = 0.0026738 k( 281) = ( -0.3457767 0.5586448 0.4888787), wk = 0.0026738 k( 282) = ( -0.3457767 0.5586448 0.5051747), wk = 0.0026738 k( 283) = ( -0.3457767 0.5586448 0.5214707), wk = 0.0026738 k( 284) = ( -0.3457767 0.5586448 0.5377666), wk = 0.0026738 k( 285) = ( -0.3457767 0.5586448 0.5377666), wk = 0.0026738 k( 286) = ( -0.3543447 0.5448022 0.5377666), wk = 0.0026738 k( 287) = ( -0.3629127 0.5309596 0.5377666), wk = 0.0026738 k( 288) = ( -0.3714806 0.5171170 0.5377666), wk = 0.0026738 k( 289) = ( -0.3800486 0.5032744 0.5377666), wk = 0.0026738 k( 290) = ( -0.3886165 0.4894318 0.5377666), wk = 0.0026738 k( 291) = ( -0.3971845 0.4755892 0.5377666), wk = 0.0026738 k( 292) = ( -0.4057525 0.4617467 0.5377666), wk = 0.0026738 k( 293) = ( -0.4143204 0.4479041 0.5377666), wk = 0.0026738 k( 294) = ( -0.4228884 0.4340615 0.5377666), wk = 0.0026738 k( 295) = ( -0.4314563 0.4202189 0.5377666), wk = 0.0026738 k( 296) = ( -0.4400243 0.4063763 0.5377666), wk = 0.0026738 k( 297) = ( -0.4485923 0.3925337 0.5377666), wk = 0.0026738 k( 298) = ( -0.4571602 0.3786911 0.5377666), wk = 0.0026738 k( 299) = ( -0.4657282 0.3648485 0.5377666), wk = 0.0026738 k( 300) = ( -0.4742961 0.3510060 0.5377666), wk = 0.0026738 k( 301) = ( -0.4828641 0.3371634 0.5377666), wk = 0.0026738 k( 302) = ( -0.4914320 0.3233208 0.5377666), wk = 0.0026738 k( 303) = ( -0.5000000 0.3094782 0.5377666), wk = 0.0026738 k( 304) = ( -0.5000000 0.3094782 0.5377666), wk = 0.0026738 k( 305) = ( -0.5000000 0.3094782 0.5214707), wk = 0.0026738 k( 306) = ( -0.5000000 0.3094782 0.5051747), wk = 0.0026738 k( 307) = ( -0.5000000 0.3094782 0.4888787), wk = 0.0026738 k( 308) = ( -0.5000000 0.3094782 0.4725828), wk = 0.0026738 k( 309) = ( -0.5000000 0.3094782 0.4562868), wk = 0.0026738 k( 310) = ( -0.5000000 0.3094782 0.4399909), wk = 0.0026738 k( 311) = ( -0.5000000 0.3094782 0.4236949), wk = 0.0026738 k( 312) = ( -0.5000000 0.3094782 0.4073990), wk = 0.0026738 k( 313) = ( -0.5000000 0.3094782 0.3911030), wk = 0.0026738 k( 314) = ( -0.5000000 0.3094782 0.3748070), wk = 0.0026738 k( 315) = ( -0.5000000 0.3094782 0.3585111), wk = 0.0026738 k( 316) = ( -0.5000000 0.3094782 0.3422151), wk = 0.0026738 k( 317) = ( -0.5000000 0.3094782 0.3259192), wk = 0.0026738 k( 318) = ( -0.5000000 0.3094782 0.3096232), wk = 0.0026738 k( 319) = ( -0.5000000 0.3094782 0.2933272), wk = 0.0026738 k( 320) = ( -0.5000000 0.3094782 0.2770313), wk = 0.0026738 k( 321) = ( -0.5000000 0.3094782 0.2607353), wk = 0.0026738 k( 322) = ( -0.5000000 0.3094782 0.2444394), wk = 0.0026738 k( 323) = ( -0.5000000 0.3094782 0.2281434), wk = 0.0026738 k( 324) = ( -0.5000000 0.3094782 0.2118475), wk = 0.0026738 k( 325) = ( -0.5000000 0.3094782 0.1955515), wk = 0.0026738 k( 326) = ( -0.5000000 0.3094782 0.1792555), wk = 0.0026738 k( 327) = ( -0.5000000 0.3094782 0.1629596), wk = 0.0026738 k( 328) = ( -0.5000000 0.3094782 0.1466636), wk = 0.0026738 k( 329) = ( -0.5000000 0.3094782 0.1303677), wk = 0.0026738 k( 330) = ( -0.5000000 0.3094782 0.1140717), wk = 0.0026738 k( 331) = ( -0.5000000 0.3094782 0.0977757), wk = 0.0026738 k( 332) = ( -0.5000000 0.3094782 0.0814798), wk = 0.0026738 k( 333) = ( -0.5000000 0.3094782 0.0651838), wk = 0.0026738 k( 334) = ( -0.5000000 0.3094782 0.0488879), wk = 0.0026738 k( 335) = ( -0.5000000 0.3094782 0.0325919), wk = 0.0026738 k( 336) = ( -0.5000000 0.3094782 0.0162960), wk = 0.0026738 k( 337) = ( -0.5000000 0.3094782 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5377666), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085966 0.5377666), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171932 0.5377666), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257899 0.5377666), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343865 0.5377666), wk = 0.0026738 k( 343) = ( -0.0694444 0.0429831 0.5377666), wk = 0.0026738 k( 344) = ( -0.0833333 0.0515797 0.5377666), wk = 0.0026738 k( 345) = ( -0.0972222 0.0601763 0.5377666), wk = 0.0026738 k( 346) = ( -0.1111111 0.0687729 0.5377666), wk = 0.0026738 k( 347) = ( -0.1250000 0.0773695 0.5377666), wk = 0.0026738 k( 348) = ( -0.1388889 0.0859662 0.5377666), wk = 0.0026738 k( 349) = ( -0.1527778 0.0945628 0.5377666), wk = 0.0026738 k( 350) = ( -0.1666667 0.1031594 0.5377666), wk = 0.0026738 k( 351) = ( -0.1805556 0.1117560 0.5377666), wk = 0.0026738 k( 352) = ( -0.1944444 0.1203526 0.5377666), wk = 0.0026738 k( 353) = ( -0.2083333 0.1289492 0.5377666), wk = 0.0026738 k( 354) = ( -0.2222222 0.1375459 0.5377666), wk = 0.0026738 k( 355) = ( -0.2361111 0.1461425 0.5377666), wk = 0.0026738 k( 356) = ( -0.2500000 0.1547391 0.5377666), wk = 0.0026738 k( 357) = ( -0.2638889 0.1633357 0.5377666), wk = 0.0026738 k( 358) = ( -0.2777778 0.1719323 0.5377666), wk = 0.0026738 k( 359) = ( -0.2916667 0.1805289 0.5377666), wk = 0.0026738 k( 360) = ( -0.3055556 0.1891256 0.5377666), wk = 0.0026738 k( 361) = ( -0.3194444 0.1977222 0.5377666), wk = 0.0026738 k( 362) = ( -0.3333333 0.2063188 0.5377666), wk = 0.0026738 k( 363) = ( -0.3472222 0.2149154 0.5377666), wk = 0.0026738 k( 364) = ( -0.3611111 0.2235120 0.5377666), wk = 0.0026738 k( 365) = ( -0.3750000 0.2321086 0.5377666), wk = 0.0026738 k( 366) = ( -0.3888889 0.2407053 0.5377666), wk = 0.0026738 k( 367) = ( -0.4027778 0.2493019 0.5377666), wk = 0.0026738 k( 368) = ( -0.4166667 0.2578985 0.5377666), wk = 0.0026738 k( 369) = ( -0.4305556 0.2664951 0.5377666), wk = 0.0026738 k( 370) = ( -0.4444444 0.2750917 0.5377666), wk = 0.0026738 k( 371) = ( -0.4583333 0.2836883 0.5377666), wk = 0.0026738 k( 372) = ( -0.4722222 0.2922849 0.5377666), wk = 0.0026738 k( 373) = ( -0.4861111 0.3008816 0.5377666), wk = 0.0026738 k( 374) = ( -0.5000000 0.3094782 0.5377666), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086444 0.0086444 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172888 0.0172888 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259333 0.0259333 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345777 0.0345777 0.0000000), wk = 0.0026738 k( 6) = ( 0.0432221 0.0432221 0.0000000), wk = 0.0026738 k( 7) = ( 0.0518665 0.0518665 0.0000000), wk = 0.0026738 k( 8) = ( 0.0605109 0.0605109 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691554 0.0691554 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777998 0.0777998 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0864442 0.0864442 0.0000000), wk = 0.0026738 k( 12) = ( 0.0950886 0.0950886 0.0000000), wk = 0.0026738 k( 13) = ( 0.1037330 0.1037330 0.0000000), wk = 0.0026738 k( 14) = ( 0.1123774 0.1123774 0.0000000), wk = 0.0026738 k( 15) = ( 0.1210219 0.1210219 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1296663 0.1296663 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1383107 0.1383107 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1469551 0.1469551 0.0000000), wk = 0.0026738 k( 19) = ( 0.1555995 0.1555995 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1642439 0.1642439 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1728884 0.1728884 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1815328 0.1815328 0.0000000), wk = 0.0026738 k( 23) = ( 0.1901772 0.1901772 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1988216 0.1988216 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2074661 0.2074661 0.0000000), wk = 0.0026738 k( 26) = ( 0.2161105 0.2161105 0.0000000), wk = 0.0026738 k( 27) = ( 0.2247549 0.2247549 0.0000000), wk = 0.0026738 k( 28) = ( 0.2333993 0.2333993 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2420437 0.2420437 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2506881 0.2506881 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2593326 0.2593326 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2679770 0.2679770 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2766214 0.2766214 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2852658 0.2852658 0.0000000), wk = 0.0026738 k( 35) = ( 0.2939102 0.2939102 0.0000000), wk = 0.0026738 k( 36) = ( 0.3025546 0.3025547 0.0000000), wk = 0.0026738 k( 37) = ( 0.3111991 0.3111991 0.0000000), wk = 0.0026738 k( 38) = ( 0.3198435 0.3198435 0.0000000), wk = 0.0026738 k( 39) = ( 0.3284879 0.3284879 0.0000000), wk = 0.0026738 k( 40) = ( 0.3371323 0.3371323 0.0000000), wk = 0.0026738 k( 41) = ( 0.3457767 0.3457767 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3457767 0.3457767 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3293112 0.3531207 0.0000000), wk = 0.0026738 k( 44) = ( 0.3128456 0.3604647 0.0000000), wk = 0.0026738 k( 45) = ( 0.2963801 0.3678086 0.0000000), wk = 0.0026738 k( 46) = ( 0.2799145 0.3751526 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2634490 0.3824966 0.0000000), wk = 0.0026738 k( 48) = ( 0.2469834 0.3898405 0.0000000), wk = 0.0026738 k( 49) = ( 0.2305178 0.3971845 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2140523 0.4045285 0.0000000), wk = 0.0026738 k( 51) = ( 0.1975867 0.4118724 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1811212 0.4192164 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1646556 0.4265604 0.0000000), wk = 0.0026738 k( 54) = ( 0.1481900 0.4339043 0.0000000), wk = 0.0026738 k( 55) = ( 0.1317245 0.4412483 0.0000000), wk = 0.0026738 k( 56) = ( 0.1152589 0.4485922 0.0000000), wk = 0.0026738 k( 57) = ( 0.0987934 0.4559362 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0823278 0.4632802 0.0000000), wk = 0.0026738 k( 59) = ( 0.0658622 0.4706241 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493967 0.4779681 0.0000000), wk = 0.0026738 k( 61) = ( 0.0329311 0.4853121 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164656 0.4926560 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) = ( 0.0164656 0.4926560 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329311 0.4853121 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493967 0.4779681 0.5000000), wk = 0.0026738 k( 102) = ( 0.0658622 0.4706241 0.5000000), wk = 0.0026738 k( 103) = ( 0.0823278 0.4632802 0.5000000), wk = 0.0026738 k( 104) = ( 0.0987934 0.4559362 0.5000000), wk = 0.0026738 k( 105) = ( 0.1152589 0.4485922 0.5000000), wk = 0.0026738 k( 106) = ( 0.1317245 0.4412483 0.5000000), wk = 0.0026738 k( 107) = ( 0.1481900 0.4339043 0.5000000), wk = 0.0026738 k( 108) = ( 0.1646556 0.4265604 0.5000000), wk = 0.0026738 k( 109) = ( 0.1811212 0.4192164 0.5000000), wk = 0.0026738 k( 110) = ( 0.1975867 0.4118724 0.5000000), wk = 0.0026738 k( 111) = ( 0.2140523 0.4045285 0.5000000), wk = 0.0026738 k( 112) = ( 0.2305178 0.3971845 0.5000000), wk = 0.0026738 k( 113) = ( 0.2469834 0.3898405 0.5000000), wk = 0.0026738 k( 114) = ( 0.2634490 0.3824966 0.5000000), wk = 0.0026738 k( 115) = ( 0.2799145 0.3751526 0.5000000), wk = 0.0026738 k( 116) = ( 0.2963801 0.3678086 0.5000000), wk = 0.0026738 k( 117) = ( 0.3128456 0.3604647 0.5000000), wk = 0.0026738 k( 118) = ( 0.3293112 0.3531207 0.5000000), wk = 0.0026738 k( 119) = ( 0.3457767 0.3457767 0.5000000), wk = 0.0026738 k( 120) = ( 0.3457767 0.3457767 0.5000000), wk = 0.0026738 k( 121) = ( 0.3371323 0.3371323 0.5000000), wk = 0.0026738 k( 122) = ( 0.3284879 0.3284879 0.5000000), wk = 0.0026738 k( 123) = ( 0.3198435 0.3198435 0.5000000), wk = 0.0026738 k( 124) = ( 0.3111991 0.3111991 0.5000000), wk = 0.0026738 k( 125) = ( 0.3025546 0.3025547 0.5000000), wk = 0.0026738 k( 126) = ( 0.2939102 0.2939102 0.5000000), wk = 0.0026738 k( 127) = ( 0.2852658 0.2852658 0.5000000), wk = 0.0026738 k( 128) = ( 0.2766214 0.2766214 0.5000000), wk = 0.0026738 k( 129) = ( 0.2679770 0.2679770 0.5000000), wk = 0.0026738 k( 130) = ( 0.2593326 0.2593326 0.5000000), wk = 0.0026738 k( 131) = ( 0.2506881 0.2506881 0.5000000), wk = 0.0026738 k( 132) = ( 0.2420437 0.2420437 0.5000000), wk = 0.0026738 k( 133) = ( 0.2333993 0.2333993 0.5000000), wk = 0.0026738 k( 134) = ( 0.2247549 0.2247549 0.5000000), wk = 0.0026738 k( 135) = ( 0.2161105 0.2161105 0.5000000), wk = 0.0026738 k( 136) = ( 0.2074661 0.2074661 0.5000000), wk = 0.0026738 k( 137) = ( 0.1988216 0.1988216 0.5000000), wk = 0.0026738 k( 138) = ( 0.1901772 0.1901772 0.5000000), wk = 0.0026738 k( 139) = ( 0.1815328 0.1815328 0.5000000), wk = 0.0026738 k( 140) = ( 0.1728884 0.1728884 0.5000000), wk = 0.0026738 k( 141) = ( 0.1642439 0.1642439 0.5000000), wk = 0.0026738 k( 142) = ( 0.1555995 0.1555995 0.5000000), wk = 0.0026738 k( 143) = ( 0.1469551 0.1469551 0.5000000), wk = 0.0026738 k( 144) = ( 0.1383107 0.1383107 0.5000000), wk = 0.0026738 k( 145) = ( 0.1296663 0.1296663 0.5000000), wk = 0.0026738 k( 146) = ( 0.1210219 0.1210219 0.5000000), wk = 0.0026738 k( 147) = ( 0.1123774 0.1123774 0.5000000), wk = 0.0026738 k( 148) = ( 0.1037330 0.1037330 0.5000000), wk = 0.0026738 k( 149) = ( 0.0950886 0.0950886 0.5000000), wk = 0.0026738 k( 150) = ( 0.0864442 0.0864442 0.5000000), wk = 0.0026738 k( 151) = ( 0.0777998 0.0777998 0.5000000), wk = 0.0026738 k( 152) = ( 0.0691554 0.0691554 0.5000000), wk = 0.0026738 k( 153) = ( 0.0605109 0.0605109 0.5000000), wk = 0.0026738 k( 154) = ( 0.0518665 0.0518665 0.5000000), wk = 0.0026738 k( 155) = ( 0.0432221 0.0432221 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345777 0.0345777 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259333 0.0259333 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172888 0.0172888 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086444 0.0086444 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) = ( -0.4914320 0.5085680 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828641 0.5171359 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742961 0.5257039 0.0000000), wk = 0.0026738 k( 236) = ( -0.4657282 0.5342718 0.0000000), wk = 0.0026738 k( 237) = ( -0.4571602 0.5428398 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485923 0.5514077 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4400243 0.5599757 0.0000000), wk = 0.0026738 k( 240) = ( -0.4314563 0.5685437 0.0000000), wk = 0.0026738 k( 241) = ( -0.4228884 0.5771116 0.0000000), wk = 0.0026738 k( 242) = ( -0.4143204 0.5856796 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4057525 0.5942475 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3971845 0.6028155 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3886165 0.6113835 0.0000000), wk = 0.0026738 k( 246) = ( -0.3800486 0.6199514 0.0000000), wk = 0.0026738 k( 247) = ( -0.3714806 0.6285194 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3629127 0.6370873 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3543447 0.6456553 0.0000000), wk = 0.0026738 k( 250) = ( -0.3457767 0.6542233 0.0000000), wk = 0.0026738 k( 251) = ( -0.3457767 0.6542233 0.0000000), wk = 0.0026738 k( 252) = ( -0.3457767 0.6542233 0.0151515), wk = 0.0026738 k( 253) = ( -0.3457767 0.6542233 0.0303030), wk = 0.0026738 k( 254) = ( -0.3457767 0.6542233 0.0454546), wk = 0.0026738 k( 255) = ( -0.3457767 0.6542233 0.0606061), wk = 0.0026738 k( 256) = ( -0.3457767 0.6542233 0.0757576), wk = 0.0026738 k( 257) = ( -0.3457767 0.6542233 0.0909091), wk = 0.0026738 k( 258) = ( -0.3457767 0.6542233 0.1060606), wk = 0.0026738 k( 259) = ( -0.3457767 0.6542233 0.1212121), wk = 0.0026738 k( 260) = ( -0.3457767 0.6542233 0.1363636), wk = 0.0026738 k( 261) = ( -0.3457767 0.6542233 0.1515152), wk = 0.0026738 k( 262) = ( -0.3457767 0.6542233 0.1666667), wk = 0.0026738 k( 263) = ( -0.3457767 0.6542233 0.1818182), wk = 0.0026738 k( 264) = ( -0.3457767 0.6542233 0.1969697), wk = 0.0026738 k( 265) = ( -0.3457767 0.6542233 0.2121212), wk = 0.0026738 k( 266) = ( -0.3457767 0.6542233 0.2272727), wk = 0.0026738 k( 267) = ( -0.3457767 0.6542233 0.2424242), wk = 0.0026738 k( 268) = ( -0.3457767 0.6542233 0.2575758), wk = 0.0026738 k( 269) = ( -0.3457767 0.6542233 0.2727273), wk = 0.0026738 k( 270) = ( -0.3457767 0.6542233 0.2878788), wk = 0.0026738 k( 271) = ( -0.3457767 0.6542233 0.3030303), wk = 0.0026738 k( 272) = ( -0.3457767 0.6542233 0.3181818), wk = 0.0026738 k( 273) = ( -0.3457767 0.6542233 0.3333333), wk = 0.0026738 k( 274) = ( -0.3457767 0.6542233 0.3484849), wk = 0.0026738 k( 275) = ( -0.3457767 0.6542233 0.3636364), wk = 0.0026738 k( 276) = ( -0.3457767 0.6542233 0.3787879), wk = 0.0026738 k( 277) = ( -0.3457767 0.6542233 0.3939394), wk = 0.0026738 k( 278) = ( -0.3457767 0.6542233 0.4090909), wk = 0.0026738 k( 279) = ( -0.3457767 0.6542233 0.4242424), wk = 0.0026738 k( 280) = ( -0.3457767 0.6542233 0.4393939), wk = 0.0026738 k( 281) = ( -0.3457767 0.6542233 0.4545455), wk = 0.0026738 k( 282) = ( -0.3457767 0.6542233 0.4696970), wk = 0.0026738 k( 283) = ( -0.3457767 0.6542233 0.4848485), wk = 0.0026738 k( 284) = ( -0.3457767 0.6542233 0.5000000), wk = 0.0026738 k( 285) = ( -0.3457767 0.6542233 0.5000000), wk = 0.0026738 k( 286) = ( -0.3543447 0.6456553 0.5000000), wk = 0.0026738 k( 287) = ( -0.3629127 0.6370873 0.5000000), wk = 0.0026738 k( 288) = ( -0.3714806 0.6285194 0.5000000), wk = 0.0026738 k( 289) = ( -0.3800486 0.6199514 0.5000000), wk = 0.0026738 k( 290) = ( -0.3886165 0.6113835 0.5000000), wk = 0.0026738 k( 291) = ( -0.3971845 0.6028155 0.5000000), wk = 0.0026738 k( 292) = ( -0.4057525 0.5942475 0.5000000), wk = 0.0026738 k( 293) = ( -0.4143204 0.5856796 0.5000000), wk = 0.0026738 k( 294) = ( -0.4228884 0.5771116 0.5000000), wk = 0.0026738 k( 295) = ( -0.4314563 0.5685437 0.5000000), wk = 0.0026738 k( 296) = ( -0.4400243 0.5599757 0.5000000), wk = 0.0026738 k( 297) = ( -0.4485923 0.5514077 0.5000000), wk = 0.0026738 k( 298) = ( -0.4571602 0.5428398 0.5000000), wk = 0.0026738 k( 299) = ( -0.4657282 0.5342718 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742961 0.5257039 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828641 0.5171359 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914320 0.5085680 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: 78529 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34791 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 186, 58) NL pseudopotentials 0.31 Mb ( 93, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1634) G-vector shells 0.01 Mb ( 832) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 186, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.9 secs Computing kpt #: 2 total cpu time spent up to now is 47.8 secs Computing kpt #: 3 total cpu time spent up to now is 51.2 secs Computing kpt #: 4 total cpu time spent up to now is 54.5 secs Computing kpt #: 5 total cpu time spent up to now is 57.6 secs Computing kpt #: 6 total cpu time spent up to now is 60.3 secs Computing kpt #: 7 total cpu time spent up to now is 63.2 secs Computing kpt #: 8 total cpu time spent up to now is 65.8 secs Computing kpt #: 9 total cpu time spent up to now is 68.6 secs Computing kpt #: 10 total cpu time spent up to now is 71.5 secs Computing kpt #: 11 total cpu time spent up to now is 74.3 secs Computing kpt #: 12 total cpu time spent up to now is 77.8 secs Computing kpt #: 13 total cpu time spent up to now is 80.2 secs Computing kpt #: 14 total cpu time spent up to now is 82.6 secs Computing kpt #: 15 total cpu time spent up to now is 85.1 secs Computing kpt #: 16 total cpu time spent up to now is 87.6 secs Computing kpt #: 17 total cpu time spent up to now is 89.9 secs Computing kpt #: 18 total cpu time spent up to now is 92.3 secs Computing kpt #: 19 total cpu time spent up to now is 94.8 secs Computing kpt #: 20 total cpu time spent up to now is 97.6 secs Computing kpt #: 21 total cpu time spent up to now is 100.2 secs Computing kpt #: 22 total cpu time spent up to now is 103.4 secs Computing kpt #: 23 total cpu time spent up to now is 106.7 secs Computing kpt #: 24 total cpu time spent up to now is 110.2 secs Computing kpt #: 25 total cpu time spent up to now is 113.8 secs Computing kpt #: 26 total cpu time spent up to now is 117.2 secs Computing kpt #: 27 total cpu time spent up to now is 120.4 secs Computing kpt #: 28 total cpu time spent up to now is 123.3 secs Computing kpt #: 29 total cpu time spent up to now is 126.2 secs Computing kpt #: 30 total cpu time spent up to now is 129.3 secs Computing kpt #: 31 total cpu time spent up to now is 132.4 secs Computing kpt #: 32 total cpu time spent up to now is 135.5 secs Computing kpt #: 33 total cpu time spent up to now is 138.6 secs Computing kpt #: 34 total cpu time spent up to now is 142.0 secs Computing kpt #: 35 total cpu time spent up to now is 145.6 secs Computing kpt #: 36 total cpu time spent up to now is 148.9 secs Computing kpt #: 37 total cpu time spent up to now is 152.9 secs Computing kpt #: 38 total cpu time spent up to now is 157.1 secs Computing kpt #: 39 total cpu time spent up to now is 160.8 secs Computing kpt #: 40 total cpu time spent up to now is 164.0 secs Computing kpt #: 41 total cpu time spent up to now is 166.9 secs Computing kpt #: 42 total cpu time spent up to now is 169.6 secs Computing kpt #: 43 total cpu time spent up to now is 172.9 secs Computing kpt #: 44 total cpu time spent up to now is 176.6 secs Computing kpt #: 45 total cpu time spent up to now is 179.8 secs Computing kpt #: 46 total cpu time spent up to now is 183.1 secs Computing kpt #: 47 total cpu time spent up to now is 186.3 secs Computing kpt #: 48 total cpu time spent up to now is 189.4 secs Computing kpt #: 49 total cpu time spent up to now is 192.9 secs Computing kpt #: 50 total cpu time spent up to now is 196.1 secs Computing kpt #: 51 total cpu time spent up to now is 199.6 secs Computing kpt #: 52 total cpu time spent up to now is 202.8 secs Computing kpt #: 53 total cpu time spent up to now is 206.5 secs Computing kpt #: 54 total cpu time spent up to now is 210.9 secs Computing kpt #: 55 total cpu time spent up to now is 214.1 secs Computing kpt #: 56 total cpu time spent up to now is 217.2 secs Computing kpt #: 57 total cpu time spent up to now is 220.4 secs Computing kpt #: 58 total cpu time spent up to now is 223.2 secs Computing kpt #: 59 total cpu time spent up to now is 225.9 secs Computing kpt #: 60 total cpu time spent up to now is 228.5 secs Computing kpt #: 61 total cpu time spent up to now is 231.2 secs Computing kpt #: 62 total cpu time spent up to now is 233.7 secs Computing kpt #: 63 total cpu time spent up to now is 236.6 secs Computing kpt #: 64 total cpu time spent up to now is 239.4 secs Computing kpt #: 65 total cpu time spent up to now is 242.0 secs Computing kpt #: 66 total cpu time spent up to now is 244.5 secs Computing kpt #: 67 total cpu time spent up to now is 247.2 secs Computing kpt #: 68 total cpu time spent up to now is 249.9 secs Computing kpt #: 69 total cpu time spent up to now is 252.9 secs Computing kpt #: 70 total cpu time spent up to now is 256.5 secs Computing kpt #: 71 total cpu time spent up to now is 259.4 secs Computing kpt #: 72 total cpu time spent up to now is 262.5 secs Computing kpt #: 73 total cpu time spent up to now is 266.4 secs Computing kpt #: 74 total cpu time spent up to now is 270.5 secs Computing kpt #: 75 total cpu time spent up to now is 274.9 secs Computing kpt #: 76 total cpu time spent up to now is 279.4 secs Computing kpt #: 77 total cpu time spent up to now is 283.9 secs Computing kpt #: 78 total cpu time spent up to now is 288.8 secs Computing kpt #: 79 total cpu time spent up to now is 293.3 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.8 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 304.2 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.8 secs Computing kpt #: 83 total cpu time spent up to now is 314.3 secs Computing kpt #: 84 total cpu time spent up to now is 318.7 secs Computing kpt #: 85 total cpu time spent up to now is 322.1 secs Computing kpt #: 86 total cpu time spent up to now is 325.3 secs Computing kpt #: 87 total cpu time spent up to now is 328.4 secs Computing kpt #: 88 total cpu time spent up to now is 331.3 secs Computing kpt #: 89 total cpu time spent up to now is 334.2 secs Computing kpt #: 90 total cpu time spent up to now is 336.9 secs Computing kpt #: 91 total cpu time spent up to now is 340.0 secs Computing kpt #: 92 total cpu time spent up to now is 342.8 secs Computing kpt #: 93 total cpu time spent up to now is 348.4 secs Computing kpt #: 94 total cpu time spent up to now is 351.3 secs Computing kpt #: 95 total cpu time spent up to now is 354.4 secs Computing kpt #: 96 total cpu time spent up to now is 357.3 secs Computing kpt #: 97 total cpu time spent up to now is 361.0 secs Computing kpt #: 98 total cpu time spent up to now is 364.4 secs Computing kpt #: 99 total cpu time spent up to now is 367.7 secs Computing kpt #: 100 total cpu time spent up to now is 371.1 secs Computing kpt #: 101 total cpu time spent up to now is 374.5 secs Computing kpt #: 102 total cpu time spent up to now is 378.2 secs Computing kpt #: 103 total cpu time spent up to now is 381.5 secs Computing kpt #: 104 total cpu time spent up to now is 384.8 secs Computing kpt #: 105 total cpu time spent up to now is 388.0 secs Computing kpt #: 106 total cpu time spent up to now is 391.7 secs Computing kpt #: 107 total cpu time spent up to now is 395.2 secs Computing kpt #: 108 total cpu time spent up to now is 398.5 secs Computing kpt #: 109 total cpu time spent up to now is 401.9 secs Computing kpt #: 110 total cpu time spent up to now is 405.4 secs Computing kpt #: 111 total cpu time spent up to now is 408.8 secs Computing kpt #: 112 total cpu time spent up to now is 412.4 secs Computing kpt #: 113 total cpu time spent up to now is 416.2 secs Computing kpt #: 114 total cpu time spent up to now is 419.3 secs Computing kpt #: 115 total cpu time spent up to now is 422.8 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.2 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 436.0 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.1 secs Computing kpt #: 120 total cpu time spent up to now is 444.5 secs Computing kpt #: 121 total cpu time spent up to now is 447.8 secs Computing kpt #: 122 total cpu time spent up to now is 451.5 secs Computing kpt #: 123 total cpu time spent up to now is 455.2 secs Computing kpt #: 124 total cpu time spent up to now is 458.4 secs Computing kpt #: 125 total cpu time spent up to now is 461.6 secs Computing kpt #: 126 total cpu time spent up to now is 465.2 secs Computing kpt #: 127 total cpu time spent up to now is 468.8 secs Computing kpt #: 128 total cpu time spent up to now is 472.0 secs Computing kpt #: 129 total cpu time spent up to now is 475.2 secs Computing kpt #: 130 total cpu time spent up to now is 478.7 secs Computing kpt #: 131 total cpu time spent up to now is 482.6 secs Computing kpt #: 132 total cpu time spent up to now is 485.9 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.3 secs Computing kpt #: 134 total cpu time spent up to now is 495.1 secs Computing kpt #: 135 total cpu time spent up to now is 499.5 secs Computing kpt #: 136 total cpu time spent up to now is 503.7 secs Computing kpt #: 137 total cpu time spent up to now is 508.3 secs Computing kpt #: 138 total cpu time spent up to now is 511.9 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.0 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 522.2 secs Computing kpt #: 141 total cpu time spent up to now is 527.1 secs Computing kpt #: 142 total cpu time spent up to now is 531.9 secs Computing kpt #: 143 total cpu time spent up to now is 536.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 541.5 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 547.2 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 552.3 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 557.2 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 562.8 secs Computing kpt #: 149 total cpu time spent up to now is 566.0 secs Computing kpt #: 150 total cpu time spent up to now is 569.5 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.5 secs Computing kpt #: 152 total cpu time spent up to now is 577.6 secs Computing kpt #: 153 total cpu time spent up to now is 581.0 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 586.1 secs Computing kpt #: 155 total cpu time spent up to now is 589.6 secs Computing kpt #: 156 total cpu time spent up to now is 594.2 secs Computing kpt #: 157 total cpu time spent up to now is 597.7 secs Computing kpt #: 158 total cpu time spent up to now is 601.2 secs Computing kpt #: 159 total cpu time spent up to now is 603.7 secs Computing kpt #: 160 total cpu time spent up to now is 606.1 secs Computing kpt #: 161 total cpu time spent up to now is 608.4 secs Computing kpt #: 162 total cpu time spent up to now is 611.5 secs Computing kpt #: 163 total cpu time spent up to now is 614.3 secs Computing kpt #: 164 total cpu time spent up to now is 617.0 secs Computing kpt #: 165 total cpu time spent up to now is 619.7 secs Computing kpt #: 166 total cpu time spent up to now is 622.1 secs Computing kpt #: 167 total cpu time spent up to now is 624.9 secs Computing kpt #: 168 total cpu time spent up to now is 627.6 secs Computing kpt #: 169 total cpu time spent up to now is 630.3 secs Computing kpt #: 170 total cpu time spent up to now is 632.7 secs Computing kpt #: 171 total cpu time spent up to now is 637.2 secs Computing kpt #: 172 total cpu time spent up to now is 640.2 secs Computing kpt #: 173 total cpu time spent up to now is 643.5 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 650.1 secs Computing kpt #: 175 total cpu time spent up to now is 653.9 secs Computing kpt #: 176 total cpu time spent up to now is 657.4 secs Computing kpt #: 177 total cpu time spent up to now is 660.1 secs Computing kpt #: 178 total cpu time spent up to now is 663.0 secs Computing kpt #: 179 total cpu time spent up to now is 666.2 secs Computing kpt #: 180 total cpu time spent up to now is 669.0 secs Computing kpt #: 181 total cpu time spent up to now is 671.9 secs Computing kpt #: 182 total cpu time spent up to now is 674.6 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 679.9 secs Computing kpt #: 184 total cpu time spent up to now is 683.5 secs Computing kpt #: 185 total cpu time spent up to now is 687.2 secs Computing kpt #: 186 total cpu time spent up to now is 690.5 secs Computing kpt #: 187 total cpu time spent up to now is 693.5 secs Computing kpt #: 188 total cpu time spent up to now is 696.0 secs Computing kpt #: 189 total cpu time spent up to now is 698.4 secs Computing kpt #: 190 total cpu time spent up to now is 701.1 secs Computing kpt #: 191 total cpu time spent up to now is 703.8 secs Computing kpt #: 192 total cpu time spent up to now is 706.4 secs Computing kpt #: 193 total cpu time spent up to now is 709.2 secs Computing kpt #: 194 total cpu time spent up to now is 711.7 secs Computing kpt #: 195 total cpu time spent up to now is 714.6 secs Computing kpt #: 196 total cpu time spent up to now is 717.6 secs Computing kpt #: 197 total cpu time spent up to now is 720.2 secs Computing kpt #: 198 total cpu time spent up to now is 722.9 secs Computing kpt #: 199 total cpu time spent up to now is 725.7 secs Computing kpt #: 200 total cpu time spent up to now is 728.3 secs Computing kpt #: 201 total cpu time spent up to now is 731.0 secs Computing kpt #: 202 total cpu time spent up to now is 734.0 secs Computing kpt #: 203 total cpu time spent up to now is 737.1 secs Computing kpt #: 204 total cpu time spent up to now is 739.8 secs Computing kpt #: 205 total cpu time spent up to now is 742.6 secs Computing kpt #: 206 total cpu time spent up to now is 745.6 secs Computing kpt #: 207 total cpu time spent up to now is 748.3 secs Computing kpt #: 208 total cpu time spent up to now is 750.9 secs Computing kpt #: 209 total cpu time spent up to now is 753.7 secs Computing kpt #: 210 total cpu time spent up to now is 756.5 secs Computing kpt #: 211 total cpu time spent up to now is 759.3 secs Computing kpt #: 212 total cpu time spent up to now is 762.4 secs Computing kpt #: 213 total cpu time spent up to now is 765.2 secs Computing kpt #: 214 total cpu time spent up to now is 768.3 secs Computing kpt #: 215 total cpu time spent up to now is 771.1 secs Computing kpt #: 216 total cpu time spent up to now is 773.9 secs Computing kpt #: 217 total cpu time spent up to now is 777.1 secs Computing kpt #: 218 total cpu time spent up to now is 780.1 secs Computing kpt #: 219 total cpu time spent up to now is 783.0 secs Computing kpt #: 220 total cpu time spent up to now is 785.9 secs Computing kpt #: 221 total cpu time spent up to now is 788.8 secs Computing kpt #: 222 total cpu time spent up to now is 791.8 secs Computing kpt #: 223 total cpu time spent up to now is 794.6 secs Computing kpt #: 224 total cpu time spent up to now is 797.8 secs Computing kpt #: 225 total cpu time spent up to now is 800.8 secs Computing kpt #: 226 total cpu time spent up to now is 804.0 secs Computing kpt #: 227 total cpu time spent up to now is 807.0 secs Computing kpt #: 228 total cpu time spent up to now is 810.2 secs Computing kpt #: 229 total cpu time spent up to now is 813.5 secs Computing kpt #: 230 total cpu time spent up to now is 816.7 secs Computing kpt #: 231 total cpu time spent up to now is 819.9 secs Computing kpt #: 232 total cpu time spent up to now is 823.0 secs Computing kpt #: 233 total cpu time spent up to now is 826.0 secs Computing kpt #: 234 total cpu time spent up to now is 828.9 secs Computing kpt #: 235 total cpu time spent up to now is 831.8 secs Computing kpt #: 236 total cpu time spent up to now is 835.1 secs Computing kpt #: 237 total cpu time spent up to now is 838.6 secs Computing kpt #: 238 total cpu time spent up to now is 842.4 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 847.8 secs Computing kpt #: 240 total cpu time spent up to now is 851.4 secs Computing kpt #: 241 total cpu time spent up to now is 854.8 secs Computing kpt #: 242 total cpu time spent up to now is 858.1 secs Computing kpt #: 243 total cpu time spent up to now is 861.1 secs Computing kpt #: 244 total cpu time spent up to now is 864.0 secs Computing kpt #: 245 total cpu time spent up to now is 867.2 secs Computing kpt #: 246 total cpu time spent up to now is 870.1 secs Computing kpt #: 247 total cpu time spent up to now is 873.1 secs Computing kpt #: 248 total cpu time spent up to now is 875.9 secs Computing kpt #: 249 total cpu time spent up to now is 878.8 secs Computing kpt #: 250 total cpu time spent up to now is 881.5 secs Computing kpt #: 251 total cpu time spent up to now is 884.1 secs Computing kpt #: 252 total cpu time spent up to now is 887.0 secs Computing kpt #: 253 total cpu time spent up to now is 889.7 secs Computing kpt #: 254 total cpu time spent up to now is 892.5 secs Computing kpt #: 255 total cpu time spent up to now is 895.6 secs Computing kpt #: 256 total cpu time spent up to now is 898.8 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 904.1 secs Computing kpt #: 258 total cpu time spent up to now is 908.9 secs Computing kpt #: 259 total cpu time spent up to now is 913.2 secs Computing kpt #: 260 total cpu time spent up to now is 917.0 secs Computing kpt #: 261 total cpu time spent up to now is 920.5 secs Computing kpt #: 262 total cpu time spent up to now is 923.6 secs Computing kpt #: 263 total cpu time spent up to now is 926.2 secs Computing kpt #: 264 total cpu time spent up to now is 928.7 secs Computing kpt #: 265 total cpu time spent up to now is 931.7 secs Computing kpt #: 266 total cpu time spent up to now is 934.1 secs Computing kpt #: 267 total cpu time spent up to now is 936.8 secs Computing kpt #: 268 total cpu time spent up to now is 939.6 secs Computing kpt #: 269 total cpu time spent up to now is 942.1 secs Computing kpt #: 270 total cpu time spent up to now is 945.5 secs Computing kpt #: 271 total cpu time spent up to now is 948.4 secs Computing kpt #: 272 total cpu time spent up to now is 950.9 secs Computing kpt #: 273 total cpu time spent up to now is 953.5 secs Computing kpt #: 274 total cpu time spent up to now is 956.1 secs Computing kpt #: 275 total cpu time spent up to now is 958.7 secs Computing kpt #: 276 total cpu time spent up to now is 961.3 secs Computing kpt #: 277 total cpu time spent up to now is 964.1 secs Computing kpt #: 278 total cpu time spent up to now is 968.5 secs Computing kpt #: 279 total cpu time spent up to now is 971.2 secs Computing kpt #: 280 total cpu time spent up to now is 973.7 secs Computing kpt #: 281 total cpu time spent up to now is 977.0 secs Computing kpt #: 282 total cpu time spent up to now is 980.4 secs Computing kpt #: 283 total cpu time spent up to now is 984.0 secs Computing kpt #: 284 total cpu time spent up to now is 987.3 secs Computing kpt #: 285 total cpu time spent up to now is 990.6 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 995.9 secs Computing kpt #: 287 total cpu time spent up to now is 999.6 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1004.5 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1010.0 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1015.2 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1020.6 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1027.0 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1032.3 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1039.0 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1044.2 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1049.5 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1054.9 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1059.7 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1064.9 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1070.5 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1075.8 secs Computing kpt #: 302 total cpu time spent up to now is 1079.3 secs Computing kpt #: 303 total cpu time spent up to now is 1081.8 secs Computing kpt #: 304 total cpu time spent up to now is 1084.0 secs Computing kpt #: 305 total cpu time spent up to now is 1087.0 secs Computing kpt #: 306 total cpu time spent up to now is 1090.0 secs Computing kpt #: 307 total cpu time spent up to now is 1093.3 secs Computing kpt #: 308 total cpu time spent up to now is 1096.0 secs Computing kpt #: 309 total cpu time spent up to now is 1098.5 secs Computing kpt #: 310 total cpu time spent up to now is 1101.9 secs Computing kpt #: 311 total cpu time spent up to now is 1104.7 secs Computing kpt #: 312 total cpu time spent up to now is 1107.3 secs Computing kpt #: 313 total cpu time spent up to now is 1110.3 secs Computing kpt #: 314 total cpu time spent up to now is 1112.7 secs Computing kpt #: 315 total cpu time spent up to now is 1115.2 secs Computing kpt #: 316 total cpu time spent up to now is 1118.2 secs Computing kpt #: 317 total cpu time spent up to now is 1121.0 secs Computing kpt #: 318 total cpu time spent up to now is 1123.3 secs Computing kpt #: 319 total cpu time spent up to now is 1125.6 secs Computing kpt #: 320 total cpu time spent up to now is 1128.5 secs Computing kpt #: 321 total cpu time spent up to now is 1131.0 secs Computing kpt #: 322 total cpu time spent up to now is 1133.7 secs Computing kpt #: 323 total cpu time spent up to now is 1137.5 secs Computing kpt #: 324 total cpu time spent up to now is 1140.5 secs Computing kpt #: 325 total cpu time spent up to now is 1144.0 secs Computing kpt #: 326 total cpu time spent up to now is 1147.7 secs Computing kpt #: 327 total cpu time spent up to now is 1151.5 secs Computing kpt #: 328 total cpu time spent up to now is 1155.5 secs Computing kpt #: 329 total cpu time spent up to now is 1158.6 secs Computing kpt #: 330 total cpu time spent up to now is 1162.0 secs Computing kpt #: 331 total cpu time spent up to now is 1165.0 secs Computing kpt #: 332 total cpu time spent up to now is 1168.1 secs Computing kpt #: 333 total cpu time spent up to now is 1171.2 secs Computing kpt #: 334 total cpu time spent up to now is 1174.3 secs Computing kpt #: 335 total cpu time spent up to now is 1177.4 secs Computing kpt #: 336 total cpu time spent up to now is 1180.4 secs Computing kpt #: 337 total cpu time spent up to now is 1183.4 secs Computing kpt #: 338 total cpu time spent up to now is 1185.6 secs Computing kpt #: 339 total cpu time spent up to now is 1190.1 secs Computing kpt #: 340 total cpu time spent up to now is 1193.7 secs Computing kpt #: 341 total cpu time spent up to now is 1197.0 secs Computing kpt #: 342 total cpu time spent up to now is 1200.3 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1205.5 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1210.5 secs Computing kpt #: 345 total cpu time spent up to now is 1213.9 secs Computing kpt #: 346 total cpu time spent up to now is 1217.4 secs Computing kpt #: 347 total cpu time spent up to now is 1220.8 secs Computing kpt #: 348 total cpu time spent up to now is 1224.3 secs Computing kpt #: 349 total cpu time spent up to now is 1227.9 secs Computing kpt #: 350 total cpu time spent up to now is 1232.8 secs Computing kpt #: 351 total cpu time spent up to now is 1236.3 secs Computing kpt #: 352 total cpu time spent up to now is 1239.5 secs Computing kpt #: 353 total cpu time spent up to now is 1242.7 secs Computing kpt #: 354 total cpu time spent up to now is 1248.2 secs Computing kpt #: 355 total cpu time spent up to now is 1252.0 secs Computing kpt #: 356 total cpu time spent up to now is 1255.2 secs Computing kpt #: 357 total cpu time spent up to now is 1259.1 secs Computing kpt #: 358 total cpu time spent up to now is 1262.6 secs Computing kpt #: 359 total cpu time spent up to now is 1266.6 secs Computing kpt #: 360 total cpu time spent up to now is 1269.8 secs Computing kpt #: 361 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1274.7 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1281.0 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1285.9 secs Computing kpt #: 364 total cpu time spent up to now is 1289.5 secs Computing kpt #: 365 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1295.2 secs Computing kpt #: 366 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1300.3 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1305.5 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1310.6 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1316.1 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1321.1 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1325.9 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1331.6 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1337.2 secs Computing kpt #: 374 total cpu time spent up to now is 1339.9 secs ethr = 2.08E-11, avg # of iterations = 56.8 total cpu time spent up to now is 1340.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4325 PWs) bands (ev): -13.6682 -13.6682 -13.0976 -13.0976 -10.8570 -10.8570 -9.1140 -9.1140 -9.1013 -9.1013 -8.9659 -8.9659 -3.6218 -3.6218 -3.1964 -3.1964 -2.9118 -2.9118 -0.8568 -0.8568 -0.1107 -0.1107 -0.0446 -0.0446 0.3293 0.3293 0.9002 0.9002 1.4682 1.4682 2.2498 2.2498 2.7785 2.7785 3.2970 3.2970 3.4710 3.4710 3.7320 3.7320 3.8358 3.8358 4.3395 4.3395 4.5264 4.5264 5.4315 5.4315 10.6377 10.6377 11.9457 11.9457 12.0363 12.0363 12.9514 12.9514 13.5047 13.5047 k = 0.0086 0.0140-0.0000 ( 4327 PWs) bands (ev): -13.6679 -13.6679 -13.0976 -13.0976 -10.8564 -10.8564 -9.1649 -9.1601 -9.0574 -9.0521 -8.9656 -8.9653 -3.6244 -3.6243 -3.1914 -3.1909 -2.9110 -2.9108 -0.8569 -0.8563 -0.1120 -0.1116 -0.0455 -0.0452 0.3243 0.3259 0.9066 0.9089 1.4667 1.4674 2.2477 2.2486 2.7781 2.7787 3.2948 3.2956 3.4712 3.4712 3.7286 3.7298 3.8348 3.8360 4.3397 4.3398 4.5259 4.5261 5.4308 5.4311 10.6407 10.6408 11.9483 11.9484 12.0369 12.0371 12.9512 12.9516 13.5038 13.5050 k = 0.0173 0.0279-0.0000 ( 4331 PWs) bands (ev): -13.6669 -13.6669 -13.0977 -13.0977 -10.8547 -10.8546 -9.2209 -9.2164 -9.0074 -9.0017 -8.9644 -8.9639 -3.6317 -3.6317 -3.1762 -3.1753 -2.9082 -2.9078 -0.8564 -0.8553 -0.1154 -0.1147 -0.0480 -0.0474 0.3121 0.3151 0.9272 0.9316 1.4628 1.4642 2.2423 2.2442 2.7775 2.7788 3.2892 3.2907 3.4718 3.4718 3.7197 3.7219 3.8332 3.8354 4.3405 4.3407 4.5244 4.5250 5.4289 5.4296 10.6500 10.6500 11.9562 11.9565 12.0389 12.0394 12.9511 12.9519 13.5018 13.5042 k = 0.0259 0.0419-0.0000 ( 4325 PWs) bands (ev): -13.6652 -13.6652 -13.0978 -13.0978 -10.8517 -10.8517 -9.2787 -9.2744 -8.9636 -8.9616 -8.9582 -8.9535 -3.6426 -3.6426 -3.1521 -3.1508 -2.9034 -2.9028 -0.8557 -0.8540 -0.1211 -0.1199 -0.0523 -0.0515 0.2955 0.2993 0.9599 0.9659 1.4565 1.4587 2.2337 2.2364 2.7768 2.7787 3.2803 3.2826 3.4728 3.4729 3.7054 3.7085 3.8309 3.8340 4.3417 4.3420 4.5222 4.5230 5.4260 5.4270 10.6653 10.6653 11.9694 11.9699 12.0422 12.0430 12.9511 12.9523 13.4980 13.5015 k = 0.0346 0.0559-0.0000 ( 4325 PWs) bands (ev): -13.6629 -13.6629 -13.0981 -13.0980 -10.8476 -10.8475 -9.3379 -9.3338 -8.9598 -8.9585 -8.9137 -8.9077 -3.6557 -3.6556 -3.1206 -3.1190 -2.8967 -2.8959 -0.8550 -0.8527 -0.1289 -0.1273 -0.0588 -0.0577 0.2776 0.2819 1.0020 1.0093 1.4479 1.4508 2.2218 2.2253 2.7757 2.7784 3.2686 3.2716 3.4743 3.4744 3.6857 3.6894 3.8280 3.8317 4.3434 4.3438 4.5189 4.5200 5.4221 5.4234 10.6865 10.6866 11.9876 11.9883 12.0469 12.0479 12.9515 12.9530 13.4910 13.4955 k = 0.0432 0.0698-0.0000 ( 4317 PWs) bands (ev): -13.6599 -13.6599 -13.0983 -13.0983 -10.8422 -10.8422 -9.3983 -9.3945 -8.9561 -8.9545 -8.8708 -8.8646 -3.6695 -3.6693 -3.0831 -3.0812 -2.8881 -2.8871 -0.8546 -0.8516 -0.1389 -0.1369 -0.0677 -0.0662 0.2613 0.2658 1.0511 1.0594 1.4369 1.4405 2.2065 2.2108 2.7743 2.7777 3.2544 3.2582 3.4762 3.4764 3.6607 3.6649 3.8243 3.8285 4.3457 4.3462 4.5146 4.5159 5.4172 5.4189 10.7135 10.7136 12.0105 12.0114 12.0528 12.0541 12.9522 12.9541 13.4795 13.4848 k = 0.0519 0.0838-0.0000 ( 4321 PWs) bands (ev): -13.6563 -13.6563 -13.0987 -13.0987 -10.8357 -10.8356 -9.4599 -9.4563 -8.9516 -8.9497 -8.8307 -8.8241 -3.6831 -3.6827 -3.0408 -3.0386 -2.8775 -2.8763 -0.8550 -0.8514 -0.1512 -0.1488 -0.0788 -0.0770 0.2489 0.2534 1.1053 1.1143 1.4235 1.4278 2.1879 2.1930 2.7723 2.7766 3.2384 3.2430 3.4787 3.4788 3.6307 3.6352 3.8198 3.8244 4.3485 4.3491 4.5091 4.5106 5.4115 5.4135 10.7461 10.7462 12.0379 12.0390 12.0599 12.0614 12.9536 12.9558 13.4626 13.4684 k = 0.0605 0.0978-0.0000 ( 4315 PWs) bands (ev): -13.6520 -13.6520 -13.0991 -13.0991 -10.8280 -10.8279 -9.5224 -9.5190 -8.9463 -8.9441 -8.7933 -8.7866 -3.6955 -3.6950 -2.9947 -2.9923 -2.8651 -2.8636 -0.8568 -0.8525 -0.1657 -0.1630 -0.0915 -0.0895 0.2417 0.2459 1.1630 1.1726 1.4077 1.4125 2.1660 2.1717 2.7698 2.7749 3.2212 3.2265 3.4815 3.4818 3.5959 3.6005 3.8146 3.8195 4.3519 4.3525 4.5023 4.5039 5.4050 5.4073 10.7839 10.7841 12.0674 12.0694 12.0698 12.0709 12.9559 12.9583 13.4403 13.4465 k = 0.0692 0.1117-0.0000 ( 4319 PWs) bands (ev): -13.6472 -13.6471 -13.0995 -13.0995 -10.8191 -10.8190 -9.5856 -9.5824 -8.9402 -8.9377 -8.7590 -8.7520 -3.7063 -3.7056 -2.9455 -2.9430 -2.8507 -2.8491 -0.8605 -0.8556 -0.1827 -0.1795 -0.1046 -0.1025 0.2400 0.2441 1.2231 1.2332 1.3893 1.3948 2.1408 2.1471 2.7664 2.7725 3.2034 3.2095 3.4848 3.4853 3.5566 3.5611 3.8086 3.8137 4.3558 4.3565 4.4939 4.4957 5.3978 5.4004 10.8266 10.8269 12.0768 12.0789 12.1044 12.1059 12.9592 12.9619 13.4138 13.4201 k = 0.0778 0.1257-0.0000 ( 4307 PWs) bands (ev): -13.6417 -13.6417 -13.1001 -13.1000 -10.8090 -10.8088 -9.6494 -9.6464 -8.9333 -8.9306 -8.7277 -8.7205 -3.7149 -3.7140 -2.8939 -2.8912 -2.8344 -2.8326 -0.8669 -0.8612 -0.2019 -0.1984 -0.1166 -0.1145 0.2439 0.2478 1.2849 1.2952 1.3685 1.3745 2.1122 2.1192 2.7622 2.7692 3.1855 3.1925 3.4875 3.4888 3.5143 3.5181 3.8019 3.8071 4.3603 4.3611 4.4839 4.4857 5.3900 5.3930 10.8741 10.8744 12.0865 12.0889 12.1427 12.1445 12.9639 12.9667 13.3845 13.3907 k = 0.0864 0.1397-0.0000 ( 4313 PWs) bands (ev): -13.6357 -13.6356 -13.1006 -13.1006 -10.7976 -10.7975 -9.7137 -9.7109 -8.9257 -8.9227 -8.6995 -8.6921 -3.7211 -3.7200 -2.8404 -2.8375 -2.8162 -2.8141 -0.8765 -0.8701 -0.2237 -0.2198 -0.1260 -0.1240 0.2530 0.2568 1.3443 1.3470 1.3522 1.3590 2.0805 2.0880 2.7569 2.7650 3.1682 3.1759 3.4623 3.4681 3.4961 3.4967 3.7943 3.7997 4.3654 4.3663 4.4720 4.4739 5.3816 5.3849 10.9258 10.9262 12.0967 12.0995 12.1839 12.1860 12.9702 12.9730 13.3539 13.3600 k = 0.0951 0.1536-0.0000 ( 4315 PWs) bands (ev): -13.6291 -13.6290 -13.1013 -13.1012 -10.7851 -10.7849 -9.7782 -9.7756 -8.9174 -8.9141 -8.6745 -8.6669 -3.7247 -3.7236 -2.7961 -2.7940 -2.7852 -2.7822 -0.8896 -0.8826 -0.2479 -0.2436 -0.1315 -0.1296 0.2667 0.2704 1.3187 1.3259 1.4108 1.4219 2.0458 2.0537 2.7506 2.7597 3.1517 3.1602 3.4125 3.4180 3.5010 3.5013 3.7860 3.7916 4.3710 4.3720 4.4582 4.4602 5.3727 5.3764 10.9814 10.9819 12.1073 12.1103 12.2276 12.2300 12.9781 12.9809 13.3234 13.3293 k = 0.1037 0.1676-0.0000 ( 4317 PWs) bands (ev): -13.6220 -13.6219 -13.1019 -13.1019 -10.7713 -10.7711 -9.8429 -9.8405 -8.9084 -8.9048 -8.6526 -8.6449 -3.7258 -3.7245 -2.7742 -2.7718 -2.7290 -2.7259 -0.9065 -0.8988 -0.2746 -0.2700 -0.1321 -0.1304 0.2847 0.2884 1.2899 1.2976 1.4739 1.4852 2.0082 2.0164 2.7431 2.7532 3.1365 3.1456 3.3591 3.3645 3.5074 3.5075 3.7769 3.7826 4.3773 4.3784 4.4423 4.4443 5.3633 5.3673 11.0405 11.0411 12.1180 12.1214 12.2736 12.2763 12.9878 12.9904 13.2940 13.2995 k = 0.1124 0.1816-0.0000 ( 4325 PWs) bands (ev): -13.6144 -13.6143 -13.1027 -13.1027 -10.7562 -10.7560 -9.9077 -9.9054 -8.8987 -8.8948 -8.6339 -8.6260 -3.7243 -3.7229 -2.7503 -2.7477 -2.6718 -2.6686 -0.9269 -0.9188 -0.3040 -0.2989 -0.1275 -0.1259 0.3067 0.3104 1.2582 1.2663 1.5367 1.5482 1.9679 1.9765 2.7345 2.7456 3.1225 3.1322 3.3036 3.3090 3.5148 3.5149 3.7671 3.7730 4.3843 4.3854 4.4242 4.4263 5.3534 5.3576 11.1027 11.1034 12.1286 12.1324 12.3215 12.3246 12.9989 13.0011 13.2668 13.2719 k = 0.1210 0.1955-0.0000 ( 4321 PWs) bands (ev): -13.6063 -13.6062 -13.1035 -13.1034 -10.7400 -10.7397 -9.9723 -9.9702 -8.8885 -8.8843 -8.6183 -8.6103 -3.7203 -3.7188 -2.7247 -2.7219 -2.6140 -2.6107 -0.9505 -0.9420 -0.3359 -0.3305 -0.1174 -0.1160 0.3323 0.3362 1.2236 1.2321 1.5989 1.6105 1.9253 1.9342 2.7249 2.7368 3.1093 3.1193 3.2473 3.2528 3.5232 3.5232 3.7567 3.7627 4.3919 4.3930 4.4041 4.4062 5.3428 5.3474 11.1677 11.1685 12.1390 12.1431 12.3713 12.3747 13.0109 13.0124 13.2431 13.2475 k = 0.1297 0.2095-0.0000 ( 4321 PWs) bands (ev): -13.5978 -13.5977 -13.1043 -13.1043 -10.7224 -10.7221 -10.0368 -10.0348 -8.8776 -8.8732 -8.6057 -8.5976 -3.7139 -3.7123 -2.6972 -2.6942 -2.5558 -2.5525 -0.9768 -0.9680 -0.3706 -0.3648 -0.1022 -0.1009 0.3616 0.3657 1.1860 1.1949 1.6601 1.6719 1.8806 1.8899 2.7143 2.7269 3.0953 3.1053 3.1922 3.1982 3.5326 3.5327 3.7456 3.7517 4.3817 4.3839 4.4002 4.4015 5.3317 5.3365 11.2348 11.2358 12.1488 12.1533 12.4229 12.4266 13.0226 13.0230 13.2245 13.2278 k = 0.1383 0.2235-0.0000 ( 4317 PWs) bands (ev): -13.5889 -13.5888 -13.1051 -13.1051 -10.7036 -10.7033 -10.1008 -10.0990 -8.8663 -8.8615 -8.5962 -8.5879 -3.7054 -3.7037 -2.6679 -2.6647 -2.4975 -2.4942 -1.0051 -0.9960 -0.4079 -0.4017 -0.0823 -0.0810 0.3944 0.3986 1.1453 1.1545 1.7202 1.7322 1.8344 1.8439 2.7027 2.7161 3.0748 3.0836 3.1447 3.1522 3.5433 3.5433 3.7338 3.7401 4.3574 4.3596 4.4092 4.4105 5.3198 5.3248 11.3039 11.3049 12.1580 12.1629 12.4762 12.4803 13.0306 13.0317 13.2133 13.2151 k = 0.1470 0.2374-0.0000 ( 4321 PWs) bands (ev): -13.5796 -13.5795 -13.1060 -13.1060 -10.6836 -10.6832 -10.1645 -10.1628 -8.8544 -8.8494 -8.5895 -8.5811 -3.6948 -3.6931 -2.6368 -2.6334 -2.4393 -2.4360 -1.0347 -1.0254 -0.4478 -0.4414 -0.0582 -0.0569 0.4306 0.4351 1.1013 1.1109 1.7787 1.7871 1.7909 1.7967 2.6904 2.7043 3.0368 3.0435 3.1160 3.1259 3.5552 3.5552 3.7215 3.7279 4.3311 4.3333 4.4189 4.4203 5.3070 5.3124 11.3743 11.3756 12.1664 12.1717 12.5315 12.5359 13.0329 13.0356 13.2118 13.2121 k = 0.1556 0.2514-0.0000 ( 4315 PWs) bands (ev): -13.5700 -13.5699 -13.1070 -13.1070 -10.6622 -10.6619 -10.2276 -10.2261 -8.8422 -8.8369 -8.5855 -8.5771 -3.6826 -3.6807 -2.6040 -2.6004 -2.3813 -2.3781 -1.0647 -1.0554 -0.4905 -0.4837 -0.0305 -0.0292 0.4703 0.4749 1.0541 1.0639 1.7384 1.7484 1.8363 1.8485 2.6774 2.6917 2.9847 2.9905 3.1033 3.1142 3.5684 3.5685 3.7087 3.7152 4.3030 4.3051 4.4294 4.4308 5.2934 5.2990 11.4458 11.4472 12.1738 12.1795 12.5887 12.5934 13.0286 13.0327 13.2201 13.2212 k = 0.1642 0.2654-0.0000 ( 4311 PWs) bands (ev): -13.5600 -13.5599 -13.1079 -13.1079 -10.6396 -10.6392 -10.2901 -10.2886 -8.8295 -8.8240 -8.5842 -8.5758 -3.6688 -3.6670 -2.5694 -2.5656 -2.3239 -2.3206 -1.0947 -1.0853 -0.5357 -0.5286 0.0001 0.0015 0.5133 0.5182 1.0034 1.0134 1.6896 1.6999 1.8918 1.9042 2.6637 2.6783 2.9283 2.9339 3.0969 3.1080 3.5829 3.5831 3.6954 3.7020 4.2731 4.2753 4.4406 4.4421 5.2788 5.2846 11.5180 11.5196 12.1801 12.1863 12.6480 12.6531 13.0187 13.0237 13.2382 13.2401 k = 0.1729 0.2793-0.0000 ( 4315 PWs) bands (ev): -13.5498 -13.5497 -13.1089 -13.1089 -10.6157 -10.6153 -10.3518 -10.3505 -8.8166 -8.8108 -8.5853 -8.5769 -3.6540 -3.6521 -2.5331 -2.5292 -2.2670 -2.2639 -1.1239 -1.1145 -0.5834 -0.5760 0.0332 0.0347 0.5595 0.5647 0.9493 0.9594 1.6408 1.6512 1.9457 1.9581 2.6492 2.6640 2.8718 2.8773 3.0931 3.1044 3.5990 3.5992 3.6817 3.6885 4.2417 4.2439 4.4527 4.4542 5.2631 5.2692 11.5904 11.5922 12.1855 12.1921 12.7095 12.7150 13.0054 13.0106 13.2640 13.2661 k = 0.1815 0.2933-0.0000 ( 4323 PWs) bands (ev): -13.5394 -13.5393 -13.1099 -13.1099 -10.5906 -10.5901 -10.4127 -10.4115 -8.8035 -8.7974 -8.5887 -8.5803 -3.6383 -3.6365 -2.4952 -2.4910 -2.2110 -2.2079 -1.1519 -1.1425 -0.6336 -0.6259 0.0683 0.0700 0.6090 0.6145 0.8917 0.9019 1.5922 1.6028 1.9976 2.0101 2.6337 2.6485 2.8169 2.8223 3.0908 3.1020 3.6164 3.6168 3.6679 3.6747 4.2089 4.2111 4.4655 4.4671 5.2463 5.2525 11.6629 11.6648 12.1898 12.1969 12.7729 12.7789 12.9908 12.9959 13.2949 13.2971 k = 0.1902 0.3073-0.0000 ( 4325 PWs) bands (ev): -13.5288 -13.5287 -13.1110 -13.1110 -10.5641 -10.5635 -10.4728 -10.4717 -8.7902 -8.7839 -8.5942 -8.5859 -3.6221 -3.6203 -2.4556 -2.4513 -2.1560 -2.1530 -1.1782 -1.1688 -0.6860 -0.6781 0.1050 0.1068 0.6617 0.6674 0.8305 0.8408 1.5442 1.5550 2.0476 2.0602 2.6165 2.6309 2.7653 2.7703 3.0894 3.1004 3.6342 3.6355 3.6550 3.6611 4.1749 4.1771 4.4792 4.4808 5.2284 5.2348 11.7350 11.7372 12.1931 12.2007 12.8369 12.8440 12.9774 12.9816 13.3293 13.3313 k = 0.1988 0.3212-0.0000 ( 4325 PWs) bands (ev): -13.5181 -13.5179 -13.1120 -13.1120 -10.5365 -10.5358 -10.5316 -10.5308 -8.7768 -8.7703 -8.6017 -8.5935 -3.6057 -3.6039 -2.4144 -2.4100 -2.1022 -2.0993 -1.2022 -1.1929 -0.7404 -0.7323 0.1429 0.1448 0.7172 0.7233 0.7659 0.7762 1.4971 1.5081 2.0957 2.1084 2.5965 2.6097 2.7189 2.7229 3.0885 3.0992 3.6361 3.6435 3.6596 3.6598 4.1397 4.1419 4.4937 4.4953 5.2092 5.2158 11.8065 11.8089 12.1956 12.2036 12.8943 12.9035 12.9730 12.9752 13.3659 13.3676 k = 0.2075 0.3352-0.0000 ( 4325 PWs) bands (ev): -13.5072 -13.5071 -13.1130 -13.1130 -10.5899 -10.5890 -10.5073 -10.5066 -8.7634 -8.7567 -8.6110 -8.6029 -3.5894 -3.5877 -2.3718 -2.3671 -2.0497 -2.0469 -1.2237 -1.2145 -0.7967 -0.7884 0.1816 0.1837 0.6978 0.7081 0.7756 0.7820 1.4510 1.4621 2.1418 2.1546 2.5716 2.5824 2.6807 2.6824 3.0876 3.0981 3.6228 3.6304 3.6811 3.6811 4.1037 4.1059 4.5090 4.5107 5.1888 5.1956 11.8772 11.8799 12.1974 12.2058 12.9154 12.9246 13.0078 13.0099 13.4036 13.4050 k = 0.2161 0.3492-0.0000 ( 4329 PWs) bands (ev): -13.4963 -13.4962 -13.1141 -13.1140 -10.6468 -10.6460 -10.4769 -10.4762 -8.7502 -8.7433 -8.6220 -8.6139 -3.5735 -3.5718 -2.3276 -2.3228 -1.9987 -1.9960 -1.2423 -1.2331 -0.8546 -0.8461 0.2209 0.2231 0.6265 0.6367 0.8366 0.8432 1.4061 1.4173 2.1860 2.1988 2.5405 2.5479 2.6506 2.6520 3.0866 3.0968 3.6086 3.6162 3.7052 3.7054 4.0669 4.0691 4.5252 4.5270 5.1673 5.1741 11.9469 11.9498 12.1986 12.2075 12.9070 12.9148 13.0746 13.0783 13.4415 13.4427 k = 0.2248 0.3631-0.0000 ( 4329 PWs) bands (ev): -13.4853 -13.4852 -13.1151 -13.1151 -10.7026 -10.7018 -10.4453 -10.4446 -8.7371 -8.7300 -8.6343 -8.6263 -3.5584 -3.5567 -2.2821 -2.2771 -1.9494 -1.9468 -1.2576 -1.2486 -0.9137 -0.9050 0.2605 0.2629 0.5521 0.5621 0.8999 0.9068 1.3624 1.3737 2.2283 2.2412 2.5040 2.5084 2.6268 2.6308 3.0853 3.0950 3.5944 3.6020 3.7313 3.7316 4.0296 4.0318 4.5423 4.5440 5.1445 5.1515 12.0153 12.0184 12.1993 12.2087 12.8931 12.9001 13.1497 13.1541 13.4787 13.4802 k = 0.2334 0.3771-0.0000 ( 4325 PWs) bands (ev): -13.4744 -13.4743 -13.1161 -13.1161 -10.7571 -10.7564 -10.4125 -10.4116 -8.7243 -8.7170 -8.6479 -8.6400 -3.5442 -3.5426 -2.2352 -2.2301 -1.9018 -1.8995 -1.2695 -1.2606 -0.9737 -0.9649 0.3002 0.3028 0.4748 0.4847 0.9653 0.9725 1.3200 1.3313 2.2689 2.2818 2.4646 2.4670 2.6086 2.6143 3.0833 3.0925 3.5805 3.5881 3.7592 3.7596 3.9919 3.9940 4.5601 4.5620 5.1207 5.1278 12.0821 12.0855 12.1998 12.2097 12.8781 12.8848 13.2278 13.2327 13.4676 13.4774 k = 0.2420 0.3911-0.0000 ( 4317 PWs) bands (ev): -13.4635 -13.4634 -13.1170 -13.1170 -10.8103 -10.8097 -10.3783 -10.3775 -8.7119 -8.7045 -8.6626 -8.6549 -3.5312 -3.5296 -2.1873 -2.1820 -1.8562 -1.8541 -1.2777 -1.2690 -1.0342 -1.0252 0.3398 0.3426 0.3949 0.4045 1.0324 1.0399 1.2787 1.2901 2.3078 2.3207 2.4246 2.4257 2.5940 2.6004 3.0803 3.0891 3.5671 3.5747 3.7888 3.7893 3.9539 3.9560 4.5788 4.5807 5.0958 5.1029 12.1469 12.1506 12.2003 12.2105 12.8635 12.8699 13.3073 13.3125 13.4110 13.4199 k = 0.2507 0.4050-0.0000 ( 4321 PWs) bands (ev): -13.4527 -13.4526 -13.1179 -13.1179 -10.8622 -10.8617 -10.3430 -10.3420 -8.7001 -8.6924 -8.6782 -8.6706 -3.5196 -3.5180 -2.1383 -2.1329 -1.8128 -1.8108 -1.2821 -1.2735 -1.0947 -1.0857 0.3126 0.3220 0.3790 0.3820 1.1010 1.1088 1.2385 1.2500 2.3451 2.3581 2.3851 2.3855 2.5815 2.5882 3.0763 3.0844 3.5544 3.5618 3.8201 3.8207 3.9159 3.9180 4.5984 4.6003 5.0699 5.0771 12.2003 12.2083 12.2123 12.2136 12.8499 12.8561 13.3477 13.3561 13.3868 13.3923 k = 0.2593 0.4190-0.0000 ( 4315 PWs) bands (ev): -13.4421 -13.4419 -13.1188 -13.1188 -10.9127 -10.9122 -10.3064 -10.3054 -8.6945 -8.6888 -8.6872 -8.6810 -3.5094 -3.5080 -2.0885 -2.0831 -1.7715 -1.7697 -1.2826 -1.2742 -1.1547 -1.1456 0.2282 0.2374 0.4176 0.4208 1.1707 1.1789 1.1993 1.2109 2.3469 2.3470 2.3812 2.3943 2.5707 2.5773 3.0709 3.0783 3.5425 3.5498 3.8530 3.8537 3.8781 3.8801 4.6186 4.6207 5.0432 5.0504 12.2010 12.2121 12.2686 12.2728 12.8382 12.8442 13.2805 13.2883 13.4636 13.4695 k = 0.2680 0.4329-0.0000 ( 4319 PWs) bands (ev): -13.4316 -13.4315 -13.1196 -13.1196 -10.9618 -10.9614 -10.2687 -10.2676 -8.7115 -8.7043 -8.6783 -8.6704 -3.5009 -3.4995 -2.0383 -2.0328 -1.7326 -1.7309 -1.2793 -1.2709 -1.2134 -1.2043 0.1421 0.1510 0.4555 0.4588 1.1608 1.1723 1.2415 1.2497 2.3103 2.3107 2.4160 2.4291 2.5610 2.5673 3.0640 3.0706 3.5316 3.5387 3.8403 3.8422 3.8877 3.8886 4.6396 4.6417 5.0156 5.0229 12.2015 12.2130 12.3233 12.3277 12.8295 12.8353 13.2104 13.2178 13.5344 13.5403 k = 0.2766 0.4469-0.0000 ( 4319 PWs) bands (ev): -13.4213 -13.4212 -13.1204 -13.1204 -11.0094 -11.0090 -10.2298 -10.2286 -8.7290 -8.7220 -8.6686 -8.6606 -3.4941 -3.4927 -1.9882 -1.9827 -1.6959 -1.6945 -1.2752 -1.2671 -1.2639 -1.2610 0.0546 0.0632 0.4923 0.4959 1.1230 1.1346 1.3124 1.3209 2.2756 2.2762 2.4499 2.4630 2.5524 2.5582 3.0554 3.0610 3.5218 3.5287 3.8033 3.8050 3.9238 3.9248 4.6613 4.6635 4.9874 4.9947 12.2022 12.2141 12.3720 12.3766 12.8255 12.8311 13.1391 13.1460 13.5924 13.5978 k = 0.2853 0.4609-0.0000 ( 4323 PWs) bands (ev): -13.4113 -13.4112 -13.1211 -13.1211 -11.0555 -11.0552 -10.1897 -10.1884 -8.7467 -8.7399 -8.6599 -8.6518 -3.4890 -3.4876 -1.9390 -1.9335 -1.6616 -1.6602 -1.3246 -1.3147 -1.2605 -1.2531 -0.0341 -0.0258 0.5280 0.5317 1.0856 1.0972 1.3835 1.3922 2.2431 2.2437 2.4829 2.4960 2.5446 2.5499 3.0449 3.0495 3.5132 3.5198 3.7668 3.7683 3.9613 3.9625 4.6836 4.6859 4.9586 4.9659 12.2030 12.2152 12.4125 12.4171 12.8284 12.8336 13.0677 13.0742 13.6334 13.6377 k = 0.2939 0.4748-0.0000 ( 4319 PWs) bands (ev): -13.4016 -13.4015 -13.1217 -13.1216 -11.1001 -11.0998 -10.1486 -10.1472 -8.7647 -8.7581 -8.6524 -8.6441 -3.4855 -3.4842 -1.8919 -1.8866 -1.6293 -1.6281 -1.3735 -1.3636 -1.2463 -1.2390 -0.1237 -0.1157 0.5623 0.5662 1.0484 1.0600 1.4544 1.4633 2.2126 2.2133 2.5151 2.5282 2.5378 2.5423 3.0325 3.0360 3.5059 3.5123 3.7311 3.7325 4.0003 4.0016 4.7065 4.7089 4.9294 4.9367 12.2036 12.2160 12.4426 12.4469 12.8403 12.8450 12.9975 13.0035 13.6613 13.6647 k = 0.3026 0.4888-0.0000 ( 4319 PWs) bands (ev): -13.3922 -13.3920 -13.1222 -13.1221 -11.1430 -11.1428 -10.1065 -10.1050 -8.7827 -8.7764 -8.6460 -8.6377 -3.4837 -3.4824 -1.8495 -1.8444 -1.5991 -1.5980 -1.4151 -1.4049 -1.2290 -1.2220 -0.2138 -0.2060 0.5950 0.5990 1.0112 1.0229 1.5247 1.5338 2.1843 2.1850 2.5309 2.5349 2.5476 2.5604 3.0182 3.0206 3.5000 3.5060 3.6964 3.6975 4.0406 4.0421 4.7298 4.7323 4.9000 4.9072 12.2039 12.2164 12.4609 12.4648 12.8628 12.8666 12.9296 12.9350 13.6818 13.6846 k = 0.3112 0.5028-0.0000 ( 4323 PWs) bands (ev): -13.3831 -13.3830 -13.1226 -13.1225 -11.1844 -11.1841 -10.0633 -10.0617 -8.8008 -8.7946 -8.6410 -8.6327 -3.4833 -3.4821 -1.8156 -1.8107 -1.5707 -1.5697 -1.4451 -1.4346 -1.2091 -1.2024 -0.3041 -0.2967 0.6260 0.6301 0.9737 0.9855 1.5941 1.6033 2.1581 2.1587 2.5256 2.5285 2.5789 2.5918 3.0020 3.0031 3.4952 3.5010 3.6629 3.6636 4.0821 4.0838 4.7536 4.7561 4.8703 4.8775 12.2034 12.2159 12.4679 12.4712 12.8645 12.8697 12.8953 12.8986 13.6977 13.7000 k = 0.3198 0.5167-0.0000 ( 4319 PWs) bands (ev): -13.3744 -13.3743 -13.1229 -13.1228 -11.2240 -11.2238 -10.0192 -10.0175 -8.8186 -8.8127 -8.6375 -8.6291 -3.4844 -3.4832 -1.7955 -1.7908 -1.5438 -1.5428 -1.4578 -1.4471 -1.1870 -1.1807 -0.3943 -0.3872 0.6550 0.6592 0.9358 0.9476 1.6621 1.6714 2.1339 2.1345 2.5207 2.5226 2.6102 2.6229 2.9839 2.9841 3.4917 3.4972 3.6306 3.6309 4.1248 4.1266 4.7776 4.7803 4.8407 4.8477 12.2016 12.2139 12.4653 12.4680 12.8045 12.8088 12.9360 12.9383 13.7104 13.7124 k = 0.3285 0.5307-0.0000 ( 4323 PWs) bands (ev): -13.3661 -13.3660 -13.1230 -13.1230 -11.2620 -11.2618 -9.9743 -9.9724 -8.8362 -8.8306 -8.6356 -8.6272 -3.4867 -3.4856 -1.7929 -1.7883 -1.5183 -1.5174 -1.4494 -1.4387 -1.1634 -1.1573 -0.4843 -0.4775 0.6821 0.6863 0.8973 0.9091 1.7285 1.7379 2.1119 2.1123 2.5163 2.5171 2.6413 2.6539 2.9631 2.9646 3.4891 3.4947 3.5995 3.5997 4.1685 4.1706 4.8017 4.8044 4.8111 4.8181 12.1977 12.2094 12.4555 12.4577 12.7501 12.7534 12.9824 12.9840 13.6805 13.6897 k = 0.3371 0.5447-0.0000 ( 4323 PWs) bands (ev): -13.3582 -13.3581 -13.1231 -13.1231 -11.2983 -11.2982 -9.9285 -9.9265 -8.8535 -8.8481 -8.6354 -8.6270 -3.4902 -3.4890 -1.8061 -1.8014 -1.4939 -1.4930 -1.4214 -1.4108 -1.1385 -1.1328 -0.5736 -0.5672 0.7070 0.7113 0.8579 0.8698 1.7930 1.8023 2.0918 2.0922 2.5121 2.5124 2.6724 2.6848 2.9409 2.9437 3.4873 3.4931 3.5694 3.5704 4.2132 4.2154 4.7819 4.7886 4.8259 4.8289 12.1906 12.2014 12.4407 12.4424 12.7029 12.7049 13.0325 13.0336 13.5868 13.5958 k = 0.3458 0.5586-0.0000 ( 4320 PWs) bands (ev): -13.3507 -13.3506 -13.1231 -13.1231 -11.3329 -11.3327 -9.8820 -9.8799 -8.8703 -8.8652 -8.6371 -8.6287 -3.4946 -3.4935 -1.8294 -1.8245 -1.4705 -1.4698 -1.3794 -1.3688 -1.1128 -1.1075 -0.6620 -0.6560 0.7297 0.7339 0.8176 0.8295 1.8551 1.8645 2.0737 2.0740 2.5075 2.5089 2.7034 2.7155 2.9176 2.9218 3.4858 3.4925 3.5407 3.5433 4.2587 4.2610 4.7530 4.7596 4.8499 4.8530 12.1795 12.1890 12.4225 12.4240 12.6643 12.6647 13.0848 13.0854 13.4932 13.5022 k = 0.3458 0.5586-0.0000 ( 4320 PWs) bands (ev): -13.3507 -13.3506 -13.1231 -13.1231 -11.3329 -11.3327 -9.8820 -9.8799 -8.8703 -8.8652 -8.6371 -8.6287 -3.4946 -3.4935 -1.8294 -1.8245 -1.4705 -1.4698 -1.3794 -1.3688 -1.1128 -1.1075 -0.6620 -0.6560 0.7297 0.7339 0.8176 0.8295 1.8551 1.8645 2.0737 2.0740 2.5075 2.5089 2.7034 2.7155 2.9176 2.9218 3.4858 3.4925 3.5407 3.5433 4.2587 4.2610 4.7530 4.7596 4.8499 4.8530 12.1795 12.1890 12.4225 12.4240 12.6643 12.6647 13.0848 13.0854 13.4932 13.5022 k = 0.3293 0.5586-0.0000 ( 4322 PWs) bands (ev): -13.3548 -13.3547 -13.1233 -13.1232 -11.3139 -11.3138 -9.9070 -9.9050 -8.8614 -8.8562 -8.6359 -8.6275 -3.4917 -3.4905 -1.8254 -1.8207 -1.4789 -1.4779 -1.4018 -1.3913 -1.1244 -1.1190 -0.6140 -0.6077 0.7168 0.7211 0.8407 0.8527 1.8215 1.8308 2.0840 2.0843 2.5075 2.5085 2.6879 2.7001 2.9310 2.9346 3.4864 3.4928 3.5554 3.5573 4.2348 4.2371 4.7671 4.7736 4.8391 4.8420 12.1862 12.1964 12.4310 12.4329 12.6830 12.6844 13.0574 13.0582 13.5357 13.5445 k = 0.3128 0.5586-0.0000 ( 4321 PWs) bands (ev): -13.3594 -13.3593 -13.1238 -13.1237 -11.2928 -11.2926 -9.9328 -9.9308 -8.8523 -8.8469 -8.6351 -8.6267 -3.4879 -3.4867 -1.8422 -1.8379 -1.4772 -1.4762 -1.4203 -1.4099 -1.1315 -1.1259 -0.5633 -0.5569 0.7014 0.7056 0.8667 0.8787 1.7850 1.7944 2.0965 2.0969 2.5017 2.5025 2.6757 2.6877 2.9459 2.9491 3.4867 3.4931 3.5696 3.5714 4.2121 4.2142 4.7769 4.7822 4.8350 4.8367 12.1930 12.2037 12.4361 12.4387 12.7024 12.7050 13.0313 13.0323 13.5618 13.5699 k = 0.2964 0.5586-0.0000 ( 4320 PWs) bands (ev): -13.3644 -13.3643 -13.1245 -13.1245 -11.2695 -11.2694 -9.9593 -9.9574 -8.8429 -8.8374 -8.6346 -8.6262 -3.4831 -3.4819 -1.8775 -1.8738 -1.4669 -1.4667 -1.4354 -1.4249 -1.1330 -1.1274 -0.5108 -0.5044 0.6839 0.6881 0.8953 0.9072 1.7459 1.7553 2.1110 2.1116 2.4884 2.4897 2.6688 2.6800 2.9617 2.9647 3.4866 3.4934 3.5825 3.5848 4.1910 4.1930 4.7783 4.7814 4.8406 4.8417 12.2006 12.2116 12.4379 12.4412 12.7212 12.7248 13.0068 13.0081 13.5737 13.5808 k = 0.2799 0.5586-0.0000 ( 4324 PWs) bands (ev): -13.3696 -13.3695 -13.1256 -13.1256 -11.2443 -11.2441 -9.9865 -9.9847 -8.8334 -8.8277 -8.6345 -8.6261 -3.4773 -3.4760 -1.9258 -1.9227 -1.4607 -1.4576 -1.4419 -1.4325 -1.1279 -1.1223 -0.4574 -0.4509 0.6649 0.6689 0.9262 0.9380 1.7045 1.7139 2.1274 2.1282 2.4678 2.4698 2.6672 2.6774 2.9780 2.9808 3.4859 3.4934 3.5937 3.5968 4.1723 4.1741 4.7726 4.7741 4.8529 4.8557 12.2097 12.2210 12.4371 12.4412 12.7374 12.7421 12.9843 12.9858 13.5786 13.5849 k = 0.2634 0.5586-0.0000 ( 4326 PWs) bands (ev): -13.3750 -13.3749 -13.1269 -13.1269 -11.2172 -11.2170 -10.0144 -10.0127 -8.8238 -8.8180 -8.6348 -8.6264 -3.4702 -3.4689 -1.9824 -1.9797 -1.4699 -1.4639 -1.4312 -1.4256 -1.1150 -1.1096 -0.4036 -0.3971 0.6447 0.6486 0.9592 0.9710 1.6609 1.6704 2.1451 2.1463 2.4413 2.4441 2.6698 2.6790 2.9946 2.9974 3.4844 3.4927 3.6027 3.6066 4.1565 4.1581 4.7638 4.7648 4.8690 4.8727 12.2206 12.2322 12.4347 12.4394 12.7495 12.7550 12.9642 12.9659 13.5827 13.5885 k = 0.2470 0.5586-0.0000 ( 4327 PWs) bands (ev): -13.3804 -13.3803 -13.1285 -13.1284 -11.1885 -11.1883 -10.0431 -10.0414 -8.8140 -8.8081 -8.6353 -8.6270 -3.4618 -3.4604 -2.0438 -2.0414 -1.4824 -1.4760 -1.4197 -1.4156 -1.0942 -1.0889 -0.3500 -0.3436 0.6239 0.6276 0.9941 1.0059 1.6154 1.6249 2.1638 2.1654 2.4108 2.4140 2.6752 2.6834 3.0112 3.0140 3.4818 3.4908 3.6091 3.6141 4.1440 4.1455 4.7545 4.7555 4.8865 4.8907 12.2336 12.2453 12.4312 12.4365 12.7560 12.7622 12.9465 12.9486 13.5893 13.5948 k = 0.2305 0.5586-0.0000 ( 4327 PWs) bands (ev): -13.3859 -13.3858 -13.1302 -13.1302 -11.1583 -11.1580 -10.0725 -10.0709 -8.8043 -8.7982 -8.6362 -8.6279 -3.4519 -3.4504 -2.1078 -2.1057 -1.4950 -1.4887 -1.4120 -1.4086 -1.0660 -1.0610 -0.2973 -0.2909 0.6031 0.6065 1.0308 1.0426 1.5682 1.5777 2.1825 2.1850 2.3782 2.3814 2.6820 2.6894 3.0276 3.0306 3.4776 3.4874 3.6129 3.6190 4.1351 4.1365 4.7456 4.7467 4.9042 4.9086 12.2488 12.2606 12.4275 12.4333 12.7564 12.7630 12.9313 12.9338 13.6002 13.6053 k = 0.2141 0.5586-0.0000 ( 4325 PWs) bands (ev): -13.3913 -13.3912 -13.1321 -13.1320 -11.1267 -11.1264 -10.1026 -10.1010 -8.7945 -8.7883 -8.6375 -8.6292 -3.4405 -3.4389 -2.1730 -2.1711 -1.5073 -1.5012 -1.4080 -1.4051 -1.0320 -1.0273 -0.2460 -0.2398 0.5829 0.5860 1.0689 1.0807 1.5196 1.5291 2.1993 2.2033 2.3463 2.3486 2.6895 2.6963 3.0438 3.0469 3.4713 3.4818 3.6146 3.6217 4.1296 4.1310 4.7378 4.7390 4.9216 4.9261 12.2661 12.2781 12.4241 12.4303 12.7507 12.7576 12.9181 12.9210 13.6158 13.6206 k = 0.1976 0.5586-0.0000 ( 4330 PWs) bands (ev): -13.3966 -13.3965 -13.1341 -13.1340 -11.0940 -11.0937 -10.1333 -10.1318 -8.7848 -8.7785 -8.6391 -8.6308 -3.4274 -3.4259 -2.2384 -2.2367 -1.5191 -1.5134 -1.4069 -1.4044 -0.9939 -0.9894 -0.1968 -0.1909 0.5643 0.5669 1.1083 1.1199 1.4698 1.4794 2.2089 2.2159 2.3204 2.3206 2.6970 2.7033 3.0596 3.0628 3.4626 3.4734 3.6148 3.6226 4.1272 4.1288 4.7312 4.7325 4.9384 4.9429 12.2854 12.2974 12.4218 12.4284 12.7400 12.7470 12.9061 12.9094 13.6359 13.6405 k = 0.1811 0.5586-0.0000 ( 4330 PWs) bands (ev): -13.4017 -13.4016 -13.1361 -13.1360 -11.0603 -11.0600 -10.1646 -10.1632 -8.7752 -8.7688 -8.6410 -8.6327 -3.4128 -3.4112 -2.3033 -2.3017 -1.5304 -1.5251 -1.4078 -1.4055 -0.9531 -0.9488 -0.1509 -0.1453 0.5483 0.5504 1.1483 1.1597 1.4194 1.4291 2.2015 2.2119 2.3081 2.3111 2.7042 2.7100 3.0749 3.0782 3.4512 3.4621 3.6143 3.6225 4.1275 4.1293 4.7260 4.7273 4.9542 4.9586 12.3062 12.3183 12.4212 12.4281 12.7255 12.7325 12.8944 12.8981 13.6597 13.6641 k = 0.1647 0.5586-0.0000 ( 4336 PWs) bands (ev): -13.4065 -13.4064 -13.1381 -13.1381 -11.0259 -11.0256 -10.1964 -10.1950 -8.7658 -8.7593 -8.6432 -8.6350 -3.3965 -3.3949 -2.3670 -2.3656 -1.5410 -1.5362 -1.4098 -1.4078 -0.9110 -0.9069 -0.1091 -0.1041 0.5364 0.5377 1.1877 1.1989 1.3696 1.3794 2.1751 2.1865 2.3165 2.3201 2.7107 2.7162 3.0896 3.0931 3.4370 3.4476 3.6138 3.6220 4.1297 4.1317 4.7222 4.7236 4.9689 4.9732 12.3279 12.3401 12.4232 12.4303 12.7082 12.7152 12.8823 12.8864 13.6853 13.6896 k = 0.1482 0.5586-0.0000 ( 4343 PWs) bands (ev): -13.4110 -13.4109 -13.1401 -13.1400 -10.9911 -10.9907 -10.2285 -10.2272 -8.7566 -8.7499 -8.6458 -8.6376 -3.3786 -3.3770 -2.4290 -2.4276 -1.5509 -1.5465 -1.4125 -1.4107 -0.8687 -0.8648 -0.0729 -0.0686 0.5299 0.5303 1.2218 1.2323 1.3250 1.3357 2.1385 2.1498 2.3353 2.3385 2.7165 2.7216 3.1038 3.1073 3.4203 3.4302 3.6137 3.6215 4.1333 4.1353 4.7198 4.7212 4.9824 4.9865 12.3493 12.3614 12.4290 12.4364 12.6892 12.6961 12.8695 12.8740 13.7056 13.7098 k = 0.1317 0.5586-0.0000 ( 4341 PWs) bands (ev): -13.4152 -13.4151 -13.1420 -13.1419 -10.9560 -10.9557 -10.2608 -10.2596 -8.7475 -8.7408 -8.6487 -8.6406 -3.3593 -3.3577 -2.4888 -2.4874 -1.5599 -1.5561 -1.4154 -1.4138 -0.8270 -0.8233 -0.0434 -0.0399 0.5298 0.5304 1.2253 1.2345 1.3109 1.3231 2.0977 2.1088 2.3576 2.3604 2.7213 2.7261 3.1173 3.1210 3.4015 3.4107 3.6142 3.6213 4.1377 4.1396 4.7187 4.7201 4.9945 4.9983 12.3685 12.3800 12.4405 12.4481 12.6694 12.6762 12.8559 12.8606 13.6978 13.7004 k = 0.1153 0.5586-0.0000 ( 4345 PWs) bands (ev): -13.4189 -13.4189 -13.1437 -13.1437 -10.9212 -10.9208 -10.2930 -10.2919 -8.7388 -8.7319 -8.6520 -8.6440 -3.3388 -3.3372 -2.5457 -2.5444 -1.5681 -1.5647 -1.4183 -1.4169 -0.7867 -0.7834 -0.0216 -0.0191 0.5374 0.5392 1.1859 1.1945 1.3400 1.3520 2.0550 2.0660 2.3807 2.3832 2.7251 2.7296 3.1302 3.1339 3.3814 3.3897 3.6151 3.6215 4.1422 4.1441 4.7187 4.7200 5.0052 5.0087 12.3843 12.3947 12.4588 12.4663 12.6494 12.6560 12.8412 12.8462 13.6668 13.6695 k = 0.0988 0.5586-0.0000 ( 4345 PWs) bands (ev): -13.4223 -13.4222 -13.1453 -13.1453 -10.8869 -10.8864 -10.3248 -10.3238 -8.7303 -8.7234 -8.6556 -8.6477 -3.3174 -3.3159 -2.5991 -2.5979 -1.5753 -1.5724 -1.4210 -1.4198 -0.7488 -0.7457 -0.0077 -0.0060 0.5537 0.5567 1.1349 1.1435 1.3803 1.3919 2.0116 2.0224 2.4034 2.4056 2.7278 2.7321 3.1424 3.1462 3.3606 3.3680 3.6165 3.6219 4.1466 4.1483 4.7196 4.7208 5.0145 5.0176 12.3968 12.4062 12.4824 12.4898 12.6301 12.6364 12.8253 12.8306 13.6322 13.6349 k = 0.0823 0.5586-0.0000 ( 4346 PWs) bands (ev): -13.4251 -13.4251 -13.1467 -13.1467 -10.8538 -10.8533 -10.3557 -10.3547 -8.7222 -8.7152 -8.6596 -8.6517 -3.2958 -3.2944 -2.6482 -2.6471 -1.5815 -1.5791 -1.4234 -1.4224 -0.7141 -0.7113 -0.0009 0.0001 0.5784 0.5825 1.0815 1.0899 1.4226 1.4337 1.9683 1.9788 2.4248 2.4267 2.7297 2.7335 3.1541 3.1579 3.3401 3.3466 3.6180 3.6225 4.1505 4.1520 4.7211 4.7222 5.0223 5.0251 12.4078 12.4163 12.5082 12.5150 12.6133 12.6188 12.8082 12.8137 13.5987 13.6012 k = 0.0659 0.5586-0.0000 ( 4348 PWs) bands (ev): -13.4275 -13.4275 -13.1479 -13.1479 -10.8227 -10.8223 -10.3848 -10.3840 -8.7144 -8.7074 -8.6639 -8.6561 -3.2748 -3.2735 -2.6919 -2.6909 -1.5865 -1.5846 -1.4254 -1.4246 -0.6835 -0.6811 0.0004 0.0010 0.6104 0.6153 1.0277 1.0359 1.4647 1.4752 1.9262 1.9362 2.4439 2.4456 2.7307 2.7340 3.1653 3.1689 3.3205 3.3261 3.6195 3.6231 4.1538 4.1551 4.7229 4.7238 5.0287 5.0310 12.4184 12.4261 12.5314 12.5362 12.6031 12.6068 12.7896 12.7954 13.5685 13.5706 k = 0.0494 0.5586-0.0000 ( 4348 PWs) bands (ev): -13.4294 -13.4294 -13.1489 -13.1488 -10.7949 -10.7945 -10.4109 -10.4103 -8.7070 -8.7000 -8.6684 -8.6609 -3.2555 -3.2544 -2.7289 -2.7281 -1.5905 -1.5890 -1.4270 -1.4264 -0.6580 -0.6562 -0.0017 -0.0013 0.6478 0.6534 0.9748 0.9826 1.5048 1.5143 1.8867 1.8959 2.4601 2.4615 2.7312 2.7339 3.1757 3.1791 3.3029 3.3075 3.6210 3.6237 4.1565 4.1574 4.7247 4.7254 5.0337 5.0355 12.4289 12.4357 12.5414 12.5445 12.6067 12.6107 12.7697 12.7756 13.5432 13.5449 k = 0.0329 0.5586-0.0000 ( 4346 PWs) bands (ev): -13.4308 -13.4307 -13.1495 -13.1495 -10.7722 -10.7719 -10.4324 -10.4319 -8.7001 -8.6934 -8.6730 -8.6660 -3.2396 -3.2388 -2.7574 -2.7568 -1.5933 -1.5923 -1.4281 -1.4277 -0.6387 -0.6374 -0.0050 -0.0047 0.6883 0.6940 0.9244 0.9315 1.5405 1.5482 1.8526 1.8601 2.4725 2.4735 2.7314 2.7332 3.1851 3.1879 3.2883 3.2918 3.6222 3.6240 4.1584 4.1591 4.7262 4.7267 5.0374 5.0385 12.4390 12.4445 12.5363 12.5401 12.6247 12.6305 12.7489 12.7548 13.5242 13.5253 k = 0.0165 0.5586-0.0000 ( 4346 PWs) bands (ev): -13.4316 -13.4316 -13.1500 -13.1499 -10.7570 -10.7568 -10.4468 -10.4465 -8.6939 -8.6885 -8.6767 -8.6711 -3.2289 -3.2285 -2.7756 -2.7752 -1.5948 -1.5944 -1.4288 -1.4286 -0.6266 -0.6259 -0.0078 -0.0076 0.7269 0.7315 0.8813 0.8867 1.5675 1.5721 1.8285 1.8330 2.4804 2.4809 2.7315 2.7325 3.1923 3.1940 3.2785 3.2805 3.6232 3.6240 4.1596 4.1600 4.7273 4.7275 5.0397 5.0402 12.4474 12.4507 12.5294 12.5321 12.6468 12.6516 12.7300 12.7347 13.5124 13.5130 k = 0.0000 0.5586-0.0000 ( 4348 PWs) bands (ev): -13.4318 -13.4318 -13.1501 -13.1501 -10.7515 -10.7515 -10.4518 -10.4518 -8.6889 -8.6889 -8.6758 -8.6758 -3.2250 -3.2250 -2.7817 -2.7817 -1.5952 -1.5952 -1.4289 -1.4289 -0.6222 -0.6222 -0.0088 -0.0088 0.7484 0.7484 0.8629 0.8629 1.5795 1.5795 1.8210 1.8210 2.4832 2.4832 2.7318 2.7318 3.1957 3.1957 3.2756 3.2756 3.6238 3.6238 4.1602 4.1602 4.7277 4.7277 5.0406 5.0406 12.4520 12.4520 12.5274 12.5274 12.6601 12.6601 12.7225 12.7225 13.5086 13.5086 k = 0.0000 0.5586-0.0000 ( 4348 PWs) bands (ev): -13.4318 -13.4318 -13.1501 -13.1501 -10.7515 -10.7515 -10.4518 -10.4518 -8.6889 -8.6889 -8.6758 -8.6758 -3.2250 -3.2250 -2.7817 -2.7817 -1.5952 -1.5952 -1.4289 -1.4289 -0.6222 -0.6222 -0.0088 -0.0088 0.7484 0.7484 0.8629 0.8629 1.5795 1.5795 1.8210 1.8210 2.4832 2.4832 2.7318 2.7318 3.1957 3.1957 3.2756 3.2756 3.6238 3.6238 4.1602 4.1602 4.7277 4.7277 5.0406 5.0406 12.4520 12.4520 12.5274 12.5274 12.6601 12.6601 12.7225 12.7225 13.5086 13.5086 k = 0.0000 0.5586 0.0163 ( 4352 PWs) bands (ev): -13.4316 -13.4316 -13.1502 -13.1502 -10.7507 -10.7506 -10.4512 -10.4511 -8.6905 -8.6904 -8.6775 -8.6775 -3.2246 -3.2245 -2.7812 -2.7810 -1.5947 -1.5946 -1.4264 -1.4262 -0.6205 -0.6203 -0.0094 -0.0092 0.7465 0.7466 0.8609 0.8611 1.5795 1.5796 1.8218 1.8218 2.4811 2.4811 2.7325 2.7326 3.1974 3.1974 3.2762 3.2763 3.6232 3.6233 4.1604 4.1605 4.7277 4.7277 5.0404 5.0404 12.4490 12.4494 12.5168 12.5174 12.6684 12.6692 12.7176 12.7177 13.5133 13.5134 k = 0.0000 0.5586 0.0326 ( 4346 PWs) bands (ev): -13.4309 -13.4309 -13.1504 -13.1504 -10.7482 -10.7482 -10.4493 -10.4492 -8.6953 -8.6950 -8.6827 -8.6826 -3.2233 -3.2230 -2.7796 -2.7792 -1.5930 -1.5930 -1.4188 -1.4182 -0.6152 -0.6148 -0.0110 -0.0108 0.7409 0.7410 0.8552 0.8557 1.5795 1.5796 1.8239 1.8240 2.4748 2.4749 2.7345 2.7346 3.2021 3.2022 3.2782 3.2784 3.6217 3.6218 4.1613 4.1616 4.7277 4.7277 5.0396 5.0396 12.4403 12.4412 12.4913 12.4920 12.6884 12.6897 12.7040 12.7042 13.5269 13.5270 k = 0.0000 0.5586 0.0489 ( 4354 PWs) bands (ev): -13.4298 -13.4298 -13.1509 -13.1509 -10.7442 -10.7442 -10.4461 -10.4460 -8.7031 -8.7027 -8.6912 -8.6912 -3.2211 -3.2207 -2.7768 -2.7764 -1.5903 -1.5903 -1.4060 -1.4051 -0.6063 -0.6057 -0.0138 -0.0134 0.7317 0.7320 0.8460 0.8468 1.5794 1.5795 1.8274 1.8275 2.4647 2.4648 2.7377 2.7379 3.2098 3.2098 3.2816 3.2819 3.6191 3.6193 4.1629 4.1632 4.7276 4.7277 5.0383 5.0383 12.4258 12.4272 12.4583 12.4587 12.6809 12.6813 12.7156 12.7168 13.5473 13.5474 k = 0.0000 0.5586 0.0652 ( 4354 PWs) bands (ev): -13.4283 -13.4282 -13.1515 -13.1515 -10.7385 -10.7385 -10.4416 -10.4415 -8.7139 -8.7134 -8.7031 -8.7030 -3.2180 -3.2175 -2.7730 -2.7724 -1.5866 -1.5865 -1.3882 -1.3870 -0.5938 -0.5929 -0.0178 -0.0173 0.7195 0.7198 0.8336 0.8346 1.5791 1.5792 1.8319 1.8320 2.4512 2.4513 2.7420 2.7422 3.2198 3.2199 3.2863 3.2867 3.6156 3.6158 4.1650 4.1655 4.7274 4.7275 5.0366 5.0366 12.4050 12.4074 12.4216 12.4222 12.6542 12.6547 12.7428 12.7440 13.5719 13.5720 k = 0.0000 0.5586 0.0815 ( 4342 PWs) bands (ev): -13.4263 -13.4262 -13.1523 -13.1523 -10.7313 -10.7312 -10.4359 -10.4357 -8.7278 -8.7271 -8.7182 -8.7181 -3.2140 -3.2133 -2.7682 -2.7675 -1.5820 -1.5819 -1.3656 -1.3642 -0.5776 -0.5765 -0.0230 -0.0224 0.7046 0.7051 0.8182 0.8194 1.5784 1.5786 1.8372 1.8373 2.4349 2.4350 2.7473 2.7475 3.2318 3.2320 3.2925 3.2929 3.6109 3.6112 4.1677 4.1683 4.7272 4.7274 5.0343 5.0343 12.3758 12.3801 12.3843 12.3868 12.6245 12.6250 12.7703 12.7713 13.5977 13.5980 k = 0.0000 0.5586 0.0978 ( 4334 PWs) bands (ev): -13.4239 -13.4238 -13.1533 -13.1532 -10.7224 -10.7223 -10.4289 -10.4286 -8.7447 -8.7438 -8.7363 -8.7361 -3.2090 -3.2082 -2.7625 -2.7617 -1.5766 -1.5765 -1.3385 -1.3367 -0.5577 -0.5564 -0.0297 -0.0289 0.6876 0.6882 0.8001 0.8016 1.5772 1.5774 1.8428 1.8429 2.4163 2.4164 2.7533 2.7536 3.2452 3.2453 3.3000 3.3005 3.6052 3.6055 4.1709 4.1716 4.7269 4.7271 5.0315 5.0315 12.3387 12.3414 12.3521 12.3534 12.5939 12.5943 12.7975 12.7983 13.6219 13.6226 k = 0.0000 0.5586 0.1141 ( 4336 PWs) bands (ev): -13.4210 -13.4210 -13.1544 -13.1544 -10.7119 -10.7118 -10.4206 -10.4202 -8.7646 -8.7636 -8.7571 -8.7569 -3.2030 -3.2021 -2.7561 -2.7551 -1.5705 -1.5703 -1.3070 -1.3050 -0.5341 -0.5326 -0.0378 -0.0369 0.6693 0.6699 0.7798 0.7815 1.5753 1.5756 1.8483 1.8484 2.3962 2.3963 2.7597 2.7600 3.2594 3.2595 3.3090 3.3095 3.5984 3.5987 4.1746 4.1754 4.7264 4.7267 5.0281 5.0282 12.2994 12.3014 12.3167 12.3177 12.5638 12.5641 12.8240 12.8245 13.6423 13.6434 k = 0.0000 0.5586 0.1304 ( 4336 PWs) bands (ev): -13.4178 -13.4177 -13.1558 -13.1557 -10.6998 -10.6997 -10.4110 -10.4106 -8.7877 -8.7867 -8.7801 -8.7800 -3.1961 -3.1950 -2.7489 -2.7478 -1.5638 -1.5636 -1.2717 -1.2694 -0.5068 -0.5051 -0.0476 -0.0465 0.6501 0.6509 0.7578 0.7597 1.5726 1.5729 1.8533 1.8534 2.3751 2.3751 2.7664 2.7666 3.2738 3.2740 3.3194 3.3199 3.5904 3.5908 4.1786 4.1795 4.7258 4.7261 5.0243 5.0243 12.2604 12.2622 12.2779 12.2791 12.5351 12.5351 12.8496 12.8497 13.6576 13.6591 k = 0.0000 0.5586 0.1467 ( 4336 PWs) bands (ev): -13.4142 -13.4141 -13.1573 -13.1573 -10.6861 -10.6860 -10.4001 -10.3997 -8.8141 -8.8132 -8.8052 -8.8051 -3.1881 -3.1870 -2.7412 -2.7400 -1.5566 -1.5563 -1.2329 -1.2303 -0.4758 -0.4740 -0.0591 -0.0579 0.6310 0.6319 0.7343 0.7364 1.5690 1.5693 1.8573 1.8573 2.3537 2.3537 2.7729 2.7731 3.2880 3.2882 3.3311 3.3316 3.5814 3.5818 4.1828 4.1839 4.7251 4.7254 5.0199 5.0200 12.2226 12.2244 12.2369 12.2388 12.5078 12.5080 12.8738 12.8741 13.6672 13.6691 k = 0.0000 0.5586 0.1630 ( 4334 PWs) bands (ev): -13.4101 -13.4101 -13.1591 -13.1590 -10.6708 -10.6707 -10.3880 -10.3876 -8.8434 -8.8426 -8.8324 -8.8321 -3.1791 -3.1779 -2.7330 -2.7319 -1.5489 -1.5486 -1.1910 -1.1882 -0.4413 -0.4393 -0.0723 -0.0710 0.6124 0.6134 0.7098 0.7122 1.5643 1.5647 1.8596 1.8596 2.3326 2.3326 2.7790 2.7792 3.3017 3.3019 3.3441 3.3445 3.5714 3.5718 4.1872 4.1883 4.7242 4.7245 5.0149 5.0150 12.1862 12.1886 12.1954 12.1985 12.4823 12.4828 12.8964 12.8971 13.6719 13.6740 k = 0.0000 0.5586 0.1793 ( 4336 PWs) bands (ev): -13.4058 -13.4057 -13.1610 -13.1609 -10.6540 -10.6539 -10.3747 -10.3742 -8.8755 -8.8748 -8.8614 -8.8610 -3.1692 -3.1678 -2.7247 -2.7235 -1.5409 -1.5405 -1.1466 -1.1436 -0.4032 -0.4011 -0.0873 -0.0858 0.5951 0.5963 0.6848 0.6874 1.5587 1.5591 1.8598 1.8599 2.3124 2.3125 2.7844 2.7845 3.3143 3.3146 3.3583 3.3585 3.5606 3.5609 4.1914 4.1927 4.7232 4.7236 5.0094 5.0095 12.1500 12.1525 12.1577 12.1614 12.4587 12.4595 12.9174 12.9185 13.6728 13.6750 k = 0.0000 0.5586 0.1956 ( 4334 PWs) bands (ev): -13.4010 -13.4009 -13.1632 -13.1631 -10.6356 -10.6355 -10.3600 -10.3595 -8.9100 -8.9094 -8.8924 -8.8917 -3.1582 -3.1568 -2.7162 -2.7150 -1.5326 -1.5320 -1.1005 -1.0972 -0.3619 -0.3596 -0.1040 -0.1023 0.5797 0.5810 0.6595 0.6623 1.5519 1.5524 1.8573 1.8575 2.2938 2.2940 2.7888 2.7889 3.3257 3.3260 3.3731 3.3732 3.5492 3.5495 4.1955 4.1968 4.7221 4.7225 5.0034 5.0035 12.1129 12.1136 12.1279 12.1304 12.4370 12.4381 12.9361 12.9377 13.6710 13.6733 k = 0.0000 0.5586 0.2118 ( 4340 PWs) bands (ev): -13.3960 -13.3959 -13.1656 -13.1655 -10.6156 -10.6155 -10.3442 -10.3436 -8.9467 -8.9461 -8.9250 -8.9243 -3.1462 -3.1447 -2.7078 -2.7067 -1.5238 -1.5232 -1.0533 -1.0498 -0.3176 -0.3152 -0.1219 -0.1201 0.5667 0.5681 0.6345 0.6375 1.5441 1.5446 1.8517 1.8521 2.2773 2.2776 2.7920 2.7920 3.3355 3.3359 3.3879 3.3882 3.5380 3.5380 4.1990 4.2005 4.7210 4.7214 4.9968 4.9969 12.0768 12.0771 12.1028 12.1047 12.4174 12.4187 12.9524 12.9544 13.6677 13.6701 k = 0.0000 0.5586 0.2281 ( 4336 PWs) bands (ev): -13.3906 -13.3905 -13.1682 -13.1680 -10.5942 -10.5940 -10.3271 -10.3265 -8.9853 -8.9848 -8.9593 -8.9585 -3.1332 -3.1317 -2.6998 -2.6987 -1.5147 -1.5140 -1.0060 -1.0023 -0.2705 -0.2680 -0.1406 -0.1387 0.5565 0.5580 0.6100 0.6133 1.5352 1.5357 1.8426 1.8431 2.2633 2.2637 2.7936 2.7937 3.3437 3.3441 3.4015 3.4023 3.5279 3.5281 4.2018 4.2034 4.7199 4.7203 4.9896 4.9898 12.0436 12.0445 12.0822 12.0840 12.3998 12.4013 12.9657 12.9682 13.6639 13.6663 k = 0.0000 0.5586 0.2444 ( 4332 PWs) bands (ev): -13.3850 -13.3849 -13.1710 -13.1709 -10.5712 -10.5710 -10.3088 -10.3081 -9.0258 -9.0252 -8.9951 -8.9942 -3.1193 -3.1177 -2.6921 -2.6911 -1.5052 -1.5044 -0.9598 -0.9558 -0.2213 -0.2186 -0.1594 -0.1573 0.5495 0.5510 0.5866 0.5901 1.5252 1.5257 1.8298 1.8303 2.2522 2.2527 2.7935 2.7937 3.3501 3.3505 3.4116 3.4130 3.5212 3.5219 4.2037 4.2054 4.7190 4.7194 4.9820 4.9822 12.0147 12.0160 12.0665 12.0684 12.3846 12.3862 12.9756 12.9785 13.6602 13.6625 k = 0.0000 0.5586 0.2607 ( 4334 PWs) bands (ev): -13.3791 -13.3790 -13.1740 -13.1739 -10.5467 -10.5465 -10.2893 -10.2886 -9.0677 -9.0672 -9.0322 -9.0312 -3.1045 -3.1028 -2.6851 -2.6842 -1.4951 -1.4941 -0.9160 -0.9118 -0.1778 -0.1767 -0.1685 -0.1668 0.5459 0.5475 0.5648 0.5686 1.5141 1.5147 1.8131 1.8138 2.2440 2.2446 2.7916 2.7918 3.3546 3.3550 3.4152 3.4172 3.5214 3.5224 4.2044 4.2061 4.7184 4.7188 4.9739 4.9741 11.9908 11.9923 12.0561 12.0580 12.3717 12.3735 12.9817 12.9850 13.6569 13.6592 k = 0.0000 0.5586 0.2770 ( 4328 PWs) bands (ev): -13.3729 -13.3728 -13.1773 -13.1772 -10.5207 -10.5206 -10.2686 -10.2679 -9.1111 -9.1106 -9.0704 -9.0693 -3.0887 -3.0870 -2.6789 -2.6781 -1.4843 -1.4833 -0.8762 -0.8719 -0.1929 -0.1906 -0.1179 -0.1151 0.5446 0.5459 0.5482 0.5492 1.5020 1.5025 1.7928 1.7935 2.2388 2.2394 2.7876 2.7878 3.3572 3.3576 3.4107 3.4130 3.5302 3.5314 4.2036 4.2053 4.7181 4.7185 4.9653 4.9656 11.9722 11.9739 12.0512 12.0533 12.3612 12.3631 12.9837 12.9875 13.6545 13.6564 k = 0.0000 0.5586 0.2933 ( 4330 PWs) bands (ev): -13.3666 -13.3664 -13.1808 -13.1807 -10.4933 -10.4932 -10.2469 -10.2461 -9.1556 -9.1551 -9.1095 -9.1084 -3.0721 -3.0703 -2.6737 -2.6731 -1.4728 -1.4716 -0.8423 -0.8379 -0.2045 -0.2020 -0.0659 -0.0630 0.5283 0.5326 0.5499 0.5518 1.4888 1.4893 1.7690 1.7698 2.2362 2.2369 2.7813 2.7816 3.3579 3.3583 3.3996 3.4020 3.5463 3.5474 4.2011 4.2028 4.7185 4.7188 4.9563 4.9566 11.9594 11.9613 12.0520 12.0542 12.3534 12.3553 12.9815 12.9858 13.6440 13.6475 k = 0.0000 0.5586 0.3096 ( 4330 PWs) bands (ev): -13.3600 -13.3598 -13.1845 -13.1844 -10.4646 -10.4644 -10.2240 -10.2232 -9.2010 -9.2005 -9.1495 -9.1484 -3.0547 -3.0529 -2.6697 -2.6692 -1.4603 -1.4590 -0.8162 -0.8118 -0.2106 -0.2078 -0.0153 -0.0123 0.5157 0.5202 0.5578 0.5596 1.4745 1.4751 1.7421 1.7429 2.2362 2.2369 2.7727 2.7731 3.3568 3.3572 3.3846 3.3871 3.5669 3.5679 4.1967 4.1985 4.7194 4.7198 4.9469 4.9473 11.9527 11.9548 12.0587 12.0610 12.3482 12.3502 12.9752 12.9799 13.6035 13.6065 k = 0.0000 0.5586 0.3259 ( 4328 PWs) bands (ev): -13.3532 -13.3531 -13.1885 -13.1884 -10.4344 -10.4342 -10.2000 -10.1992 -9.2472 -9.2467 -9.1901 -9.1890 -3.0367 -3.0348 -2.6670 -2.6666 -1.4467 -1.4452 -0.7995 -0.7952 -0.2098 -0.2068 0.0324 0.0353 0.5085 0.5132 0.5697 0.5716 1.4592 1.4596 1.7123 1.7131 2.2384 2.2391 2.7616 2.7620 3.3539 3.3543 3.3677 3.3703 3.5904 3.5913 4.1903 4.1921 4.7211 4.7215 4.9373 4.9376 11.9522 11.9544 12.0711 12.0736 12.3457 12.3477 12.9649 12.9700 13.5555 13.5588 k = 0.0000 0.5586 0.3422 ( 4332 PWs) bands (ev): -13.3463 -13.3462 -13.1927 -13.1926 -10.4029 -10.4027 -10.1751 -10.1742 -9.2938 -9.2934 -9.2312 -9.2300 -3.0179 -3.0160 -2.6657 -2.6655 -1.4319 -1.4303 -0.7932 -0.7889 -0.2017 -0.1983 0.0748 0.0776 0.5087 0.5133 0.5859 0.5878 1.4426 1.4431 1.6799 1.6807 2.2426 2.2433 2.7479 2.7483 3.3487 3.3497 3.3503 3.3535 3.6156 3.6164 4.1818 4.1835 4.7237 4.7240 4.9273 4.9277 11.9581 11.9604 12.0892 12.0919 12.3459 12.3479 12.9510 12.9565 13.5007 13.5042 k = 0.0000 0.5586 0.3585 ( 4336 PWs) bands (ev): -13.3393 -13.3392 -13.1972 -13.1970 -10.3702 -10.3700 -10.1493 -10.1484 -9.3408 -9.3403 -9.2726 -9.2714 -2.9986 -2.9967 -2.6660 -2.6660 -1.4157 -1.4139 -0.7969 -0.7928 -0.1865 -0.1829 0.1097 0.1121 0.5182 0.5226 0.6064 0.6082 1.4248 1.4253 1.6453 1.6461 2.2487 2.2493 2.7315 2.7320 3.3326 3.3345 3.3440 3.3445 3.6420 3.6426 4.1712 4.1729 4.7270 4.7273 4.9172 4.9176 11.9704 11.9727 12.1128 12.1157 12.3490 12.3509 12.9340 12.9400 13.4394 13.4431 k = 0.0000 0.5586 0.3748 ( 4338 PWs) bands (ev): -13.3322 -13.3320 -13.2019 -13.2017 -10.3363 -10.3360 -10.1228 -10.1219 -9.3878 -9.3873 -9.3142 -9.3129 -2.9788 -2.9769 -2.6681 -2.6679 -1.3980 -1.3961 -0.8096 -0.8056 -0.1658 -0.1619 0.1353 0.1371 0.5384 0.5423 0.6311 0.6329 1.4058 1.4062 1.6087 1.6094 2.2566 2.2572 2.7125 2.7129 3.3160 3.3181 3.3369 3.3373 3.6692 3.6697 4.1585 4.1601 4.7312 4.7314 4.9069 4.9073 11.9889 11.9912 12.1414 12.1446 12.3548 12.3566 12.9146 12.9210 13.3725 13.3763 k = 0.0000 0.5586 0.3911 ( 4340 PWs) bands (ev): -13.3250 -13.3248 -13.2068 -13.2067 -10.3013 -10.3010 -10.0957 -10.0947 -9.4345 -9.4341 -9.3556 -9.3544 -2.9586 -2.9567 -2.6719 -2.6715 -1.3786 -1.3766 -0.8296 -0.8257 -0.1412 -0.1372 0.1512 0.1522 0.5690 0.5724 0.6600 0.6616 1.3854 1.3858 1.5702 1.5709 2.2662 2.2667 2.6909 2.6913 3.3007 3.3028 3.3288 3.3293 3.6969 3.6973 4.1438 4.1454 4.7362 4.7364 4.8966 4.8970 12.0134 12.0157 12.1746 12.1780 12.3634 12.3651 12.8936 12.9004 13.3012 13.3052 k = 0.0000 0.5586 0.4074 ( 4336 PWs) bands (ev): -13.3178 -13.3176 -13.2120 -13.2118 -10.2652 -10.2649 -10.0682 -10.0672 -9.4806 -9.4801 -9.3969 -9.3956 -2.9381 -2.9362 -2.6775 -2.6769 -1.3576 -1.3555 -0.8552 -0.8515 -0.1146 -0.1104 0.1582 0.1585 0.6083 0.6111 0.6927 0.6941 1.3637 1.3640 1.5300 1.5307 2.2776 2.2780 2.6668 2.6672 3.2870 3.2892 3.3200 3.3206 3.7250 3.7253 4.1273 4.1287 4.7420 4.7421 4.8862 4.8866 12.0438 12.0461 12.2115 12.2151 12.3748 12.3763 12.8717 12.8791 13.2271 13.2312 k = 0.0000 0.5586 0.4237 ( 4342 PWs) bands (ev): -13.3105 -13.3103 -13.2174 -13.2172 -10.2283 -10.2280 -10.0409 -10.0399 -9.5255 -9.5250 -9.4377 -9.4365 -2.9175 -2.9156 -2.6847 -2.6840 -1.3349 -1.3326 -0.8849 -0.8812 -0.0873 -0.0831 0.1580 0.1585 0.6538 0.6560 0.7287 0.7300 1.3406 1.3409 1.4885 1.4892 2.2907 2.2910 2.6407 2.6410 3.2754 3.2776 3.3107 3.3114 3.7532 3.7534 4.1090 4.1103 4.7484 4.7484 4.8758 4.8762 12.0795 12.0817 12.2507 12.2547 12.3890 12.3902 12.8500 12.8579 13.1519 13.1561 k = 0.0000 0.5586 0.4400 ( 4346 PWs) bands (ev): -13.3032 -13.3030 -13.2230 -13.2228 -10.1907 -10.1904 -10.0142 -10.0132 -9.5685 -9.5680 -9.4779 -9.4766 -2.8968 -2.8949 -2.6937 -2.6929 -1.3103 -1.3079 -0.9174 -0.9138 -0.0604 -0.0562 0.1527 0.1537 0.7026 0.7043 0.7674 0.7684 1.3164 1.3167 1.4459 1.4465 2.3056 2.3059 2.6128 2.6131 3.2660 3.2682 3.3012 3.3021 3.7815 3.7816 4.0892 4.0904 4.7554 4.7554 4.8654 4.8658 12.1200 12.1220 12.2906 12.2949 12.4060 12.4069 12.8292 12.8375 13.0780 13.0822 k = 0.0000 0.5586 0.4563 ( 4350 PWs) bands (ev): -13.2960 -13.2958 -13.2288 -13.2286 -10.1526 -10.1523 -9.9894 -9.9884 -9.6085 -9.6080 -9.5171 -9.5158 -2.8761 -2.8743 -2.7044 -2.7034 -1.2841 -1.2815 -0.9517 -0.9483 -0.0346 -0.0305 0.1439 0.1454 0.7525 0.7539 0.8075 0.8084 1.2914 1.2917 1.4026 1.4033 2.3225 2.3227 2.5836 2.5839 3.2588 3.2610 3.2918 3.2928 3.8097 3.8097 4.0680 4.0691 4.7629 4.7630 4.8551 4.8555 12.1643 12.1662 12.3286 12.3331 12.4260 12.4266 12.8093 12.8177 13.0093 13.0133 k = 0.0000 0.5586 0.4726 ( 4356 PWs) bands (ev): -13.2888 -13.2886 -13.2348 -13.2347 -10.1144 -10.1140 -9.9681 -9.9672 -9.6436 -9.6430 -9.5549 -9.5537 -2.8557 -2.8539 -2.7166 -2.7154 -1.2561 -1.2534 -0.9871 -0.9838 -0.0102 -0.0062 0.1326 0.1346 0.8014 0.8025 0.8476 0.8481 1.2666 1.2668 1.3594 1.3601 2.3414 2.3415 2.5537 2.5539 3.2539 3.2560 3.2827 3.2839 3.8377 3.8378 4.0455 4.0465 4.7708 4.7709 4.8450 4.8454 12.2112 12.2130 12.3611 12.3658 12.4495 12.4497 12.7870 12.7943 12.9543 12.9571 k = 0.0000 0.5586 0.4889 ( 4348 PWs) bands (ev): -13.2816 -13.2814 -13.2410 -13.2409 -10.0766 -10.0762 -9.9534 -9.9525 -9.6707 -9.6701 -9.5908 -9.5896 -2.8356 -2.8338 -2.7302 -2.7290 -1.2265 -1.2237 -1.0230 -1.0197 0.0126 0.0165 0.1196 0.1220 0.8471 0.8480 0.8850 0.8853 1.2435 1.2437 1.3174 1.3180 2.3622 2.3624 2.5235 2.5236 3.2513 3.2533 3.2743 3.2756 3.8654 3.8657 4.0220 4.0229 4.7791 4.7793 4.8350 4.8353 12.2588 12.2604 12.3844 12.3888 12.4768 12.4771 12.7537 12.7582 12.9270 12.9270 k = 0.0000 0.5586 0.5052 ( 4348 PWs) bands (ev): -13.2745 -13.2743 -13.2474 -13.2473 -10.0401 -10.0397 -9.9489 -9.9481 -9.6863 -9.6854 -9.6239 -9.6227 -2.8160 -2.8142 -2.7453 -2.7438 -1.1953 -1.1925 -1.0589 -1.0557 0.0339 0.0376 0.1050 0.1078 0.8872 0.8880 0.9158 0.9158 1.2254 1.2257 1.2784 1.2790 2.3851 2.3852 2.4936 2.4937 3.2508 3.2527 3.2668 3.2683 3.8929 3.8932 3.9976 3.9983 4.7878 4.7880 4.8251 4.8255 12.3042 12.3058 12.3950 12.3988 12.5094 12.5101 12.7056 12.7071 12.9310 12.9335 k = 0.0000 0.5586 0.5215 ( 4350 PWs) bands (ev): -13.2676 -13.2674 -13.2540 -13.2538 -10.0063 -10.0059 -9.9572 -9.9566 -9.6874 -9.6865 -9.6528 -9.6517 -2.7970 -2.7953 -2.7615 -2.7600 -1.1628 -1.1598 -1.0943 -1.0912 0.0537 0.0572 0.0892 0.0922 0.9182 0.9188 0.9342 0.9344 1.2173 1.2177 1.2457 1.2463 2.4099 2.4099 2.4644 2.4645 3.2522 3.2541 3.2604 3.2621 3.9199 3.9203 3.9723 3.9730 4.7968 4.7970 4.8155 4.8158 12.3438 12.3456 12.3914 12.3944 12.5490 12.5500 12.6505 12.6507 12.9630 12.9664 k = 0.0000 0.5586 0.5378 ( 4352 PWs) bands (ev): -13.2607 -13.2607 -13.2605 -13.2605 -9.9775 -9.9775 -9.9770 -9.9770 -9.6751 -9.6751 -9.6740 -9.6740 -2.7788 -2.7788 -2.7772 -2.7772 -1.1290 -1.1290 -1.1260 -1.1260 0.0721 0.0721 0.0754 0.0754 0.9352 0.9352 0.9356 0.9356 1.2239 1.2239 1.2245 1.2245 2.4364 2.4364 2.4365 2.4365 3.2555 3.2555 3.2572 3.2572 3.9464 3.9464 3.9469 3.9469 4.8060 4.8060 4.8063 4.8063 12.3738 12.3738 12.3761 12.3761 12.5964 12.5964 12.5973 12.5973 13.0145 13.0145 k = 0.0000 0.5586 0.5378 ( 4352 PWs) bands (ev): -13.2607 -13.2607 -13.2605 -13.2605 -9.9775 -9.9775 -9.9770 -9.9770 -9.6751 -9.6751 -9.6740 -9.6740 -2.7788 -2.7788 -2.7772 -2.7772 -1.1290 -1.1290 -1.1260 -1.1260 0.0721 0.0721 0.0754 0.0754 0.9352 0.9352 0.9356 0.9356 1.2239 1.2239 1.2245 1.2245 2.4364 2.4364 2.4365 2.4365 3.2555 3.2555 3.2572 3.2572 3.9464 3.9464 3.9469 3.9469 4.8060 4.8060 4.8063 4.8063 12.3738 12.3738 12.3761 12.3761 12.5964 12.5964 12.5973 12.5973 13.0145 13.0145 k = 0.0165 0.5586 0.5378 ( 4348 PWs) bands (ev): -13.2606 -13.2606 -13.2604 -13.2604 -9.9799 -9.9799 -9.9793 -9.9793 -9.6730 -9.6730 -9.6719 -9.6719 -2.7771 -2.7771 -2.7755 -2.7755 -1.1326 -1.1326 -1.1296 -1.1296 0.0743 0.0743 0.0776 0.0776 0.9331 0.9331 0.9346 0.9346 1.2251 1.2251 1.2271 1.2271 2.4354 2.4354 2.4359 2.4359 3.2566 3.2566 3.2584 3.2584 3.9470 3.9470 3.9476 3.9476 4.8041 4.8041 4.8045 4.8045 12.3732 12.3732 12.3756 12.3756 12.5962 12.5962 12.5975 12.5975 13.0141 13.0141 k = 0.0329 0.5586 0.5378 ( 4348 PWs) bands (ev): -13.2601 -13.2601 -13.2599 -13.2599 -9.9869 -9.9869 -9.9861 -9.9861 -9.6669 -9.6669 -9.6657 -9.6657 -2.7719 -2.7719 -2.7703 -2.7703 -1.1432 -1.1432 -1.1402 -1.1402 0.0809 0.0809 0.0841 0.0841 0.9279 0.9279 0.9307 0.9307 1.2297 1.2297 1.2334 1.2334 2.4328 2.4328 2.4337 2.4337 3.2599 3.2599 3.2617 3.2617 3.9488 3.9488 3.9495 3.9495 4.7985 4.7985 4.7991 4.7991 12.3714 12.3714 12.3741 12.3741 12.5959 12.5959 12.5980 12.5980 13.0128 13.0128 k = 0.0494 0.5586 0.5378 ( 4350 PWs) bands (ev): -13.2593 -13.2593 -13.2591 -13.2591 -9.9979 -9.9979 -9.9969 -9.9969 -9.6574 -9.6574 -9.6560 -9.6560 -2.7634 -2.7634 -2.7618 -2.7618 -1.1605 -1.1605 -1.1576 -1.1576 0.0915 0.0915 0.0948 0.0948 0.9201 0.9201 0.9242 0.9242 1.2376 1.2376 1.2428 1.2428 2.4287 2.4287 2.4301 2.4301 3.2652 3.2652 3.2671 3.2671 3.9519 3.9519 3.9527 3.9527 4.7892 4.7892 4.7901 4.7901 12.3685 12.3685 12.3716 12.3716 12.5955 12.5955 12.5984 12.5984 13.0107 13.0107 k = 0.0659 0.5586 0.5378 ( 4350 PWs) bands (ev): -13.2582 -13.2582 -13.2580 -13.2580 -10.0122 -10.0122 -10.0110 -10.0110 -9.6450 -9.6450 -9.6434 -9.6434 -2.7516 -2.7516 -2.7499 -2.7499 -1.1843 -1.1843 -1.1814 -1.1814 0.1058 0.1058 0.1091 0.1091 0.9104 0.9104 0.9153 0.9153 1.2484 1.2484 1.2549 1.2549 2.4234 2.4234 2.4251 2.4251 3.2723 3.2723 3.2744 3.2744 3.9562 3.9562 3.9573 3.9573 4.7764 4.7764 4.7775 4.7775 12.3646 12.3646 12.3681 12.3681 12.5951 12.5951 12.5988 12.5988 13.0079 13.0079 k = 0.0823 0.5586 0.5378 ( 4340 PWs) bands (ev): -13.2568 -13.2568 -13.2567 -13.2567 -10.0290 -10.0290 -10.0277 -10.0277 -9.6304 -9.6304 -9.6287 -9.6287 -2.7365 -2.7365 -2.7348 -2.7348 -1.2138 -1.2138 -1.2111 -1.2111 0.1234 0.1234 0.1267 0.1267 0.8991 0.8991 0.9048 0.9048 1.2614 1.2614 1.2690 1.2690 2.4169 2.4169 2.4190 2.4190 3.2810 3.2810 3.2832 3.2832 3.9620 3.9620 3.9632 3.9632 4.7602 4.7602 4.7616 4.7616 12.3596 12.3596 12.3636 12.3636 12.5947 12.5947 12.5992 12.5992 13.0045 13.0045 k = 0.0988 0.5586 0.5378 ( 4340 PWs) bands (ev): -13.2552 -13.2552 -13.2550 -13.2550 -10.0477 -10.0477 -10.0463 -10.0463 -9.6142 -9.6142 -9.6125 -9.6125 -2.7181 -2.7181 -2.7163 -2.7163 -1.2487 -1.2487 -1.2461 -1.2461 0.1435 0.1435 0.1469 0.1469 0.8868 0.8868 0.8929 0.8929 1.2762 1.2762 1.2847 1.2847 2.4095 2.4095 2.4120 2.4120 3.2910 3.2910 3.2932 3.2932 3.9692 3.9692 3.9706 3.9706 4.7408 4.7408 4.7425 4.7425 12.3538 12.3538 12.3580 12.3580 12.5941 12.5941 12.5994 12.5994 13.0008 13.0008 k = 0.1153 0.5586 0.5378 ( 4330 PWs) bands (ev): -13.2533 -13.2533 -13.2531 -13.2531 -10.0679 -10.0679 -10.0664 -10.0664 -9.5969 -9.5969 -9.5951 -9.5951 -2.6966 -2.6966 -2.6948 -2.6948 -1.2884 -1.2884 -1.2858 -1.2858 0.1658 0.1658 0.1692 0.1692 0.8738 0.8738 0.8803 0.8803 1.2924 1.2924 1.3016 1.3016 2.4015 2.4015 2.4042 2.4042 3.3019 3.3019 3.3041 3.3041 3.9780 3.9780 3.9795 3.9795 4.7184 4.7184 4.7204 4.7204 12.3469 12.3469 12.3514 12.3514 12.5933 12.5933 12.5994 12.5994 12.9968 12.9968 k = 0.1317 0.5586 0.5378 ( 4332 PWs) bands (ev): -13.2512 -13.2512 -13.2510 -13.2510 -10.0891 -10.0891 -10.0876 -10.0876 -9.5788 -9.5788 -9.5770 -9.5770 -2.6721 -2.6721 -2.6702 -2.6702 -1.3323 -1.3323 -1.3298 -1.3298 0.1897 0.1897 0.1932 0.1932 0.8604 0.8604 0.8671 0.8671 1.3094 1.3094 1.3192 1.3192 2.3931 2.3931 2.3960 2.3960 3.3132 3.3132 3.3155 3.3155 3.9883 3.9883 3.9901 3.9901 4.6933 4.6933 4.6956 4.6956 12.3391 12.3391 12.3438 12.3438 12.5923 12.5923 12.5992 12.5992 12.9929 12.9929 k = 0.1482 0.5586 0.5378 ( 4334 PWs) bands (ev): -13.2489 -13.2489 -13.2487 -13.2487 -10.1110 -10.1110 -10.1094 -10.1094 -9.5602 -9.5602 -9.5584 -9.5584 -2.6446 -2.6446 -2.6426 -2.6426 -1.3799 -1.3799 -1.3774 -1.3774 0.2148 0.2148 0.2183 0.2183 0.8470 0.8470 0.8538 0.8538 1.3271 1.3271 1.3373 1.3373 2.3845 2.3845 2.3876 2.3876 3.3247 3.3247 3.3269 3.3269 4.0004 4.0004 4.0023 4.0023 4.6658 4.6658 4.6683 4.6683 12.3303 12.3303 12.3350 12.3350 12.5912 12.5912 12.5987 12.5987 12.9893 12.9893 k = 0.1647 0.5586 0.5378 ( 4342 PWs) bands (ev): -13.2464 -13.2464 -13.2462 -13.2462 -10.1333 -10.1333 -10.1317 -10.1317 -9.5414 -9.5414 -9.5395 -9.5395 -2.6143 -2.6143 -2.6123 -2.6123 -1.4307 -1.4307 -1.4284 -1.4284 0.2405 0.2405 0.2442 0.2442 0.8337 0.8337 0.8406 0.8406 1.3450 1.3450 1.3556 1.3556 2.3760 2.3760 2.3793 2.3793 3.3359 3.3359 3.3380 3.3380 4.0143 4.0143 4.0163 4.0163 4.6361 4.6361 4.6388 4.6388 12.3203 12.3203 12.3250 12.3250 12.5897 12.5897 12.5980 12.5980 12.9862 12.9862 k = 0.1811 0.5586 0.5378 ( 4348 PWs) bands (ev): -13.2437 -13.2437 -13.2436 -13.2436 -10.1557 -10.1557 -10.1541 -10.1541 -9.5224 -9.5224 -9.5205 -9.5205 -2.5814 -2.5814 -2.5792 -2.5792 -1.4845 -1.4845 -1.4822 -1.4822 0.2666 0.2666 0.2703 0.2703 0.8207 0.8207 0.8275 0.8275 1.3628 1.3628 1.3738 1.3738 2.3678 2.3678 2.3712 2.3712 3.3466 3.3466 3.3484 3.3484 4.0301 4.0301 4.0322 4.0322 4.6045 4.6045 4.6075 4.6075 12.3090 12.3090 12.3137 12.3137 12.5880 12.5880 12.5970 12.5970 12.9840 12.9840 k = 0.1976 0.5586 0.5378 ( 4336 PWs) bands (ev): -13.2410 -13.2410 -13.2409 -13.2409 -10.1781 -10.1781 -10.1765 -10.1765 -9.5034 -9.5034 -9.5015 -9.5015 -2.5458 -2.5458 -2.5437 -2.5437 -1.5408 -1.5408 -1.5385 -1.5385 0.2927 0.2927 0.2965 0.2965 0.8082 0.8082 0.8150 0.8150 1.3805 1.3805 1.3917 1.3917 2.3601 2.3601 2.3636 2.3636 3.3563 3.3563 3.3579 3.3579 4.0477 4.0477 4.0500 4.0500 4.5716 4.5716 4.5747 4.5747 12.2964 12.2964 12.3009 12.3009 12.5860 12.5860 12.5956 12.5956 12.9830 12.9830 k = 0.2141 0.5586 0.5378 ( 4342 PWs) bands (ev): -13.2382 -13.2382 -13.2381 -13.2381 -10.2003 -10.2003 -10.1987 -10.1987 -9.4844 -9.4844 -9.4825 -9.4825 -2.5079 -2.5079 -2.5057 -2.5057 -1.5993 -1.5993 -1.5970 -1.5970 0.3185 0.3185 0.3224 0.3224 0.7964 0.7964 0.8030 0.8030 1.3976 1.3976 1.4090 1.4090 2.3531 2.3531 2.3567 2.3567 3.3647 3.3647 3.3661 3.3661 4.0673 4.0673 4.0696 4.0696 4.5375 4.5375 4.5408 4.5408 12.2822 12.2822 12.2867 12.2867 12.5837 12.5837 12.5938 12.5938 12.9834 12.9834 k = 0.2305 0.5586 0.5378 ( 4344 PWs) bands (ev): -13.2354 -13.2354 -13.2353 -13.2353 -10.2222 -10.2222 -10.2206 -10.2206 -9.4656 -9.4656 -9.4637 -9.4637 -2.4678 -2.4678 -2.4655 -2.4655 -1.6597 -1.6597 -1.6574 -1.6574 0.3437 0.3437 0.3477 0.3477 0.7853 0.7853 0.7918 0.7918 1.4141 1.4141 1.4256 1.4256 2.3471 2.3471 2.3507 2.3507 3.3718 3.3718 3.3729 3.3729 4.0886 4.0886 4.0912 4.0912 4.5027 4.5027 4.5062 4.5062 12.2664 12.2664 12.2708 12.2708 12.5811 12.5811 12.5917 12.5917 12.9854 12.9854 k = 0.2470 0.5586 0.5378 ( 4344 PWs) bands (ev): -13.2326 -13.2326 -13.2325 -13.2325 -10.2436 -10.2436 -10.2420 -10.2420 -9.4469 -9.4469 -9.4450 -9.4450 -2.4256 -2.4256 -2.4233 -2.4233 -1.7218 -1.7218 -1.7194 -1.7194 0.3681 0.3681 0.3722 0.3722 0.7752 0.7752 0.7815 0.7815 1.4295 1.4295 1.4412 1.4412 2.3422 2.3422 2.3458 2.3458 3.3772 3.3772 3.3781 3.3781 4.1117 4.1117 4.1144 4.1144 4.4677 4.4677 4.4712 4.4712 12.2490 12.2490 12.2533 12.2533 12.5782 12.5782 12.5891 12.5891 12.9894 12.9894 k = 0.2634 0.5586 0.5378 ( 4346 PWs) bands (ev): -13.2299 -13.2299 -13.2297 -13.2297 -10.2643 -10.2643 -10.2628 -10.2628 -9.4284 -9.4284 -9.4266 -9.4266 -2.3816 -2.3816 -2.3792 -2.3792 -1.7853 -1.7853 -1.7829 -1.7829 0.3913 0.3913 0.3955 0.3955 0.7663 0.7663 0.7725 0.7725 1.4438 1.4438 1.4555 1.4555 2.3387 2.3387 2.3422 2.3422 3.3809 3.3809 3.3817 3.3817 4.1362 4.1362 4.1391 4.1391 4.4329 4.4329 4.4365 4.4365 12.2297 12.2297 12.2340 12.2340 12.5749 12.5749 12.5860 12.5860 12.9955 12.9955 k = 0.2799 0.5586 0.5378 ( 4342 PWs) bands (ev): -13.2272 -13.2272 -13.2271 -13.2271 -10.2843 -10.2843 -10.2828 -10.2828 -9.4102 -9.4102 -9.4084 -9.4084 -2.3359 -2.3359 -2.3334 -2.3334 -1.8500 -1.8500 -1.8477 -1.8477 0.4131 0.4131 0.4173 0.4173 0.7589 0.7589 0.7648 0.7648 1.4565 1.4565 1.4684 1.4684 2.3366 2.3366 2.3400 2.3400 3.3829 3.3829 3.3836 3.3836 4.1617 4.1617 4.1648 4.1648 4.3990 4.3990 4.4027 4.4027 12.2088 12.2088 12.2130 12.2130 12.5713 12.5713 12.5823 12.5823 13.0037 13.0037 k = 0.2964 0.5586 0.5378 ( 4342 PWs) bands (ev): -13.2247 -13.2247 -13.2246 -13.2246 -10.3034 -10.3034 -10.3019 -10.3019 -9.3922 -9.3922 -9.3904 -9.3904 -2.2887 -2.2887 -2.2862 -2.2862 -1.9158 -1.9158 -1.9134 -1.9134 0.4330 0.4330 0.4373 0.4373 0.7532 0.7532 0.7589 0.7589 1.4676 1.4676 1.4795 1.4795 2.3362 2.3362 2.3396 2.3396 3.3831 3.3831 3.3838 3.3838 4.1873 4.1873 4.1905 4.1905 4.3673 4.3673 4.3708 4.3708 12.1861 12.1861 12.1902 12.1902 12.5672 12.5672 12.5782 12.5782 13.0140 13.0140 k = 0.3128 0.5586 0.5378 ( 4342 PWs) bands (ev): -13.2224 -13.2224 -13.2224 -13.2224 -10.3216 -10.3216 -10.3202 -10.3202 -9.3745 -9.3745 -9.3727 -9.3727 -2.2403 -2.2403 -2.2378 -2.2378 -1.9824 -1.9824 -1.9800 -1.9800 0.4508 0.4508 0.4552 0.4552 0.7496 0.7496 0.7552 0.7552 1.4768 1.4768 1.4886 1.4886 2.3376 2.3376 2.3409 2.3409 3.3817 3.3817 3.3824 3.3824 4.2103 4.2103 4.2138 4.2138 4.3403 4.3403 4.3434 4.3434 12.1617 12.1617 12.1658 12.1658 12.5627 12.5627 12.5735 12.5735 13.0264 13.0264 k = 0.3293 0.5586 0.5378 ( 4338 PWs) bands (ev): -13.2204 -13.2204 -13.2203 -13.2203 -10.3388 -10.3388 -10.3374 -10.3374 -9.3571 -9.3571 -9.3553 -9.3553 -2.1913 -2.1913 -2.1890 -2.1890 -2.0491 -2.0491 -2.0468 -2.0468 0.4660 0.4660 0.4704 0.4704 0.7487 0.7487 0.7540 0.7540 1.4837 1.4837 1.4955 1.4955 2.3411 2.3411 2.3443 2.3443 3.3788 3.3788 3.3796 3.3796 4.2243 4.2243 4.2280 4.2280 4.3249 4.3249 4.3270 4.3270 12.1358 12.1358 12.1399 12.1399 12.5578 12.5578 12.5684 12.5684 13.0407 13.0407 k = 0.3458 0.5586 0.5378 ( 4346 PWs) bands (ev): -13.2186 -13.2186 -13.2185 -13.2185 -10.3548 -10.3548 -10.3534 -10.3534 -9.3400 -9.3400 -9.3382 -9.3382 -2.1473 -2.1473 -2.1467 -2.1467 -2.1089 -2.1089 -2.1083 -2.1083 0.4781 0.4781 0.4825 0.4825 0.7506 0.7506 0.7557 0.7557 1.4882 1.4882 1.5000 1.5000 2.3467 2.3467 2.3498 2.3498 3.3745 3.3745 3.3754 3.3754 4.2195 4.2195 4.2232 4.2232 4.3307 4.3307 4.3317 4.3317 12.1084 12.1084 12.1124 12.1124 12.5525 12.5525 12.5628 12.5628 13.0567 13.0567 k = 0.3458 0.5586 0.5378 ( 4346 PWs) bands (ev): -13.2186 -13.2186 -13.2185 -13.2185 -10.3548 -10.3548 -10.3534 -10.3534 -9.3400 -9.3400 -9.3382 -9.3382 -2.1473 -2.1473 -2.1467 -2.1467 -2.1089 -2.1089 -2.1083 -2.1083 0.4781 0.4781 0.4825 0.4825 0.7506 0.7506 0.7557 0.7557 1.4882 1.4882 1.5000 1.5000 2.3467 2.3467 2.3498 2.3498 3.3745 3.3745 3.3754 3.3754 4.2195 4.2195 4.2232 4.2232 4.3307 4.3307 4.3317 4.3317 12.1084 12.1084 12.1124 12.1124 12.5525 12.5525 12.5628 12.5628 13.0567 13.0567 k = 0.3371 0.5447 0.5378 ( 4346 PWs) bands (ev): -13.2218 -13.2218 -13.2217 -13.2217 -10.3249 -10.3249 -10.3234 -10.3234 -9.3724 -9.3724 -9.3707 -9.3707 -2.1888 -2.1888 -2.1881 -2.1881 -2.0345 -2.0345 -2.0340 -2.0340 0.4572 0.4572 0.4615 0.4615 0.7438 0.7438 0.7492 0.7492 1.4827 1.4827 1.4945 1.4945 2.3345 2.3345 2.3378 2.3378 3.3832 3.3832 3.3840 3.3840 4.2472 4.2472 4.2508 4.2508 4.3012 4.3012 4.3022 4.3022 12.1611 12.1611 12.1652 12.1652 12.5620 12.5620 12.5728 12.5728 13.0261 13.0261 k = 0.3285 0.5307 0.5378 ( 4350 PWs) bands (ev): -13.2251 -13.2251 -13.2250 -13.2250 -10.2935 -10.2935 -10.2920 -10.2920 -9.4053 -9.4053 -9.4035 -9.4035 -2.2325 -2.2325 -2.2318 -2.2318 -1.9582 -1.9582 -1.9579 -1.9579 0.4341 0.4341 0.4383 0.4383 0.7368 0.7368 0.7426 0.7426 1.4784 1.4784 1.4902 1.4902 2.3236 2.3236 2.3271 2.3271 3.3910 3.3910 3.3915 3.3915 4.2717 4.2717 4.2726 4.2726 4.2772 4.2772 4.2808 4.2808 12.2122 12.2122 12.2162 12.2162 12.5692 12.5692 12.5805 12.5805 12.9984 12.9984 k = 0.3198 0.5167 0.5378 ( 4354 PWs) bands (ev): -13.2286 -13.2286 -13.2285 -13.2285 -10.2608 -10.2608 -10.2592 -10.2592 -9.4385 -9.4385 -9.4367 -9.4367 -2.2782 -2.2782 -2.2776 -2.2776 -1.8805 -1.8805 -1.8802 -1.8802 0.4090 0.4090 0.4130 0.4130 0.7298 0.7298 0.7359 0.7359 1.4756 1.4756 1.4874 1.4874 2.3140 2.3140 2.3177 2.3177 3.3978 3.3978 3.3981 3.3981 4.2448 4.2448 4.2459 4.2459 4.3067 4.3067 4.3103 4.3103 12.2598 12.2598 12.2637 12.2637 12.5733 12.5733 12.5850 12.5850 12.9752 12.9752 k = 0.3112 0.5028 0.5378 ( 4354 PWs) bands (ev): -13.2322 -13.2322 -13.2321 -13.2321 -10.2268 -10.2268 -10.2252 -10.2252 -9.4718 -9.4718 -9.4700 -9.4700 -2.3259 -2.3259 -2.3254 -2.3254 -1.8016 -1.8016 -1.8015 -1.8015 0.3817 0.3817 0.3855 0.3855 0.7228 0.7228 0.7292 0.7292 1.4743 1.4743 1.4860 1.4860 2.3059 2.3059 2.3098 2.3098 3.4037 3.4037 3.4038 3.4038 4.2185 4.2185 4.2195 4.2195 4.3381 4.3381 4.3416 4.3416 12.3020 12.3020 12.3056 12.3056 12.5736 12.5736 12.5857 12.5857 12.9588 12.9588 k = 0.3026 0.4888 0.5378 ( 4352 PWs) bands (ev): -13.2360 -13.2360 -13.2359 -13.2359 -10.1916 -10.1916 -10.1899 -10.1899 -9.5052 -9.5052 -9.5033 -9.5033 -2.3756 -2.3756 -2.3751 -2.3751 -1.7218 -1.7218 -1.7218 -1.7218 0.3525 0.3525 0.3561 0.3561 0.7158 0.7158 0.7225 0.7225 1.4747 1.4747 1.4861 1.4861 2.2994 2.2994 2.3035 2.3035 3.4085 3.4085 3.4087 3.4087 4.1935 4.1935 4.1944 4.1944 4.3705 4.3705 4.3739 4.3739 12.3363 12.3363 12.3394 12.3394 12.5695 12.5695 12.5818 12.5818 12.9513 12.9513 k = 0.2939 0.4748 0.5378 ( 4342 PWs) bands (ev): -13.2398 -13.2398 -13.2397 -13.2397 -10.1551 -10.1551 -10.1534 -10.1534 -9.5384 -9.5384 -9.5366 -9.5366 -2.4272 -2.4272 -2.4267 -2.4267 -1.6417 -1.6417 -1.6415 -1.6415 0.3214 0.3214 0.3247 0.3247 0.7088 0.7088 0.7159 0.7159 1.4766 1.4766 1.4878 1.4878 2.2947 2.2947 2.2990 2.2990 3.4124 3.4124 3.4129 3.4129 4.1698 4.1698 4.1707 4.1707 4.4039 4.4039 4.4071 4.4071 12.3604 12.3604 12.3630 12.3630 12.5603 12.5603 12.5728 12.5728 12.9550 12.9550 k = 0.2853 0.4609 0.5378 ( 4338 PWs) bands (ev): -13.2438 -13.2438 -13.2437 -13.2437 -10.1176 -10.1176 -10.1158 -10.1158 -9.5715 -9.5715 -9.5697 -9.5697 -2.4805 -2.4805 -2.4801 -2.4801 -1.5613 -1.5613 -1.5608 -1.5608 0.2885 0.2885 0.2915 0.2915 0.7019 0.7019 0.7094 0.7094 1.4802 1.4802 1.4911 1.4911 2.2917 2.2917 2.2962 2.2962 3.4154 3.4154 3.4162 3.4162 4.1475 4.1475 4.1484 4.1484 4.4380 4.4380 4.4410 4.4410 12.3731 12.3731 12.3752 12.3752 12.5458 12.5458 12.5583 12.5583 12.9711 12.9711 k = 0.2766 0.4469 0.5378 ( 4330 PWs) bands (ev): -13.2479 -13.2479 -13.2478 -13.2478 -10.0789 -10.0789 -10.0771 -10.0771 -9.6043 -9.6043 -9.6025 -9.6025 -2.5356 -2.5356 -2.5352 -2.5352 -1.4809 -1.4809 -1.4803 -1.4803 0.2541 0.2541 0.2568 0.2568 0.6952 0.6952 0.7030 0.7030 1.4854 1.4854 1.4960 1.4960 2.2906 2.2906 2.2954 2.2954 3.4176 3.4176 3.4187 3.4187 4.1267 4.1267 4.1275 4.1275 4.4727 4.4727 4.4756 4.4756 12.3745 12.3745 12.3761 12.3761 12.5256 12.5256 12.5381 12.5381 12.9992 12.9992 k = 0.2680 0.4329 0.5378 ( 4316 PWs) bands (ev): -13.2520 -13.2520 -13.2519 -13.2519 -10.0392 -10.0392 -10.0374 -10.0374 -9.6367 -9.6367 -9.6349 -9.6349 -2.5922 -2.5922 -2.5920 -2.5920 -1.4010 -1.4010 -1.4001 -1.4001 0.2184 0.2184 0.2208 0.2208 0.6886 0.6886 0.6967 0.6967 1.4921 1.4921 1.5023 1.5023 2.2915 2.2915 2.2965 2.2965 3.4191 3.4191 3.4205 3.4205 4.1074 4.1074 4.1082 4.1082 4.5080 4.5080 4.5107 4.5107 12.3662 12.3662 12.3675 12.3675 12.4998 12.4998 12.5121 12.5121 13.0373 13.0373 k = 0.2593 0.4190 0.5378 ( 4328 PWs) bands (ev): -13.2563 -13.2563 -13.2562 -13.2562 -9.9986 -9.9986 -9.9967 -9.9967 -9.6687 -9.6687 -9.6669 -9.6669 -2.6504 -2.6504 -2.6502 -2.6502 -1.3217 -1.3217 -1.3206 -1.3206 0.1815 0.1815 0.1837 0.1837 0.6823 0.6823 0.6907 0.6907 1.5003 1.5003 1.5101 1.5101 2.2945 2.2945 2.2996 2.2996 3.4199 3.4199 3.4217 3.4217 4.0896 4.0896 4.0902 4.0902 4.5436 4.5436 4.5461 4.5461 12.3507 12.3507 12.3516 12.3516 12.4685 12.4685 12.4807 12.4807 13.0828 13.0828 k = 0.2507 0.4050 0.5378 ( 4334 PWs) bands (ev): -13.2606 -13.2606 -13.2605 -13.2605 -9.9572 -9.9572 -9.9552 -9.9552 -9.7001 -9.7001 -9.6983 -9.6983 -2.7099 -2.7099 -2.7098 -2.7098 -1.2435 -1.2435 -1.2420 -1.2420 0.1438 0.1438 0.1457 0.1457 0.6762 0.6762 0.6850 0.6850 1.5098 1.5098 1.5192 1.5192 2.2994 2.2994 2.3048 2.3048 3.4203 3.4203 3.4224 3.4224 4.0732 4.0732 4.0738 4.0738 4.5794 4.5794 4.5817 4.5817 12.3300 12.3300 12.3307 12.3307 12.4322 12.4322 12.4441 12.4441 13.1328 13.1328 k = 0.2420 0.3911 0.5378 ( 4330 PWs) bands (ev): -13.2650 -13.2650 -13.2648 -13.2648 -9.9150 -9.9150 -9.9130 -9.9130 -9.7309 -9.7309 -9.7291 -9.7291 -2.7707 -2.7707 -2.7706 -2.7706 -1.1665 -1.1665 -1.1648 -1.1648 0.1054 0.1054 0.1070 0.1070 0.6705 0.6705 0.6796 0.6796 1.5205 1.5205 1.5295 1.5295 2.3064 2.3064 2.3120 2.3120 3.4201 3.4201 3.4226 3.4226 4.0582 4.0582 4.0588 4.0588 4.6153 4.6153 4.6174 4.6174 12.3062 12.3062 12.3067 12.3067 12.3914 12.3914 12.4029 12.4029 13.1847 13.1847 k = 0.2334 0.3771 0.5378 ( 4338 PWs) bands (ev): -13.2694 -13.2694 -13.2692 -13.2692 -9.8721 -9.8721 -9.8701 -9.8701 -9.7610 -9.7610 -9.7593 -9.7593 -2.8326 -2.8326 -2.8325 -2.8325 -1.0911 -1.0911 -1.0891 -1.0891 0.0667 0.0667 0.0681 0.0681 0.6651 0.6651 0.6746 0.6746 1.5323 1.5323 1.5410 1.5410 2.3155 2.3155 2.3213 2.3213 3.4196 3.4196 3.4225 3.4225 4.0446 4.0446 4.0451 4.0451 4.6512 4.6512 4.6531 4.6531 12.2806 12.2806 12.2812 12.2812 12.3465 12.3465 12.3576 12.3576 13.2359 13.2359 k = 0.2248 0.3631 0.5378 ( 4340 PWs) bands (ev): -13.2738 -13.2738 -13.2737 -13.2737 -9.8286 -9.8286 -9.8266 -9.8266 -9.7903 -9.7903 -9.7887 -9.7887 -2.8954 -2.8954 -2.8953 -2.8953 -1.0177 -1.0177 -1.0153 -1.0153 0.0278 0.0278 0.0289 0.0289 0.6603 0.6603 0.6701 0.6701 1.5452 1.5452 1.5534 1.5534 2.3265 2.3265 2.3325 2.3325 3.4189 3.4189 3.4221 3.4221 4.0324 4.0324 4.0328 4.0328 4.6869 4.6869 4.6886 4.6886 12.2544 12.2544 12.2550 12.2550 12.2983 12.2983 12.3088 12.3088 13.2841 13.2841 k = 0.2161 0.3492 0.5378 ( 4348 PWs) bands (ev): -13.2783 -13.2783 -13.2781 -13.2781 -9.8190 -9.8190 -9.8173 -9.8173 -9.7845 -9.7845 -9.7826 -9.7826 -2.9590 -2.9590 -2.9589 -2.9589 -0.9464 -0.9464 -0.9437 -0.9437 -0.0111 -0.0111 -0.0101 -0.0101 0.6560 0.6560 0.6661 0.6661 1.5589 1.5589 1.5667 1.5667 2.3393 2.3393 2.3456 2.3456 3.4181 3.4181 3.4216 3.4216 4.0214 4.0214 4.0218 4.0218 4.7223 4.7223 4.7238 4.7238 12.2277 12.2277 12.2291 12.2291 12.2480 12.2480 12.2572 12.2572 13.3268 13.3268 k = 0.2075 0.3352 0.5378 ( 4340 PWs) bands (ev): -13.2827 -13.2827 -13.2826 -13.2826 -9.8467 -9.8467 -9.8451 -9.8451 -9.7403 -9.7403 -9.7383 -9.7383 -3.0232 -3.0232 -3.0230 -3.0230 -0.8776 -0.8776 -0.8746 -0.8746 -0.0496 -0.0496 -0.0489 -0.0489 0.6524 0.6524 0.6627 0.6627 1.5733 1.5733 1.5808 1.5808 2.3539 2.3539 2.3604 2.3604 3.4173 3.4173 3.4212 3.4212 4.0117 4.0117 4.0119 4.0119 4.7572 4.7572 4.7585 4.7585 12.1906 12.1906 12.2022 12.2022 12.2054 12.2054 12.2068 12.2068 13.3615 13.3615 k = 0.1988 0.3212 0.5378 ( 4332 PWs) bands (ev): -13.2871 -13.2871 -13.2870 -13.2870 -9.8735 -9.8735 -9.8719 -9.8719 -9.6957 -9.6957 -9.6937 -9.6937 -3.0877 -3.0877 -3.0874 -3.0874 -0.8114 -0.8114 -0.8081 -0.8081 -0.0877 -0.0877 -0.0871 -0.0871 0.6495 0.6495 0.6600 0.6600 1.5883 1.5883 1.5954 1.5954 2.3701 2.3701 2.3768 2.3768 3.4166 3.4166 3.4209 3.4209 4.0030 4.0030 4.0032 4.0032 4.7916 4.7916 4.7927 4.7927 12.1371 12.1371 12.1477 12.1477 12.1808 12.1808 12.1818 12.1818 13.3855 13.3855 k = 0.1902 0.3073 0.5378 ( 4328 PWs) bands (ev): -13.2915 -13.2915 -13.2914 -13.2914 -9.8994 -9.8994 -9.8978 -9.8978 -9.6511 -9.6511 -9.6491 -9.6491 -3.1524 -3.1524 -3.1520 -3.1520 -0.7482 -0.7482 -0.7446 -0.7446 -0.1252 -0.1252 -0.1247 -0.1247 0.6473 0.6473 0.6581 0.6581 1.6039 1.6039 1.6106 1.6106 2.3877 2.3877 2.3945 2.3945 3.4163 3.4163 3.4209 3.4209 3.9955 3.9955 3.9956 3.9956 4.8254 4.8254 4.8263 4.8263 12.0813 12.0813 12.0912 12.0912 12.1590 12.1590 12.1597 12.1597 13.3967 13.3967 k = 0.1815 0.2933 0.5378 ( 4332 PWs) bands (ev): -13.2959 -13.2959 -13.2958 -13.2958 -9.9243 -9.9243 -9.9228 -9.9228 -9.6064 -9.6064 -9.6045 -9.6045 -3.2171 -3.2171 -3.2166 -3.2166 -0.6882 -0.6882 -0.6842 -0.6842 -0.1618 -0.1618 -0.1615 -0.1615 0.6460 0.6460 0.6570 0.6570 1.6197 1.6197 1.6261 1.6261 2.4064 2.4064 2.4134 2.4134 3.4164 3.4164 3.4214 3.4214 3.9889 3.9889 3.9890 3.9890 4.8583 4.8583 4.8590 4.8590 12.0248 12.0248 12.0341 12.0341 12.1392 12.1392 12.1399 12.1399 13.3942 13.3942 k = 0.1729 0.2793 0.5378 ( 4332 PWs) bands (ev): -13.3002 -13.3002 -13.3001 -13.3001 -9.9482 -9.9482 -9.9467 -9.9467 -9.5620 -9.5620 -9.5600 -9.5600 -3.2814 -3.2814 -3.2809 -3.2809 -0.6314 -0.6314 -0.6272 -0.6272 -0.1974 -0.1974 -0.1972 -0.1972 0.6457 0.6457 0.6568 0.6568 1.6358 1.6358 1.6418 1.6418 2.4260 2.4260 2.4331 2.4331 3.4172 3.4172 3.4225 3.4225 3.9833 3.9833 3.9833 3.9833 4.8903 4.8903 4.8909 4.8909 11.9681 11.9681 11.9769 11.9769 12.1216 12.1216 12.1223 12.1223 13.3782 13.3782 k = 0.1642 0.2654 0.5378 ( 4336 PWs) bands (ev): -13.3044 -13.3044 -13.3043 -13.3043 -9.9710 -9.9710 -9.9696 -9.9696 -9.5178 -9.5178 -9.5159 -9.5159 -3.3451 -3.3451 -3.3446 -3.3446 -0.5782 -0.5782 -0.5736 -0.5736 -0.2319 -0.2319 -0.2318 -0.2318 0.6463 0.6463 0.6575 0.6575 1.6520 1.6520 1.6577 1.6577 2.4462 2.4462 2.4534 2.4534 3.4188 3.4188 3.4243 3.4243 3.9784 3.9784 3.9785 3.9785 4.9214 4.9214 4.9218 4.9218 11.9117 11.9117 11.9201 11.9201 12.1063 12.1063 12.1071 12.1071 13.3502 13.3502 k = 0.1556 0.2514 0.5378 ( 4348 PWs) bands (ev): -13.3085 -13.3085 -13.3084 -13.3084 -9.9928 -9.9928 -9.9915 -9.9915 -9.4742 -9.4742 -9.4723 -9.4723 -3.4081 -3.4081 -3.4075 -3.4075 -0.5285 -0.5285 -0.5237 -0.5237 -0.2652 -0.2652 -0.2652 -0.2652 0.6479 0.6479 0.6591 0.6591 1.6682 1.6682 1.6735 1.6735 2.4666 2.4666 2.4740 2.4740 3.4212 3.4212 3.4271 3.4271 3.9744 3.9744 3.9744 3.9744 4.9513 4.9513 4.9515 4.9515 11.8561 11.8561 11.8640 11.8640 12.0935 12.0935 12.0943 12.0943 13.3128 13.3128 k = 0.1470 0.2374 0.5378 ( 4348 PWs) bands (ev): -13.3126 -13.3126 -13.3124 -13.3124 -10.0135 -10.0135 -10.0122 -10.0122 -9.4312 -9.4312 -9.4293 -9.4293 -3.4699 -3.4699 -3.4693 -3.4693 -0.4825 -0.4825 -0.4775 -0.4775 -0.2972 -0.2972 -0.2971 -0.2971 0.6506 0.6506 0.6617 0.6617 1.6842 1.6842 1.6892 1.6892 2.4870 2.4870 2.4944 2.4944 3.4248 3.4248 3.4308 3.4308 3.9710 3.9710 3.9711 3.9711 4.9800 4.9800 4.9801 4.9801 11.8016 11.8016 11.8090 11.8090 12.0831 12.0831 12.0840 12.0840 13.2686 13.2686 k = 0.1383 0.2235 0.5378 ( 4352 PWs) bands (ev): -13.3164 -13.3164 -13.3163 -13.3163 -10.0330 -10.0330 -10.0318 -10.0318 -9.3891 -9.3891 -9.3873 -9.3873 -3.5304 -3.5304 -3.5297 -3.5297 -0.4402 -0.4402 -0.4350 -0.4350 -0.3277 -0.3277 -0.3276 -0.3276 0.6542 0.6542 0.6653 0.6653 1.7000 1.7000 1.7047 1.7047 2.5070 2.5070 2.5144 2.5144 3.4296 3.4296 3.4357 3.4357 3.9683 3.9683 3.9684 3.9684 5.0074 5.0074 5.0075 5.0075 11.7485 11.7485 11.7555 11.7555 12.0751 12.0751 12.0760 12.0760 13.2202 13.2202 k = 0.1297 0.2095 0.5378 ( 4360 PWs) bands (ev): -13.3202 -13.3202 -13.3201 -13.3201 -10.0515 -10.0515 -10.0504 -10.0504 -9.3480 -9.3480 -9.3462 -9.3462 -3.5893 -3.5893 -3.5886 -3.5886 -0.4016 -0.4016 -0.3963 -0.3963 -0.3566 -0.3566 -0.3563 -0.3563 0.6589 0.6589 0.6697 0.6697 1.7154 1.7154 1.7198 1.7198 2.5263 2.5263 2.5337 2.5337 3.4356 3.4356 3.4419 3.4419 3.9661 3.9661 3.9662 3.9662 5.0333 5.0333 5.0335 5.0335 11.6972 11.6972 11.7037 11.7037 12.0695 12.0695 12.0704 12.0704 13.1696 13.1696 k = 0.1210 0.1955 0.5378 ( 4360 PWs) bands (ev): -13.3238 -13.3238 -13.3237 -13.3237 -10.0688 -10.0688 -10.0677 -10.0677 -9.3082 -9.3082 -9.3064 -9.3064 -3.6462 -3.6462 -3.6455 -3.6455 -0.3848 -0.3848 -0.3842 -0.3842 -0.3655 -0.3655 -0.3610 -0.3610 0.6644 0.6644 0.6749 0.6749 1.7304 1.7304 1.7344 1.7344 2.5447 2.5447 2.5519 2.5519 3.4428 3.4428 3.4492 3.4492 3.9644 3.9644 3.9646 3.9646 5.0579 5.0579 5.0582 5.0582 11.6480 11.6480 11.6540 11.6540 12.0660 12.0660 12.0670 12.0670 13.1186 13.1186 k = 0.1124 0.1816 0.5378 ( 4360 PWs) bands (ev): -13.3272 -13.3272 -13.3271 -13.3271 -10.0849 -10.0849 -10.0840 -10.0840 -9.2698 -9.2698 -9.2681 -9.2681 -3.7009 -3.7009 -3.7002 -3.7002 -0.4099 -0.4099 -0.4098 -0.4098 -0.3345 -0.3345 -0.3296 -0.3296 0.6707 0.6707 0.6809 0.6809 1.7448 1.7448 1.7486 1.7486 2.5618 2.5618 2.5689 2.5689 3.4514 3.4514 3.4576 3.4576 3.9632 3.9632 3.9634 3.9634 5.0809 5.0809 5.0813 5.0813 11.6010 11.6010 11.6067 11.6067 12.0645 12.0645 12.0654 12.0654 13.0685 13.0685 k = 0.1037 0.1676 0.5378 ( 4356 PWs) bands (ev): -13.3304 -13.3304 -13.3303 -13.3303 -10.0999 -10.0999 -10.0990 -10.0990 -9.2330 -9.2330 -9.2315 -9.2315 -3.7531 -3.7531 -3.7524 -3.7524 -0.4338 -0.4338 -0.4337 -0.4337 -0.3064 -0.3064 -0.3016 -0.3016 0.6777 0.6777 0.6874 0.6874 1.7586 1.7586 1.7620 1.7620 2.5776 2.5776 2.5844 2.5844 3.4610 3.4610 3.4672 3.4672 3.9623 3.9623 3.9625 3.9625 5.1024 5.1024 5.1028 5.1028 11.5566 11.5566 11.5618 11.5618 12.0646 12.0646 12.0656 12.0656 13.0205 13.0205 k = 0.0951 0.1536 0.5378 ( 4344 PWs) bands (ev): -13.3334 -13.3334 -13.3333 -13.3333 -10.1137 -10.1137 -10.1129 -10.1129 -9.1981 -9.1981 -9.1967 -9.1967 -3.8025 -3.8025 -3.8018 -3.8018 -0.4560 -0.4560 -0.4559 -0.4559 -0.2815 -0.2815 -0.2768 -0.2768 0.6851 0.6851 0.6943 0.6943 1.7716 1.7716 1.7748 1.7748 2.5918 2.5918 2.5983 2.5983 3.4717 3.4717 3.4776 3.4776 3.9617 3.9617 3.9619 3.9619 5.1223 5.1223 5.1228 5.1228 11.5150 11.5150 11.5198 11.5198 12.0662 12.0662 12.0671 12.0671 12.9755 12.9755 k = 0.0864 0.1397 0.5378 ( 4344 PWs) bands (ev): -13.3362 -13.3362 -13.3361 -13.3361 -10.1264 -10.1264 -10.1256 -10.1256 -9.1654 -9.1654 -9.1640 -9.1640 -3.8488 -3.8488 -3.8481 -3.8481 -0.4763 -0.4763 -0.4762 -0.4762 -0.2596 -0.2596 -0.2552 -0.2552 0.6928 0.6928 0.7014 0.7014 1.7838 1.7838 1.7867 1.7867 2.6044 2.6044 2.6105 2.6105 3.4830 3.4830 3.4887 3.4887 3.9614 3.9614 3.9616 3.9616 5.1405 5.1405 5.1411 5.1411 11.4763 11.4763 11.4807 11.4807 12.0687 12.0687 12.0697 12.0697 12.9340 12.9340 k = 0.0778 0.1257 0.5378 ( 4344 PWs) bands (ev): -13.3388 -13.3388 -13.3387 -13.3387 -10.1378 -10.1378 -10.1371 -10.1371 -9.1349 -9.1349 -9.1336 -9.1336 -3.8917 -3.8917 -3.8910 -3.8910 -0.4948 -0.4948 -0.4947 -0.4947 -0.2405 -0.2405 -0.2364 -0.2364 0.7007 0.7007 0.7086 0.7086 1.7951 1.7951 1.7977 1.7977 2.6155 2.6155 2.6211 2.6211 3.4949 3.4949 3.5002 3.5002 3.9613 3.9613 3.9615 3.9615 5.1571 5.1571 5.1577 5.1577 11.4408 11.4408 11.4447 11.4447 12.0720 12.0720 12.0729 12.0729 12.8968 12.8968 k = 0.0692 0.1117 0.5378 ( 4344 PWs) bands (ev): -13.3411 -13.3411 -13.3411 -13.3411 -10.1480 -10.1480 -10.1474 -10.1474 -9.1069 -9.1069 -9.1058 -9.1058 -3.9309 -3.9309 -3.9303 -3.9303 -0.5115 -0.5115 -0.5114 -0.5114 -0.2241 -0.2241 -0.2203 -0.2203 0.7084 0.7084 0.7156 0.7156 1.8055 1.8055 1.8077 1.8077 2.6250 2.6250 2.6301 2.6301 3.5068 3.5068 3.5118 3.5118 3.9613 3.9613 3.9615 3.9615 5.1720 5.1720 5.1726 5.1726 11.4086 11.4086 11.4121 11.4121 12.0756 12.0756 12.0765 12.0765 12.8641 12.8641 k = 0.0605 0.0978 0.5378 ( 4348 PWs) bands (ev): -13.3432 -13.3432 -13.3432 -13.3432 -10.1571 -10.1571 -10.1565 -10.1565 -9.0817 -9.0817 -9.0807 -9.0807 -3.9662 -3.9662 -3.9657 -3.9657 -0.5262 -0.5262 -0.5261 -0.5261 -0.2101 -0.2101 -0.2067 -0.2067 0.7159 0.7159 0.7223 0.7223 1.8147 1.8147 1.8167 1.8167 2.6330 2.6330 2.6376 2.6376 3.5185 3.5185 3.5230 3.5230 3.9615 3.9615 3.9616 3.9616 5.1852 5.1852 5.1857 5.1857 11.3799 11.3799 11.3830 11.3830 12.0792 12.0792 12.0800 12.0800 12.8361 12.8361 k = 0.0519 0.0838 0.5378 ( 4354 PWs) bands (ev): -13.3450 -13.3450 -13.3450 -13.3450 -10.1649 -10.1649 -10.1644 -10.1644 -9.0593 -9.0593 -9.0585 -9.0585 -3.9973 -3.9973 -3.9968 -3.9968 -0.5390 -0.5390 -0.5389 -0.5389 -0.1984 -0.1984 -0.1955 -0.1955 0.7229 0.7229 0.7284 0.7284 1.8229 1.8229 1.8246 1.8246 2.6396 2.6396 2.6436 2.6436 3.5297 3.5297 3.5336 3.5336 3.9617 3.9617 3.9618 3.9618 5.1966 5.1966 5.1971 5.1971 11.3548 11.3548 11.3574 11.3574 12.0825 12.0825 12.0832 12.0832 12.8128 12.8128 k = 0.0432 0.0698 0.5378 ( 4354 PWs) bands (ev): -13.3466 -13.3466 -13.3466 -13.3466 -10.1715 -10.1715 -10.1711 -10.1711 -9.0401 -9.0401 -9.0394 -9.0394 -4.0241 -4.0241 -4.0237 -4.0237 -0.5498 -0.5498 -0.5497 -0.5497 -0.1888 -0.1888 -0.1863 -0.1863 0.7292 0.7292 0.7338 0.7338 1.8300 1.8300 1.8314 1.8314 2.6450 2.6450 2.6484 2.6484 3.5399 3.5399 3.5432 3.5432 3.9619 3.9619 3.9621 3.9621 5.2063 5.2063 5.2068 5.2068 11.3334 11.3334 11.3356 11.3356 12.0853 12.0853 12.0859 12.0859 12.7942 12.7942 k = 0.0346 0.0559 0.5378 ( 4354 PWs) bands (ev): -13.3479 -13.3479 -13.3479 -13.3479 -10.1769 -10.1769 -10.1766 -10.1766 -9.0241 -9.0241 -9.0235 -9.0235 -4.0462 -4.0462 -4.0459 -4.0459 -0.5587 -0.5587 -0.5586 -0.5586 -0.1810 -0.1810 -0.1790 -0.1790 0.7346 0.7346 0.7384 0.7384 1.8358 1.8358 1.8369 1.8369 2.6492 2.6492 2.6520 2.6520 3.5488 3.5488 3.5515 3.5515 3.9622 3.9622 3.9623 3.9623 5.2143 5.2143 5.2147 5.2147 11.3158 11.3158 11.3175 11.3175 12.0876 12.0876 12.0881 12.0881 12.7798 12.7798 k = 0.0259 0.0419 0.5378 ( 4350 PWs) bands (ev): -13.3489 -13.3489 -13.3489 -13.3489 -10.1811 -10.1811 -10.1809 -10.1809 -9.0115 -9.0115 -9.0111 -9.0111 -4.0637 -4.0637 -4.0634 -4.0634 -0.5656 -0.5656 -0.5656 -0.5656 -0.1751 -0.1751 -0.1736 -0.1736 0.7391 0.7391 0.7420 0.7420 1.8404 1.8404 1.8413 1.8413 2.6525 2.6525 2.6546 2.6546 3.5561 3.5561 3.5582 3.5582 3.9624 3.9624 3.9625 3.9625 5.2205 5.2205 5.2208 5.2208 11.3020 11.3020 11.3033 11.3033 12.0893 12.0893 12.0896 12.0896 12.7693 12.7693 k = 0.0173 0.0279 0.5378 ( 4364 PWs) bands (ev): -13.3496 -13.3496 -13.3496 -13.3496 -10.1841 -10.1841 -10.1840 -10.1840 -9.0024 -9.0024 -9.0021 -9.0021 -4.0762 -4.0762 -4.0760 -4.0760 -0.5706 -0.5706 -0.5706 -0.5706 -0.1709 -0.1709 -0.1699 -0.1699 0.7426 0.7426 0.7445 0.7445 1.8438 1.8438 1.8443 1.8443 2.6548 2.6548 2.6562 2.6562 3.5616 3.5616 3.5630 3.5630 3.9626 3.9626 3.9626 3.9626 5.2249 5.2249 5.2251 5.2251 11.2922 11.2922 11.2931 11.2931 12.0904 12.0904 12.0907 12.0907 12.7623 12.7624 k = 0.0086 0.0140 0.5378 ( 4368 PWs) bands (ev): -13.3501 -13.3501 -13.3500 -13.3500 -10.1859 -10.1859 -10.1858 -10.1858 -8.9969 -8.9969 -8.9967 -8.9967 -4.0837 -4.0837 -4.0836 -4.0836 -0.5736 -0.5736 -0.5735 -0.5735 -0.1683 -0.1683 -0.1678 -0.1678 0.7449 0.7449 0.7458 0.7458 1.8458 1.8458 1.8461 1.8461 2.6564 2.6564 2.6571 2.6571 3.5651 3.5651 3.5658 3.5658 3.9627 3.9627 3.9627 3.9627 5.2276 5.2276 5.2277 5.2277 11.2864 11.2864 11.2869 11.2869 12.0911 12.0911 12.0912 12.0912 12.7582 12.7583 k = 0.0000 0.0000 0.5378 ( 4372 PWs) bands (ev): -13.3502 -13.3502 -13.3502 -13.3502 -10.1865 -10.1865 -10.1865 -10.1865 -8.9950 -8.9950 -8.9950 -8.9950 -4.0862 -4.0862 -4.0862 -4.0862 -0.5745 -0.5745 -0.5745 -0.5745 -0.1673 -0.1673 -0.1673 -0.1673 0.7459 0.7459 0.7459 0.7459 1.8466 1.8466 1.8466 1.8466 2.6571 2.6571 2.6571 2.6571 3.5665 3.5665 3.5665 3.5665 3.9627 3.9627 3.9627 3.9627 5.2285 5.2285 5.2285 5.2285 11.2846 11.2846 11.2846 11.2846 12.0913 12.0913 12.0913 12.0913 12.7569 12.7569 k = 0.0000 0.0000 0.5378 ( 4372 PWs) bands (ev): -13.3502 -13.3502 -13.3502 -13.3502 -10.1865 -10.1865 -10.1865 -10.1865 -8.9950 -8.9950 -8.9950 -8.9950 -4.0862 -4.0862 -4.0862 -4.0862 -0.5745 -0.5745 -0.5745 -0.5745 -0.1673 -0.1673 -0.1673 -0.1673 0.7459 0.7459 0.7459 0.7459 1.8466 1.8466 1.8466 1.8466 2.6571 2.6571 2.6571 2.6571 3.5665 3.5665 3.5665 3.5665 3.9627 3.9627 3.9627 3.9627 5.2285 5.2285 5.2285 5.2285 11.2846 11.2846 11.2846 11.2846 12.0913 12.0913 12.0913 12.0913 12.7569 12.7569 k = 0.0000 0.0000 0.5215 ( 4364 PWs) bands (ev): -13.3639 -13.3639 -13.3366 -13.3366 -10.2269 -10.2269 -10.1450 -10.1450 -8.9956 -8.9956 -8.9950 -8.9950 -4.0910 -4.0910 -4.0787 -4.0787 -0.5979 -0.5979 -0.5508 -0.5508 -0.2634 -0.2634 -0.0820 -0.0820 0.7432 0.7432 0.7596 0.7596 1.8248 1.8248 1.8637 1.8637 2.6563 2.6563 2.6597 2.6597 3.5569 3.5569 3.5759 3.5759 3.9370 3.9370 3.9874 3.9874 5.2075 5.2075 5.2484 5.2484 11.2878 11.2878 11.2914 11.2914 12.0860 12.0860 12.0954 12.0954 12.7269 12.7269 k = 0.0000 0.0000 0.5052 ( 4370 PWs) bands (ev): -13.3778 -13.3778 -13.3232 -13.3232 -10.2662 -10.2662 -10.1024 -10.1024 -8.9967 -8.9967 -8.9955 -8.9955 -4.0932 -4.0932 -4.0685 -4.0685 -0.6208 -0.6208 -0.5268 -0.5268 -0.3676 -0.3676 -0.0104 -0.0104 0.7488 0.7488 0.7867 0.7867 1.7984 1.7984 1.8760 1.8760 2.6572 2.6572 2.6643 2.6643 3.5470 3.5470 3.5850 3.5850 3.9103 3.9103 4.0108 4.0108 5.1852 5.1852 5.2669 5.2669 11.3010 11.3010 11.3082 11.3082 12.0802 12.0802 12.0968 12.0968 12.6953 12.6953 k = 0.0000 0.0000 0.4889 ( 4366 PWs) bands (ev): -13.3917 -13.3917 -13.3100 -13.3100 -10.3043 -10.3043 -10.0588 -10.0588 -8.9983 -8.9983 -8.9965 -8.9965 -4.0928 -4.0928 -4.0557 -4.0557 -0.6432 -0.6432 -0.5030 -0.5030 -0.4774 -0.4774 0.0456 0.0456 0.7609 0.7609 0.8288 0.8288 1.7676 1.7676 1.8833 1.8833 2.6596 2.6596 2.6710 2.6710 3.5369 3.5369 3.5938 3.5938 3.8828 3.8828 4.0329 4.0329 5.1618 5.1618 5.2841 5.2841 11.3240 11.3240 11.3347 11.3347 12.0746 12.0746 12.0940 12.0940 12.6646 12.6646 k = 0.0000 0.0000 0.4726 ( 4354 PWs) bands (ev): -13.4057 -13.4057 -13.2971 -13.2971 -10.3412 -10.3412 -10.0144 -10.0144 -9.0004 -9.0004 -8.9980 -8.9980 -4.0899 -4.0899 -4.0402 -4.0402 -0.6650 -0.6650 -0.5918 -0.5918 -0.4782 -0.4782 0.0855 0.0855 0.7778 0.7778 0.8860 0.8860 1.7325 1.7325 1.8855 1.8855 2.6632 2.6632 2.6803 2.6803 3.5266 3.5266 3.6022 3.6022 3.8549 3.8549 4.0537 4.0537 5.1373 5.1373 5.3000 5.3000 11.3567 11.3567 11.3710 11.3710 12.0696 12.0696 12.0847 12.0847 12.6380 12.6380 k = 0.0000 0.0000 0.4563 ( 4348 PWs) bands (ev): -13.4197 -13.4197 -13.2844 -13.2844 -10.3768 -10.3768 -9.9690 -9.9690 -9.0031 -9.0031 -9.0001 -9.0001 -4.0845 -4.0845 -4.0222 -4.0222 -0.7083 -0.7083 -0.6861 -0.6861 -0.4540 -0.4540 0.1108 0.1108 0.7984 0.7984 0.9563 0.9563 1.6933 1.6933 1.8827 1.8827 2.6680 2.6680 2.6922 2.6922 3.5162 3.5162 3.6103 3.6103 3.8267 3.8267 4.0732 4.0732 5.1119 5.1119 5.3146 5.3146 11.3988 11.3988 11.4166 11.4166 12.0653 12.0653 12.0670 12.0670 12.6182 12.6182 k = 0.0000 0.0000 0.4400 ( 4348 PWs) bands (ev): -13.4337 -13.4337 -13.2720 -13.2720 -10.4112 -10.4112 -9.9229 -9.9229 -9.0062 -9.0062 -9.0026 -9.0026 -4.0768 -4.0768 -4.0015 -4.0015 -0.8263 -0.8263 -0.7065 -0.7065 -0.4297 -0.4297 0.1242 0.1242 0.8218 0.8218 1.0365 1.0365 1.6502 1.6502 1.8748 1.8748 2.6738 2.6738 2.7070 2.7070 3.5056 3.5056 3.6180 3.6180 3.7986 3.7986 4.0915 4.0915 5.0856 5.0856 5.3278 5.3278 11.4500 11.4500 11.4714 11.4714 12.0392 12.0392 12.0620 12.0620 12.6076 12.6076 k = 0.0000 0.0000 0.4237 ( 4340 PWs) bands (ev): -13.4476 -13.4476 -13.2599 -13.2599 -10.4443 -10.4443 -9.8762 -9.8762 -9.0097 -9.0097 -9.0055 -9.0055 -4.0668 -4.0668 -3.9785 -3.9785 -0.9449 -0.9449 -0.7260 -0.7260 -0.4056 -0.4056 0.1286 0.1286 0.8475 0.8475 1.1233 1.1233 1.6036 1.6036 1.8618 1.8618 2.6804 2.6804 2.7251 2.7251 3.4949 3.4949 3.6254 3.6254 3.7708 3.7708 4.1086 4.1086 5.0585 5.0585 5.3398 5.3398 11.5100 11.5100 11.5349 11.5349 12.0011 12.0011 12.0594 12.0594 12.6071 12.6071 k = 0.0000 0.0000 0.4074 ( 4344 PWs) bands (ev): -13.4614 -13.4614 -13.2482 -13.2482 -10.4762 -10.4762 -9.8289 -9.8289 -9.0137 -9.0137 -9.0089 -9.0089 -4.0546 -4.0546 -3.9530 -3.9530 -1.0636 -1.0636 -0.7445 -0.7445 -0.3818 -0.3818 0.1265 0.1265 0.8748 0.8748 1.2137 1.2137 1.5535 1.5535 1.8438 1.8438 2.6877 2.6877 2.7467 2.7467 3.4842 3.4842 3.6323 3.6323 3.7436 3.7436 4.1246 4.1246 5.0308 5.0308 5.3505 5.3505 11.5782 11.5782 11.6069 11.6069 11.9535 11.9535 12.0575 12.0575 12.6166 12.6166 k = 0.0000 0.0000 0.3911 ( 4350 PWs) bands (ev): -13.4751 -13.4751 -13.2368 -13.2368 -10.5067 -10.5067 -9.7811 -9.7811 -9.0180 -9.0180 -9.0127 -9.0127 -4.0405 -4.0405 -3.9253 -3.9253 -1.1816 -1.1816 -0.7621 -0.7621 -0.3582 -0.3582 0.1199 0.1199 0.9035 0.9035 1.3051 1.3051 1.5003 1.5003 1.8209 1.8209 2.6955 2.6955 2.7722 2.7722 3.4734 3.4734 3.6389 3.6389 3.7174 3.7174 4.1397 4.1397 5.0025 5.0025 5.3600 5.3600 11.6543 11.6543 11.6868 11.6868 11.8980 11.8980 12.0562 12.0562 12.6348 12.6348 k = 0.0000 0.0000 0.3748 ( 4348 PWs) bands (ev): -13.4886 -13.4886 -13.2258 -13.2258 -10.5359 -10.5359 -9.7330 -9.7330 -9.0226 -9.0226 -9.0167 -9.0167 -4.0245 -4.0245 -3.8954 -3.8954 -1.2985 -1.2985 -0.7785 -0.7785 -0.3351 -0.3351 0.1101 0.1101 0.9332 0.9332 1.3954 1.3954 1.4443 1.4443 1.7932 1.7932 2.7037 2.7037 2.8018 2.8018 3.4627 3.4627 3.6449 3.6449 3.6925 3.6925 4.1540 4.1540 4.9739 4.9739 5.3683 5.3683 11.7374 11.7374 11.7743 11.7743 11.8364 11.8364 12.0553 12.0553 12.6605 12.6605 k = 0.0000 0.0000 0.3585 ( 4340 PWs) bands (ev): -13.5019 -13.5019 -13.2152 -13.2152 -10.5638 -10.5638 -9.6847 -9.6847 -9.0275 -9.0275 -9.0211 -9.0211 -4.0068 -4.0068 -3.8636 -3.8636 -1.4140 -1.4140 -0.7939 -0.7939 -0.3123 -0.3123 0.0982 0.0982 0.9638 0.9638 1.3857 1.3857 1.4833 1.4833 1.7611 1.7611 2.7120 2.7120 2.8359 2.8359 3.4520 3.4520 3.6496 3.6496 3.6699 3.6699 4.1675 4.1675 4.9450 4.9450 5.3756 5.3756 11.7701 11.7701 11.8270 11.8270 11.8688 11.8688 12.0546 12.0546 12.6922 12.6922 k = 0.0000 0.0000 0.3422 ( 4336 PWs) bands (ev): -13.5149 -13.5149 -13.2050 -13.2050 -10.5904 -10.5904 -9.6363 -9.6363 -9.0326 -9.0326 -9.0257 -9.0257 -3.9875 -3.9875 -3.8299 -3.8299 -1.5275 -1.5275 -0.8080 -0.8080 -0.2902 -0.2902 0.0850 0.0850 0.9950 0.9950 1.3250 1.3250 1.5673 1.5673 1.7248 1.7248 2.7205 2.7205 2.8746 2.8746 3.4414 3.4414 3.6427 3.6427 3.6601 3.6601 4.1803 4.1803 4.9160 4.9160 5.3820 5.3820 11.7008 11.7008 11.9221 11.9221 11.9699 11.9699 12.0537 12.0537 12.7287 12.7287 k = 0.0000 0.0000 0.3259 ( 4330 PWs) bands (ev): -13.5276 -13.5276 -13.1952 -13.1952 -10.6157 -10.6157 -9.5880 -9.5880 -9.0380 -9.0380 -9.0306 -9.0306 -3.9670 -3.9670 -3.7945 -3.7945 -1.6388 -1.6388 -0.8208 -0.8208 -0.2686 -0.2686 0.0709 0.0709 1.0265 1.0265 1.2625 1.2625 1.6464 1.6464 1.6846 1.6846 2.7289 2.7289 2.9180 2.9180 3.4309 3.4309 3.6235 3.6235 3.6639 3.6639 4.1926 4.1926 4.8871 4.8871 5.3874 5.3874 11.6293 11.6293 12.0215 12.0215 12.0524 12.0524 12.0771 12.0771 12.7587 12.7587 k = 0.0000 0.0000 0.3096 ( 4334 PWs) bands (ev): -13.5400 -13.5400 -13.1858 -13.1858 -10.6396 -10.6396 -9.5401 -9.5401 -9.0434 -9.0434 -9.0355 -9.0355 -3.9453 -3.9453 -3.7578 -3.7578 -1.7474 -1.7474 -0.8324 -0.8324 -0.2477 -0.2477 0.0565 0.0565 1.0583 1.0583 1.1986 1.1986 1.6410 1.6410 1.7202 1.7202 2.7370 2.7370 2.9659 2.9659 3.4206 3.4206 3.6046 3.6046 3.6687 3.6687 4.2045 4.2045 4.8583 4.8583 5.3921 5.3921 11.5566 11.5566 12.0505 12.0505 12.1236 12.1236 12.1896 12.1896 12.7521 12.7521 k = 0.0000 0.0000 0.2933 ( 4338 PWs) bands (ev): -13.5520 -13.5520 -13.1769 -13.1769 -10.6623 -10.6623 -9.4925 -9.4925 -9.0490 -9.0490 -9.0406 -9.0406 -3.9227 -3.9227 -3.7197 -3.7197 -1.8532 -1.8532 -0.8426 -0.8426 -0.2275 -0.2275 0.0419 0.0419 1.0901 1.0901 1.1337 1.1337 1.5944 1.5944 1.7879 1.7879 2.7447 2.7447 3.0182 3.0182 3.4106 3.4106 3.5871 3.5871 3.6735 3.6735 4.2159 4.2159 4.8299 4.8299 5.3961 5.3961 11.4835 11.4835 12.0479 12.0479 12.2256 12.2256 12.3071 12.3071 12.7472 12.7472 k = 0.0000 0.0000 0.2770 ( 4346 PWs) bands (ev): -13.5635 -13.5635 -13.1684 -13.1684 -10.6837 -10.6837 -9.4456 -9.4456 -9.0545 -9.0545 -9.0457 -9.0457 -3.8995 -3.8995 -3.6808 -3.6808 -1.9556 -1.9556 -0.8514 -0.8514 -0.2082 -0.2082 0.0274 0.0274 1.0679 1.0679 1.1221 1.1221 1.5454 1.5454 1.8496 1.8496 2.7520 2.7520 3.0742 3.0742 3.4009 3.4009 3.5713 3.5713 3.6782 3.6782 4.2270 4.2270 4.8019 4.8019 5.3994 5.3994 11.4104 11.4104 12.0443 12.0443 12.3228 12.3228 12.4290 12.4290 12.7450 12.7450 k = 0.0000 0.0000 0.2607 ( 4350 PWs) bands (ev): -13.5747 -13.5747 -13.1604 -13.1604 -10.7038 -10.7038 -9.3996 -9.3996 -9.0601 -9.0601 -9.0509 -9.0509 -3.8758 -3.8758 -3.6410 -3.6410 -2.0546 -2.0546 -0.8588 -0.8588 -0.1897 -0.1897 0.0132 0.0132 1.0022 1.0022 1.1536 1.1536 1.4945 1.4945 1.9053 1.9053 2.7586 2.7586 3.1332 3.1332 3.3918 3.3918 3.5569 3.5569 3.6828 3.6828 4.2378 4.2378 4.7746 4.7746 5.4024 5.4024 11.3381 11.3381 12.0398 12.0398 12.4064 12.4064 12.5547 12.5547 12.7460 12.7460 k = 0.0000 0.0000 0.2444 ( 4344 PWs) bands (ev): -13.5853 -13.5853 -13.1528 -13.1528 -10.7226 -10.7226 -9.3546 -9.3546 -9.0656 -9.0656 -9.0560 -9.0560 -3.8518 -3.8518 -3.6009 -3.6009 -2.1496 -2.1496 -0.8649 -0.8649 -0.1721 -0.1721 -0.0006 -0.0006 0.9368 0.9368 1.1847 1.1847 1.4422 1.4422 1.9552 1.9552 2.7645 2.7645 3.1941 3.1941 3.3834 3.3834 3.5441 3.5441 3.6872 3.6872 4.2482 4.2482 4.7480 4.7480 5.4050 5.4050 11.2669 11.2669 12.0342 12.0342 12.4620 12.4620 12.6836 12.6836 12.7502 12.7502 k = 0.0000 0.0000 0.2281 ( 4338 PWs) bands (ev): -13.5954 -13.5954 -13.1458 -13.1458 -10.7401 -10.7401 -9.3110 -9.3110 -9.0710 -9.0710 -9.0610 -9.0610 -3.8279 -3.8279 -3.5606 -3.5606 -2.2404 -2.2404 -0.8695 -0.8695 -0.1555 -0.1555 -0.0139 -0.0139 0.8721 0.8721 1.2151 1.2151 1.3892 1.3892 1.9996 1.9996 2.7697 2.7697 3.2550 3.2550 3.3768 3.3768 3.5327 3.5327 3.6916 3.6916 4.2583 4.2583 4.7224 4.7224 5.4073 5.4073 11.1974 11.1974 12.0277 12.0277 12.4774 12.4774 12.7573 12.7573 12.8151 12.8151 k = 0.0000 0.0000 0.2118 ( 4334 PWs) bands (ev): -13.6050 -13.6050 -13.1391 -13.1391 -10.7564 -10.7564 -9.2688 -9.2688 -9.0763 -9.0763 -9.0659 -9.0659 -3.8042 -3.8042 -3.5206 -3.5206 -2.3268 -2.3268 -0.8729 -0.8729 -0.1399 -0.1399 -0.0265 -0.0265 0.8087 0.8087 1.2448 1.2448 1.3360 1.3360 2.0391 2.0391 2.7740 2.7740 3.3102 3.3102 3.3768 3.3768 3.5226 3.5226 3.6959 3.6959 4.2680 4.2680 4.6978 4.6978 5.4094 5.4094 11.1301 11.1301 12.0205 12.0205 12.4572 12.4572 12.7674 12.7674 12.9484 12.9484 k = 0.0000 0.0000 0.1956 ( 4350 PWs) bands (ev): -13.6140 -13.6140 -13.1330 -13.1330 -10.7714 -10.7714 -9.2284 -9.2284 -9.0813 -9.0813 -9.0706 -9.0706 -3.7810 -3.7810 -3.4811 -3.4811 -2.4083 -2.4083 -0.8750 -0.8750 -0.1255 -0.1255 -0.0384 -0.0384 0.7471 0.7471 1.2734 1.2734 1.2833 1.2833 2.0740 2.0740 2.7774 2.7774 3.3372 3.3372 3.4048 3.4048 3.5138 3.5138 3.7001 3.7001 4.2774 4.2774 4.6744 4.6744 5.4115 5.4115 11.0652 11.0652 12.0127 12.0127 12.4171 12.4171 12.7800 12.7800 13.0830 13.0830 k = 0.0000 0.0000 0.1793 ( 4338 PWs) bands (ev): -13.6224 -13.6224 -13.1274 -13.1274 -10.7852 -10.7852 -9.1901 -9.1901 -9.0861 -9.0861 -9.0751 -9.0751 -3.7586 -3.7586 -3.4426 -3.4426 -2.4847 -2.4847 -0.8759 -0.8759 -0.1121 -0.1121 -0.0495 -0.0495 0.6878 0.6878 1.2315 1.2315 1.3011 1.3011 2.1048 2.1048 2.7800 2.7800 3.3375 3.3375 3.4580 3.4580 3.5066 3.5066 3.7042 3.7042 4.2863 4.2863 4.6524 4.6524 5.4135 5.4135 11.0034 11.0034 12.0045 12.0045 12.3686 12.3686 12.7949 12.7949 13.2131 13.2131 k = 0.0000 0.0000 0.1630 ( 4326 PWs) bands (ev): -13.6301 -13.6301 -13.1222 -13.1222 -10.7977 -10.7977 -9.1540 -9.1540 -9.0906 -9.0906 -9.0793 -9.0793 -3.7372 -3.7372 -3.4054 -3.4054 -2.5557 -2.5557 -0.8757 -0.8757 -0.0999 -0.0999 -0.0598 -0.0598 0.6314 0.6314 1.1815 1.1815 1.3273 1.3273 2.1319 2.1319 2.7818 2.7818 3.3326 3.3326 3.4963 3.4963 3.5186 3.5186 3.7084 3.7084 4.2947 4.2947 4.6317 4.6317 5.4156 5.4156 10.9450 10.9450 11.9962 11.9962 12.3182 12.3182 12.8117 12.8117 13.2610 13.2610 k = 0.0000 0.0000 0.1467 ( 4326 PWs) bands (ev): -13.6372 -13.6372 -13.1175 -13.1175 -10.8091 -10.8091 -9.1205 -9.1205 -9.0947 -9.0947 -9.0832 -9.0832 -3.7171 -3.7171 -3.3700 -3.3700 -2.6211 -2.6211 -0.8747 -0.8747 -0.0890 -0.0890 -0.0691 -0.0691 0.5783 0.5783 1.1338 1.1338 1.3519 1.3519 2.1556 2.1556 2.7828 2.7828 3.3268 3.3268 3.4923 3.4923 3.5719 3.5719 3.7124 3.7124 4.3026 4.3026 4.6126 4.6126 5.4177 5.4177 10.8905 10.8905 11.9880 11.9880 12.2690 12.2690 12.8297 12.8297 13.3054 13.3054 k = 0.0000 0.0000 0.1304 ( 4326 PWs) bands (ev): -13.6436 -13.6436 -13.1133 -13.1133 -10.8192 -10.8192 -9.0991 -9.0991 -9.0896 -9.0896 -9.0864 -9.0864 -3.6983 -3.6983 -3.3367 -3.3367 -2.6804 -2.6804 -0.8729 -0.8729 -0.0804 -0.0804 -0.0765 -0.0765 0.5291 0.5291 1.0890 1.0890 1.3747 1.3747 2.1763 2.1763 2.7832 2.7832 3.3211 3.3211 3.4876 3.4876 3.6231 3.6231 3.7164 3.7164 4.3099 4.3099 4.5952 4.5952 5.4198 5.4198 10.8403 10.8403 11.9801 11.9801 12.2229 12.2229 12.8486 12.8486 13.3464 13.3464 k = 0.0000 0.0000 0.1141 ( 4330 PWs) bands (ev): -13.6493 -13.6493 -13.1096 -13.1096 -10.8281 -10.8281 -9.1023 -9.1023 -9.0902 -9.0902 -9.0614 -9.0614 -3.6812 -3.6812 -3.3061 -3.3061 -2.7334 -2.7334 -0.8706 -0.8706 -0.0857 -0.0857 -0.0704 -0.0704 0.4844 0.4844 1.0477 1.0477 1.3955 1.3955 2.1941 2.1941 2.7830 2.7830 3.3158 3.3158 3.4835 3.4835 3.6697 3.6697 3.7205 3.7205 4.3166 4.3166 4.5796 4.5796 5.4220 5.4220 10.7948 10.7948 11.9727 11.9727 12.1808 12.1808 12.8677 12.8677 13.3834 13.3834 k = 0.0000 0.0000 0.0978 ( 4334 PWs) bands (ev): -13.6543 -13.6543 -13.1064 -13.1064 -10.8358 -10.8358 -9.1053 -9.1053 -9.0930 -9.0930 -9.0368 -9.0368 -3.6660 -3.6660 -3.2785 -3.2785 -2.7800 -2.7800 -0.8679 -0.8679 -0.0922 -0.0922 -0.0633 -0.0633 0.4446 0.4446 1.0106 1.0106 1.4140 1.4140 2.2092 2.2092 2.7824 2.7824 3.3110 3.3110 3.4800 3.4800 3.7085 3.7085 3.7271 3.7271 4.3224 4.3224 4.5658 4.5658 5.4241 5.4241 10.7544 10.7544 11.9659 11.9659 12.1434 12.1434 12.8863 12.8863 13.4158 13.4158 k = 0.0000 0.0000 0.0815 ( 4336 PWs) bands (ev): -13.6585 -13.6585 -13.1037 -13.1037 -10.8423 -10.8423 -9.1079 -9.1079 -9.0955 -9.0955 -9.0156 -9.0156 -3.6528 -3.6528 -3.2543 -3.2543 -2.8198 -2.8198 -0.8651 -0.8651 -0.0978 -0.0978 -0.0573 -0.0573 0.4101 0.4101 0.9781 0.9781 1.4301 1.4301 2.2218 2.2218 2.7816 2.7816 3.3068 3.3068 3.4772 3.4772 3.7229 3.7229 3.7521 3.7521 4.3275 4.3275 4.5539 4.5539 5.4261 5.4261 10.7195 10.7195 11.9600 11.9600 12.1112 12.1112 12.9039 12.9039 13.4433 13.4433 k = 0.0000 0.0000 0.0652 ( 4340 PWs) bands (ev): -13.6620 -13.6620 -13.1015 -13.1015 -10.8476 -10.8476 -9.1101 -9.1101 -9.0976 -9.0976 -8.9979 -8.9979 -3.6418 -3.6418 -3.2340 -3.2340 -2.8527 -2.8527 -0.8625 -0.8625 -0.1024 -0.1024 -0.0526 -0.0526 0.3814 0.3814 0.9507 0.9507 1.4436 1.4436 2.2320 2.2320 2.7807 2.7807 3.3033 3.3033 3.4749 3.4749 3.7266 3.7266 3.7812 3.7812 4.3318 4.3318 4.5441 4.5441 5.4279 5.4279 10.6905 10.6905 11.9550 11.9550 12.0845 12.0845 12.9197 12.9197 13.4657 13.4657 k = 0.0000 0.0000 0.0489 ( 4334 PWs) bands (ev): -13.6647 -13.6647 -13.0998 -13.0998 -10.8517 -10.8517 -9.1118 -9.1118 -9.0992 -9.0992 -8.9840 -8.9840 -3.6331 -3.6331 -3.2178 -3.2178 -2.8785 -2.8785 -0.8602 -0.8602 -0.1060 -0.1060 -0.0490 -0.0490 0.3588 0.3588 0.9289 0.9289 1.4542 1.4542 2.2398 2.2398 2.7798 2.7798 3.3006 3.3006 3.4732 3.4732 3.7290 3.7290 3.8048 3.8048 4.3351 4.3351 4.5364 4.5364 5.4294 5.4294 10.6676 10.6676 11.9509 11.9509 12.0635 12.0635 12.9329 12.9329 13.4829 13.4829 k = 0.0000 0.0000 0.0326 ( 4334 PWs) bands (ev): -13.6667 -13.6667 -13.0985 -13.0985 -10.8546 -10.8546 -9.1131 -9.1131 -9.1003 -9.1003 -8.9740 -8.9740 -3.6268 -3.6268 -3.2060 -3.2060 -2.8970 -2.8970 -0.8584 -0.8584 -0.1086 -0.1086 -0.0465 -0.0465 0.3424 0.3424 0.9131 0.9131 1.4620 1.4620 2.2454 2.2454 2.7791 2.7791 3.2986 3.2986 3.4719 3.4719 3.7307 3.7307 3.8219 3.8219 4.3376 4.3376 4.5309 4.5309 5.4305 5.4305 10.6510 10.6510 11.9480 11.9480 12.0484 12.0484 12.9429 12.9429 13.4951 13.4951 k = 0.0000 0.0000 0.0163 ( 4330 PWs) bands (ev): -13.6679 -13.6679 -13.0978 -13.0978 -10.8564 -10.8564 -9.1138 -9.1138 -9.1010 -9.1010 -8.9679 -8.9679 -3.6230 -3.6230 -3.1988 -3.1988 -2.9081 -2.9081 -0.8572 -0.8572 -0.1102 -0.1102 -0.0451 -0.0451 0.3326 0.3326 0.9035 0.9035 1.4666 1.4666 2.2487 2.2487 2.7786 2.7786 3.2974 3.2974 3.4712 3.4712 3.7316 3.7316 3.8323 3.8323 4.3390 4.3390 4.5275 4.5275 5.4313 5.4313 10.6410 10.6410 11.9463 11.9463 12.0393 12.0393 12.9492 12.9492 13.5023 13.5023 k = 0.0000 0.0000 0.0000 ( 4325 PWs) bands (ev): -13.6682 -13.6682 -13.0976 -13.0976 -10.8570 -10.8570 -9.1140 -9.1140 -9.1013 -9.1013 -8.9659 -8.9659 -3.6218 -3.6218 -3.1964 -3.1964 -2.9118 -2.9118 -0.8568 -0.8568 -0.1107 -0.1107 -0.0446 -0.0446 0.3293 0.3293 0.9002 0.9002 1.4682 1.4682 2.2498 2.2498 2.7785 2.7785 3.2970 3.2970 3.4710 3.4710 3.7320 3.7320 3.8358 3.8358 4.3395 4.3395 4.5264 4.5264 5.4315 5.4315 10.6377 10.6377 11.9457 11.9457 12.0363 12.0363 12.9514 12.9514 13.5047 13.5047 k = 0.0000 0.0000 0.0000 ( 4325 PWs) bands (ev): -13.6682 -13.6682 -13.0976 -13.0976 -10.8570 -10.8570 -9.1140 -9.1140 -9.1013 -9.1013 -8.9659 -8.9659 -3.6218 -3.6218 -3.1964 -3.1964 -2.9118 -2.9118 -0.8568 -0.8568 -0.1107 -0.1107 -0.0446 -0.0446 0.3293 0.3293 0.9002 0.9002 1.4682 1.4682 2.2498 2.2498 2.7785 2.7785 3.2970 3.2970 3.4710 3.4710 3.7320 3.7320 3.8358 3.8358 4.3395 4.3395 4.5264 4.5264 5.4315 5.4315 10.6377 10.6377 11.9457 11.9457 12.0363 12.0363 12.9514 12.9514 13.5047 13.5047 k =-0.0139 0.0086 0.0000 ( 4325 PWs) bands (ev): -13.6677 -13.6677 -13.0976 -13.0976 -10.8585 -10.8584 -9.1140 -9.1139 -9.1015 -9.1013 -8.9659 -8.9654 -3.6195 -3.6193 -3.2004 -3.2002 -2.9071 -2.9069 -0.8577 -0.8574 -0.1093 -0.1092 -0.0461 -0.0460 0.3281 0.3282 0.8992 0.8993 1.4695 1.4695 2.2511 2.2511 2.7779 2.7780 3.2962 3.2964 3.4680 3.4681 3.7314 3.7314 3.8353 3.8354 4.3390 4.3394 4.5282 4.5284 5.4307 5.4308 10.6409 10.6409 11.9232 11.9244 12.0577 12.0580 12.9518 12.9518 13.5039 13.5040 k =-0.0278 0.0172 0.0000 ( 4333 PWs) bands (ev): -13.6660 -13.6660 -13.0977 -13.0977 -10.8628 -10.8628 -9.1137 -9.1135 -9.1020 -9.1015 -8.9654 -8.9645 -3.6125 -3.6121 -3.2113 -3.2109 -2.8935 -2.8931 -0.8599 -0.8593 -0.1048 -0.1047 -0.0506 -0.0503 0.3247 0.3248 0.8962 0.8964 1.4732 1.4733 2.2549 2.2550 2.7763 2.7764 3.2938 3.2944 3.4593 3.4594 3.7296 3.7297 3.8339 3.8341 4.3380 4.3386 4.5336 4.5340 5.4284 5.4285 10.6505 10.6506 11.8812 11.8831 12.0985 12.0986 12.9531 12.9532 13.5015 13.5016 k =-0.0417 0.0258 0.0000 ( 4331 PWs) bands (ev): -13.6633 -13.6632 -13.0979 -13.0978 -10.8700 -10.8700 -9.1133 -9.1128 -9.1026 -9.1020 -8.9644 -8.9632 -3.6009 -3.6002 -3.2274 -3.2269 -2.8727 -2.8721 -0.8635 -0.8625 -0.0975 -0.0974 -0.0580 -0.0575 0.3190 0.3192 0.8912 0.8915 1.4795 1.4796 2.2612 2.2614 2.7737 2.7738 3.2899 3.2907 3.4450 3.4453 3.7267 3.7268 3.8317 3.8320 4.3367 4.3376 4.5422 4.5428 5.4246 5.4247 10.6665 10.6666 11.8354 11.8378 12.1423 12.1426 12.9554 12.9556 13.4975 13.4977 k =-0.0556 0.0344 0.0000 ( 4333 PWs) bands (ev): -13.6594 -13.6594 -13.0981 -13.0980 -10.8800 -10.8800 -9.1127 -9.1120 -9.1033 -9.1026 -8.9631 -8.9614 -3.5846 -3.5837 -3.2470 -3.2463 -2.8465 -2.8457 -0.8683 -0.8671 -0.0873 -0.0871 -0.0682 -0.0674 0.3112 0.3114 0.8842 0.8847 1.4882 1.4883 2.2701 2.2703 2.7700 2.7702 3.2840 3.2852 3.4256 3.4260 3.7226 3.7228 3.8286 3.8290 4.3355 4.3365 4.5537 4.5543 5.4194 5.4194 10.6887 10.6888 11.7892 11.7921 12.1857 12.1863 12.9588 12.9590 13.4918 13.4921 k =-0.0694 0.0430 0.0000 ( 4331 PWs) bands (ev): -13.6545 -13.6544 -13.0984 -13.0983 -10.8927 -10.8926 -9.1120 -9.1110 -9.1041 -9.1034 -8.9614 -8.9593 -3.5638 -3.5627 -3.2686 -3.2677 -2.8164 -2.8154 -0.8744 -0.8728 -0.0814 -0.0802 -0.0740 -0.0740 0.3012 0.3015 0.8754 0.8760 1.4993 1.4994 2.2812 2.2816 2.7654 2.7657 3.2757 3.2772 3.4018 3.4025 3.7174 3.7177 3.8247 3.8252 4.3347 4.3359 4.5675 4.5681 5.4127 5.4128 10.7169 10.7170 11.7440 11.7473 12.2274 12.2284 12.9632 12.9636 13.4846 13.4849 k =-0.0833 0.0516 0.0000 ( 4337 PWs) bands (ev): -13.6485 -13.6484 -13.0988 -13.0986 -10.9080 -10.9079 -9.1113 -9.1100 -9.1047 -9.1041 -8.9594 -8.9570 -3.5385 -3.5371 -3.2911 -3.2900 -2.7835 -2.7823 -0.8816 -0.8797 -0.0969 -0.0956 -0.0584 -0.0583 0.2892 0.2895 0.8646 0.8653 1.5128 1.5129 2.2947 2.2951 2.7599 2.7602 3.2637 3.2656 3.3750 3.3761 3.7112 3.7114 3.8200 3.8205 4.3346 4.3358 4.5830 4.5836 5.4046 5.4047 10.7508 10.7509 11.7005 11.7041 12.2666 12.2679 12.9689 12.9693 13.4756 13.4760 k =-0.0972 0.0602 0.0000 ( 4337 PWs) bands (ev): -13.6415 -13.6414 -13.0992 -13.0990 -10.9258 -10.9257 -9.1108 -9.1090 -9.1050 -9.1046 -8.9572 -8.9545 -3.5087 -3.5072 -3.3139 -3.3126 -2.7485 -2.7470 -0.8898 -0.8876 -0.1150 -0.1135 -0.0401 -0.0399 0.2753 0.2756 0.8520 0.8528 1.5286 1.5287 2.3102 2.3107 2.7535 2.7539 3.2462 3.2486 3.3475 3.3489 3.7038 3.7041 3.8144 3.8149 4.3354 4.3366 4.5999 4.6003 5.3953 5.3954 10.7902 10.7904 11.6592 11.6631 12.3028 12.3043 12.9759 12.9764 13.4650 13.4654 k =-0.1111 0.0688 0.0000 ( 4331 PWs) bands (ev): -13.6334 -13.6333 -13.0997 -13.0994 -10.9459 -10.9458 -9.1108 -9.1084 -9.1046 -9.1046 -8.9548 -8.9519 -3.4747 -3.4730 -3.3364 -3.3351 -2.7119 -2.7102 -0.8989 -0.8965 -0.1355 -0.1337 -0.0193 -0.0191 0.2595 0.2598 0.8375 0.8385 1.5466 1.5468 2.3278 2.3283 2.7464 2.7469 3.2209 3.2236 3.3223 3.3238 3.6954 3.6957 3.8079 3.8086 4.3372 4.3384 4.6176 4.6180 5.3848 5.3849 10.8348 10.8350 11.6204 11.6248 12.3354 12.3372 12.9843 12.9850 13.4527 13.4531 k =-0.1250 0.0774 0.0000 ( 4339 PWs) bands (ev): -13.6243 -13.6243 -13.1002 -13.0999 -10.9682 -10.9681 -9.1110 -9.1084 -9.1038 -9.1038 -8.9525 -8.9493 -3.4366 -3.4346 -3.3584 -3.3569 -2.6740 -2.6721 -0.9088 -0.9061 -0.1582 -0.1562 0.0039 0.0041 0.2420 0.2423 0.8213 0.8223 1.5667 1.5669 2.3471 2.3477 2.7386 2.7391 3.1862 3.1889 3.3011 3.3025 3.6860 3.6863 3.8007 3.8014 4.3399 4.3411 4.6359 4.6362 5.3731 5.3732 10.8842 10.8844 11.5847 11.5893 12.3643 12.3662 12.9942 12.9950 13.4388 13.4392 k =-0.1389 0.0860 0.0000 ( 4331 PWs) bands (ev): -13.6143 -13.6143 -13.1007 -13.1004 -10.9925 -10.9924 -9.1114 -9.1086 -9.1026 -9.1026 -8.9501 -8.9467 -3.3945 -3.3923 -3.3796 -3.3780 -2.6353 -2.6331 -0.9195 -0.9165 -0.1830 -0.1806 0.0293 0.0295 0.2230 0.2232 0.8032 0.8043 1.5890 1.5891 2.3681 2.3688 2.7302 2.7308 3.1432 3.1456 3.2835 3.2845 3.6756 3.6760 3.7928 3.7935 4.3437 4.3448 4.6544 4.6546 5.3605 5.3606 10.9381 10.9383 11.5523 11.5572 12.3890 12.3910 13.0056 13.0067 13.4233 13.4237 k =-0.1528 0.0946 0.0000 ( 4326 PWs) bands (ev): -13.6034 -13.6033 -13.1013 -13.1010 -11.0186 -11.0185 -9.1117 -9.1089 -9.1012 -9.1011 -8.9479 -8.9442 -3.3999 -3.3982 -3.3486 -3.3462 -2.5958 -2.5934 -0.9308 -0.9275 -0.2096 -0.2069 0.0568 0.0570 0.2024 0.2026 0.7834 0.7846 1.6131 1.6133 2.3905 2.3912 2.7212 2.7220 3.0938 3.0959 3.2678 3.2684 3.6643 3.6647 3.7840 3.7848 4.3483 4.3493 4.6729 4.6729 5.3470 5.3472 10.9960 10.9962 11.5233 11.5285 12.4096 12.4116 13.0186 13.0198 13.4062 13.4066 k =-0.1667 0.1032 0.0000 ( 4338 PWs) bands (ev): -13.5916 -13.5915 -13.1020 -13.1016 -11.0463 -11.0463 -9.1118 -9.1090 -9.0997 -9.0996 -8.9457 -8.9419 -3.4191 -3.4174 -3.2990 -3.2964 -2.5558 -2.5532 -0.9426 -0.9390 -0.2378 -0.2348 0.0862 0.0864 0.1806 0.1806 0.7618 0.7630 1.6391 1.6392 2.4141 2.4150 2.7118 2.7126 3.0396 3.0416 3.2526 3.2529 3.6521 3.6525 3.7746 3.7754 4.3538 4.3546 4.6910 4.6911 5.3328 5.3330 11.0575 11.0578 11.4982 11.5036 12.4259 12.4279 13.0330 13.0344 13.3878 13.3881 k =-0.1806 0.1118 0.0000 ( 4338 PWs) bands (ev): -13.5790 -13.5789 -13.1026 -13.1023 -11.0755 -11.0755 -9.1117 -9.1088 -9.0982 -9.0980 -8.9438 -8.9398 -3.4372 -3.4354 -3.2459 -3.2431 -2.5155 -2.5126 -0.9548 -0.9510 -0.2675 -0.2641 0.1174 0.1177 0.1575 0.1576 0.7384 0.7397 1.6669 1.6670 2.4387 2.4396 2.7020 2.7030 2.9820 2.9839 3.2372 3.2372 3.6390 3.6394 3.7646 3.7654 4.3598 4.3606 4.7086 4.7089 5.3180 5.3181 11.1223 11.1227 11.4770 11.4826 12.4381 12.4400 13.0487 13.0502 13.3680 13.3683 k =-0.1944 0.1204 0.0000 ( 4334 PWs) bands (ev): -13.5657 -13.5656 -13.1033 -13.1030 -11.1060 -11.1059 -9.1113 -9.1083 -9.0967 -9.0965 -8.9422 -8.9381 -3.4541 -3.4523 -3.1896 -3.1866 -2.4749 -2.4718 -0.9674 -0.9633 -0.2983 -0.2946 0.1330 0.1331 0.1507 0.1507 0.7133 0.7147 1.6963 1.6963 2.4640 2.4651 2.6920 2.6930 2.9221 2.9238 3.2211 3.2213 3.6251 3.6255 3.7539 3.7548 4.3664 4.3671 4.7256 4.7261 5.3027 5.3029 11.1899 11.1904 11.4598 11.4655 12.4464 12.4482 13.0654 13.0670 13.3469 13.3472 k =-0.2083 0.1289 0.0000 ( 4330 PWs) bands (ev): -13.5516 -13.5515 -13.1040 -13.1037 -11.1374 -11.1374 -9.1105 -9.1074 -9.0953 -9.0950 -8.9409 -8.9366 -3.4698 -3.4679 -3.1302 -3.1270 -2.4343 -2.4309 -0.9804 -0.9760 -0.3301 -0.3260 0.1080 0.1082 0.1848 0.1850 0.6866 0.6880 1.7272 1.7273 2.4897 2.4908 2.6817 2.6828 2.8605 2.8622 3.2042 3.2047 3.6104 3.6109 3.7427 3.7436 4.3734 4.3739 4.7419 4.7425 5.2871 5.2873 11.2600 11.2605 11.4468 11.4526 12.4510 12.4528 13.0828 13.0845 13.3246 13.3249 k =-0.2222 0.1375 0.0000 ( 4326 PWs) bands (ev): -13.5369 -13.5368 -13.1048 -13.1044 -11.1697 -11.1697 -9.1094 -9.1063 -9.0939 -9.0936 -8.9399 -8.9355 -3.4843 -3.4824 -3.0681 -3.0646 -2.3937 -2.3901 -0.9935 -0.9889 -0.3626 -0.3581 0.0821 0.0824 0.2203 0.2205 0.6581 0.6596 1.7594 1.7596 2.5151 2.5165 2.6712 2.6725 2.7984 2.8001 3.1865 3.1872 3.5949 3.5954 3.7310 3.7319 4.3805 4.3809 4.7574 4.7581 5.2714 5.2716 11.3320 11.3326 11.4379 11.4439 12.4523 12.4539 13.1006 13.1023 13.3014 13.3016 k =-0.2361 0.1461 0.0000 ( 4322 PWs) bands (ev): -13.5217 -13.5215 -13.1055 -13.1052 -11.2026 -11.2025 -9.1079 -9.1047 -9.0926 -9.0923 -8.9392 -8.9348 -3.4975 -3.4956 -3.0033 -2.9997 -2.3534 -2.3496 -1.0069 -1.0019 -0.3955 -0.3907 0.0555 0.0559 0.2567 0.2570 0.6282 0.6297 1.7929 1.7931 2.5394 2.5410 2.6606 2.6621 2.7370 2.7388 3.1680 3.1689 3.5787 3.5793 3.7188 3.7198 4.3877 4.3880 4.7719 4.7728 5.2556 5.2558 11.4056 11.4062 11.4332 11.4392 12.4505 12.4520 13.1184 13.1201 13.2772 13.2774 k =-0.2500 0.1547 0.0000 ( 4320 PWs) bands (ev): -13.5059 -13.5058 -13.1063 -13.1059 -11.2358 -11.2358 -9.1060 -9.1027 -9.0913 -9.0911 -8.9390 -8.9345 -3.5095 -3.5076 -2.9363 -2.9325 -2.3134 -2.3094 -1.0204 -1.0151 -0.4286 -0.4234 0.0284 0.0290 0.2936 0.2938 0.5971 0.5986 1.8274 1.8278 2.5594 2.5615 2.6500 2.6516 2.6795 2.6816 3.1488 3.1500 3.5618 3.5624 3.7063 3.7073 4.3949 4.3951 4.7856 4.7865 5.2400 5.2402 11.4326 11.4387 11.4804 11.4810 12.4460 12.4474 13.1360 13.1376 13.2523 13.2525 k =-0.2639 0.1633 0.0000 ( 4320 PWs) bands (ev): -13.4898 -13.4897 -13.1070 -13.1066 -11.2693 -11.2692 -9.1038 -9.1004 -9.0902 -9.0900 -8.9392 -8.9346 -3.5204 -3.5184 -2.8672 -2.8632 -2.2739 -2.2697 -1.0340 -1.0285 -0.4617 -0.4562 0.0010 0.0017 0.3299 0.3303 0.5655 0.5670 1.8629 1.8634 2.5613 2.5634 2.6385 2.6409 2.6415 2.6428 3.1292 3.1306 3.5443 3.5449 3.6936 3.6946 4.4018 4.4019 4.7982 4.7992 5.2246 5.2248 11.4360 11.4421 11.5558 11.5565 12.4390 12.4403 13.1529 13.1543 13.2270 13.2273 k =-0.2778 0.1719 0.0000 ( 4318 PWs) bands (ev): -13.4735 -13.4734 -13.1078 -13.1074 -11.3026 -11.3026 -9.1012 -9.0977 -9.0891 -9.0889 -8.9399 -8.9352 -3.5300 -3.5281 -2.7965 -2.7922 -2.2351 -2.2307 -1.0477 -1.0419 -0.4945 -0.4886 -0.0266 -0.0257 0.3638 0.3643 0.5351 0.5366 1.8992 1.8998 2.5244 2.5251 2.6287 2.6306 2.6421 2.6425 3.1094 3.1111 3.5262 3.5269 3.6805 3.6816 4.4084 4.4085 4.8099 4.8109 5.2096 5.2098 11.4433 11.4494 11.6315 11.6323 12.4299 12.4310 13.1685 13.1691 13.2020 13.2028 k =-0.2917 0.1805 0.0000 ( 4316 PWs) bands (ev): -13.4570 -13.4568 -13.1085 -13.1081 -11.3357 -11.3356 -9.0983 -9.0946 -9.0880 -9.0880 -8.9410 -8.9363 -3.5386 -3.5367 -2.7243 -2.7199 -2.1970 -2.1925 -1.0614 -1.0554 -0.5267 -0.5206 -0.0541 -0.0531 0.3896 0.3904 0.5117 0.5128 1.9361 1.9368 2.4708 2.4709 2.6181 2.6202 2.6592 2.6596 3.0900 3.0919 3.5075 3.5083 3.6674 3.6684 4.4147 4.4147 4.8206 4.8217 5.1950 5.1952 11.4543 11.4603 11.7071 11.7079 12.4187 12.4196 13.1694 13.1709 13.1890 13.1917 k =-0.3056 0.1891 0.0000 ( 4318 PWs) bands (ev): -13.4404 -13.4403 -13.1092 -13.1089 -11.3682 -11.3682 -9.0951 -9.0913 -9.0870 -9.0870 -8.9425 -8.9378 -3.5461 -3.5443 -2.6511 -2.6465 -2.1600 -2.1552 -1.0753 -1.0690 -0.5581 -0.5517 -0.0815 -0.0804 0.3936 0.3950 0.5087 0.5092 1.9734 1.9742 2.4149 2.4150 2.6076 2.6098 2.6780 2.6788 3.0715 3.0736 3.4885 3.4893 3.6541 3.6552 4.4204 4.4205 4.8303 4.8315 5.1811 5.1813 11.4688 11.4747 11.7820 11.7829 12.4056 12.4065 13.1466 13.1476 13.2008 13.2027 k =-0.3194 0.1977 0.0000 ( 4316 PWs) bands (ev): -13.4240 -13.4239 -13.1099 -13.1096 -11.3999 -11.3999 -9.0919 -9.0882 -9.0857 -9.0856 -8.9445 -8.9398 -3.5526 -3.5508 -2.5773 -2.5725 -2.1240 -2.1192 -1.0892 -1.0826 -0.5885 -0.5819 -0.1085 -0.1072 0.3717 0.3735 0.5300 0.5302 2.0109 2.0119 2.3602 2.3604 2.5971 2.5995 2.6952 2.6964 3.0548 3.0571 3.4691 3.4699 3.6408 3.6419 4.4256 4.4258 4.8392 4.8403 5.1678 5.1680 11.4865 11.4923 11.8558 11.8567 12.3908 12.3915 13.1218 13.1226 13.2134 13.2150 k =-0.3333 0.2063 0.0000 ( 4312 PWs) bands (ev): -13.4078 -13.4077 -13.1105 -13.1102 -11.4307 -11.4307 -9.0891 -9.0866 -9.0837 -9.0824 -8.9469 -8.9422 -3.5581 -3.5565 -2.5032 -2.4982 -2.0894 -2.0846 -1.1033 -1.0965 -0.6176 -0.6109 -0.1349 -0.1335 0.3371 0.3391 0.5626 0.5626 2.0485 2.0497 2.3079 2.3082 2.5866 2.5892 2.7093 2.7107 3.0407 3.0432 3.4495 3.4504 3.6276 3.6287 4.4304 4.4305 4.8472 4.8483 5.1553 5.1555 11.5072 11.5129 11.9280 11.9289 12.3745 12.3751 13.0974 13.0982 13.2250 13.2263 k =-0.3472 0.2149 0.0000 ( 4318 PWs) bands (ev): -13.3920 -13.3919 -13.1112 -13.1109 -11.4602 -11.4602 -9.0874 -9.0859 -9.0804 -9.0782 -8.9497 -8.9450 -3.5628 -3.5613 -2.4294 -2.4243 -2.0564 -2.0515 -1.1175 -1.1104 -0.6452 -0.6384 -0.1605 -0.1590 0.2976 0.2997 0.5984 0.5985 2.0859 2.0873 2.2585 2.2588 2.5761 2.5788 2.7192 2.7207 3.0303 3.0329 3.4300 3.4309 3.6145 3.6156 4.4346 4.4348 4.8544 4.8554 5.1436 5.1438 11.5305 11.5360 11.9980 11.9990 12.3567 12.3571 13.0740 13.0748 13.2354 13.2364 k =-0.3611 0.2235 0.0000 ( 4322 PWs) bands (ev): -13.3767 -13.3766 -13.1118 -13.1115 -11.4882 -11.4882 -9.0864 -9.0854 -9.0762 -9.0735 -8.9529 -8.9482 -3.5668 -3.5653 -2.3565 -2.3512 -2.0250 -2.0202 -1.1319 -1.1246 -0.6711 -0.6643 -0.1851 -0.1836 0.2562 0.2583 0.6349 0.6350 2.1229 2.1245 2.2124 2.2127 2.5655 2.5684 2.7241 2.7256 3.0243 3.0269 3.4106 3.4115 3.6017 3.6027 4.4382 4.4384 4.8608 4.8618 5.1328 5.1330 11.5560 11.5613 12.0652 12.0662 12.3375 12.3377 13.0521 13.0528 13.2444 13.2453 k =-0.3750 0.2321 0.0000 ( 4330 PWs) bands (ev): -13.3622 -13.3621 -13.1123 -13.1120 -11.5145 -11.5145 -9.0858 -9.0850 -9.0716 -9.0686 -8.9564 -8.9518 -3.5700 -3.5687 -2.2850 -2.2796 -1.9956 -1.9909 -1.1464 -1.1391 -0.6950 -0.6884 -0.2084 -0.2068 0.2143 0.2164 0.6707 0.6707 2.1593 2.1610 2.1700 2.1702 2.5548 2.5578 2.7239 2.7254 3.0229 3.0255 3.3916 3.3925 3.5892 3.5902 4.4413 4.4416 4.8664 4.8674 5.1229 5.1231 11.5833 11.5884 12.1291 12.1301 12.3171 12.3171 13.0319 13.0327 13.2523 13.2529 k =-0.3889 0.2407 0.0000 ( 4320 PWs) bands (ev): -13.3486 -13.3485 -13.1128 -13.1126 -11.5389 -11.5388 -9.0853 -9.0847 -9.0666 -9.0635 -8.9602 -8.9558 -3.5727 -3.5714 -2.2157 -2.2102 -1.9684 -1.9639 -1.1612 -1.1538 -0.7169 -0.7104 -0.2301 -0.2286 0.1729 0.1749 0.7050 0.7050 2.1314 2.1316 2.1948 2.1968 2.5438 2.5470 2.7192 2.7205 3.0257 3.0281 3.3733 3.3742 3.5772 3.5781 4.4440 4.4442 4.8714 4.8723 5.1140 5.1142 11.6120 11.6167 12.1889 12.1899 12.2956 12.2957 13.0139 13.0147 13.2590 13.2595 k =-0.4028 0.2493 0.0000 ( 4326 PWs) bands (ev): -13.3360 -13.3359 -13.1133 -13.1130 -11.5610 -11.5610 -9.0850 -9.0844 -9.0614 -9.0583 -8.9643 -8.9599 -3.5747 -3.5737 -2.1494 -2.1440 -1.9436 -1.9394 -1.1760 -1.1687 -0.7364 -0.7304 -0.2502 -0.2487 0.1330 0.1349 0.7371 0.7371 2.0969 2.0971 2.2292 2.2314 2.5324 2.5358 2.7110 2.7122 3.0318 3.0340 3.3559 3.3568 3.5658 3.5667 4.4462 4.4464 4.8757 4.8765 5.1061 5.1062 11.6413 11.6457 12.2438 12.2449 12.2733 12.2737 12.9983 12.9990 13.2646 13.2649 k =-0.4167 0.2579 0.0000 ( 4314 PWs) bands (ev): -13.3247 -13.3246 -13.1136 -13.1135 -11.5807 -11.5807 -9.0847 -9.0843 -9.0562 -9.0530 -8.9685 -8.9643 -3.5764 -3.5754 -2.0871 -2.0819 -1.9215 -1.9177 -1.1908 -1.1838 -0.7536 -0.7480 -0.2682 -0.2668 0.0955 0.0974 0.7665 0.7665 2.0666 2.0668 2.2622 2.2646 2.5205 2.5240 2.7009 2.7019 3.0399 3.0418 3.3398 3.3406 3.5552 3.5561 4.4480 4.4482 4.8794 4.8801 5.0992 5.0993 11.6707 11.6747 12.2507 12.2509 12.2936 12.2944 12.9853 12.9860 13.2693 13.2695 k =-0.4306 0.2665 0.0000 ( 4314 PWs) bands (ev): -13.3148 -13.3148 -13.1140 -13.1138 -11.5978 -11.5978 -9.0845 -9.0841 -9.0510 -9.0480 -8.9727 -8.9688 -3.5776 -3.5768 -2.0302 -2.0252 -1.9022 -1.8988 -1.2053 -1.1987 -0.7681 -0.7632 -0.2839 -0.2827 0.0616 0.0632 0.7925 0.7925 2.0407 2.0409 2.2936 2.2963 2.5078 2.5114 2.6900 2.6908 3.0489 3.0505 3.3254 3.3261 3.5457 3.5464 4.4494 4.4495 4.8825 4.8831 5.0934 5.0935 11.6993 11.7029 12.2284 12.2288 12.3368 12.3376 12.9749 12.9756 13.2730 13.2731 k =-0.4444 0.2751 0.0000 ( 4324 PWs) bands (ev): -13.3065 -13.3064 -13.1143 -13.1141 -11.6121 -11.6121 -9.0843 -9.0840 -9.0460 -9.0432 -8.9767 -8.9732 -3.5785 -3.5779 -1.9798 -1.9754 -1.8860 -1.8832 -1.2189 -1.2130 -0.7801 -0.7759 -0.2971 -0.2961 0.0321 0.0335 0.8147 0.8147 2.0193 2.0195 2.3232 2.3261 2.4943 2.4980 2.6796 2.6802 3.0577 3.0590 3.3130 3.3136 3.5374 3.5381 4.4505 4.4506 4.8850 4.8855 5.0886 5.0887 11.7260 11.7291 12.2072 12.2078 12.3730 12.3737 12.9673 12.9678 13.2760 13.2760 k =-0.4583 0.2837 0.0000 ( 4320 PWs) bands (ev): -13.2999 -13.2998 -13.1145 -13.1144 -11.6234 -11.6233 -9.0842 -9.0840 -9.0414 -9.0389 -8.9803 -8.9773 -3.5791 -3.5786 -1.9377 -1.9340 -1.8731 -1.8709 -1.2308 -1.2260 -0.7893 -0.7861 -0.3076 -0.3068 0.0080 0.0091 0.8326 0.8326 2.0026 2.0027 2.3508 2.3538 2.4798 2.4834 2.6705 2.6710 3.0654 3.0664 3.3029 3.3034 3.5307 3.5312 4.4513 4.4514 4.8869 4.8873 5.0848 5.0849 11.7496 11.7521 12.1883 12.1889 12.4018 12.4023 12.9620 12.9624 13.2782 13.2782 k =-0.4722 0.2923 0.0000 ( 4320 PWs) bands (ev): -13.2950 -13.2950 -13.1146 -13.1146 -11.6315 -11.6315 -9.0841 -9.0839 -9.0375 -9.0356 -8.9832 -8.9810 -3.5795 -3.5792 -1.9056 -1.9029 -1.8637 -1.8622 -1.2402 -1.2367 -0.7957 -0.7935 -0.3152 -0.3146 -0.0098 -0.0091 0.8457 0.8457 1.9905 1.9906 2.3760 2.3792 2.4642 2.4678 2.6636 2.6639 3.0715 3.0722 3.2955 3.2958 3.5257 3.5260 4.4518 4.4519 4.8883 4.8886 5.0822 5.0822 11.7685 11.7702 12.1731 12.1735 12.4226 12.4230 12.9587 12.9590 13.2798 13.2798 k =-0.4861 0.3009 0.0000 ( 4320 PWs) bands (ev): -13.2921 -13.2921 -13.1147 -13.1147 -11.6365 -11.6365 -9.0840 -9.0839 -9.0346 -9.0335 -8.9850 -8.9837 -3.5797 -3.5795 -1.8851 -1.8837 -1.8578 -1.8570 -1.2460 -1.2442 -0.7994 -0.7982 -0.3197 -0.3194 -0.0207 -0.0203 0.8537 0.8537 1.9833 1.9833 2.3981 2.4009 2.4484 2.4515 2.6592 2.6594 3.0754 3.0757 3.2910 3.2911 3.5226 3.5228 4.4521 4.4522 4.8892 4.8893 5.0806 5.0806 11.7809 11.7818 12.1631 12.1634 12.4352 12.4354 12.9571 12.9572 13.2807 13.2807 k =-0.5000 0.3095 0.0000 ( 4318 PWs) bands (ev): -13.2911 -13.2911 -13.1147 -13.1147 -11.6381 -11.6381 -9.0839 -9.0839 -9.0332 -9.0332 -8.9851 -8.9851 -3.5797 -3.5797 -1.8777 -1.8777 -1.8555 -1.8555 -1.2474 -1.2474 -0.8002 -0.8002 -0.3212 -0.3212 -0.0243 -0.0243 0.8564 0.8564 1.9809 1.9809 2.4115 2.4115 2.4400 2.4400 2.6578 2.6578 3.0768 3.0768 3.2895 3.2895 3.5217 3.5217 4.4523 4.4523 4.8895 4.8895 5.0800 5.0800 11.7856 11.7856 12.1597 12.1597 12.4395 12.4395 12.9566 12.9566 13.2810 13.2810 k =-0.5000 0.3095 0.0000 ( 4318 PWs) bands (ev): -13.2911 -13.2911 -13.1147 -13.1147 -11.6381 -11.6381 -9.0839 -9.0839 -9.0332 -9.0332 -8.9851 -8.9851 -3.5797 -3.5797 -1.8777 -1.8777 -1.8555 -1.8555 -1.2474 -1.2474 -0.8002 -0.8002 -0.3212 -0.3212 -0.0243 -0.0243 0.8564 0.8564 1.9809 1.9809 2.4115 2.4115 2.4400 2.4400 2.6578 2.6578 3.0768 3.0768 3.2895 3.2895 3.5217 3.5217 4.4523 4.4523 4.8895 4.8895 5.0800 5.0800 11.7856 11.7856 12.1597 12.1597 12.4395 12.4395 12.9566 12.9566 13.2810 13.2810 k =-0.4914 0.3233-0.0000 ( 4326 PWs) bands (ev): -13.2913 -13.2913 -13.1148 -13.1148 -11.6372 -11.6372 -9.1008 -9.0975 -9.0328 -9.0324 -8.9733 -8.9696 -3.5794 -3.5793 -1.9029 -1.9024 -1.8264 -1.8261 -1.2481 -1.2481 -0.8016 -0.8013 -0.3384 -0.3336 -0.0128 -0.0078 0.8561 0.8565 1.9808 1.9809 2.4095 2.4102 2.4396 2.4416 2.6574 2.6596 3.0749 3.0758 3.2902 3.2903 3.5215 3.5215 4.4531 4.4536 4.8856 4.8864 5.0794 5.0803 11.7871 11.7877 12.1607 12.1608 12.4432 12.4438 12.9448 12.9512 13.2893 13.2954 k =-0.4829 0.3372-0.0000 ( 4326 PWs) bands (ev): -13.2917 -13.2917 -13.1150 -13.1149 -11.6343 -11.6343 -9.1345 -9.1301 -9.0313 -9.0306 -8.9455 -8.9403 -3.5782 -3.5781 -1.9322 -1.9314 -1.7846 -1.7839 -1.2504 -1.2504 -0.8055 -0.8049 -0.3782 -0.3704 0.0215 0.0297 0.8557 0.8564 1.9807 1.9810 2.4042 2.4057 2.4406 2.4445 2.6584 2.6628 3.0700 3.0717 3.2925 3.2927 3.5209 3.5210 4.4562 4.4572 4.8750 4.8766 5.0784 5.0801 11.7924 11.7935 12.1637 12.1638 12.4549 12.4563 12.9196 12.9308 13.3181 13.3285 k =-0.4743 0.3510-0.0000 ( 4326 PWs) bands (ev): -13.2925 -13.2925 -13.1152 -13.1152 -11.6295 -11.6295 -9.1743 -9.1697 -9.0286 -9.0277 -8.9137 -8.9079 -3.5763 -3.5761 -1.9576 -1.9564 -1.7381 -1.7371 -1.2541 -1.2541 -0.8118 -0.8110 -0.4306 -0.4214 0.0682 0.0781 0.8551 0.8562 1.9806 1.9810 2.3956 2.3979 2.4427 2.4485 2.6610 2.6675 3.0621 3.0647 3.2963 3.2967 3.5200 3.5202 4.4615 4.4629 4.8582 4.8604 5.0766 5.0789 11.8013 11.8029 12.1688 12.1689 12.4746 12.4765 12.8870 12.9011 13.3616 13.3746 k =-0.4657 0.3648-0.0000 ( 4318 PWs) bands (ev): -13.2937 -13.2936 -13.1156 -13.1156 -11.6228 -11.6228 -9.2170 -9.2125 -9.0249 -9.0236 -8.8818 -8.8756 -3.5737 -3.5734 -1.9786 -1.9769 -1.6877 -1.6862 -1.2593 -1.2593 -0.8205 -0.8195 -0.4897 -0.4798 0.1208 0.1316 0.8542 0.8556 1.9807 1.9812 2.3838 2.3867 2.4459 2.4534 2.6653 2.6737 3.0514 3.0548 3.3017 3.3022 3.5188 3.5190 4.4689 4.4708 4.8359 4.8386 5.0735 5.0763 11.8139 11.8158 12.1758 12.1759 12.5020 12.5043 12.8513 12.8672 13.4148 13.4290 k =-0.4572 0.3787-0.0000 ( 4314 PWs) bands (ev): -13.2951 -13.2951 -13.1161 -13.1161 -11.6142 -11.6142 -9.2615 -9.2571 -9.0200 -9.0185 -8.8510 -8.8444 -3.5703 -3.5699 -1.9949 -1.9929 -1.6334 -1.6315 -1.2660 -1.2660 -0.8315 -0.8302 -0.5525 -0.5422 0.1758 0.1871 0.8529 0.8547 1.9811 1.9817 2.3685 2.3722 2.4499 2.4588 2.6715 2.6816 3.0379 3.0422 3.3086 3.3093 3.5172 3.5175 4.4784 4.4808 4.8089 4.8119 5.0688 5.0720 11.8300 11.8321 12.1847 12.1849 12.5367 12.5392 12.8154 12.8325 13.4742 13.4891 k =-0.4486 0.3925-0.0000 ( 4312 PWs) bands (ev): -13.2969 -13.2969 -13.1167 -13.1167 -11.6037 -11.6037 -9.3072 -9.3031 -9.0141 -9.0123 -8.8217 -8.8149 -3.5663 -3.5658 -2.0067 -2.0043 -1.5756 -1.5733 -1.2742 -1.2742 -0.8447 -0.8431 -0.6173 -0.6069 0.2316 0.2432 0.8511 0.8532 1.9818 1.9825 2.3499 2.3542 2.4545 2.4645 2.6798 2.6911 3.0218 3.0269 3.3171 3.3179 3.5154 3.5158 4.4900 4.4928 4.7778 4.7810 5.0622 5.0657 11.8494 11.8518 12.1956 12.1958 12.5779 12.5803 12.7810 12.7992 13.5382 13.5533 k =-0.4400 0.4064-0.0000 ( 4320 PWs) bands (ev): -13.2991 -13.2991 -13.1173 -13.1173 -11.5913 -11.5913 -9.3539 -9.3500 -9.0072 -9.0051 -8.7943 -8.7873 -3.5616 -3.5611 -2.0137 -2.0110 -1.5143 -1.5116 -1.2837 -1.2837 -0.8600 -0.8580 -0.6834 -0.6730 0.2872 0.2991 0.8487 0.8510 1.9831 1.9838 2.3278 2.3328 2.4594 2.4701 2.6903 2.7026 3.0033 3.0092 3.3270 3.3280 3.5134 3.5138 4.5035 4.5068 4.7432 4.7466 5.0536 5.0572 11.8721 11.8745 12.2082 12.2085 12.6237 12.6252 12.7507 12.7702 13.6050 13.6160 k =-0.4315 0.4202-0.0000 ( 4324 PWs) bands (ev): -13.3017 -13.3016 -13.1180 -13.1180 -11.5771 -11.5770 -9.4014 -9.3976 -8.9992 -8.9968 -8.7690 -8.7617 -3.5564 -3.5558 -2.0162 -2.0131 -1.4498 -1.4467 -1.2947 -1.2947 -0.8771 -0.8749 -0.7501 -0.7398 0.3421 0.3541 0.8454 0.8480 1.9851 1.9858 2.3022 2.3078 2.4644 2.4754 2.7031 2.7159 2.9826 2.9892 3.3385 3.3397 3.5111 3.5116 4.5190 4.5227 4.7057 4.7091 5.0428 5.0466 11.8978 11.9001 12.2226 12.2229 12.6647 12.6651 12.7341 12.7549 13.5811 13.5817 k =-0.4229 0.4341-0.0000 ( 4334 PWs) bands (ev): -13.3046 -13.3045 -13.1187 -13.1186 -11.5609 -11.5609 -9.4493 -9.4458 -8.9902 -8.9875 -8.7458 -8.7384 -3.5507 -3.5501 -2.0140 -2.0106 -1.3824 -1.3789 -1.3070 -1.3069 -0.8960 -0.8934 -0.8170 -0.8068 0.3960 0.4081 0.8411 0.8440 1.9880 1.9886 2.2730 2.2793 2.4694 2.4803 2.7181 2.7311 2.9598 2.9672 3.3514 3.3529 3.5087 3.5092 4.5362 4.5403 4.6657 4.6691 5.0301 5.0339 11.9262 11.9282 12.2385 12.2389 12.6676 12.6738 12.7645 12.7794 13.5400 13.5405 k =-0.4143 0.4479-0.0000 ( 4338 PWs) bands (ev): -13.3080 -13.3079 -13.1194 -13.1193 -11.5429 -11.5428 -9.4977 -9.4943 -8.9802 -8.9773 -8.7248 -8.7172 -3.5446 -3.5439 -2.0073 -2.0036 -1.3222 -1.3208 -1.3106 -1.3080 -0.9167 -0.9135 -0.8834 -0.8736 0.4487 0.4609 0.8356 0.8388 1.9919 1.9925 2.2403 2.2472 2.4742 2.4846 2.7354 2.7481 2.9353 2.9434 3.3659 3.3677 3.5062 3.5068 4.5551 4.5596 4.6236 4.6271 5.0154 5.0192 11.9570 11.9585 12.2560 12.2565 12.6489 12.6585 12.8253 12.8366 13.4951 13.4956 k =-0.4058 0.4617-0.0000 ( 4332 PWs) bands (ev): -13.3117 -13.3117 -13.1201 -13.1200 -11.5230 -11.5230 -9.5462 -9.5430 -8.9693 -8.9661 -8.7061 -8.6983 -3.5382 -3.5375 -1.9963 -1.9922 -1.3358 -1.3355 -1.2394 -1.2352 -0.9510 -0.9398 -0.9368 -0.9349 0.5000 0.5122 0.8287 0.8321 1.9969 1.9974 2.2041 2.2114 2.4787 2.4884 2.7546 2.7668 2.9092 2.9181 3.3818 3.3839 3.5037 3.5044 4.5751 4.5800 4.5804 4.5839 4.9989 5.0027 11.9896 11.9905 12.2748 12.2753 12.6297 12.6399 12.8955 12.9055 13.4477 13.4482 k =-0.3972 0.4756-0.0000 ( 4318 PWs) bands (ev): -13.3159 -13.3159 -13.1207 -13.1207 -11.5012 -11.5012 -9.5949 -9.5919 -8.9575 -8.9540 -8.6896 -8.6817 -3.5316 -3.5308 -1.9810 -1.9767 -1.3518 -1.3515 -1.1664 -1.1613 -1.0137 -1.0038 -0.9606 -0.9576 0.5498 0.5620 0.8203 0.8239 2.0032 2.0036 2.1642 2.1721 2.4831 2.4918 2.7755 2.7869 2.8819 2.8914 3.3991 3.4018 3.5013 3.5022 4.5352 4.5384 4.5977 4.6027 4.9809 4.9846 12.0233 12.0233 12.2948 12.2954 12.6139 12.6238 12.9713 12.9807 13.3985 13.3989 k =-0.3886 0.4894-0.0000 ( 4324 PWs) bands (ev): -13.3206 -13.3205 -13.1213 -13.1213 -11.4777 -11.4776 -9.6435 -9.6406 -8.9448 -8.9410 -8.6754 -8.6674 -3.5249 -3.5240 -1.9619 -1.9574 -1.3690 -1.3687 -1.1126 -1.1035 -1.0546 -1.0485 -0.9847 -0.9813 0.5981 0.6103 0.8102 0.8140 2.0109 2.0113 2.1209 2.1291 2.4872 2.4948 2.7978 2.8082 2.8536 2.8636 3.4178 3.4211 3.4989 3.5003 4.4895 4.4927 4.6209 4.6263 4.9614 4.9650 12.0561 12.0573 12.3157 12.3164 12.6031 12.6120 13.0514 13.0606 13.3479 13.3483 k =-0.3800 0.5033-0.0000 ( 4324 PWs) bands (ev): -13.3257 -13.3256 -13.1218 -13.1218 -11.4523 -11.4522 -9.6919 -9.6892 -8.9313 -8.9273 -8.6635 -8.6553 -3.5182 -3.5173 -1.9393 -1.9346 -1.3874 -1.3870 -1.1544 -1.1436 -1.0106 -1.0058 -0.9955 -0.9919 0.6448 0.6570 0.7982 0.8022 2.0201 2.0204 2.0740 2.0827 2.4912 2.4975 2.8203 2.8252 2.8301 2.8353 3.4374 3.4420 3.4968 3.4990 4.4434 4.4464 4.6454 4.6511 4.9407 4.9443 12.0879 12.0904 12.3373 12.3380 12.5985 12.6060 13.1351 13.1441 13.2963 13.2965 k =-0.3715 0.5171-0.0000 ( 4314 PWs) bands (ev): -13.3313 -13.3312 -13.1223 -13.1223 -11.4251 -11.4250 -9.7401 -9.7376 -8.9171 -8.9127 -8.6537 -8.6455 -3.5117 -3.5107 -1.9136 -1.9088 -1.4067 -1.4063 -1.2141 -1.2035 -1.0352 -1.0309 -0.9166 -0.9118 0.6901 0.7022 0.7843 0.7884 2.0239 2.0293 2.0311 2.0345 2.4951 2.5002 2.7945 2.8056 2.8453 2.8533 3.4574 3.4644 3.4950 3.4992 4.3969 4.3998 4.6710 4.6770 4.9190 4.9225 12.1172 12.1214 12.3592 12.3601 12.6014 12.6071 13.2214 13.2304 13.2441 13.2442 k =-0.3629 0.5310-0.0000 ( 4316 PWs) bands (ev): -13.3373 -13.3372 -13.1227 -13.1226 -11.3961 -11.3960 -9.7879 -9.7855 -8.9021 -8.8975 -8.6461 -8.6378 -3.5055 -3.5044 -1.8858 -1.8809 -1.4270 -1.4265 -1.2731 -1.2626 -1.0610 -1.0564 -0.8336 -0.8283 0.7338 0.7459 0.7684 0.7726 1.9706 1.9796 2.0435 2.0436 2.4991 2.5029 2.7644 2.7759 2.8695 2.8763 3.4745 3.4882 3.4938 3.5042 4.3505 4.3532 4.6976 4.7038 4.8966 4.8999 12.1428 12.1489 12.3811 12.3821 12.6130 12.6166 13.1908 13.1909 13.3106 13.3195 k =-0.3543 0.5448-0.0000 ( 4318 PWs) bands (ev): -13.3438 -13.3437 -13.1229 -13.1229 -11.3654 -11.3652 -9.8352 -9.8330 -8.8865 -8.8816 -8.6406 -8.6322 -3.4997 -3.4987 -1.8570 -1.8521 -1.4483 -1.4477 -1.3289 -1.3184 -1.0870 -1.0820 -0.7486 -0.7429 0.7500 0.7541 0.7766 0.7885 1.9142 1.9235 2.0577 2.0579 2.5032 2.5058 2.7340 2.7458 2.8938 2.8993 3.4830 3.4927 3.5138 3.5198 4.3044 4.3069 4.7250 4.7314 4.8735 4.8767 12.1637 12.1716 12.4024 12.4036 12.6340 12.6356 13.1376 13.1379 13.4013 13.4102 k =-0.3458 0.5586-0.0000 ( 4320 PWs) bands (ev): -13.3507 -13.3506 -13.1231 -13.1231 -11.3329 -11.3327 -9.8820 -9.8799 -8.8703 -8.8652 -8.6371 -8.6287 -3.4946 -3.4935 -1.8294 -1.8245 -1.4705 -1.4698 -1.3794 -1.3688 -1.1128 -1.1075 -0.6620 -0.6560 0.7297 0.7339 0.8176 0.8295 1.8551 1.8645 2.0737 2.0740 2.5075 2.5089 2.7034 2.7155 2.9176 2.9218 3.4858 3.4925 3.5407 3.5433 4.2587 4.2610 4.7530 4.7596 4.8499 4.8530 12.1795 12.1890 12.4225 12.4240 12.6643 12.6647 13.0848 13.0854 13.4932 13.5022 k =-0.3458 0.5586-0.0000 ( 4320 PWs) bands (ev): -13.3507 -13.3506 -13.1231 -13.1231 -11.3329 -11.3327 -9.8820 -9.8799 -8.8703 -8.8652 -8.6371 -8.6287 -3.4946 -3.4935 -1.8294 -1.8245 -1.4705 -1.4698 -1.3794 -1.3688 -1.1128 -1.1075 -0.6620 -0.6560 0.7297 0.7339 0.8176 0.8295 1.8551 1.8645 2.0737 2.0740 2.5075 2.5089 2.7034 2.7155 2.9176 2.9218 3.4858 3.4925 3.5407 3.5433 4.2587 4.2610 4.7530 4.7596 4.8499 4.8530 12.1795 12.1890 12.4225 12.4240 12.6643 12.6647 13.0848 13.0854 13.4932 13.5022 k =-0.3458 0.5586 0.0163 ( 4322 PWs) bands (ev): -13.3506 -13.3505 -13.1232 -13.1231 -11.3319 -11.3318 -9.8814 -9.8793 -8.8726 -8.8675 -8.6380 -8.6296 -3.4921 -3.4910 -1.8376 -1.8327 -1.4709 -1.4702 -1.3686 -1.3581 -1.1114 -1.1061 -0.6655 -0.6595 0.7303 0.7346 0.8192 0.8311 1.8533 1.8626 2.0731 2.0733 2.5076 2.5090 2.7024 2.7145 2.9193 2.9235 3.4837 3.4901 3.5436 3.5459 4.2585 4.2608 4.7527 4.7593 4.8492 4.8523 12.1757 12.1852 12.4209 12.4224 12.6659 12.6661 13.0802 13.0808 13.4994 13.5083 k =-0.3458 0.5586 0.0326 ( 4325 PWs) bands (ev): -13.3501 -13.3500 -13.1234 -13.1234 -11.3290 -11.3289 -9.8798 -9.8777 -8.8796 -8.8745 -8.6407 -8.6323 -3.4848 -3.4837 -1.8601 -1.8551 -1.4721 -1.4715 -1.3383 -1.3279 -1.1070 -1.1017 -0.6758 -0.6699 0.7321 0.7364 0.8241 0.8358 1.8479 1.8571 2.0712 2.0715 2.5082 2.5095 2.6996 2.7115 2.9245 2.9286 3.4782 3.4841 3.5511 3.5528 4.2578 4.2602 4.7518 4.7583 4.8470 4.8501 12.1646 12.1740 12.4162 12.4176 12.6701 12.6703 13.0664 13.0671 13.5176 13.5262 k =-0.3458 0.5586 0.0489 ( 4325 PWs) bands (ev): -13.3492 -13.3491 -13.1239 -13.1238 -11.3242 -11.3241 -9.8771 -9.8751 -8.8911 -8.8860 -8.6452 -8.6368 -3.4727 -3.4717 -1.8924 -1.8872 -1.4743 -1.4737 -1.2931 -1.2829 -1.0997 -1.0944 -0.6926 -0.6869 0.7351 0.7394 0.8320 0.8434 1.8390 1.8479 2.0681 2.0684 2.5092 2.5103 2.6948 2.7064 2.9330 2.9370 3.4710 3.4764 3.5613 3.5626 4.2568 4.2592 4.7502 4.7568 4.8434 4.8464 12.1473 12.1566 12.4084 12.4098 12.6765 12.6772 13.0435 13.0442 13.5468 13.5550 k =-0.3458 0.5586 0.0652 ( 4323 PWs) bands (ev): -13.3480 -13.3479 -13.1245 -13.1244 -11.3175 -11.3174 -9.8734 -9.8713 -8.9070 -8.9020 -8.6514 -8.6432 -3.4559 -3.4549 -1.9301 -1.9248 -1.4775 -1.4769 -1.2376 -1.2274 -1.0893 -1.0841 -0.7155 -0.7101 0.7393 0.7437 0.8425 0.8535 1.8267 1.8351 2.0639 2.0641 2.5108 2.5117 2.6881 2.6991 2.9445 2.9484 3.4629 3.4680 3.5730 3.5741 4.2554 4.2577 4.7480 4.7545 4.8383 4.8413 12.1253 12.1345 12.3978 12.3992 12.6849 12.6863 13.0117 13.0124 13.5854 13.5931 k =-0.3458 0.5586 0.0815 ( 4323 PWs) bands (ev): -13.3465 -13.3464 -13.1252 -13.1252 -11.3088 -11.3087 -9.8685 -9.8665 -8.9273 -8.9223 -8.6595 -8.6513 -3.4346 -3.4337 -1.9701 -1.9648 -1.4817 -1.4811 -1.1748 -1.1647 -1.0758 -1.0706 -0.7439 -0.7388 0.7448 0.7492 0.8550 0.8655 1.8110 1.8190 2.0586 2.0587 2.5131 2.5138 2.6792 2.6897 2.9589 2.9626 3.4546 3.4595 3.5858 3.5869 4.2537 4.2559 4.7451 4.7516 4.8317 4.8347 12.1002 12.1092 12.3846 12.3860 12.6950 12.6970 12.9717 12.9725 13.6315 13.6385 k =-0.3458 0.5586 0.0978 ( 4337 PWs) bands (ev): -13.3447 -13.3446 -13.1262 -13.1262 -11.2983 -11.2982 -9.8627 -9.8607 -8.9517 -8.9468 -8.6692 -8.6611 -3.4090 -3.4083 -2.0105 -2.0053 -1.4870 -1.4865 -1.1071 -1.0970 -1.0590 -1.0540 -0.7770 -0.7723 0.7514 0.7559 0.8691 0.8791 1.7921 1.7996 2.0523 2.0524 2.5164 2.5168 2.6681 2.6779 2.9758 2.9794 3.4463 3.4510 3.5994 3.6005 4.2516 4.2538 4.7415 4.7478 4.8238 4.8267 12.0735 12.0825 12.3689 12.3703 12.7065 12.7092 12.9247 12.9256 13.6829 13.6873 k =-0.3458 0.5586 0.1141 ( 4332 PWs) bands (ev): -13.3426 -13.3425 -13.1273 -13.1273 -11.2858 -11.2858 -9.8557 -9.8538 -8.9800 -8.9753 -8.6806 -8.6727 -3.3794 -3.3788 -2.0502 -2.0450 -1.4936 -1.4931 -1.0410 -1.0344 -1.0341 -1.0264 -0.8135 -0.8091 0.7592 0.7638 0.8841 0.8935 1.7701 1.7771 2.0453 2.0453 2.5206 2.5208 2.6547 2.6638 2.9949 2.9983 3.4380 3.4427 3.6137 3.6149 4.2492 4.2514 4.7370 4.7433 4.8144 4.8172 12.0466 12.0557 12.3509 12.3523 12.7193 12.7227 12.8724 12.8735 13.6799 13.6807 k =-0.3458 0.5586 0.1304 ( 4328 PWs) bands (ev): -13.3401 -13.3400 -13.1287 -13.1286 -11.2715 -11.2714 -9.8477 -9.8458 -9.0122 -9.0075 -8.6936 -8.6859 -3.3461 -3.3456 -2.0882 -2.0832 -1.5015 -1.5009 -1.0160 -1.0107 -0.9671 -0.9578 -0.8491 -0.8447 0.7683 0.7730 0.8996 0.9083 1.7453 1.7516 2.0376 2.0377 2.5257 2.5259 2.6389 2.6471 3.0159 3.0192 3.4299 3.4346 3.6285 3.6299 4.2467 4.2488 4.7317 4.7379 4.8036 4.8064 12.0207 12.0299 12.3305 12.3318 12.7333 12.7373 12.8169 12.8181 13.6720 13.6728 k =-0.3458 0.5586 0.1467 ( 4336 PWs) bands (ev): -13.3374 -13.3373 -13.1301 -13.1301 -11.2552 -11.2552 -9.8386 -9.8368 -9.0478 -9.0433 -8.7083 -8.7006 -3.3093 -3.3090 -2.1242 -2.1193 -1.5107 -1.5102 -0.9891 -0.9840 -0.9330 -0.9275 -0.8507 -0.8430 0.7786 0.7834 0.9149 0.9230 1.7179 1.7235 2.0294 2.0297 2.5317 2.5322 2.6204 2.6277 3.0386 3.0416 3.4220 3.4267 3.6438 3.6454 4.2439 4.2460 4.7255 4.7316 4.7914 4.7941 11.9968 12.0061 12.3074 12.3087 12.7482 12.7527 12.7606 12.7621 13.6641 13.6647 k =-0.3458 0.5586 0.1630 ( 4334 PWs) bands (ev): -13.3343 -13.3342 -13.1318 -13.1318 -11.2371 -11.2371 -9.8285 -9.8267 -9.0867 -9.0823 -8.7244 -8.7170 -3.2695 -3.2693 -2.1577 -2.1531 -1.5213 -1.5208 -0.9665 -0.9623 -0.9578 -0.9535 -0.7866 -0.7772 0.7901 0.7951 0.9298 0.9372 1.6879 1.6928 2.0212 2.0216 2.5386 2.5393 2.5993 2.6056 3.0625 3.0654 3.4143 3.4190 3.6596 3.6614 4.2411 4.2431 4.7183 4.7243 4.7779 4.7805 11.9756 11.9850 12.2812 12.2825 12.7055 12.7069 12.7644 12.7696 13.6553 13.6559 k =-0.3458 0.5586 0.1793 ( 4336 PWs) bands (ev): -13.3310 -13.3309 -13.1337 -13.1337 -11.2172 -11.2172 -9.8173 -9.8156 -9.1286 -9.1243 -8.7421 -8.7348 -3.2269 -3.2268 -2.1886 -2.1841 -1.5333 -1.5328 -1.0133 -1.0102 -0.9246 -0.9199 -0.7084 -0.6987 0.8029 0.8080 0.9437 0.9504 1.6555 1.6597 2.0131 2.0136 2.5461 2.5470 2.5754 2.5807 3.0874 3.0902 3.4069 3.4115 3.6758 3.6779 4.2382 4.2402 4.7100 4.7159 4.7631 4.7657 11.9578 11.9674 12.2516 12.2527 12.6541 12.6556 12.7812 12.7869 13.6452 13.6456 k =-0.3458 0.5586 0.1956 ( 4341 PWs) bands (ev): -13.3274 -13.3273 -13.1357 -13.1357 -11.1954 -11.1954 -9.8051 -9.8035 -9.1733 -9.1691 -8.7611 -8.7540 -3.1820 -3.1819 -2.2166 -2.2123 -1.5467 -1.5462 -1.0647 -1.0620 -0.8872 -0.8827 -0.6270 -0.6173 0.8169 0.8221 0.9563 0.9624 1.6211 1.6245 2.0055 2.0062 2.5477 2.5509 2.5550 2.5573 3.1131 3.1157 3.3996 3.4042 3.6924 3.6948 4.2354 4.2374 4.7006 4.7064 4.7472 4.7496 11.9439 11.9536 12.2181 12.2190 12.6085 12.6099 12.7988 12.8050 13.6330 13.6334 k =-0.3458 0.5586 0.2118 ( 4345 PWs) bands (ev): -13.3236 -13.3235 -13.1379 -13.1379 -11.1718 -11.1717 -9.7918 -9.7903 -9.2204 -9.2164 -8.7815 -8.7746 -3.1351 -3.1349 -2.2417 -2.2376 -1.5616 -1.5611 -1.1182 -1.1159 -0.8463 -0.8419 -0.5444 -0.5346 0.8321 0.8375 0.9675 0.9729 1.5846 1.5873 1.9987 1.9996 2.5185 2.5214 2.5628 2.5644 3.1392 3.1417 3.3926 3.3972 3.7095 3.7121 4.2328 4.2347 4.6900 4.6957 4.7301 4.7324 11.9342 11.9440 12.1808 12.1815 12.5698 12.5711 12.8168 12.8236 13.6185 13.6188 k =-0.3458 0.5586 0.2281 ( 4339 PWs) bands (ev): -13.3195 -13.3194 -13.1403 -13.1403 -11.1464 -11.1462 -9.7776 -9.7761 -9.2698 -9.2660 -8.8031 -8.7964 -3.0864 -3.0861 -2.2637 -2.2598 -1.5779 -1.5775 -1.1731 -1.1711 -0.8019 -0.7977 -0.4611 -0.4514 0.8486 0.8542 0.9769 0.9817 1.5463 1.5482 1.9931 1.9942 2.4857 2.4875 2.5711 2.5728 3.1653 3.1677 3.3859 3.3905 3.7270 3.7299 4.2304 4.2322 4.6782 4.6837 4.7119 4.7141 11.9289 11.9389 12.1403 12.1407 12.5386 12.5398 12.8350 12.8423 13.6011 13.6014 k =-0.3458 0.5586 0.2444 ( 4337 PWs) bands (ev): -13.3152 -13.3151 -13.1429 -13.1429 -11.1191 -11.1190 -9.7623 -9.7610 -9.3212 -9.3175 -8.8259 -8.8195 -3.0364 -3.0359 -2.2826 -2.2789 -1.5957 -1.5952 -1.2288 -1.2271 -0.7540 -0.7500 -0.3779 -0.3681 0.8663 0.8721 0.9845 0.9886 1.5063 1.5076 1.9889 1.9902 2.4499 2.4506 2.5791 2.5809 3.1913 3.1935 3.3796 3.3841 3.7450 3.7481 4.2283 4.2301 4.6650 4.6703 4.6929 4.6949 11.9282 11.9384 12.0979 12.0980 12.5147 12.5157 12.8531 12.8609 13.5804 13.5807 k =-0.3458 0.5586 0.2607 ( 4335 PWs) bands (ev): -13.3107 -13.3106 -13.1457 -13.1457 -11.0901 -11.0899 -9.7460 -9.7448 -9.3743 -9.3707 -8.8498 -8.8436 -2.9853 -2.9847 -2.2984 -2.2949 -1.6149 -1.6145 -1.2850 -1.2835 -0.7028 -0.6991 -0.2949 -0.2853 0.8853 0.8913 0.9902 0.9936 1.4648 1.4653 1.9865 1.9880 2.4106 2.4110 2.5863 2.5883 3.2167 3.2188 3.3736 3.3781 3.7635 3.7669 4.2267 4.2285 4.6505 4.6557 4.6730 4.6749 11.9322 11.9425 12.0547 12.0552 12.4974 12.4981 12.8706 12.8790 13.5561 13.5564 k =-0.3458 0.5586 0.2770 ( 4337 PWs) bands (ev): -13.3060 -13.3059 -13.1486 -13.1486 -11.0594 -11.0591 -9.7288 -9.7277 -9.4289 -9.4255 -8.8747 -8.8688 -2.9333 -2.9326 -2.3110 -2.3078 -1.6355 -1.6351 -1.3414 -1.3401 -0.6483 -0.6449 -0.2128 -0.2032 0.9055 0.9116 0.9937 0.9965 1.4218 1.4219 1.9861 1.9879 2.3677 2.3693 2.5924 2.5946 3.2412 3.2431 3.3681 3.3726 3.7828 3.7864 4.2256 4.2273 4.6346 4.6396 4.6524 4.6542 11.9408 11.9513 12.0128 12.0137 12.4855 12.4861 12.8870 12.8959 13.5274 13.5279 k =-0.3458 0.5586 0.2933 ( 4343 PWs) bands (ev): -13.3011 -13.3010 -13.1518 -13.1517 -11.0269 -11.0266 -9.7105 -9.7095 -9.4848 -9.4815 -8.9005 -8.8949 -2.8809 -2.8801 -2.3205 -2.3175 -1.6575 -1.6572 -1.3976 -1.3965 -0.5908 -0.5877 -0.1319 -0.1224 0.9267 0.9330 0.9952 0.9973 1.3770 1.3778 1.9882 1.9901 2.3220 2.3247 2.5971 2.5994 3.2644 3.2661 3.3632 3.3676 3.8028 3.8066 4.2251 4.2268 4.6174 4.6221 4.6313 4.6330 11.9541 11.9643 11.9736 11.9753 12.4782 12.4785 12.9015 12.9109 13.4937 13.4944 k =-0.3458 0.5586 0.3096 ( 4344 PWs) bands (ev): -13.2961 -13.2960 -13.1551 -13.1551 -10.9927 -10.9923 -9.6913 -9.6905 -9.5417 -9.5386 -8.9272 -8.9218 -2.8282 -2.8273 -2.3269 -2.3241 -1.6809 -1.6806 -1.4536 -1.4526 -0.5302 -0.5275 -0.0525 -0.0431 0.9489 0.9554 0.9945 0.9960 1.3314 1.3327 1.9929 1.9951 2.2736 2.2774 2.6000 2.6024 3.2859 3.2874 3.3591 3.3634 3.8237 3.8277 4.2253 4.2270 4.5987 4.6031 4.6097 4.6114 11.9381 11.9397 11.9721 11.9828 12.4744 12.4746 12.9135 12.9234 13.4539 13.4550 k =-0.3458 0.5586 0.3259 ( 4341 PWs) bands (ev): -13.2909 -13.2908 -13.1586 -13.1586 -10.9568 -10.9564 -9.6712 -9.6705 -9.5995 -9.5966 -8.9546 -8.9495 -2.7754 -2.7744 -2.3302 -2.3276 -1.7057 -1.7055 -1.5089 -1.5082 -0.4668 -0.4645 0.0250 0.0342 0.9717 0.9780 0.9919 0.9926 1.2853 1.2870 2.0005 2.0028 2.2228 2.2277 2.6008 2.6033 3.3053 3.3065 3.3559 3.3602 3.8456 3.8497 4.2263 4.2280 4.5786 4.5828 4.5879 4.5895 11.9077 11.9096 11.9943 12.0050 12.4733 12.4733 12.9219 12.9322 13.4067 13.4084 k =-0.3458 0.5586 0.3422 ( 4340 PWs) bands (ev): -13.2856 -13.2855 -13.1623 -13.1622 -10.9193 -10.9188 -9.6582 -9.6555 -9.6499 -9.6495 -8.9827 -8.9778 -2.7228 -2.7218 -2.3303 -2.3279 -1.7319 -1.7317 -1.5636 -1.5629 -0.4009 -0.3990 0.1002 0.1093 0.9861 0.9867 0.9947 1.0012 1.2398 1.2416 2.0111 2.0136 2.1698 2.1757 2.5991 2.6017 3.3218 3.3227 3.3542 3.3584 3.8686 3.8728 4.2281 4.2298 4.5572 4.5611 4.5659 4.5674 11.8829 11.8852 12.0206 12.0314 12.4736 12.4737 12.9259 12.9366 13.3512 13.3537 k =-0.3458 0.5586 0.3585 ( 4344 PWs) bands (ev): -13.2802 -13.2801 -13.1661 -13.1661 -10.8801 -10.8796 -9.7170 -9.7143 -9.6283 -9.6279 -9.0113 -9.0067 -2.6705 -2.6694 -2.3274 -2.3252 -1.7594 -1.7593 -1.6173 -1.6168 -0.3327 -0.3312 0.1728 0.1816 0.9791 0.9792 1.0146 1.0204 1.1975 1.1988 2.0249 2.0276 2.1149 2.1217 2.5946 2.5974 3.3341 3.3349 3.3553 3.3593 3.8928 3.8970 4.2308 4.2325 4.5345 4.5383 4.5438 4.5452 11.8643 11.8669 12.0509 12.0617 12.4743 12.4744 12.9246 12.9356 13.2884 13.2918 k =-0.3458 0.5586 0.3748 ( 4346 PWs) bands (ev): -13.2747 -13.2746 -13.1701 -13.1701 -10.8394 -10.8388 -9.7762 -9.7737 -9.6055 -9.6052 -9.0405 -9.0362 -2.6187 -2.6176 -2.3215 -2.3195 -1.7883 -1.7882 -1.6700 -1.6695 -0.2623 -0.2614 0.2424 0.2511 0.9693 0.9699 1.0259 1.0293 1.1648 1.1659 2.0419 2.0447 2.0584 2.0661 2.5872 2.5900 3.3401 3.3415 3.3611 3.3642 3.9182 3.9224 4.2345 4.2362 4.5105 4.5143 4.5219 4.5229 11.8524 11.8553 12.0849 12.0957 12.4738 12.4739 12.9173 12.9284 13.2216 13.2258 k =-0.3458 0.5586 0.3911 ( 4347 PWs) bands (ev): -13.2692 -13.2691 -13.1743 -13.1743 -10.7971 -10.7965 -9.8356 -9.8332 -9.5819 -9.5818 -9.0700 -9.0660 -2.5675 -2.5664 -2.3127 -2.3109 -1.8184 -1.8184 -1.7214 -1.7210 -0.1902 -0.1898 0.3090 0.3174 0.9574 0.9585 1.0148 1.0154 1.1529 1.1579 2.0005 2.0091 2.0623 2.0652 2.5767 2.5795 3.3424 3.3443 3.3692 3.3713 3.9448 3.9490 4.2392 4.2408 4.4853 4.4892 4.5002 4.5009 11.8474 11.8506 12.1222 12.1330 12.4701 12.4701 12.9035 12.9147 13.1557 13.1604 k =-0.3458 0.5586 0.4074 ( 4341 PWs) bands (ev): -13.2636 -13.2634 -13.1787 -13.1786 -10.7534 -10.7526 -9.8950 -9.8927 -9.5576 -9.5575 -9.0999 -9.0961 -2.5170 -2.5159 -2.3009 -2.2992 -1.8499 -1.8499 -1.7714 -1.7711 -0.1167 -0.1166 0.3721 0.3802 0.9434 0.9448 0.9768 0.9800 1.1659 1.1736 1.9418 1.9512 2.0857 2.0887 2.5628 2.5658 3.3441 3.3461 3.3763 3.3779 3.9725 3.9767 4.2450 4.2466 4.4589 4.4628 4.4789 4.4793 11.8496 11.8531 12.1626 12.1734 12.4607 12.4609 12.8831 12.8943 13.0958 13.1007 k =-0.3458 0.5586 0.4237 ( 4343 PWs) bands (ev): -13.2579 -13.2578 -13.1832 -13.1831 -10.7081 -10.7073 -9.9543 -9.9521 -9.5326 -9.5323 -9.1299 -9.1264 -2.4673 -2.4663 -2.2862 -2.2848 -1.8828 -1.8827 -1.8200 -1.8197 -0.0426 -0.0419 0.4318 0.4396 0.9256 0.9271 0.9304 0.9313 1.1924 1.2013 1.8827 1.8928 2.1120 2.1150 2.5457 2.5487 3.3461 3.3481 3.3817 3.3830 4.0013 4.0054 4.2518 4.2534 4.4316 4.4355 4.4580 4.4581 11.8590 11.8627 12.2057 12.2164 12.4430 12.4437 12.8565 12.8676 13.0465 13.0512 k =-0.3458 0.5586 0.4400 ( 4338 PWs) bands (ev): -13.2522 -13.2521 -13.1879 -13.1878 -10.6615 -10.6606 -10.0132 -10.0112 -9.5069 -9.5064 -9.1601 -9.1569 -2.4185 -2.4175 -2.2688 -2.2675 -1.9169 -1.9167 -1.8669 -1.8667 0.0323 0.0336 0.4878 0.4953 0.8708 0.8759 0.9090 0.9116 1.2254 1.2351 1.8236 1.8342 2.1410 2.1441 2.5252 2.5283 3.3488 3.3506 3.3852 3.3862 4.0310 4.0350 4.2598 4.2613 4.4033 4.4071 4.4376 4.4376 11.8756 11.8794 12.2512 12.2619 12.4152 12.4164 12.8241 12.8351 13.0111 13.0153 k =-0.3458 0.5586 0.4563 ( 4344 PWs) bands (ev): -13.2465 -13.2464 -13.1927 -13.1926 -10.6134 -10.6125 -10.0718 -10.0699 -9.4805 -9.4798 -9.1904 -9.1874 -2.3707 -2.3697 -2.2486 -2.2475 -1.9522 -1.9520 -1.9122 -1.9119 0.1077 0.1095 0.5402 0.5473 0.8114 0.8167 0.8885 0.8915 1.2624 1.2727 1.7647 1.7758 2.1723 2.1754 2.5017 2.5047 3.3522 3.3538 3.3867 3.3876 4.0614 4.0653 4.2688 4.2703 4.3742 4.3780 4.4177 4.4179 11.8991 11.9031 12.2986 12.3093 12.3771 12.3788 12.7867 12.7975 12.9907 12.9944 k =-0.3458 0.5586 0.4726 ( 4343 PWs) bands (ev): -13.2409 -13.2408 -13.1976 -13.1976 -10.5641 -10.5631 -10.1298 -10.1280 -9.4534 -9.4526 -9.2206 -9.2179 -2.3239 -2.3229 -2.2257 -2.2247 -1.9888 -1.9885 -1.9556 -1.9553 0.1830 0.1854 0.5890 0.5958 0.7492 0.7545 0.8658 0.8693 1.3026 1.3132 1.7067 1.7181 2.2055 2.2086 2.4752 2.4782 3.3561 3.3576 3.3866 3.3874 4.0925 4.0963 4.2790 4.2803 4.3443 4.3480 4.3985 4.3990 11.9294 11.9335 12.3289 12.3323 12.3488 12.3584 12.7452 12.7558 12.9847 12.9877 k =-0.3458 0.5586 0.4889 ( 4347 PWs) bands (ev): -13.2352 -13.2351 -13.2027 -13.2026 -10.5135 -10.5124 -10.1873 -10.1856 -9.4258 -9.4248 -9.2508 -9.2483 -2.2781 -2.2772 -2.2003 -2.1994 -2.0266 -2.0263 -1.9970 -1.9967 0.2581 0.2611 0.6343 0.6406 0.6845 0.6897 0.8408 0.8447 1.3454 1.3564 1.6497 1.6613 2.2400 2.2432 2.4460 2.4491 3.3605 3.3618 3.3851 3.3858 4.1240 4.1278 4.2903 4.2914 4.3139 4.3175 4.3802 4.3808 11.9661 11.9703 12.2764 12.2796 12.3984 12.4088 12.7002 12.7107 12.9907 12.9932 k =-0.3458 0.5586 0.5052 ( 4339 PWs) bands (ev): -13.2296 -13.2295 -13.2079 -13.2078 -10.4617 -10.4605 -10.2440 -10.2424 -9.3977 -9.3964 -9.2808 -9.2785 -2.2333 -2.2325 -2.1723 -2.1716 -2.0656 -2.0652 -2.0365 -2.0361 0.3325 0.3360 0.6175 0.6226 0.6764 0.6823 0.8134 0.8177 1.3907 1.4020 1.5941 1.6059 2.2755 2.2786 2.4146 2.4177 3.3652 3.3663 3.3824 3.3831 4.1557 4.1595 4.2825 4.2864 4.3027 4.3040 4.3627 4.3635 12.0086 12.0128 12.2202 12.2238 12.4496 12.4599 12.6526 12.6631 13.0061 13.0081 k =-0.3458 0.5586 0.5215 ( 4340 PWs) bands (ev): -13.2241 -13.2240 -13.2132 -13.2131 -10.4088 -10.4075 -10.2998 -10.2983 -9.3690 -9.3675 -9.3105 -9.3085 -2.1897 -2.1890 -2.1419 -2.1413 -2.1057 -2.1052 -2.0738 -2.0734 0.4059 0.4099 0.5487 0.5535 0.7150 0.7205 0.7834 0.7881 1.4383 1.4499 1.5402 1.5520 2.3112 2.3143 2.3813 2.3844 3.3699 3.3709 3.3788 3.3796 4.1876 4.1914 4.2512 4.2550 4.3161 4.3173 4.3462 4.3471 12.0564 12.0605 12.1635 12.1674 12.5011 12.5114 12.6032 12.6136 13.0287 13.0304 k =-0.3458 0.5586 0.5378 ( 4346 PWs) bands (ev): -13.2186 -13.2186 -13.2185 -13.2185 -10.3548 -10.3548 -10.3534 -10.3534 -9.3400 -9.3400 -9.3382 -9.3382 -2.1473 -2.1473 -2.1467 -2.1467 -2.1089 -2.1089 -2.1083 -2.1083 0.4781 0.4781 0.4825 0.4825 0.7506 0.7506 0.7557 0.7557 1.4882 1.4882 1.5000 1.5000 2.3467 2.3467 2.3498 2.3498 3.3745 3.3745 3.3754 3.3754 4.2195 4.2195 4.2232 4.2232 4.3307 4.3307 4.3317 4.3317 12.1084 12.1084 12.1124 12.1124 12.5525 12.5525 12.5628 12.5628 13.0567 13.0567 k =-0.3458 0.5586 0.5378 ( 4346 PWs) bands (ev): -13.2186 -13.2186 -13.2185 -13.2185 -10.3548 -10.3548 -10.3534 -10.3534 -9.3400 -9.3400 -9.3382 -9.3382 -2.1473 -2.1473 -2.1467 -2.1467 -2.1089 -2.1089 -2.1083 -2.1083 0.4781 0.4781 0.4825 0.4825 0.7506 0.7506 0.7557 0.7557 1.4882 1.4882 1.5000 1.5000 2.3467 2.3467 2.3498 2.3498 3.3745 3.3745 3.3754 3.3754 4.2195 4.2195 4.2232 4.2232 4.3307 4.3307 4.3317 4.3317 12.1084 12.1084 12.1124 12.1124 12.5525 12.5525 12.5628 12.5628 13.0567 13.0567 k =-0.3543 0.5448 0.5378 ( 4336 PWs) bands (ev): -13.2156 -13.2156 -13.2155 -13.2155 -10.3831 -10.3831 -10.3817 -10.3817 -9.3083 -9.3083 -9.3066 -9.3066 -2.1809 -2.1809 -2.1803 -2.1803 -2.1080 -2.1080 -2.1073 -2.1073 0.4968 0.4968 0.5012 0.5012 0.7573 0.7573 0.7621 0.7621 1.4949 1.4949 1.5065 1.5065 2.3597 2.3597 2.3627 2.3627 3.3650 3.3650 3.3661 3.3661 4.1934 4.1934 4.1972 4.1972 4.3606 4.3606 4.3616 4.3616 12.0555 12.0555 12.0595 12.0595 12.5415 12.5415 12.5513 12.5513 13.0887 13.0887 k =-0.3629 0.5310 0.5378 ( 4328 PWs) bands (ev): -13.2127 -13.2127 -13.2126 -13.2126 -10.4099 -10.4099 -10.4086 -10.4086 -9.2773 -9.2773 -9.2757 -9.2757 -2.2504 -2.2504 -2.2497 -2.2497 -2.0711 -2.0711 -2.0704 -2.0704 0.5135 0.5135 0.5179 0.5179 0.7639 0.7639 0.7684 0.7684 1.5025 1.5025 1.5138 1.5138 2.3737 2.3737 2.3764 2.3764 3.3547 3.3547 3.3559 3.3559 4.1689 4.1689 4.1726 4.1726 4.3910 4.3910 4.3920 4.3920 12.0031 12.0031 12.0070 12.0070 12.5295 12.5295 12.5388 12.5388 13.1215 13.1215 k =-0.3715 0.5171 0.5378 ( 4332 PWs) bands (ev): -13.2100 -13.2100 -13.2099 -13.2099 -10.4353 -10.4353 -10.4341 -10.4341 -9.2472 -9.2472 -9.2456 -9.2456 -2.3174 -2.3174 -2.3166 -2.3166 -2.0363 -2.0363 -2.0356 -2.0356 0.5283 0.5283 0.5327 0.5327 0.7702 0.7702 0.7744 0.7744 1.5108 1.5108 1.5218 1.5218 2.3883 2.3883 2.3909 2.3909 3.3436 3.3436 3.3449 3.3449 4.1458 4.1458 4.1495 4.1495 4.4217 4.4217 4.4227 4.4227 11.9519 11.9519 11.9556 11.9556 12.5173 12.5173 12.5260 12.5260 13.1543 13.1543 k =-0.3800 0.5033 0.5378 ( 4336 PWs) bands (ev): -13.2074 -13.2074 -13.2074 -13.2074 -10.4591 -10.4591 -10.4580 -10.4580 -9.2180 -9.2180 -9.2165 -9.2165 -2.3815 -2.3815 -2.3807 -2.3807 -2.0037 -2.0037 -2.0030 -2.0030 0.5414 0.5414 0.5457 0.5457 0.7764 0.7764 0.7803 0.7803 1.5197 1.5197 1.5303 1.5303 2.4035 2.4035 2.4059 2.4059 3.3319 3.3319 3.3332 3.3332 4.1244 4.1244 4.1280 4.1280 4.4523 4.4523 4.4533 4.4533 11.9022 11.9022 11.9058 11.9058 12.5054 12.5054 12.5135 12.5135 13.1865 13.1865 k =-0.3886 0.4894 0.5378 ( 4340 PWs) bands (ev): -13.2051 -13.2051 -13.2050 -13.2050 -10.4814 -10.4814 -10.4804 -10.4804 -9.1900 -9.1900 -9.1885 -9.1885 -2.4425 -2.4425 -2.4417 -2.4417 -1.9733 -1.9733 -1.9726 -1.9726 0.5529 0.5529 0.5570 0.5570 0.7823 0.7823 0.7859 0.7859 1.5289 1.5289 1.5391 1.5391 2.4191 2.4191 2.4213 2.4213 3.3195 3.3195 3.3209 3.3209 4.1045 4.1045 4.1080 4.1080 4.4827 4.4827 4.4837 4.4837 11.8547 11.8547 11.8581 11.8581 12.4941 12.4941 12.5017 12.5017 13.2176 13.2177 k =-0.3972 0.4756 0.5378 ( 4340 PWs) bands (ev): -13.2029 -13.2029 -13.2028 -13.2028 -10.5022 -10.5022 -10.5012 -10.5012 -9.1632 -9.1632 -9.1618 -9.1618 -2.5002 -2.5002 -2.4994 -2.4994 -1.9451 -1.9451 -1.9445 -1.9445 0.5629 0.5629 0.5668 0.5668 0.7880 0.7880 0.7913 0.7913 1.5383 1.5383 1.5479 1.5479 2.4349 2.4349 2.4369 2.4369 3.3068 3.3068 3.3081 3.3081 4.0862 4.0862 4.0896 4.0896 4.5126 4.5126 4.5135 4.5135 11.8097 11.8097 11.8128 11.8128 12.4840 12.4840 12.4910 12.4910 13.2475 13.2475 k =-0.4058 0.4617 0.5378 ( 4342 PWs) bands (ev): -13.2008 -13.2008 -13.2008 -13.2008 -10.5213 -10.5213 -10.5204 -10.5204 -9.1379 -9.1379 -9.1366 -9.1366 -2.5543 -2.5543 -2.5535 -2.5535 -1.9192 -1.9192 -1.9185 -1.9185 0.5716 0.5716 0.5753 0.5753 0.7934 0.7934 0.7964 0.7964 1.5476 1.5476 1.5566 1.5566 2.4506 2.4506 2.4525 2.4525 3.2938 3.2938 3.2951 3.2951 4.0696 4.0696 4.0728 4.0728 4.5415 4.5415 4.5424 4.5424 11.7673 11.7673 11.7702 11.7702 12.4752 12.4752 12.4816 12.4816 13.2756 13.2756 k =-0.4143 0.4479 0.5378 ( 4330 PWs) bands (ev): -13.1989 -13.1989 -13.1989 -13.1989 -10.5389 -10.5389 -10.5381 -10.5381 -9.1141 -9.1141 -9.1129 -9.1129 -2.6045 -2.6045 -2.6038 -2.6038 -1.8954 -1.8954 -1.8949 -1.8949 0.5790 0.5790 0.5825 0.5825 0.7984 0.7984 0.8011 0.8011 1.5567 1.5567 1.5650 1.5650 2.4662 2.4662 2.4680 2.4680 3.2807 3.2807 3.2820 3.2820 4.0546 4.0546 4.0576 4.0576 4.5693 4.5693 4.5701 4.5701 11.7280 11.7280 11.7307 11.7307 12.4679 12.4679 12.4737 12.4737 13.3019 13.3019 k =-0.4229 0.4341 0.5378 ( 4326 PWs) bands (ev): -13.1972 -13.1972 -13.1972 -13.1972 -10.5548 -10.5548 -10.5541 -10.5541 -9.0921 -9.0921 -9.0909 -9.0909 -2.6508 -2.6508 -2.6501 -2.6501 -1.8740 -1.8740 -1.8734 -1.8734 0.5854 0.5854 0.5886 0.5886 0.8031 0.8031 0.8055 0.8055 1.5654 1.5654 1.5730 1.5730 2.4814 2.4814 2.4830 2.4830 3.2678 3.2678 3.2690 3.2690 4.0411 4.0411 4.0439 4.0439 4.5956 4.5956 4.5963 4.5963 11.6919 11.6919 11.6943 11.6943 12.4622 12.4622 12.4675 12.4675 13.3260 13.3260 k =-0.4315 0.4202 0.5378 ( 4334 PWs) bands (ev): -13.1957 -13.1957 -13.1957 -13.1957 -10.5691 -10.5691 -10.5685 -10.5685 -9.0719 -9.0719 -9.0709 -9.0709 -2.6927 -2.6927 -2.6921 -2.6921 -1.8548 -1.8548 -1.8543 -1.8543 0.5909 0.5909 0.5938 0.5938 0.8074 0.8074 0.8095 0.8095 1.5736 1.5736 1.5804 1.5804 2.4959 2.4959 2.4973 2.4973 3.2552 3.2552 3.2563 3.2563 4.0292 4.0292 4.0318 4.0318 4.6201 4.6201 4.6208 4.6208 11.6591 11.6591 11.6613 11.6613 12.4582 12.4582 12.4629 12.4629 13.3479 13.3480 k =-0.4400 0.4064 0.5378 ( 4354 PWs) bands (ev): -13.1944 -13.1944 -13.1943 -13.1943 -10.5818 -10.5818 -10.5812 -10.5812 -9.0537 -9.0537 -9.0528 -9.0528 -2.7302 -2.7302 -2.7296 -2.7296 -1.8378 -1.8378 -1.8374 -1.8374 0.5955 0.5955 0.5980 0.5980 0.8112 0.8112 0.8131 0.8131 1.5811 1.5811 1.5872 1.5872 2.5095 2.5095 2.5108 2.5108 3.2432 3.2432 3.2442 3.2442 4.0189 4.0189 4.0211 4.0211 4.6425 4.6425 4.6431 4.6431 11.6299 11.6299 11.6318 11.6318 12.4557 12.4557 12.4598 12.4598 13.3674 13.3675 k =-0.4486 0.3925 0.5378 ( 4354 PWs) bands (ev): -13.1932 -13.1932 -13.1932 -13.1932 -10.5928 -10.5928 -10.5923 -10.5923 -9.0377 -9.0377 -9.0369 -9.0369 -2.7631 -2.7631 -2.7626 -2.7626 -1.8231 -1.8231 -1.8227 -1.8227 0.5993 0.5993 0.6015 0.6015 0.8147 0.8147 0.8163 0.8163 1.5878 1.5878 1.5931 1.5931 2.5221 2.5221 2.5231 2.5231 3.2322 3.2322 3.2330 3.2330 4.0100 4.0100 4.0119 4.0119 4.6626 4.6626 4.6631 4.6631 11.6044 11.6044 11.6060 11.6060 12.4545 12.4545 12.4580 12.4580 13.3844 13.3845 k =-0.4572 0.3787 0.5378 ( 4362 PWs) bands (ev): -13.1922 -13.1922 -13.1922 -13.1922 -10.6021 -10.6021 -10.6016 -10.6016 -9.0239 -9.0239 -9.0233 -9.0233 -2.7912 -2.7912 -2.7908 -2.7908 -1.8107 -1.8107 -1.8104 -1.8104 0.6024 0.6024 0.6043 0.6043 0.8176 0.8176 0.8190 0.8190 1.5938 1.5938 1.5982 1.5982 2.5332 2.5332 2.5341 2.5341 3.2222 3.2222 3.2229 3.2229 4.0026 4.0026 4.0042 4.0042 4.6800 4.6800 4.6804 4.6804 11.5826 11.5826 11.5839 11.5839 12.4544 12.4544 12.4574 12.4574 13.3989 13.3990 k =-0.4657 0.3648 0.5378 ( 4370 PWs) bands (ev): -13.1914 -13.1914 -13.1914 -13.1914 -10.6097 -10.6097 -10.6093 -10.6093 -9.0125 -9.0125 -9.0120 -9.0120 -2.8144 -2.8144 -2.8140 -2.8140 -1.8005 -1.8005 -1.8002 -1.8002 0.6050 0.6050 0.6065 0.6065 0.8201 0.8201 0.8212 0.8212 1.5988 1.5988 1.6024 1.6024 2.5428 2.5428 2.5435 2.5435 3.2136 3.2136 3.2142 3.2142 3.9966 3.9966 3.9979 3.9979 4.6946 4.6946 4.6950 4.6950 11.5647 11.5647 11.5658 11.5658 12.4551 12.4551 12.4574 12.4574 13.4109 13.4109 k =-0.4743 0.3510 0.5378 ( 4362 PWs) bands (ev): -13.1908 -13.1908 -13.1908 -13.1908 -10.6156 -10.6156 -10.6153 -10.6153 -9.0035 -9.0035 -9.0031 -9.0031 -2.8325 -2.8325 -2.8322 -2.8322 -1.7926 -1.7926 -1.7924 -1.7924 0.6069 0.6069 0.6081 0.6081 0.8221 0.8221 0.8229 0.8229 1.6028 1.6028 1.6055 1.6055 2.5505 2.5505 2.5511 2.5511 3.2067 3.2067 3.2071 3.2071 3.9920 3.9920 3.9930 3.9930 4.7062 4.7062 4.7065 4.7065 11.5507 11.5507 11.5515 11.5515 12.4561 12.4561 12.4579 12.4579 13.4202 13.4203 k =-0.4829 0.3372 0.5378 ( 4364 PWs) bands (ev): -13.1903 -13.1903 -13.1903 -13.1903 -10.6198 -10.6198 -10.6197 -10.6197 -8.9970 -8.9970 -8.9967 -8.9967 -2.8455 -2.8455 -2.8453 -2.8453 -1.7869 -1.7869 -1.7868 -1.7868 0.6083 0.6083 0.6091 0.6091 0.8236 0.8236 0.8241 0.8241 1.6059 1.6059 1.6077 1.6077 2.5562 2.5562 2.5566 2.5566 3.2016 3.2016 3.2019 3.2019 3.9888 3.9888 3.9894 3.9894 4.7146 4.7146 4.7148 4.7148 11.5407 11.5407 11.5412 11.5412 12.4573 12.4573 12.4585 12.4585 13.4269 13.4269 k =-0.4914 0.3233 0.5378 ( 4372 PWs) bands (ev): -13.1901 -13.1901 -13.1900 -13.1900 -10.6223 -10.6223 -10.6223 -10.6223 -8.9931 -8.9931 -8.9929 -8.9929 -2.8533 -2.8533 -2.8532 -2.8532 -1.7835 -1.7835 -1.7834 -1.7834 0.6093 0.6093 0.6096 0.6096 0.8245 0.8245 0.8248 0.8248 1.6079 1.6079 1.6088 1.6088 2.5598 2.5598 2.5599 2.5599 3.1985 3.1985 3.1986 3.1986 3.9869 3.9869 3.9872 3.9872 4.7197 4.7197 4.7198 4.7198 11.5347 11.5347 11.5350 11.5350 12.4582 12.4582 12.4588 12.4588 13.4309 13.4309 k =-0.5000 0.3095 0.5378 ( 4376 PWs) bands (ev): -13.1900 -13.1900 -13.1900 -13.1900 -10.6231 -10.6231 -10.6231 -10.6231 -8.9917 -8.9917 -8.9917 -8.9917 -2.8559 -2.8559 -2.8559 -2.8559 -1.7823 -1.7823 -1.7823 -1.7823 0.6097 0.6097 0.6097 0.6097 0.8249 0.8249 0.8249 0.8249 1.6089 1.6089 1.6089 1.6089 2.5610 2.5610 2.5610 2.5610 3.1975 3.1975 3.1975 3.1975 3.9864 3.9864 3.9864 3.9864 4.7214 4.7214 4.7214 4.7214 11.5328 11.5328 11.5328 11.5328 12.4587 12.4587 12.4587 12.4587 13.4322 13.4322 k =-0.5000 0.3095 0.5378 ( 4376 PWs) bands (ev): -13.1900 -13.1900 -13.1900 -13.1900 -10.6231 -10.6231 -10.6231 -10.6231 -8.9917 -8.9917 -8.9917 -8.9917 -2.8559 -2.8559 -2.8559 -2.8559 -1.7823 -1.7823 -1.7823 -1.7823 0.6097 0.6097 0.6097 0.6097 0.8249 0.8249 0.8249 0.8249 1.6089 1.6089 1.6089 1.6089 2.5610 2.5610 2.5610 2.5610 3.1975 3.1975 3.1975 3.1975 3.9864 3.9864 3.9864 3.9864 4.7214 4.7214 4.7214 4.7214 11.5328 11.5328 11.5328 11.5328 12.4587 12.4587 12.4587 12.4587 13.4322 13.4322 k =-0.5000 0.3095 0.5215 ( 4376 PWs) bands (ev): -13.1942 -13.1942 -13.1858 -13.1858 -10.6796 -10.6796 -10.5656 -10.5656 -8.9942 -8.9942 -8.9894 -8.9894 -2.8555 -2.8555 -2.8532 -2.8532 -1.8265 -1.8265 -1.7408 -1.7408 0.5193 0.5193 0.6998 0.6998 0.8224 0.8224 0.8254 0.8254 1.5852 1.5852 1.6357 1.6357 2.5559 2.5559 2.5637 2.5637 3.1818 3.1818 3.2108 3.2108 3.9599 3.9599 4.0136 4.0136 4.7207 4.7207 4.7230 4.7230 11.5258 11.5258 11.5483 11.5483 12.4548 12.4548 12.4592 12.4592 13.3904 13.3904 k =-0.5000 0.3095 0.5052 ( 4364 PWs) bands (ev): -13.1985 -13.1985 -13.1816 -13.1816 -10.7349 -10.7349 -10.5070 -10.5070 -8.9968 -8.9968 -8.9874 -8.9874 -2.8521 -2.8521 -2.8474 -2.8474 -1.8735 -1.8735 -1.7018 -1.7018 0.4296 0.4296 0.7879 0.7879 0.8176 0.8176 0.8238 0.8238 1.5657 1.5657 1.6647 1.6647 2.5482 2.5482 2.5641 2.5641 3.1638 3.1638 3.2219 3.2219 3.9344 3.9344 4.0414 4.0414 4.7209 4.7209 4.7254 4.7254 11.5270 11.5270 11.5721 11.5721 12.4472 12.4472 12.4564 12.4564 13.3480 13.3480 k =-0.5000 0.3095 0.4889 ( 4364 PWs) bands (ev): -13.2029 -13.2029 -13.1776 -13.1776 -10.7890 -10.7890 -10.4475 -10.4475 -8.9996 -8.9996 -8.9855 -8.9855 -2.8455 -2.8455 -2.8385 -2.8385 -1.9233 -1.9233 -1.6652 -1.6652 0.3416 0.3416 0.8105 0.8105 0.8201 0.8201 0.8721 0.8721 1.5524 1.5524 1.6953 1.6953 2.5382 2.5382 2.5622 2.5622 3.1433 3.1433 3.2311 3.2311 3.9099 3.9099 4.0694 4.0694 4.7221 4.7221 4.7285 4.7285 11.5362 11.5362 11.6045 11.6045 12.4358 12.4358 12.4509 12.4509 13.3057 13.3057 k =-0.5000 0.3095 0.4726 ( 4364 PWs) bands (ev): -13.2072 -13.2072 -13.1736 -13.1736 -10.8417 -10.8417 -10.3872 -10.3872 -9.0027 -9.0027 -8.9839 -8.9839 -2.8358 -2.8358 -2.8266 -2.8266 -1.9761 -1.9761 -1.6310 -1.6310 0.2559 0.2559 0.8010 0.8010 0.8145 0.8145 0.9490 0.9490 1.5479 1.5479 1.7271 1.7271 2.5256 2.5256 2.5582 2.5582 3.1207 3.1207 3.2386 3.2386 3.8866 3.8866 4.0974 4.0974 4.7242 4.7242 4.7324 4.7324 11.5529 11.5529 11.6453 11.6453 12.4207 12.4207 12.4431 12.4431 13.2637 13.2637 k =-0.5000 0.3095 0.4563 ( 4360 PWs) bands (ev): -13.2116 -13.2116 -13.1697 -13.1697 -10.8931 -10.8931 -10.3261 -10.3261 -9.0058 -9.0058 -8.9825 -8.9825 -2.8231 -2.8231 -2.8117 -2.8117 -2.0317 -2.0317 -1.5989 -1.5989 0.1730 0.1730 0.7888 0.7888 0.8069 0.8069 1.0146 1.0146 1.5561 1.5561 1.7598 1.7598 2.5105 2.5105 2.5522 2.5522 3.0962 3.0962 3.2447 3.2447 3.8643 3.8643 4.1252 4.1252 4.7274 4.7274 4.7368 4.7368 11.5768 11.5768 11.6944 11.6944 12.4019 12.4019 12.4334 12.4334 13.2227 13.2227 k =-0.5000 0.3095 0.4400 ( 4356 PWs) bands (ev): -13.2160 -13.2160 -13.1660 -13.1660 -10.9431 -10.9431 -10.2644 -10.2644 -9.0092 -9.0092 -8.9813 -8.9813 -2.8074 -2.8074 -2.7939 -2.7939 -2.0902 -2.0902 -1.5689 -1.5689 0.0932 0.0932 0.7739 0.7739 0.7973 0.7973 1.0647 1.0647 1.5808 1.5808 1.7932 1.7932 2.4931 2.4931 2.5445 2.5445 3.0701 3.0701 3.2498 3.2498 3.8432 3.8432 4.1525 4.1525 4.7317 4.7317 4.7419 4.7419 11.6074 11.6074 11.7517 11.7517 12.3799 12.3799 12.4223 12.4223 13.1831 13.1831 k =-0.5000 0.3095 0.4237 ( 4356 PWs) bands (ev): -13.2204 -13.2204 -13.1623 -13.1623 -10.9916 -10.9916 -10.2021 -10.2021 -9.0126 -9.0126 -8.9802 -8.9802 -2.7887 -2.7887 -2.7732 -2.7732 -2.1515 -2.1515 -1.5409 -1.5409 0.0170 0.0170 0.7560 0.7560 0.7855 0.7855 1.0971 1.0971 1.6238 1.6238 1.8270 1.8270 2.4732 2.4732 2.5353 2.5353 3.0430 3.0430 3.2540 3.2540 3.8230 3.8230 4.1791 4.1791 4.7371 4.7371 4.7474 4.7474 11.6438 11.6438 11.8167 11.8167 12.3549 12.3549 12.4103 12.4103 13.1457 13.1457 k =-0.5000 0.3095 0.4074 ( 4362 PWs) bands (ev): -13.2248 -13.2248 -13.1587 -13.1587 -11.0386 -11.0386 -10.1395 -10.1395 -9.0162 -9.0162 -8.9794 -8.9794 -2.7670 -2.7670 -2.7497 -2.7497 -2.2156 -2.2156 -1.5146 -1.5146 -0.0555 -0.0555 0.7349 0.7349 0.7716 0.7716 1.1131 1.1131 1.6835 1.6835 1.8610 1.8610 2.4511 2.4511 2.5250 2.5250 3.0152 3.0152 3.2576 3.2576 3.8037 3.8037 4.2048 4.2048 4.7437 4.7437 4.7535 4.7535 11.6855 11.6855 11.8894 11.8894 12.3275 12.3275 12.3976 12.3976 13.1111 13.1111 k =-0.5000 0.3095 0.3911 ( 4360 PWs) bands (ev): -13.2291 -13.2291 -13.1553 -13.1553 -11.0841 -11.0841 -10.0766 -10.0766 -9.0199 -9.0199 -8.9787 -8.9787 -2.7425 -2.7425 -2.7235 -2.7235 -2.2820 -2.2820 -1.4901 -1.4901 -0.1241 -0.1241 0.7106 0.7106 0.7554 0.7554 1.1164 1.1164 1.7558 1.7558 1.8952 1.8952 2.4269 2.4269 2.5139 2.5139 2.9873 2.9873 3.2607 3.2607 3.7852 3.7852 4.2294 4.2294 4.7514 4.7514 4.7599 4.7599 11.7314 11.7314 11.9693 11.9693 12.2982 12.2982 12.3847 12.3847 13.0799 13.0799 k =-0.5000 0.3095 0.3748 ( 4358 PWs) bands (ev): -13.2333 -13.2333 -13.1520 -13.1520 -11.1280 -11.1280 -10.0136 -10.0136 -9.0236 -9.0236 -8.9783 -8.9783 -2.7152 -2.7152 -2.6947 -2.6947 -2.3508 -2.3508 -1.4672 -1.4672 -0.1887 -0.1887 0.6829 0.6829 0.7367 0.7367 1.1111 1.1111 1.8361 1.8361 1.9293 1.9293 2.4007 2.4007 2.5024 2.5024 2.9598 2.9598 3.2636 3.2636 3.7673 3.7673 4.2528 4.2528 4.7603 4.7603 4.7668 4.7668 11.7806 11.7806 12.0560 12.0560 12.2673 12.2673 12.3719 12.3719 13.0531 13.0531 k =-0.5000 0.3095 0.3585 ( 4354 PWs) bands (ev): -13.2376 -13.2376 -13.1488 -13.1488 -11.1702 -11.1702 -9.9506 -9.9506 -9.0274 -9.0274 -8.9779 -8.9779 -2.6852 -2.6852 -2.6633 -2.6633 -2.4215 -2.4215 -1.4458 -1.4458 -0.2493 -0.2493 0.6517 0.6517 0.7156 0.7156 1.1003 1.1003 1.9208 1.9208 1.9635 1.9635 2.3730 2.3730 2.4908 2.4908 2.9329 2.9329 3.2663 3.2663 3.7499 3.7499 4.2748 4.2748 4.7704 4.7704 4.7739 4.7739 11.8316 11.8316 12.1491 12.1491 12.2355 12.2355 12.3596 12.3596 13.0316 13.0316 k =-0.5000 0.3095 0.3422 ( 4362 PWs) bands (ev): -13.2417 -13.2417 -13.1458 -13.1458 -11.2108 -11.2108 -9.8879 -9.8879 -9.0313 -9.0313 -8.9778 -8.9778 -2.6526 -2.6526 -2.6296 -2.6296 -2.4938 -2.4938 -1.4259 -1.4259 -0.3060 -0.3060 0.6170 0.6170 0.6918 0.6918 1.0863 1.0863 1.9939 1.9939 2.0110 2.0110 2.3440 2.3440 2.4795 2.4795 2.9071 2.9071 3.2688 3.2688 3.7331 3.7331 4.2955 4.2955 4.7807 4.7807 4.7823 4.7823 11.8831 11.8831 12.2029 12.2029 12.2482 12.2482 12.3480 12.3480 13.0164 13.0164 k =-0.5000 0.3095 0.3259 ( 4360 PWs) bands (ev): -13.2457 -13.2457 -13.1429 -13.1429 -11.2497 -11.2497 -9.8255 -9.8255 -9.0351 -9.0351 -8.9777 -8.9777 -2.6175 -2.6175 -2.5936 -2.5936 -2.5672 -2.5672 -1.4074 -1.4074 -0.3587 -0.3587 0.5788 0.5788 0.6654 0.6654 1.0704 1.0704 2.0285 2.0285 2.0969 2.0969 2.3142 2.3142 2.4687 2.4687 2.8825 2.8825 3.2712 3.2712 3.7167 3.7167 4.3147 4.3147 4.7884 4.7884 4.7945 4.7945 11.9336 11.9336 12.1703 12.1703 12.3369 12.3369 12.3528 12.3528 13.0087 13.0087 k =-0.5000 0.3095 0.3096 ( 4346 PWs) bands (ev): -13.2497 -13.2497 -13.1401 -13.1401 -11.2868 -11.2868 -9.7637 -9.7637 -9.0390 -9.0390 -8.9778 -8.9778 -2.6416 -2.6416 -2.5800 -2.5800 -2.5556 -2.5556 -1.3901 -1.3901 -0.4077 -0.4077 0.5371 0.5371 0.6362 0.6362 1.0535 1.0535 2.0611 2.0611 2.1834 2.1834 2.2840 2.2840 2.4589 2.4589 2.8592 2.8592 3.2735 3.2735 3.7007 3.7007 4.3324 4.3324 4.7960 4.7960 4.8082 4.8082 11.9813 11.9813 12.1378 12.1378 12.3277 12.3277 12.4616 12.4616 13.0097 13.0097 k =-0.5000 0.3095 0.2933 ( 4340 PWs) bands (ev): -13.2535 -13.2535 -13.1375 -13.1375 -11.3222 -11.3222 -9.7026 -9.7026 -9.0428 -9.0428 -8.9780 -8.9780 -2.7163 -2.7163 -2.5403 -2.5403 -2.5156 -2.5156 -1.3741 -1.3741 -0.4530 -0.4530 0.4920 0.4920 0.6042 0.6042 1.0362 1.0362 2.0927 2.0927 2.2537 2.2537 2.2685 2.2685 2.4501 2.4501 2.8373 2.8373 3.2757 3.2757 3.6851 3.6851 4.3486 4.3486 4.8036 4.8036 4.8231 4.8231 12.0247 12.0247 12.1058 12.1058 12.3196 12.3196 12.5747 12.5747 13.0204 13.0204 k =-0.5000 0.3095 0.2770 ( 4336 PWs) bands (ev): -13.2572 -13.2572 -13.1350 -13.1350 -11.3558 -11.3558 -9.6426 -9.6426 -9.0466 -9.0466 -8.9783 -8.9783 -2.7908 -2.7908 -2.4986 -2.4986 -2.4739 -2.4739 -1.3592 -1.3592 -0.4949 -0.4949 0.4439 0.4439 0.5695 0.5695 1.0189 1.0189 2.1234 2.1234 2.2242 2.2242 2.3508 2.3508 2.4425 2.4425 2.8169 2.8169 3.2778 3.2778 3.6698 3.6698 4.3634 4.3634 4.8112 4.8112 4.8389 4.8389 12.0618 12.0618 12.0753 12.0753 12.3130 12.3130 12.6911 12.6911 13.0415 13.0415 k =-0.5000 0.3095 0.2607 ( 4336 PWs) bands (ev): -13.2608 -13.2608 -13.1327 -13.1327 -11.3877 -11.3877 -9.5838 -9.5838 -9.0503 -9.0503 -8.9787 -8.9787 -2.8647 -2.8647 -2.4551 -2.4551 -2.4307 -2.4307 -1.3455 -1.3455 -0.5333 -0.5333 0.3930 0.3930 0.5323 0.5323 1.0020 1.0020 2.1531 2.1531 2.1956 2.1956 2.4302 2.4302 2.4362 2.4362 2.7980 2.7980 3.2797 3.2797 3.6551 3.6551 4.3767 4.3767 4.8187 4.8187 4.8557 4.8557 12.0435 12.0435 12.0947 12.0947 12.3082 12.3082 12.8100 12.8100 13.0731 13.0731 k =-0.5000 0.3095 0.2444 ( 4338 PWs) bands (ev): -13.2642 -13.2642 -13.1305 -13.1305 -11.4176 -11.4176 -9.5265 -9.5265 -9.0539 -9.0539 -8.9792 -8.9792 -2.9375 -2.9375 -2.4099 -2.4099 -2.3863 -2.3863 -1.3328 -1.3328 -0.5686 -0.5686 0.3396 0.3396 0.4926 0.4926 0.9855 0.9855 2.1679 2.1679 2.1820 2.1820 2.4312 2.4312 2.5061 2.5061 2.7804 2.7804 3.2815 3.2815 3.6407 3.6407 4.3886 4.3886 4.8261 4.8261 4.8734 4.8734 12.0144 12.0144 12.1194 12.1194 12.3053 12.3053 12.9301 12.9301 13.1147 13.1147 k =-0.5000 0.3095 0.2281 ( 4330 PWs) bands (ev): -13.2675 -13.2675 -13.1284 -13.1284 -11.4458 -11.4458 -9.4709 -9.4709 -9.0573 -9.0573 -8.9797 -8.9797 -3.0087 -3.0087 -2.3634 -2.3634 -2.3410 -2.3410 -1.3211 -1.3211 -0.6009 -0.6009 0.2841 0.2841 0.4507 0.4507 0.9698 0.9698 2.1423 2.1423 2.2093 2.2093 2.4276 2.4276 2.5781 2.5781 2.7641 2.7641 3.2831 3.2831 3.6270 3.6270 4.3992 4.3992 4.8333 4.8333 4.8917 4.8917 11.9865 11.9865 12.1381 12.1381 12.3043 12.3043 13.0499 13.0499 13.1653 13.1653 k =-0.5000 0.3095 0.2118 ( 4334 PWs) bands (ev): -13.2706 -13.2706 -13.1265 -13.1265 -11.4721 -11.4721 -9.4173 -9.4173 -9.0607 -9.0607 -8.9802 -8.9802 -3.0778 -3.0778 -2.3158 -2.3158 -2.2950 -2.2950 -1.3104 -1.3104 -0.6302 -0.6302 0.2270 0.2270 0.4071 0.4071 0.9548 0.9548 2.1184 2.1184 2.2353 2.2353 2.4252 2.4252 2.6458 2.6458 2.7492 2.7492 3.2845 3.2845 3.6137 3.6137 4.4085 4.4085 4.8402 4.8402 4.9105 4.9105 11.9600 11.9600 12.1512 12.1512 12.3054 12.3054 13.1675 13.1675 13.2231 13.2231 k =-0.5000 0.3095 0.1956 ( 4326 PWs) bands (ev): -13.2735 -13.2735 -13.1248 -13.1248 -11.4964 -11.4964 -9.3660 -9.3660 -9.0639 -9.0639 -8.9808 -8.9808 -3.1442 -3.1442 -2.2675 -2.2675 -2.2488 -2.2488 -1.3007 -1.3007 -0.6569 -0.6569 0.1688 0.1688 0.3621 0.3621 0.9407 0.9407 2.0964 2.0964 2.2599 2.2599 2.4239 2.4239 2.7090 2.7090 2.7355 2.7355 3.2858 3.2858 3.6012 3.6012 4.4166 4.4166 4.8469 4.8469 4.9296 4.9296 11.9351 11.9351 12.1598 12.1598 12.3087 12.3087 13.2798 13.2798 13.2865 13.2865 k =-0.5000 0.3095 0.1793 ( 4322 PWs) bands (ev): -13.2762 -13.2762 -13.1231 -13.1231 -11.5189 -11.5189 -9.3173 -9.3173 -9.0669 -9.0669 -8.9813 -8.9813 -3.2076 -3.2076 -2.2188 -2.2188 -2.2027 -2.2027 -1.2919 -1.2919 -0.6809 -0.6809 0.1102 0.1102 0.3163 0.3163 0.9276 0.9276 2.0765 2.0765 2.2830 2.2830 2.4237 2.4237 2.7228 2.7228 2.7677 2.7677 3.2868 3.2868 3.5893 3.5893 4.4236 4.4236 4.8532 4.8532 4.9487 4.9487 11.9118 11.9118 12.1650 12.1650 12.3142 12.3142 13.3525 13.3525 13.3833 13.3833 k =-0.5000 0.3095 0.1630 ( 4326 PWs) bands (ev): -13.2787 -13.2787 -13.1217 -13.1217 -11.5395 -11.5395 -9.2716 -9.2716 -9.0697 -9.0697 -8.9819 -8.9819 -3.2673 -3.2673 -2.1703 -2.1703 -2.1572 -2.1572 -1.2839 -1.2839 -0.7025 -0.7025 0.0518 0.0518 0.2703 0.2703 0.9155 0.9155 2.0586 2.0586 2.3045 2.3045 2.4243 2.4243 2.7115 2.7115 2.8212 2.8212 3.2877 3.2877 3.5782 3.5782 4.4296 4.4296 4.8591 4.8591 4.9676 4.9676 11.8904 11.8904 12.1676 12.1676 12.3219 12.3219 13.3747 13.3747 13.3919 13.3919 k =-0.5000 0.3095 0.1467 ( 4328 PWs) bands (ev): -13.2810 -13.2810 -13.1203 -13.1203 -11.5582 -11.5582 -9.2289 -9.2289 -9.0723 -9.0723 -8.9824 -8.9824 -3.3231 -3.3231 -2.1225 -2.1225 -2.1129 -2.1129 -1.2768 -1.2768 -0.7217 -0.7217 -0.0057 -0.0057 0.2248 0.2248 0.9044 0.9044 2.0429 2.0429 2.3242 2.3242 2.4256 2.4256 2.7012 2.7012 2.8699 2.8699 3.2883 3.2883 3.5679 3.5679 4.4347 4.4347 4.8646 4.8646 4.9859 4.9859 11.8708 11.8708 12.1684 12.1684 12.3317 12.3317 13.3137 13.3137 13.3729 13.3729 k =-0.5000 0.3095 0.1304 ( 4322 PWs) bands (ev): -13.2831 -13.2831 -13.1192 -13.1192 -11.5749 -11.5749 -9.1898 -9.1898 -9.0746 -9.0746 -8.9830 -8.9830 -3.3743 -3.3743 -2.0761 -2.0761 -2.0704 -2.0704 -1.2705 -1.2705 -0.7386 -0.7386 -0.0614 -0.0614 0.1806 0.1806 0.8945 0.8945 2.0291 2.0291 2.3420 2.3420 2.4273 2.4273 2.6921 2.6921 2.9134 2.9134 3.2888 3.2888 3.5586 3.5586 4.4390 4.4390 4.8696 4.8696 5.0035 5.0035 11.8531 11.8531 12.1680 12.1680 12.3434 12.3434 13.2530 13.2530 13.3558 13.3558 k =-0.5000 0.3095 0.1141 ( 4326 PWs) bands (ev): -13.2849 -13.2849 -13.1181 -13.1181 -11.5897 -11.5897 -9.1545 -9.1545 -9.0768 -9.0768 -8.9834 -8.9834 -3.4206 -3.4206 -2.0319 -2.0319 -2.0300 -2.0300 -1.2650 -1.2650 -0.7533 -0.7533 -0.1143 -0.1143 0.1385 0.1385 0.8856 0.8856 2.0172 2.0172 2.3580 2.3580 2.4294 2.4294 2.6841 2.6841 2.9518 2.9518 3.2891 3.2891 3.5502 3.5502 4.4425 4.4425 4.8741 4.8741 5.0198 5.0198 11.8375 11.8375 12.1670 12.1670 12.3569 12.3569 13.1948 13.1948 13.3398 13.3398 k =-0.5000 0.3095 0.0978 ( 4318 PWs) bands (ev): -13.2866 -13.2866 -13.1172 -13.1172 -11.6025 -11.6025 -9.1232 -9.1232 -9.0786 -9.0786 -8.9839 -8.9839 -3.4617 -3.4617 -1.9935 -1.9935 -1.9898 -1.9898 -1.2603 -1.2603 -0.7659 -0.7659 -0.1636 -0.1636 0.0994 0.0994 0.8779 0.8779 2.0072 2.0072 2.3720 2.3720 2.4317 2.4317 2.6771 2.6771 2.9851 2.9851 3.2894 3.2894 3.5428 3.5428 4.4453 4.4453 4.8781 4.8781 5.0348 5.0348 11.8238 11.8238 12.1655 12.1655 12.3717 12.3717 13.1401 13.1401 13.3252 13.3252 k =-0.5000 0.3095 0.0815 ( 4326 PWs) bands (ev): -13.2879 -13.2879 -13.1164 -13.1164 -11.6134 -11.6134 -9.0963 -9.0963 -9.0802 -9.0802 -8.9843 -8.9843 -3.4970 -3.4970 -1.9603 -1.9603 -1.9522 -1.9522 -1.2563 -1.2563 -0.7765 -0.7765 -0.2082 -0.2082 0.0642 0.0642 0.8713 0.8713 1.9989 1.9989 2.3840 2.3840 2.4338 2.4338 2.6712 2.6712 3.0132 3.0132 3.2895 3.2895 3.5364 3.5364 4.4476 4.4476 4.8816 4.8816 5.0480 5.0480 11.8122 11.8122 12.1640 12.1640 12.3873 12.3873 13.0900 13.0900 13.3123 13.3123 k =-0.5000 0.3095 0.0652 ( 4344 PWs) bands (ev): -13.2891 -13.2891 -13.1158 -13.1158 -11.6223 -11.6223 -9.0817 -9.0817 -9.0737 -9.0737 -8.9846 -8.9846 -3.5264 -3.5264 -1.9318 -1.9318 -1.9193 -1.9193 -1.2531 -1.2531 -0.7851 -0.7851 -0.2468 -0.2468 0.0337 0.0337 0.8660 0.8660 1.9923 1.9923 2.3938 2.3938 2.4359 2.4359 2.6664 2.6664 3.0361 3.0361 3.2895 3.2895 3.5311 3.5311 4.4493 4.4493 4.8844 4.8844 5.0592 5.0592 11.8026 11.8026 12.1626 12.1626 12.4027 12.4027 13.0457 13.0457 13.3013 13.3013 k =-0.5000 0.3095 0.0489 ( 4336 PWs) bands (ev): -13.2900 -13.2900 -13.1153 -13.1153 -11.6292 -11.6292 -9.0826 -9.0826 -9.0562 -9.0562 -8.9848 -8.9848 -3.5496 -3.5496 -1.9087 -1.9087 -1.8923 -1.8923 -1.2506 -1.2506 -0.7917 -0.7917 -0.2783 -0.2783 0.0090 0.0090 0.8618 0.8618 1.9872 1.9872 2.4015 2.4015 2.4376 2.4376 2.6626 2.6626 3.0540 3.0540 3.2895 3.2895 3.5270 3.5270 4.4507 4.4507 4.8866 4.8866 5.0681 5.0681 11.7952 11.7952 12.1614 12.1614 12.4171 12.4171 13.0087 13.0087 13.2926 13.2926 k =-0.5000 0.3095 0.0326 ( 4328 PWs) bands (ev): -13.2906 -13.2906 -13.1150 -13.1150 -11.6342 -11.6342 -9.0834 -9.0834 -9.0434 -9.0434 -8.9850 -8.9850 -3.5663 -3.5663 -1.8917 -1.8917 -1.8722 -1.8722 -1.2488 -1.2488 -0.7964 -0.7964 -0.3018 -0.3018 -0.0093 -0.0093 0.8588 0.8588 1.9837 1.9837 2.4070 2.4070 2.4389 2.4389 2.6599 2.6599 3.0667 3.0667 3.2895 3.2895 3.5240 3.5240 4.4516 4.4516 4.8882 4.8882 5.0747 5.0747 11.7898 11.7898 12.1605 12.1605 12.4288 12.4288 12.9805 12.9805 13.2862 13.2862 k =-0.5000 0.3095 0.0163 ( 4326 PWs) bands (ev): -13.2910 -13.2910 -13.1148 -13.1148 -11.6371 -11.6371 -9.0838 -9.0838 -9.0358 -9.0358 -8.9851 -8.9851 -3.5763 -3.5763 -1.8812 -1.8812 -1.8598 -1.8598 -1.2477 -1.2477 -0.7993 -0.7993 -0.3163 -0.3163 -0.0205 -0.0205 0.8570 0.8570 1.9816 1.9816 2.4104 2.4104 2.4397 2.4397 2.6583 2.6583 3.0743 3.0743 3.2895 3.2895 3.5223 3.5223 4.4521 4.4521 4.8892 4.8892 5.0787 5.0787 11.7866 11.7866 12.1599 12.1599 12.4367 12.4367 12.9627 12.9627 13.2823 13.2823 k =-0.5000 0.3095 0.0000 ( 4318 PWs) bands (ev): -13.2911 -13.2911 -13.1147 -13.1147 -11.6381 -11.6381 -9.0839 -9.0839 -9.0332 -9.0332 -8.9851 -8.9851 -3.5797 -3.5797 -1.8777 -1.8777 -1.8555 -1.8555 -1.2474 -1.2474 -0.8002 -0.8002 -0.3212 -0.3212 -0.0243 -0.0243 0.8564 0.8564 1.9809 1.9809 2.4115 2.4115 2.4400 2.4400 2.6578 2.6578 3.0768 3.0768 3.2895 3.2895 3.5217 3.5217 4.4523 4.4523 4.8895 4.8895 5.0800 5.0800 11.7856 11.7856 12.1597 12.1597 12.4395 12.4395 12.9566 12.9566 13.2810 13.2810 k = 0.0000 0.0000 0.5378 ( 4372 PWs) bands (ev): -13.3502 -13.3502 -13.3502 -13.3502 -10.1865 -10.1865 -10.1865 -10.1865 -8.9950 -8.9950 -8.9950 -8.9950 -4.0862 -4.0862 -4.0862 -4.0862 -0.5745 -0.5745 -0.5745 -0.5745 -0.1673 -0.1673 -0.1673 -0.1673 0.7459 0.7459 0.7459 0.7459 1.8466 1.8466 1.8466 1.8466 2.6571 2.6571 2.6571 2.6571 3.5665 3.5665 3.5665 3.5665 3.9627 3.9627 3.9627 3.9627 5.2285 5.2285 5.2285 5.2285 11.2846 11.2846 11.2846 11.2846 12.0913 12.0913 12.0913 12.0913 12.7569 12.7569 k =-0.0139 0.0086 0.5378 ( 4364 PWs) bands (ev): -13.3499 -13.3499 -13.3499 -13.3499 -10.1874 -10.1874 -10.1873 -10.1873 -8.9950 -8.9950 -8.9949 -8.9949 -4.0847 -4.0847 -4.0844 -4.0844 -0.5777 -0.5777 -0.5773 -0.5773 -0.1650 -0.1650 -0.1645 -0.1645 0.7470 0.7470 0.7471 0.7471 1.8445 1.8445 1.8447 1.8447 2.6584 2.6584 2.6586 2.6586 3.5659 3.5659 3.5661 3.5661 3.9611 3.9611 3.9612 3.9612 5.2283 5.2283 5.2284 5.2284 11.2844 11.2844 11.2846 11.2846 12.0932 12.0932 12.0938 12.0938 12.7572 12.7572 k =-0.0278 0.0172 0.5378 ( 4368 PWs) bands (ev): -13.3491 -13.3491 -13.3491 -13.3491 -10.1901 -10.1901 -10.1900 -10.1900 -8.9949 -8.9949 -8.9946 -8.9946 -4.0799 -4.0799 -4.0794 -4.0794 -0.5866 -0.5866 -0.5859 -0.5859 -0.1580 -0.1580 -0.1569 -0.1569 0.7503 0.7503 0.7506 0.7506 1.8384 1.8384 1.8388 1.8388 2.6625 2.6625 2.6628 2.6628 3.5643 3.5643 3.5647 3.5647 3.9565 3.9565 3.9567 3.9567 5.2277 5.2277 5.2279 5.2279 11.2839 11.2839 11.2844 11.2844 12.0994 12.0994 12.1007 12.1007 12.7581 12.7581 k =-0.0417 0.0258 0.5378 ( 4356 PWs) bands (ev): -13.3478 -13.3478 -13.3477 -13.3477 -10.1945 -10.1945 -10.1943 -10.1943 -8.9946 -8.9946 -8.9942 -8.9942 -4.0719 -4.0719 -4.0711 -4.0711 -0.6008 -0.6008 -0.5997 -0.5997 -0.1465 -0.1465 -0.1451 -0.1451 0.7558 0.7558 0.7562 0.7562 1.8284 1.8284 1.8291 1.8291 2.6692 2.6692 2.6697 2.6697 3.5617 3.5617 3.5622 3.5622 3.9490 3.9490 3.9493 3.9493 5.2267 5.2267 5.2269 5.2269 11.2834 11.2834 11.2841 11.2841 12.1097 12.1097 12.1117 12.1117 12.7597 12.7597 k =-0.0556 0.0344 0.5378 ( 4342 PWs) bands (ev): -13.3459 -13.3459 -13.3457 -13.3457 -10.2006 -10.2006 -10.2004 -10.2004 -8.9943 -8.9943 -8.9937 -8.9937 -4.0606 -4.0606 -4.0596 -4.0596 -0.6195 -0.6195 -0.6182 -0.6182 -0.1314 -0.1314 -0.1297 -0.1297 0.7634 0.7634 0.7640 0.7640 1.8148 1.8148 1.8156 1.8156 2.6783 2.6783 2.6789 2.6789 3.5580 3.5580 3.5587 3.5587 3.9389 3.9389 3.9392 3.9392 5.2251 5.2251 5.2254 5.2254 11.2829 11.2829 11.2839 11.2839 12.1239 12.1239 12.1265 12.1265 12.7619 12.7619 k =-0.0694 0.0430 0.5378 ( 4342 PWs) bands (ev): -13.3434 -13.3434 -13.3433 -13.3433 -10.2083 -10.2083 -10.2081 -10.2081 -8.9938 -8.9938 -8.9932 -8.9932 -4.0462 -4.0462 -4.0450 -4.0450 -0.6421 -0.6421 -0.6406 -0.6406 -0.1133 -0.1133 -0.1112 -0.1112 0.7732 0.7732 0.7739 0.7739 1.7978 1.7978 1.7988 1.7988 2.6893 2.6893 2.6900 2.6900 3.5533 3.5533 3.5542 3.5542 3.9264 3.9264 3.9268 3.9268 5.2229 5.2229 5.2231 5.2231 11.2827 11.2827 11.2838 11.2838 12.1417 12.1417 12.1449 12.1449 12.7647 12.7647 k =-0.0833 0.0516 0.5378 ( 4342 PWs) bands (ev): -13.3405 -13.3405 -13.3403 -13.3403 -10.2176 -10.2176 -10.2173 -10.2173 -8.9933 -8.9933 -8.9925 -8.9925 -4.0286 -4.0286 -4.0271 -4.0271 -0.6679 -0.6679 -0.6663 -0.6663 -0.0927 -0.0927 -0.0905 -0.0905 0.7850 0.7850 0.7858 0.7858 1.7776 1.7776 1.7788 1.7788 2.7020 2.7020 2.7028 2.7028 3.5476 3.5476 3.5487 3.5487 3.9119 3.9119 3.9124 3.9124 5.2197 5.2197 5.2200 5.2200 11.2829 11.2829 11.2842 11.2842 12.1626 12.1626 12.1664 12.1664 12.7682 12.7682 k =-0.0972 0.0602 0.5378 ( 4342 PWs) bands (ev): -13.3370 -13.3370 -13.3369 -13.3369 -10.2284 -10.2284 -10.2280 -10.2280 -8.9927 -8.9927 -8.9919 -8.9919 -4.0080 -4.0080 -4.0063 -4.0063 -0.6964 -0.6964 -0.6948 -0.6948 -0.0702 -0.0702 -0.0678 -0.0678 0.7988 0.7988 0.7997 0.7997 1.7545 1.7545 1.7559 1.7559 2.7159 2.7159 2.7168 2.7168 3.5409 3.5409 3.5422 3.5422 3.8960 3.8960 3.8966 3.8966 5.2155 5.2155 5.2158 5.2158 11.2837 11.2837 11.2852 11.2852 12.1861 12.1861 12.1906 12.1906 12.7724 12.7724 k =-0.1111 0.0688 0.5378 ( 4346 PWs) bands (ev): -13.3331 -13.3331 -13.3329 -13.3329 -10.2405 -10.2405 -10.2402 -10.2402 -8.9921 -8.9921 -8.9911 -8.9911 -3.9843 -3.9843 -3.9824 -3.9824 -0.7273 -0.7273 -0.7256 -0.7256 -0.0462 -0.0462 -0.0436 -0.0436 0.8145 0.8145 0.8155 0.8155 1.7289 1.7289 1.7304 1.7304 2.7305 2.7305 2.7316 2.7316 3.5332 3.5332 3.5347 3.5347 3.8790 3.8790 3.8797 3.8797 5.2101 5.2101 5.2104 5.2104 11.2854 11.2854 11.2870 11.2870 12.2119 12.2119 12.2170 12.2170 12.7773 12.7773 k =-0.1250 0.0774 0.5378 ( 4346 PWs) bands (ev): -13.3288 -13.3288 -13.3285 -13.3285 -10.2540 -10.2540 -10.2535 -10.2535 -8.9915 -8.9915 -8.9904 -8.9904 -3.9577 -3.9577 -3.9556 -3.9556 -0.7602 -0.7602 -0.7584 -0.7584 -0.0209 -0.0209 -0.0182 -0.0182 0.8320 0.8320 0.8331 0.8331 1.7009 1.7009 1.7026 1.7026 2.7455 2.7455 2.7467 2.7467 3.5245 3.5245 3.5263 3.5263 3.8615 3.8615 3.8623 3.8623 5.2034 5.2034 5.2037 5.2037 11.2881 11.2881 11.2897 11.2897 12.2393 12.2393 12.2450 12.2450 12.7831 12.7831 k =-0.1389 0.0860 0.5378 ( 4340 PWs) bands (ev): -13.3240 -13.3240 -13.3237 -13.3237 -10.2685 -10.2685 -10.2681 -10.2681 -8.9908 -8.9908 -8.9897 -8.9897 -3.9283 -3.9283 -3.9260 -3.9260 -0.7948 -0.7948 -0.7930 -0.7930 0.0054 0.0054 0.0082 0.0082 0.8512 0.8512 0.8524 0.8524 1.6710 1.6710 1.6728 1.6728 2.7602 2.7602 2.7616 2.7616 3.5148 3.5148 3.5169 3.5169 3.8441 3.8441 3.8449 3.8449 5.1951 5.1951 5.1954 5.1954 11.2918 11.2918 11.2935 11.2935 12.2677 12.2677 12.2740 12.2740 12.7899 12.7899 k =-0.1528 0.0946 0.5378 ( 4348 PWs) bands (ev): -13.3188 -13.3188 -13.3185 -13.3185 -10.2841 -10.2841 -10.2836 -10.2836 -8.9902 -8.9902 -8.9891 -8.9891 -3.8962 -3.8962 -3.8937 -3.8937 -0.8310 -0.8310 -0.8292 -0.8292 0.0325 0.0325 0.0353 0.0353 0.8720 0.8720 0.8733 0.8733 1.6392 1.6392 1.6412 1.6412 2.7744 2.7744 2.7758 2.7758 3.5043 3.5043 3.5065 3.5065 3.8272 3.8272 3.8281 3.8281 5.1853 5.1853 5.1855 5.1855 11.2967 11.2967 11.2984 11.2984 12.2965 12.2965 12.3034 12.3034 12.7980 12.7980 k =-0.1667 0.1032 0.5378 ( 4344 PWs) bands (ev): -13.3132 -13.3132 -13.3129 -13.3129 -10.3006 -10.3006 -10.3001 -10.3001 -8.9897 -8.9897 -8.9884 -8.9884 -3.8614 -3.8614 -3.8588 -3.8588 -0.8686 -0.8686 -0.8668 -0.8668 0.0602 0.0602 0.0631 0.0631 0.8944 0.8944 0.8957 0.8957 1.6059 1.6059 1.6081 1.6081 2.7874 2.7874 2.7890 2.7890 3.4928 3.4928 3.4953 3.4953 3.8114 3.8114 3.8124 3.8124 5.1737 5.1737 5.1740 5.1740 11.3027 11.3027 11.3046 11.3046 12.3250 12.3250 12.3326 12.3326 12.8078 12.8078 k =-0.1806 0.1118 0.5378 ( 4342 PWs) bands (ev): -13.3073 -13.3073 -13.3070 -13.3070 -10.3178 -10.3178 -10.3173 -10.3173 -8.9892 -8.9892 -8.9879 -8.9879 -3.8242 -3.8242 -3.8214 -3.8214 -0.9075 -0.9075 -0.9057 -0.9057 0.0885 0.0885 0.0914 0.0914 0.9182 0.9182 0.9196 0.9196 1.5714 1.5714 1.5737 1.5737 2.7989 2.7989 2.8006 2.8006 3.4804 3.4804 3.4832 3.4832 3.7972 3.7972 3.7983 3.7983 5.1605 5.1605 5.1608 5.1608 11.3100 11.3100 11.3118 11.3118 12.3526 12.3526 12.3607 12.3607 12.8197 12.8197 k =-0.1944 0.1204 0.5378 ( 4344 PWs) bands (ev): -13.3011 -13.3011 -13.3008 -13.3008 -10.3357 -10.3357 -10.3351 -10.3351 -8.9887 -8.9887 -8.9874 -8.9874 -3.7846 -3.7846 -3.7816 -3.7816 -0.9476 -0.9476 -0.9457 -0.9457 0.1170 0.1170 0.1199 0.1199 0.9433 0.9433 0.9448 0.9448 1.5360 1.5360 1.5384 1.5384 2.8084 2.8084 2.8102 2.8102 3.4673 3.4673 3.4703 3.4703 3.7852 3.7852 3.7863 3.7863 5.1455 5.1455 5.1459 5.1459 11.3183 11.3183 11.3202 11.3202 12.3785 12.3785 12.3871 12.3871 12.8342 12.8342 k =-0.2083 0.1289 0.5378 ( 4340 PWs) bands (ev): -13.2947 -13.2947 -13.2944 -13.2944 -10.3540 -10.3540 -10.3534 -10.3534 -8.9884 -8.9884 -8.9871 -8.9871 -3.7428 -3.7428 -3.7397 -3.7397 -0.9887 -0.9887 -0.9869 -0.9869 0.1458 0.1458 0.1487 0.1487 0.9694 0.9694 0.9711 0.9711 1.4998 1.4998 1.5025 1.5025 2.8156 2.8156 2.8176 2.8176 3.4534 3.4534 3.4566 3.4566 3.7757 3.7757 3.7769 3.7769 5.1288 5.1288 5.1293 5.1293 11.3278 11.3278 11.3297 11.3297 12.4020 12.4020 12.4111 12.4111 12.8518 12.8518 k =-0.2222 0.1375 0.5378 ( 4332 PWs) bands (ev): -13.2880 -13.2880 -13.2877 -13.2877 -10.3727 -10.3727 -10.3721 -10.3721 -8.9881 -8.9881 -8.9868 -8.9868 -3.6989 -3.6989 -3.6957 -3.6957 -1.0308 -1.0308 -1.0290 -1.0290 0.1746 0.1746 0.1776 0.1776 0.9965 0.9965 0.9983 0.9983 1.4634 1.4634 1.4663 1.4663 2.8201 2.8201 2.8222 2.8222 3.4388 3.4388 3.4423 3.4423 3.7691 3.7691 3.7703 3.7703 5.1105 5.1105 5.1111 5.1111 11.3382 11.3382 11.3401 11.3401 12.4225 12.4225 12.4320 12.4320 12.8729 12.8729 k =-0.2361 0.1461 0.5378 ( 4332 PWs) bands (ev): -13.2812 -13.2812 -13.2809 -13.2809 -10.3915 -10.3915 -10.3910 -10.3910 -8.9879 -8.9879 -8.9866 -8.9866 -3.6531 -3.6531 -3.6498 -3.6498 -1.0739 -1.0739 -1.0721 -1.0721 0.2035 0.2035 0.2064 0.2064 1.0241 1.0241 1.0260 1.0260 1.4272 1.4272 1.4303 1.4303 2.8218 2.8218 2.8240 2.8240 3.4236 3.4236 3.4272 3.4272 3.7656 3.7656 3.7668 3.7668 5.0907 5.0907 5.0914 5.0914 11.3494 11.3494 11.3513 11.3513 12.4397 12.4397 12.4495 12.4495 12.8979 12.8979 k =-0.2500 0.1547 0.5378 ( 4324 PWs) bands (ev): -13.2743 -13.2743 -13.2740 -13.2740 -10.4105 -10.4105 -10.4099 -10.4099 -8.9878 -8.9878 -8.9865 -8.9865 -3.6056 -3.6056 -3.6022 -3.6022 -1.1178 -1.1178 -1.1159 -1.1159 0.2321 0.2321 0.2351 0.2351 1.0516 1.0516 1.0538 1.0538 1.3920 1.3920 1.3952 1.3952 2.8204 2.8204 2.8227 2.8227 3.4078 3.4078 3.4116 3.4116 3.7653 3.7653 3.7665 3.7665 5.0696 5.0696 5.0704 5.0704 11.3614 11.3614 11.3633 11.3633 12.4535 12.4535 12.4634 12.4634 12.9266 12.9266 k =-0.2639 0.1633 0.5378 ( 4328 PWs) bands (ev): -13.2673 -13.2673 -13.2670 -13.2670 -10.4293 -10.4293 -10.4288 -10.4288 -8.9878 -8.9878 -8.9865 -8.9865 -3.5565 -3.5565 -3.5531 -3.5531 -1.1624 -1.1624 -1.1606 -1.1606 0.2605 0.2605 0.2635 0.2635 1.0781 1.0781 1.0805 1.0805 1.3587 1.3587 1.3622 1.3622 2.8160 2.8160 2.8183 2.8183 3.3916 3.3916 3.3955 3.3955 3.7683 3.7683 3.7695 3.7695 5.0472 5.0472 5.0481 5.0481 11.3739 11.3739 11.3758 11.3758 12.4639 12.4639 12.4738 12.4738 12.9590 12.9590 k =-0.2778 0.1719 0.5378 ( 4328 PWs) bands (ev): -13.2603 -13.2603 -13.2600 -13.2600 -10.4479 -10.4479 -10.4474 -10.4474 -8.9879 -8.9879 -8.9866 -8.9866 -3.5062 -3.5062 -3.5027 -3.5027 -1.2077 -1.2077 -1.2058 -1.2058 0.2886 0.2886 0.2915 0.2915 1.1014 1.1014 1.1042 1.1042 1.3296 1.3296 1.3334 1.3334 2.8086 2.8086 2.8110 2.8110 3.3751 3.3751 3.3791 3.3791 3.7744 3.7744 3.7757 3.7757 5.0237 5.0237 5.0248 5.0248 11.3868 11.3868 11.3888 11.3888 12.4712 12.4712 12.4811 12.4811 12.9945 12.9945 k =-0.2917 0.1805 0.5378 ( 4332 PWs) bands (ev): -13.2534 -13.2534 -13.2530 -13.2530 -10.4662 -10.4662 -10.4657 -10.4657 -8.9880 -8.9880 -8.9868 -8.9868 -3.4548 -3.4548 -3.4513 -3.4513 -1.2536 -1.2536 -1.2517 -1.2517 0.3161 0.3161 0.3190 0.3190 1.1181 1.1181 1.1212 1.1212 1.3084 1.3084 1.3124 1.3124 2.7983 2.7983 2.8007 2.8007 3.3584 3.3584 3.3624 3.3624 3.7834 3.7834 3.7847 3.7847 4.9994 4.9994 5.0006 5.0006 11.4000 11.4000 11.4020 11.4020 12.4759 12.4759 12.4856 12.4856 13.0325 13.0325 k =-0.3056 0.1891 0.5378 ( 4332 PWs) bands (ev): -13.2465 -13.2465 -13.2462 -13.2462 -10.4840 -10.4840 -10.4835 -10.4835 -8.9882 -8.9882 -8.9871 -8.9871 -3.4026 -3.4026 -3.3991 -3.3991 -1.2998 -1.2998 -1.2979 -1.2979 0.3432 0.3432 0.3460 0.3460 1.1229 1.1229 1.1260 1.1260 1.3006 1.3006 1.3045 1.3045 2.7854 2.7854 2.7878 2.7878 3.3417 3.3417 3.3456 3.3456 3.7950 3.7950 3.7963 3.7963 4.9745 4.9745 4.9757 4.9757 11.4133 11.4133 11.4153 11.4153 12.4783 12.4783 12.4878 12.4878 13.0723 13.0723 k =-0.3194 0.1977 0.5378 ( 4324 PWs) bands (ev): -13.2398 -13.2398 -13.2395 -13.2395 -10.5012 -10.5012 -10.5007 -10.5007 -8.9885 -8.9885 -8.9874 -8.9874 -3.3498 -3.3498 -3.3463 -3.3463 -1.3463 -1.3463 -1.3444 -1.3444 0.3696 0.3696 0.3724 0.3724 1.1132 1.1132 1.1161 1.1161 1.3089 1.3089 1.3121 1.3121 2.7702 2.7702 2.7725 2.7725 3.3251 3.3251 3.3289 3.3289 3.8089 3.8089 3.8102 3.8102 4.9491 4.9491 4.9505 4.9505 11.4266 11.4266 11.4286 11.4286 12.4791 12.4791 12.4882 12.4882 13.1134 13.1134 k =-0.3333 0.2063 0.5378 ( 4324 PWs) bands (ev): -13.2334 -13.2334 -13.2330 -13.2330 -10.5177 -10.5177 -10.5172 -10.5172 -8.9888 -8.9888 -8.9878 -8.9878 -3.2968 -3.2968 -3.2934 -3.2934 -1.3928 -1.3928 -1.3909 -1.3909 0.3953 0.3953 0.3981 0.3981 1.0924 1.0924 1.0950 1.0950 1.3294 1.3294 1.3320 1.3320 2.7530 2.7530 2.7552 2.7552 3.3089 3.3089 3.3125 3.3125 3.8246 3.8246 3.8259 3.8259 4.9237 4.9237 4.9250 4.9250 11.4397 11.4397 11.4417 11.4417 12.4785 12.4785 12.4872 12.4872 13.1547 13.1547 k =-0.3472 0.2149 0.5378 ( 4328 PWs) bands (ev): -13.2271 -13.2271 -13.2268 -13.2268 -10.5333 -10.5333 -10.5328 -10.5328 -8.9891 -8.9891 -8.9882 -8.9882 -3.2440 -3.2440 -3.2407 -3.2407 -1.4392 -1.4392 -1.4373 -1.4373 0.4203 0.4203 0.4231 0.4231 1.0657 1.0657 1.0681 1.0681 1.3569 1.3569 1.3590 1.3590 2.7340 2.7340 2.7362 2.7362 3.2931 3.2931 3.2966 3.2966 3.8416 3.8416 3.8429 3.8429 4.8983 4.8983 4.8997 4.8997 11.4525 11.4525 11.4544 11.4544 12.4770 12.4770 12.4853 12.4853 13.1957 13.1957 k =-0.3611 0.2235 0.5378 ( 4328 PWs) bands (ev): -13.2212 -13.2212 -13.2210 -13.2210 -10.5479 -10.5479 -10.5475 -10.5475 -8.9895 -8.9895 -8.9886 -8.9886 -3.1918 -3.1918 -3.1886 -3.1886 -1.4850 -1.4850 -1.4832 -1.4832 0.4446 0.4446 0.4474 0.4474 1.0363 1.0363 1.0387 1.0387 1.3877 1.3877 1.3894 1.3894 2.7139 2.7139 2.7159 2.7159 3.2780 3.2780 3.2813 3.2813 3.8596 3.8596 3.8609 3.8609 4.8733 4.8733 4.8747 4.8747 11.4647 11.4647 11.4666 11.4666 12.4748 12.4748 12.4826 12.4826 13.2355 13.2355 k =-0.3750 0.2321 0.5378 ( 4346 PWs) bands (ev): -13.2157 -13.2157 -13.2155 -13.2155 -10.5615 -10.5615 -10.5612 -10.5612 -8.9898 -8.9898 -8.9891 -8.9891 -3.1407 -3.1407 -3.1376 -3.1376 -1.5300 -1.5300 -1.5282 -1.5282 0.4681 0.4681 0.4708 0.4708 1.0062 1.0062 1.0085 1.0085 1.4198 1.4198 1.4213 1.4213 2.6929 2.6929 2.6948 2.6948 3.2637 3.2637 3.2668 3.2668 3.8780 3.8780 3.8793 3.8793 4.8490 4.8490 4.8504 4.8504 11.4764 11.4764 11.4781 11.4781 12.4723 12.4723 12.4796 12.4796 13.2732 13.2732 k =-0.3889 0.2407 0.5378 ( 4354 PWs) bands (ev): -13.2106 -13.2106 -13.2104 -13.2104 -10.5740 -10.5740 -10.5736 -10.5736 -8.9902 -8.9902 -8.9895 -8.9895 -3.0912 -3.0912 -3.0882 -3.0882 -1.5737 -1.5737 -1.5719 -1.5719 0.4907 0.4907 0.4933 0.4933 0.9764 0.9764 0.9787 0.9787 1.4520 1.4520 1.4533 1.4533 2.6715 2.6715 2.6732 2.6732 3.2505 3.2505 3.2533 3.2533 3.8964 3.8964 3.8976 3.8976 4.8257 4.8257 4.8271 4.8271 11.4872 11.4872 11.4889 11.4889 12.4697 12.4697 12.4763 12.4763 13.3081 13.3081 k =-0.4028 0.2493 0.5378 ( 4358 PWs) bands (ev): -13.2060 -13.2060 -13.2058 -13.2058 -10.5852 -10.5852 -10.5849 -10.5849 -8.9906 -8.9906 -8.9899 -8.9899 -3.0441 -3.0441 -3.0413 -3.0413 -1.6154 -1.6154 -1.6137 -1.6137 0.5123 0.5123 0.5149 0.5149 0.9476 0.9476 0.9499 0.9499 1.4832 1.4832 1.4845 1.4845 2.6503 2.6503 2.6519 2.6519 3.2385 3.2385 3.2410 3.2410 3.9142 3.9142 3.9154 3.9154 4.8039 4.8039 4.8052 4.8052 11.4972 11.4972 11.4987 11.4987 12.4671 12.4671 12.4731 12.4731 13.3393 13.3393 k =-0.4167 0.2579 0.5378 ( 4350 PWs) bands (ev): -13.2019 -13.2019 -13.2017 -13.2017 -10.5950 -10.5950 -10.5948 -10.5948 -8.9909 -8.9909 -8.9903 -8.9903 -3.0000 -3.0000 -2.9975 -2.9975 -1.6545 -1.6545 -1.6529 -1.6529 0.5330 0.5330 0.5355 0.5355 0.9203 0.9203 0.9225 0.9225 1.5127 1.5127 1.5138 1.5138 2.6300 2.6300 2.6314 2.6314 3.2278 3.2278 3.2300 3.2300 3.9312 3.9312 3.9322 3.9322 4.7837 4.7837 4.7850 4.7850 11.5061 11.5061 11.5075 11.5075 12.4647 12.4647 12.4700 12.4700 13.3661 13.3661 k =-0.4306 0.2665 0.5378 ( 4358 PWs) bands (ev): -13.1983 -13.1983 -13.1982 -13.1982 -10.6035 -10.6035 -10.6033 -10.6033 -8.9911 -8.9911 -8.9907 -8.9907 -2.9600 -2.9600 -2.9577 -2.9577 -1.6901 -1.6901 -1.6887 -1.6887 0.5523 0.5523 0.5547 0.5547 0.8950 0.8950 0.8971 0.8971 1.5396 1.5396 1.5405 1.5405 2.6110 2.6110 2.6122 2.6122 3.2186 3.2186 3.2204 3.2204 3.9466 3.9466 3.9475 3.9475 4.7658 4.7658 4.7669 4.7669 11.5139 11.5139 11.5152 11.5152 12.4626 12.4626 12.4671 12.4671 13.3880 13.3880 k =-0.4444 0.2751 0.5378 ( 4368 PWs) bands (ev): -13.1954 -13.1954 -13.1952 -13.1952 -10.6105 -10.6105 -10.6104 -10.6104 -8.9914 -8.9914 -8.9910 -8.9910 -2.9249 -2.9249 -2.9230 -2.9230 -1.7213 -1.7213 -1.7201 -1.7201 0.5701 0.5701 0.5722 0.5722 0.8722 0.8722 0.8742 0.8742 1.5631 1.5631 1.5639 1.5639 2.5942 2.5942 2.5952 2.5952 3.2110 3.2110 3.2124 3.2124 3.9601 3.9601 3.9609 3.9609 4.7504 4.7504 4.7513 4.7513 11.5205 11.5205 11.5215 11.5215 12.4609 12.4609 12.4646 12.4646 13.4050 13.4050 k =-0.4583 0.2837 0.5378 ( 4368 PWs) bands (ev): -13.1930 -13.1930 -13.1929 -13.1929 -10.6160 -10.6160 -10.6159 -10.6159 -8.9915 -8.9915 -8.9913 -8.9913 -2.8960 -2.8960 -2.8945 -2.8945 -1.7471 -1.7471 -1.7461 -1.7461 0.5856 0.5856 0.5874 0.5874 0.8528 0.8528 0.8545 0.8545 1.5824 1.5824 1.5830 1.5830 2.5802 2.5802 2.5809 2.5809 3.2050 3.2050 3.2061 3.2061 3.9711 3.9711 3.9718 3.9718 4.7379 4.7379 4.7387 4.7387 11.5257 11.5257 11.5265 11.5265 12.4596 12.4596 12.4624 12.4624 13.4172 13.4172 k =-0.4722 0.2923 0.5378 ( 4372 PWs) bands (ev): -13.1913 -13.1913 -13.1913 -13.1913 -10.6200 -10.6200 -10.6199 -10.6199 -8.9917 -8.9917 -8.9915 -8.9915 -2.8743 -2.8743 -2.8732 -2.8732 -1.7664 -1.7664 -1.7657 -1.7657 0.5981 0.5981 0.5994 0.5994 0.8377 0.8377 0.8389 0.8389 1.5968 1.5968 1.5973 1.5973 2.5696 2.5696 2.5702 2.5702 3.2007 3.2007 3.2014 3.2014 3.9794 3.9794 3.9799 3.9799 4.7288 4.7288 4.7293 4.7293 11.5296 11.5296 11.5301 11.5301 12.4588 12.4588 12.4607 12.4607 13.4254 13.4254 k =-0.4861 0.3009 0.5378 ( 4372 PWs) bands (ev): -13.1903 -13.1903 -13.1903 -13.1903 -10.6224 -10.6224 -10.6223 -10.6223 -8.9917 -8.9917 -8.9916 -8.9916 -2.8607 -2.8607 -2.8602 -2.8602 -1.7784 -1.7784 -1.7780 -1.7780 0.6065 0.6065 0.6072 0.6072 0.8280 0.8280 0.8287 0.8287 1.6058 1.6058 1.6060 1.6060 2.5631 2.5631 2.5634 2.5634 3.1982 3.1982 3.1985 3.1985 3.9846 3.9846 3.9848 3.9848 4.7232 4.7232 4.7235 4.7235 11.5320 11.5320 11.5322 11.5322 12.4585 12.4585 12.4595 12.4595 13.4302 13.4302 k =-0.5000 0.3095 0.5378 ( 4376 PWs) bands (ev): -13.1900 -13.1900 -13.1900 -13.1900 -10.6231 -10.6231 -10.6231 -10.6231 -8.9917 -8.9917 -8.9917 -8.9917 -2.8559 -2.8559 -2.8559 -2.8559 -1.7823 -1.7823 -1.7823 -1.7823 0.6097 0.6097 0.6097 0.6097 0.8249 0.8249 0.8249 0.8249 1.6089 1.6089 1.6089 1.6089 2.5610 2.5610 2.5610 2.5610 3.1975 3.1975 3.1975 3.1975 3.9864 3.9864 3.9864 3.9864 4.7214 4.7214 4.7214 4.7214 11.5328 11.5328 11.5328 11.5328 12.4587 12.4587 12.4587 12.4587 13.4322 13.4322 Writing output data file Si2N2O.save init_run : 4.09s CPU 13.72s WALL ( 1 calls) electrons : 1291.15s CPU 1301.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.51s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 1291.14s CPU 1301.58s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.96s WALL ( 1 calls) v_h : 0.06s CPU 0.06s WALL ( 1 calls) v_xc : 0.07s CPU 0.63s WALL ( 1 calls) newd : 0.49s CPU 0.64s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 374 calls) cegterg : 1188.17s CPU 1195.61s WALL ( 1203 calls) Called by sum_band: Called by *egterg: h_psi : 425.72s CPU 439.36s WALL ( 22829 calls) s_psi : 66.88s CPU 67.31s WALL ( 22829 calls) g_psi : 0.97s CPU 1.05s WALL ( 21252 calls) cdiaghg : 535.53s CPU 530.27s WALL ( 21626 calls) cegterg:over : 92.02s CPU 87.83s WALL ( 21252 calls) cegterg:upda : 19.56s CPU 25.57s WALL ( 21252 calls) cegterg:last : 15.33s CPU 16.31s WALL ( 2706 calls) Called by h_psi: h_psi:vloc : 285.49s CPU 296.57s WALL ( 22829 calls) h_psi:vnl : 139.84s CPU 141.66s WALL ( 22829 calls) add_vuspsi : 49.89s CPU 57.01s WALL ( 22829 calls) General routines calbec : 89.85s CPU 84.49s WALL ( 22829 calls) fft : 0.53s CPU 1.22s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 267.42s CPU 275.23s WALL ( 1801304 calls) interpolate : 0.10s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 2.29s WALL ( 748 calls) Parallel routines fft_scatter : 167.75s CPU 173.21s WALL ( 1801327 calls) PWSCF : 22m52.65s CPU 25m51.81s WALL This run was terminated on: 17:44: 0 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=