Program PWSCF v.5.1.1 starts on 29Nov2015 at 15:38:56 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 78537 34791 5463 bravais-lattice index = 14 lattice parameter (alat) = 9.8582 a.u. unit-cell volume = 797.2499 (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)= 9.858188 celldm(2)= 1.000000 celldm(3)= 0.929778 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.446063 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.446063 0.895002 0.000000 ) a(3) = ( 0.000000 0.000000 0.929778 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.498393 -0.000000 ) b(2) = ( 0.000000 1.117316 -0.000000 ) b(3) = ( 0.000000 0.000000 1.075526 ) 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 ) ( -0.4648890 ) 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) = ( 0.0086442 0.0139665 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172883 0.0279329 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259325 0.0418994 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345766 0.0558658 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0432208 0.0698323 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518650 0.0837987 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0605091 0.0977652 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691533 0.1117316 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777975 0.1256981 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0864416 0.1396645 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0950858 0.1536310 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1037299 0.1675974 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1123741 0.1815639 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1210183 0.1955304 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1296624 0.2094968 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1383066 0.2234633 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1469507 0.2374297 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1555949 0.2513962 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1642391 0.2653626 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1728832 0.2793291 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1815274 0.2932956 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1901715 0.3072620 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1988157 0.3212285 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2074599 0.3351949 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2161040 0.3491614 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2247482 0.3631278 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2333923 0.3770943 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2420365 0.3910607 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2506807 0.4050272 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2593248 0.4189936 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2679690 0.4329601 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2766132 0.4469265 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2852573 0.4608930 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2939015 0.4748595 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3025456 0.4888259 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3111898 0.5027924 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3198340 0.5167588 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3284781 0.5307253 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3371223 0.5446917 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3457665 0.5586582 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3457665 0.5586582 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3293014 0.5586582 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3128363 0.5586582 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2963712 0.5586582 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2799062 0.5586582 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2634411 0.5586582 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2469760 0.5586582 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2305110 0.5586582 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2140459 0.5586582 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1975808 0.5586582 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1811158 0.5586582 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1646507 0.5586582 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1481856 0.5586582 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1317205 0.5586582 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1152555 0.5586582 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987904 0.5586582 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0823253 0.5586582 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658603 0.5586582 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493952 0.5586582 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329301 0.5586582 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164651 0.5586582 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5586582 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5586582 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5586582 0.0162958), wk = 0.0026738 k( 66) = ( 0.0000000 0.5586582 0.0325917), wk = 0.0026738 k( 67) = ( 0.0000000 0.5586582 0.0488875), wk = 0.0026738 k( 68) = ( 0.0000000 0.5586582 0.0651834), wk = 0.0026738 k( 69) = ( 0.0000000 0.5586582 0.0814792), wk = 0.0026738 k( 70) = ( 0.0000000 0.5586582 0.0977750), wk = 0.0026738 k( 71) = ( 0.0000000 0.5586582 0.1140709), wk = 0.0026738 k( 72) = ( 0.0000000 0.5586582 0.1303667), wk = 0.0026738 k( 73) = ( 0.0000000 0.5586582 0.1466626), wk = 0.0026738 k( 74) = ( 0.0000000 0.5586582 0.1629584), wk = 0.0026738 k( 75) = ( 0.0000000 0.5586582 0.1792543), wk = 0.0026738 k( 76) = ( 0.0000000 0.5586582 0.1955501), wk = 0.0026738 k( 77) = ( 0.0000000 0.5586582 0.2118459), wk = 0.0026738 k( 78) = ( 0.0000000 0.5586582 0.2281418), wk = 0.0026738 k( 79) = ( 0.0000000 0.5586582 0.2444376), wk = 0.0026738 k( 80) = ( 0.0000000 0.5586582 0.2607335), wk = 0.0026738 k( 81) = ( 0.0000000 0.5586582 0.2770293), wk = 0.0026738 k( 82) = ( 0.0000000 0.5586582 0.2933251), wk = 0.0026738 k( 83) = ( 0.0000000 0.5586582 0.3096210), wk = 0.0026738 k( 84) = ( 0.0000000 0.5586582 0.3259168), wk = 0.0026738 k( 85) = ( 0.0000000 0.5586582 0.3422127), wk = 0.0026738 k( 86) = ( 0.0000000 0.5586582 0.3585085), wk = 0.0026738 k( 87) = ( 0.0000000 0.5586582 0.3748043), wk = 0.0026738 k( 88) = ( 0.0000000 0.5586582 0.3911002), wk = 0.0026738 k( 89) = ( 0.0000000 0.5586582 0.4073960), wk = 0.0026738 k( 90) = ( 0.0000000 0.5586582 0.4236919), wk = 0.0026738 k( 91) = ( 0.0000000 0.5586582 0.4399877), wk = 0.0026738 k( 92) = ( 0.0000000 0.5586582 0.4562835), wk = 0.0026738 k( 93) = ( 0.0000000 0.5586582 0.4725794), wk = 0.0026738 k( 94) = ( 0.0000000 0.5586582 0.4888752), wk = 0.0026738 k( 95) = ( 0.0000000 0.5586582 0.5051711), wk = 0.0026738 k( 96) = ( 0.0000000 0.5586582 0.5214669), wk = 0.0026738 k( 97) = ( 0.0000000 0.5586582 0.5377628), wk = 0.0026738 k( 98) = ( 0.0000000 0.5586582 0.5377628), wk = 0.0026738 k( 99) = ( 0.0164651 0.5586582 0.5377628), wk = 0.0026738 k( 100) = ( 0.0329301 0.5586582 0.5377628), wk = 0.0026738 k( 101) = ( 0.0493952 0.5586582 0.5377628), wk = 0.0026738 k( 102) = ( 0.0658603 0.5586582 0.5377628), wk = 0.0026738 k( 103) = ( 0.0823253 0.5586582 0.5377628), wk = 0.0026738 k( 104) = ( 0.0987904 0.5586582 0.5377628), wk = 0.0026738 k( 105) = ( 0.1152555 0.5586582 0.5377628), wk = 0.0026738 k( 106) = ( 0.1317205 0.5586582 0.5377628), wk = 0.0026738 k( 107) = ( 0.1481856 0.5586582 0.5377628), wk = 0.0026738 k( 108) = ( 0.1646507 0.5586582 0.5377628), wk = 0.0026738 k( 109) = ( 0.1811158 0.5586582 0.5377628), wk = 0.0026738 k( 110) = ( 0.1975808 0.5586582 0.5377628), wk = 0.0026738 k( 111) = ( 0.2140459 0.5586582 0.5377628), wk = 0.0026738 k( 112) = ( 0.2305110 0.5586582 0.5377628), wk = 0.0026738 k( 113) = ( 0.2469760 0.5586582 0.5377628), wk = 0.0026738 k( 114) = ( 0.2634411 0.5586582 0.5377628), wk = 0.0026738 k( 115) = ( 0.2799062 0.5586582 0.5377628), wk = 0.0026738 k( 116) = ( 0.2963712 0.5586582 0.5377628), wk = 0.0026738 k( 117) = ( 0.3128363 0.5586582 0.5377628), wk = 0.0026738 k( 118) = ( 0.3293014 0.5586582 0.5377628), wk = 0.0026738 k( 119) = ( 0.3457665 0.5586582 0.5377628), wk = 0.0026738 k( 120) = ( 0.3457665 0.5586582 0.5377628), wk = 0.0026738 k( 121) = ( 0.3371223 0.5446917 0.5377628), wk = 0.0026738 k( 122) = ( 0.3284781 0.5307253 0.5377628), wk = 0.0026738 k( 123) = ( 0.3198340 0.5167588 0.5377628), wk = 0.0026738 k( 124) = ( 0.3111898 0.5027924 0.5377628), wk = 0.0026738 k( 125) = ( 0.3025456 0.4888259 0.5377628), wk = 0.0026738 k( 126) = ( 0.2939015 0.4748595 0.5377628), wk = 0.0026738 k( 127) = ( 0.2852573 0.4608930 0.5377628), wk = 0.0026738 k( 128) = ( 0.2766132 0.4469265 0.5377628), wk = 0.0026738 k( 129) = ( 0.2679690 0.4329601 0.5377628), wk = 0.0026738 k( 130) = ( 0.2593248 0.4189936 0.5377628), wk = 0.0026738 k( 131) = ( 0.2506807 0.4050272 0.5377628), wk = 0.0026738 k( 132) = ( 0.2420365 0.3910607 0.5377628), wk = 0.0026738 k( 133) = ( 0.2333923 0.3770943 0.5377628), wk = 0.0026738 k( 134) = ( 0.2247482 0.3631278 0.5377628), wk = 0.0026738 k( 135) = ( 0.2161040 0.3491614 0.5377628), wk = 0.0026738 k( 136) = ( 0.2074599 0.3351949 0.5377628), wk = 0.0026738 k( 137) = ( 0.1988157 0.3212285 0.5377628), wk = 0.0026738 k( 138) = ( 0.1901715 0.3072620 0.5377628), wk = 0.0026738 k( 139) = ( 0.1815274 0.2932956 0.5377628), wk = 0.0026738 k( 140) = ( 0.1728832 0.2793291 0.5377628), wk = 0.0026738 k( 141) = ( 0.1642391 0.2653626 0.5377628), wk = 0.0026738 k( 142) = ( 0.1555949 0.2513962 0.5377628), wk = 0.0026738 k( 143) = ( 0.1469507 0.2374297 0.5377628), wk = 0.0026738 k( 144) = ( 0.1383066 0.2234633 0.5377628), wk = 0.0026738 k( 145) = ( 0.1296624 0.2094968 0.5377628), wk = 0.0026738 k( 146) = ( 0.1210183 0.1955304 0.5377628), wk = 0.0026738 k( 147) = ( 0.1123741 0.1815639 0.5377628), wk = 0.0026738 k( 148) = ( 0.1037299 0.1675974 0.5377628), wk = 0.0026738 k( 149) = ( 0.0950858 0.1536310 0.5377628), wk = 0.0026738 k( 150) = ( 0.0864416 0.1396645 0.5377628), wk = 0.0026738 k( 151) = ( 0.0777975 0.1256981 0.5377628), wk = 0.0026738 k( 152) = ( 0.0691533 0.1117316 0.5377628), wk = 0.0026738 k( 153) = ( 0.0605091 0.0977652 0.5377628), wk = 0.0026738 k( 154) = ( 0.0518650 0.0837987 0.5377628), wk = 0.0026738 k( 155) = ( 0.0432208 0.0698323 0.5377628), wk = 0.0026738 k( 156) = ( 0.0345766 0.0558658 0.5377628), wk = 0.0026738 k( 157) = ( 0.0259325 0.0418994 0.5377628), wk = 0.0026738 k( 158) = ( 0.0172883 0.0279329 0.5377628), wk = 0.0026738 k( 159) = ( 0.0086442 0.0139665 0.5377628), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5377628), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5377628), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5214669), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5051711), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4888752), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4725794), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4562835), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4399877), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4236919), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4073960), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3911002), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3748043), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3585085), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3422127), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3259168), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3096210), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2933251), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2770293), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2607335), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2444376), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2281418), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2118459), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1955501), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1792543), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1629584), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1466626), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1303667), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1140709), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0977750), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0814792), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0651834), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0488875), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0325917), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0162958), 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 0.0085962 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171923 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257885 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343846 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0429808 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0515769 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0601731 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0687692 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0773654 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0859615 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0945577 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1031539 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1117500 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1203462 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1289423 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1375385 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1461346 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1547308 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1633269 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1719231 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1805192 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1891154 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1977115 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2063077 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2149039 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2235000 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2320962 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2406923 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2492885 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2578846 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2664808 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2750769 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2836731 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2922692 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3008654 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3094615 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3094615 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914315 0.3233058 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828629 0.3371501 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742944 0.3509943 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657259 0.3648386 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571574 0.3786828 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485888 0.3925271 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4400203 0.4063713 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4314518 0.4202156 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4228832 0.4340599 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4143147 0.4479041 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4057462 0.4617484 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3971776 0.4755926 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3886091 0.4894369 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3800406 0.5032812 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3714720 0.5171254 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3629035 0.5309697 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3543350 0.5448139 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3457665 0.5586582 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3457665 0.5586582 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3457665 0.5586582 0.0162958), wk = 0.0026738 k( 253) = ( -0.3457665 0.5586582 0.0325917), wk = 0.0026738 k( 254) = ( -0.3457665 0.5586582 0.0488875), wk = 0.0026738 k( 255) = ( -0.3457665 0.5586582 0.0651834), wk = 0.0026738 k( 256) = ( -0.3457665 0.5586582 0.0814792), wk = 0.0026738 k( 257) = ( -0.3457665 0.5586582 0.0977750), wk = 0.0026738 k( 258) = ( -0.3457665 0.5586582 0.1140709), wk = 0.0026738 k( 259) = ( -0.3457665 0.5586582 0.1303667), wk = 0.0026738 k( 260) = ( -0.3457665 0.5586582 0.1466626), wk = 0.0026738 k( 261) = ( -0.3457665 0.5586582 0.1629584), wk = 0.0026738 k( 262) = ( -0.3457665 0.5586582 0.1792543), wk = 0.0026738 k( 263) = ( -0.3457665 0.5586582 0.1955501), wk = 0.0026738 k( 264) = ( -0.3457665 0.5586582 0.2118459), wk = 0.0026738 k( 265) = ( -0.3457665 0.5586582 0.2281418), wk = 0.0026738 k( 266) = ( -0.3457665 0.5586582 0.2444376), wk = 0.0026738 k( 267) = ( -0.3457665 0.5586582 0.2607335), wk = 0.0026738 k( 268) = ( -0.3457665 0.5586582 0.2770293), wk = 0.0026738 k( 269) = ( -0.3457665 0.5586582 0.2933251), wk = 0.0026738 k( 270) = ( -0.3457665 0.5586582 0.3096210), wk = 0.0026738 k( 271) = ( -0.3457665 0.5586582 0.3259168), wk = 0.0026738 k( 272) = ( -0.3457665 0.5586582 0.3422127), wk = 0.0026738 k( 273) = ( -0.3457665 0.5586582 0.3585085), wk = 0.0026738 k( 274) = ( -0.3457665 0.5586582 0.3748043), wk = 0.0026738 k( 275) = ( -0.3457665 0.5586582 0.3911002), wk = 0.0026738 k( 276) = ( -0.3457665 0.5586582 0.4073960), wk = 0.0026738 k( 277) = ( -0.3457665 0.5586582 0.4236919), wk = 0.0026738 k( 278) = ( -0.3457665 0.5586582 0.4399877), wk = 0.0026738 k( 279) = ( -0.3457665 0.5586582 0.4562835), wk = 0.0026738 k( 280) = ( -0.3457665 0.5586582 0.4725794), wk = 0.0026738 k( 281) = ( -0.3457665 0.5586582 0.4888752), wk = 0.0026738 k( 282) = ( -0.3457665 0.5586582 0.5051711), wk = 0.0026738 k( 283) = ( -0.3457665 0.5586582 0.5214669), wk = 0.0026738 k( 284) = ( -0.3457665 0.5586582 0.5377628), wk = 0.0026738 k( 285) = ( -0.3457665 0.5586582 0.5377628), wk = 0.0026738 k( 286) = ( -0.3543350 0.5448139 0.5377628), wk = 0.0026738 k( 287) = ( -0.3629035 0.5309697 0.5377628), wk = 0.0026738 k( 288) = ( -0.3714720 0.5171254 0.5377628), wk = 0.0026738 k( 289) = ( -0.3800406 0.5032812 0.5377628), wk = 0.0026738 k( 290) = ( -0.3886091 0.4894369 0.5377628), wk = 0.0026738 k( 291) = ( -0.3971776 0.4755926 0.5377628), wk = 0.0026738 k( 292) = ( -0.4057462 0.4617484 0.5377628), wk = 0.0026738 k( 293) = ( -0.4143147 0.4479041 0.5377628), wk = 0.0026738 k( 294) = ( -0.4228832 0.4340599 0.5377628), wk = 0.0026738 k( 295) = ( -0.4314518 0.4202156 0.5377628), wk = 0.0026738 k( 296) = ( -0.4400203 0.4063713 0.5377628), wk = 0.0026738 k( 297) = ( -0.4485888 0.3925271 0.5377628), wk = 0.0026738 k( 298) = ( -0.4571574 0.3786828 0.5377628), wk = 0.0026738 k( 299) = ( -0.4657259 0.3648386 0.5377628), wk = 0.0026738 k( 300) = ( -0.4742944 0.3509943 0.5377628), wk = 0.0026738 k( 301) = ( -0.4828629 0.3371501 0.5377628), wk = 0.0026738 k( 302) = ( -0.4914315 0.3233058 0.5377628), wk = 0.0026738 k( 303) = ( -0.5000000 0.3094615 0.5377628), wk = 0.0026738 k( 304) = ( -0.5000000 0.3094615 0.5377628), wk = 0.0026738 k( 305) = ( -0.5000000 0.3094615 0.5214669), wk = 0.0026738 k( 306) = ( -0.5000000 0.3094615 0.5051711), wk = 0.0026738 k( 307) = ( -0.5000000 0.3094615 0.4888752), wk = 0.0026738 k( 308) = ( -0.5000000 0.3094615 0.4725794), wk = 0.0026738 k( 309) = ( -0.5000000 0.3094615 0.4562835), wk = 0.0026738 k( 310) = ( -0.5000000 0.3094615 0.4399877), wk = 0.0026738 k( 311) = ( -0.5000000 0.3094615 0.4236919), wk = 0.0026738 k( 312) = ( -0.5000000 0.3094615 0.4073960), wk = 0.0026738 k( 313) = ( -0.5000000 0.3094615 0.3911002), wk = 0.0026738 k( 314) = ( -0.5000000 0.3094615 0.3748043), wk = 0.0026738 k( 315) = ( -0.5000000 0.3094615 0.3585085), wk = 0.0026738 k( 316) = ( -0.5000000 0.3094615 0.3422127), wk = 0.0026738 k( 317) = ( -0.5000000 0.3094615 0.3259168), wk = 0.0026738 k( 318) = ( -0.5000000 0.3094615 0.3096210), wk = 0.0026738 k( 319) = ( -0.5000000 0.3094615 0.2933251), wk = 0.0026738 k( 320) = ( -0.5000000 0.3094615 0.2770293), wk = 0.0026738 k( 321) = ( -0.5000000 0.3094615 0.2607335), wk = 0.0026738 k( 322) = ( -0.5000000 0.3094615 0.2444376), wk = 0.0026738 k( 323) = ( -0.5000000 0.3094615 0.2281418), wk = 0.0026738 k( 324) = ( -0.5000000 0.3094615 0.2118459), wk = 0.0026738 k( 325) = ( -0.5000000 0.3094615 0.1955501), wk = 0.0026738 k( 326) = ( -0.5000000 0.3094615 0.1792543), wk = 0.0026738 k( 327) = ( -0.5000000 0.3094615 0.1629584), wk = 0.0026738 k( 328) = ( -0.5000000 0.3094615 0.1466626), wk = 0.0026738 k( 329) = ( -0.5000000 0.3094615 0.1303667), wk = 0.0026738 k( 330) = ( -0.5000000 0.3094615 0.1140709), wk = 0.0026738 k( 331) = ( -0.5000000 0.3094615 0.0977750), wk = 0.0026738 k( 332) = ( -0.5000000 0.3094615 0.0814792), wk = 0.0026738 k( 333) = ( -0.5000000 0.3094615 0.0651834), wk = 0.0026738 k( 334) = ( -0.5000000 0.3094615 0.0488875), wk = 0.0026738 k( 335) = ( -0.5000000 0.3094615 0.0325917), wk = 0.0026738 k( 336) = ( -0.5000000 0.3094615 0.0162958), wk = 0.0026738 k( 337) = ( -0.5000000 0.3094615 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5377628), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085962 0.5377628), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171923 0.5377628), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257885 0.5377628), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343846 0.5377628), wk = 0.0026738 k( 343) = ( -0.0694444 0.0429808 0.5377628), wk = 0.0026738 k( 344) = ( -0.0833333 0.0515769 0.5377628), wk = 0.0026738 k( 345) = ( -0.0972222 0.0601731 0.5377628), wk = 0.0026738 k( 346) = ( -0.1111111 0.0687692 0.5377628), wk = 0.0026738 k( 347) = ( -0.1250000 0.0773654 0.5377628), wk = 0.0026738 k( 348) = ( -0.1388889 0.0859615 0.5377628), wk = 0.0026738 k( 349) = ( -0.1527778 0.0945577 0.5377628), wk = 0.0026738 k( 350) = ( -0.1666667 0.1031539 0.5377628), wk = 0.0026738 k( 351) = ( -0.1805556 0.1117500 0.5377628), wk = 0.0026738 k( 352) = ( -0.1944444 0.1203462 0.5377628), wk = 0.0026738 k( 353) = ( -0.2083333 0.1289423 0.5377628), wk = 0.0026738 k( 354) = ( -0.2222222 0.1375385 0.5377628), wk = 0.0026738 k( 355) = ( -0.2361111 0.1461346 0.5377628), wk = 0.0026738 k( 356) = ( -0.2500000 0.1547308 0.5377628), wk = 0.0026738 k( 357) = ( -0.2638889 0.1633269 0.5377628), wk = 0.0026738 k( 358) = ( -0.2777778 0.1719231 0.5377628), wk = 0.0026738 k( 359) = ( -0.2916667 0.1805192 0.5377628), wk = 0.0026738 k( 360) = ( -0.3055556 0.1891154 0.5377628), wk = 0.0026738 k( 361) = ( -0.3194444 0.1977115 0.5377628), wk = 0.0026738 k( 362) = ( -0.3333333 0.2063077 0.5377628), wk = 0.0026738 k( 363) = ( -0.3472222 0.2149039 0.5377628), wk = 0.0026738 k( 364) = ( -0.3611111 0.2235000 0.5377628), wk = 0.0026738 k( 365) = ( -0.3750000 0.2320962 0.5377628), wk = 0.0026738 k( 366) = ( -0.3888889 0.2406923 0.5377628), wk = 0.0026738 k( 367) = ( -0.4027778 0.2492885 0.5377628), wk = 0.0026738 k( 368) = ( -0.4166667 0.2578846 0.5377628), wk = 0.0026738 k( 369) = ( -0.4305556 0.2664808 0.5377628), wk = 0.0026738 k( 370) = ( -0.4444444 0.2750769 0.5377628), wk = 0.0026738 k( 371) = ( -0.4583333 0.2836731 0.5377628), wk = 0.0026738 k( 372) = ( -0.4722222 0.2922692 0.5377628), wk = 0.0026738 k( 373) = ( -0.4861111 0.3008654 0.5377628), wk = 0.0026738 k( 374) = ( -0.5000000 0.3094615 0.5377628), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086442 0.0086442 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172883 0.0172883 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259325 0.0259325 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345766 0.0345766 0.0000000), wk = 0.0026738 k( 6) = ( 0.0432208 0.0432208 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518650 0.0518650 0.0000000), wk = 0.0026738 k( 8) = ( 0.0605091 0.0605091 0.0000000), wk = 0.0026738 k( 9) = ( 0.0691533 0.0691533 0.0000000), wk = 0.0026738 k( 10) = ( 0.0777975 0.0777975 0.0000000), wk = 0.0026738 k( 11) = ( 0.0864416 0.0864416 0.0000000), wk = 0.0026738 k( 12) = ( 0.0950858 0.0950858 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1037299 0.1037299 0.0000000), wk = 0.0026738 k( 14) = ( 0.1123741 0.1123741 0.0000000), wk = 0.0026738 k( 15) = ( 0.1210183 0.1210183 0.0000000), wk = 0.0026738 k( 16) = ( 0.1296624 0.1296624 0.0000000), wk = 0.0026738 k( 17) = ( 0.1383066 0.1383066 0.0000000), wk = 0.0026738 k( 18) = ( 0.1469507 0.1469507 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1555949 0.1555949 0.0000000), wk = 0.0026738 k( 20) = ( 0.1642391 0.1642391 0.0000000), wk = 0.0026738 k( 21) = ( 0.1728832 0.1728832 0.0000000), wk = 0.0026738 k( 22) = ( 0.1815274 0.1815274 0.0000000), wk = 0.0026738 k( 23) = ( 0.1901715 0.1901715 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1988157 0.1988157 0.0000000), wk = 0.0026738 k( 25) = ( 0.2074599 0.2074599 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2161040 0.2161040 0.0000000), wk = 0.0026738 k( 27) = ( 0.2247482 0.2247482 0.0000000), wk = 0.0026738 k( 28) = ( 0.2333923 0.2333924 0.0000000), wk = 0.0026738 k( 29) = ( 0.2420365 0.2420365 0.0000000), wk = 0.0026738 k( 30) = ( 0.2506807 0.2506807 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2593248 0.2593248 0.0000000), wk = 0.0026738 k( 32) = ( 0.2679690 0.2679690 0.0000000), wk = 0.0026738 k( 33) = ( 0.2766132 0.2766132 0.0000000), wk = 0.0026738 k( 34) = ( 0.2852573 0.2852573 0.0000000), wk = 0.0026738 k( 35) = ( 0.2939015 0.2939015 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3025456 0.3025456 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3111898 0.3111898 0.0000000), wk = 0.0026738 k( 38) = ( 0.3198340 0.3198340 0.0000000), wk = 0.0026738 k( 39) = ( 0.3284781 0.3284781 0.0000000), wk = 0.0026738 k( 40) = ( 0.3371223 0.3371223 0.0000000), wk = 0.0026738 k( 41) = ( 0.3457665 0.3457664 0.0000000), wk = 0.0026738 k( 42) = ( 0.3457665 0.3457664 0.0000000), wk = 0.0026738 k( 43) = ( 0.3293014 0.3531109 0.0000000), wk = 0.0026738 k( 44) = ( 0.3128363 0.3604554 0.0000000), wk = 0.0026738 k( 45) = ( 0.2963712 0.3677998 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2799062 0.3751443 0.0000000), wk = 0.0026738 k( 47) = ( 0.2634411 0.3824887 0.0000000), wk = 0.0026738 k( 48) = ( 0.2469760 0.3898332 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2305110 0.3971776 0.0000000), wk = 0.0026738 k( 50) = ( 0.2140459 0.4045221 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1975808 0.4118665 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1811158 0.4192110 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1646507 0.4265554 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1481856 0.4338999 0.0000000), wk = 0.0026738 k( 55) = ( 0.1317205 0.4412444 0.0000000), wk = 0.0026738 k( 56) = ( 0.1152555 0.4485888 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987904 0.4559333 0.0000000), wk = 0.0026738 k( 58) = ( 0.0823253 0.4632777 0.0000000), wk = 0.0026738 k( 59) = ( 0.0658603 0.4706222 0.0000000), wk = 0.0026738 k( 60) = ( 0.0493952 0.4779666 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329301 0.4853111 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164651 0.4926556 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) = ( 0.0164651 0.4926556 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329301 0.4853111 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493952 0.4779666 0.5000000), wk = 0.0026738 k( 102) = ( 0.0658603 0.4706222 0.5000000), wk = 0.0026738 k( 103) = ( 0.0823253 0.4632777 0.5000000), wk = 0.0026738 k( 104) = ( 0.0987904 0.4559333 0.5000000), wk = 0.0026738 k( 105) = ( 0.1152555 0.4485888 0.5000000), wk = 0.0026738 k( 106) = ( 0.1317205 0.4412444 0.5000000), wk = 0.0026738 k( 107) = ( 0.1481856 0.4338999 0.5000000), wk = 0.0026738 k( 108) = ( 0.1646507 0.4265554 0.5000000), wk = 0.0026738 k( 109) = ( 0.1811158 0.4192110 0.5000000), wk = 0.0026738 k( 110) = ( 0.1975808 0.4118665 0.5000000), wk = 0.0026738 k( 111) = ( 0.2140459 0.4045221 0.5000000), wk = 0.0026738 k( 112) = ( 0.2305110 0.3971776 0.5000000), wk = 0.0026738 k( 113) = ( 0.2469760 0.3898332 0.5000000), wk = 0.0026738 k( 114) = ( 0.2634411 0.3824887 0.5000000), wk = 0.0026738 k( 115) = ( 0.2799062 0.3751443 0.5000000), wk = 0.0026738 k( 116) = ( 0.2963712 0.3677998 0.5000000), wk = 0.0026738 k( 117) = ( 0.3128363 0.3604554 0.5000000), wk = 0.0026738 k( 118) = ( 0.3293014 0.3531109 0.5000000), wk = 0.0026738 k( 119) = ( 0.3457665 0.3457664 0.5000000), wk = 0.0026738 k( 120) = ( 0.3457665 0.3457664 0.5000000), wk = 0.0026738 k( 121) = ( 0.3371223 0.3371223 0.5000000), wk = 0.0026738 k( 122) = ( 0.3284781 0.3284781 0.5000000), wk = 0.0026738 k( 123) = ( 0.3198340 0.3198340 0.5000000), wk = 0.0026738 k( 124) = ( 0.3111898 0.3111898 0.5000000), wk = 0.0026738 k( 125) = ( 0.3025456 0.3025456 0.5000000), wk = 0.0026738 k( 126) = ( 0.2939015 0.2939015 0.5000000), wk = 0.0026738 k( 127) = ( 0.2852573 0.2852573 0.5000000), wk = 0.0026738 k( 128) = ( 0.2766132 0.2766132 0.5000000), wk = 0.0026738 k( 129) = ( 0.2679690 0.2679690 0.5000000), wk = 0.0026738 k( 130) = ( 0.2593248 0.2593248 0.5000000), wk = 0.0026738 k( 131) = ( 0.2506807 0.2506807 0.5000000), wk = 0.0026738 k( 132) = ( 0.2420365 0.2420365 0.5000000), wk = 0.0026738 k( 133) = ( 0.2333923 0.2333924 0.5000000), wk = 0.0026738 k( 134) = ( 0.2247482 0.2247482 0.5000000), wk = 0.0026738 k( 135) = ( 0.2161040 0.2161040 0.5000000), wk = 0.0026738 k( 136) = ( 0.2074599 0.2074599 0.5000000), wk = 0.0026738 k( 137) = ( 0.1988157 0.1988157 0.5000000), wk = 0.0026738 k( 138) = ( 0.1901715 0.1901715 0.5000000), wk = 0.0026738 k( 139) = ( 0.1815274 0.1815274 0.5000000), wk = 0.0026738 k( 140) = ( 0.1728832 0.1728832 0.5000000), wk = 0.0026738 k( 141) = ( 0.1642391 0.1642391 0.5000000), wk = 0.0026738 k( 142) = ( 0.1555949 0.1555949 0.5000000), wk = 0.0026738 k( 143) = ( 0.1469507 0.1469507 0.5000000), wk = 0.0026738 k( 144) = ( 0.1383066 0.1383066 0.5000000), wk = 0.0026738 k( 145) = ( 0.1296624 0.1296624 0.5000000), wk = 0.0026738 k( 146) = ( 0.1210183 0.1210183 0.5000000), wk = 0.0026738 k( 147) = ( 0.1123741 0.1123741 0.5000000), wk = 0.0026738 k( 148) = ( 0.1037299 0.1037299 0.5000000), wk = 0.0026738 k( 149) = ( 0.0950858 0.0950858 0.5000000), wk = 0.0026738 k( 150) = ( 0.0864416 0.0864416 0.5000000), wk = 0.0026738 k( 151) = ( 0.0777975 0.0777975 0.5000000), wk = 0.0026738 k( 152) = ( 0.0691533 0.0691533 0.5000000), wk = 0.0026738 k( 153) = ( 0.0605091 0.0605091 0.5000000), wk = 0.0026738 k( 154) = ( 0.0518650 0.0518650 0.5000000), wk = 0.0026738 k( 155) = ( 0.0432208 0.0432208 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345766 0.0345766 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259325 0.0259325 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172883 0.0172883 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086442 0.0086442 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 0.1515152), 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) = ( -0.4914315 0.5085685 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828629 0.5171371 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742944 0.5257056 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657259 0.5342741 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571574 0.5428426 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485888 0.5514112 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4400203 0.5599797 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4314518 0.5685483 0.0000000), wk = 0.0026738 k( 241) = ( -0.4228832 0.5771168 0.0000000), wk = 0.0026738 k( 242) = ( -0.4143147 0.5856853 0.0000000), wk = 0.0026738 k( 243) = ( -0.4057462 0.5942538 0.0000000), wk = 0.0026738 k( 244) = ( -0.3971776 0.6028224 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3886091 0.6113909 0.0000000), wk = 0.0026738 k( 246) = ( -0.3800406 0.6199594 0.0000000), wk = 0.0026738 k( 247) = ( -0.3714720 0.6285280 0.0000000), wk = 0.0026738 k( 248) = ( -0.3629035 0.6370965 0.0000000), wk = 0.0026738 k( 249) = ( -0.3543350 0.6456650 0.0000000), wk = 0.0026738 k( 250) = ( -0.3457665 0.6542336 0.0000000), wk = 0.0026738 k( 251) = ( -0.3457665 0.6542336 0.0000000), wk = 0.0026738 k( 252) = ( -0.3457665 0.6542336 0.0151515), wk = 0.0026738 k( 253) = ( -0.3457665 0.6542336 0.0303030), wk = 0.0026738 k( 254) = ( -0.3457665 0.6542336 0.0454546), wk = 0.0026738 k( 255) = ( -0.3457665 0.6542336 0.0606061), wk = 0.0026738 k( 256) = ( -0.3457665 0.6542336 0.0757576), wk = 0.0026738 k( 257) = ( -0.3457665 0.6542336 0.0909091), wk = 0.0026738 k( 258) = ( -0.3457665 0.6542336 0.1060606), wk = 0.0026738 k( 259) = ( -0.3457665 0.6542336 0.1212121), wk = 0.0026738 k( 260) = ( -0.3457665 0.6542336 0.1363636), wk = 0.0026738 k( 261) = ( -0.3457665 0.6542336 0.1515152), wk = 0.0026738 k( 262) = ( -0.3457665 0.6542336 0.1666667), wk = 0.0026738 k( 263) = ( -0.3457665 0.6542336 0.1818182), wk = 0.0026738 k( 264) = ( -0.3457665 0.6542336 0.1969697), wk = 0.0026738 k( 265) = ( -0.3457665 0.6542336 0.2121212), wk = 0.0026738 k( 266) = ( -0.3457665 0.6542336 0.2272727), wk = 0.0026738 k( 267) = ( -0.3457665 0.6542336 0.2424242), wk = 0.0026738 k( 268) = ( -0.3457665 0.6542336 0.2575758), wk = 0.0026738 k( 269) = ( -0.3457665 0.6542336 0.2727273), wk = 0.0026738 k( 270) = ( -0.3457665 0.6542336 0.2878788), wk = 0.0026738 k( 271) = ( -0.3457665 0.6542336 0.3030303), wk = 0.0026738 k( 272) = ( -0.3457665 0.6542336 0.3181818), wk = 0.0026738 k( 273) = ( -0.3457665 0.6542336 0.3333333), wk = 0.0026738 k( 274) = ( -0.3457665 0.6542336 0.3484849), wk = 0.0026738 k( 275) = ( -0.3457665 0.6542336 0.3636364), wk = 0.0026738 k( 276) = ( -0.3457665 0.6542336 0.3787879), wk = 0.0026738 k( 277) = ( -0.3457665 0.6542336 0.3939394), wk = 0.0026738 k( 278) = ( -0.3457665 0.6542336 0.4090909), wk = 0.0026738 k( 279) = ( -0.3457665 0.6542336 0.4242424), wk = 0.0026738 k( 280) = ( -0.3457665 0.6542336 0.4393939), wk = 0.0026738 k( 281) = ( -0.3457665 0.6542336 0.4545455), wk = 0.0026738 k( 282) = ( -0.3457665 0.6542336 0.4696970), wk = 0.0026738 k( 283) = ( -0.3457665 0.6542336 0.4848485), wk = 0.0026738 k( 284) = ( -0.3457665 0.6542336 0.5000000), wk = 0.0026738 k( 285) = ( -0.3457665 0.6542336 0.5000000), wk = 0.0026738 k( 286) = ( -0.3543350 0.6456650 0.5000000), wk = 0.0026738 k( 287) = ( -0.3629035 0.6370965 0.5000000), wk = 0.0026738 k( 288) = ( -0.3714720 0.6285280 0.5000000), wk = 0.0026738 k( 289) = ( -0.3800406 0.6199594 0.5000000), wk = 0.0026738 k( 290) = ( -0.3886091 0.6113909 0.5000000), wk = 0.0026738 k( 291) = ( -0.3971776 0.6028224 0.5000000), wk = 0.0026738 k( 292) = ( -0.4057462 0.5942538 0.5000000), wk = 0.0026738 k( 293) = ( -0.4143147 0.5856853 0.5000000), wk = 0.0026738 k( 294) = ( -0.4228832 0.5771168 0.5000000), wk = 0.0026738 k( 295) = ( -0.4314518 0.5685483 0.5000000), wk = 0.0026738 k( 296) = ( -0.4400203 0.5599797 0.5000000), wk = 0.0026738 k( 297) = ( -0.4485888 0.5514112 0.5000000), wk = 0.0026738 k( 298) = ( -0.4571574 0.5428426 0.5000000), wk = 0.0026738 k( 299) = ( -0.4657259 0.5342741 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742944 0.5257056 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828629 0.5171371 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914315 0.5085685 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 0.1515152), 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: 78537 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 42.6 secs Computing kpt #: 2 total cpu time spent up to now is 45.5 secs Computing kpt #: 3 total cpu time spent up to now is 48.2 secs Computing kpt #: 4 total cpu time spent up to now is 50.8 secs Computing kpt #: 5 total cpu time spent up to now is 53.3 secs Computing kpt #: 6 total cpu time spent up to now is 55.9 secs Computing kpt #: 7 total cpu time spent up to now is 58.4 secs Computing kpt #: 8 total cpu time spent up to now is 60.9 secs Computing kpt #: 9 total cpu time spent up to now is 63.2 secs Computing kpt #: 10 total cpu time spent up to now is 65.5 secs Computing kpt #: 11 total cpu time spent up to now is 67.9 secs Computing kpt #: 12 total cpu time spent up to now is 70.2 secs Computing kpt #: 13 total cpu time spent up to now is 72.5 secs Computing kpt #: 14 total cpu time spent up to now is 74.9 secs Computing kpt #: 15 total cpu time spent up to now is 77.2 secs Computing kpt #: 16 total cpu time spent up to now is 79.6 secs Computing kpt #: 17 total cpu time spent up to now is 82.1 secs Computing kpt #: 18 total cpu time spent up to now is 84.9 secs Computing kpt #: 19 total cpu time spent up to now is 87.9 secs Computing kpt #: 20 total cpu time spent up to now is 90.9 secs Computing kpt #: 21 total cpu time spent up to now is 94.0 secs Computing kpt #: 22 total cpu time spent up to now is 96.7 secs Computing kpt #: 23 total cpu time spent up to now is 99.7 secs Computing kpt #: 24 total cpu time spent up to now is 102.8 secs Computing kpt #: 25 total cpu time spent up to now is 105.9 secs Computing kpt #: 26 total cpu time spent up to now is 108.9 secs Computing kpt #: 27 total cpu time spent up to now is 112.1 secs Computing kpt #: 28 total cpu time spent up to now is 115.2 secs Computing kpt #: 29 total cpu time spent up to now is 117.9 secs Computing kpt #: 30 total cpu time spent up to now is 121.0 secs Computing kpt #: 31 total cpu time spent up to now is 123.9 secs Computing kpt #: 32 total cpu time spent up to now is 126.9 secs Computing kpt #: 33 total cpu time spent up to now is 129.3 secs Computing kpt #: 34 total cpu time spent up to now is 132.2 secs Computing kpt #: 35 total cpu time spent up to now is 135.1 secs Computing kpt #: 36 total cpu time spent up to now is 137.9 secs Computing kpt #: 37 total cpu time spent up to now is 141.2 secs Computing kpt #: 38 total cpu time spent up to now is 144.2 secs Computing kpt #: 39 total cpu time spent up to now is 147.0 secs Computing kpt #: 40 total cpu time spent up to now is 150.3 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 155.8 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.3 secs Computing kpt #: 43 total cpu time spent up to now is 164.4 secs Computing kpt #: 44 total cpu time spent up to now is 167.1 secs Computing kpt #: 45 total cpu time spent up to now is 169.9 secs Computing kpt #: 46 total cpu time spent up to now is 173.0 secs Computing kpt #: 47 total cpu time spent up to now is 175.7 secs Computing kpt #: 48 total cpu time spent up to now is 178.6 secs Computing kpt #: 49 total cpu time spent up to now is 181.7 secs Computing kpt #: 50 total cpu time spent up to now is 184.6 secs Computing kpt #: 51 total cpu time spent up to now is 187.7 secs Computing kpt #: 52 total cpu time spent up to now is 190.8 secs Computing kpt #: 53 total cpu time spent up to now is 193.9 secs Computing kpt #: 54 total cpu time spent up to now is 197.0 secs Computing kpt #: 55 total cpu time spent up to now is 200.0 secs Computing kpt #: 56 total cpu time spent up to now is 203.0 secs Computing kpt #: 57 total cpu time spent up to now is 206.0 secs Computing kpt #: 58 total cpu time spent up to now is 208.8 secs Computing kpt #: 59 total cpu time spent up to now is 211.6 secs Computing kpt #: 60 total cpu time spent up to now is 214.3 secs Computing kpt #: 61 total cpu time spent up to now is 217.0 secs Computing kpt #: 62 total cpu time spent up to now is 219.7 secs Computing kpt #: 63 total cpu time spent up to now is 222.3 secs Computing kpt #: 64 total cpu time spent up to now is 225.0 secs Computing kpt #: 65 total cpu time spent up to now is 227.6 secs Computing kpt #: 66 total cpu time spent up to now is 230.5 secs Computing kpt #: 67 total cpu time spent up to now is 233.4 secs Computing kpt #: 68 total cpu time spent up to now is 236.3 secs Computing kpt #: 69 total cpu time spent up to now is 239.3 secs Computing kpt #: 70 total cpu time spent up to now is 242.6 secs Computing kpt #: 71 total cpu time spent up to now is 245.9 secs Computing kpt #: 72 total cpu time spent up to now is 249.3 secs Computing kpt #: 73 total cpu time spent up to now is 252.7 secs Computing kpt #: 74 total cpu time spent up to now is 256.4 secs Computing kpt #: 75 total cpu time spent up to now is 260.3 secs Computing kpt #: 76 total cpu time spent up to now is 264.4 secs Computing kpt #: 77 total cpu time spent up to now is 268.5 secs Computing kpt #: 78 total cpu time spent up to now is 273.0 secs Computing kpt #: 79 total cpu time spent up to now is 277.8 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.0 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.4 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.7 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.1 secs Computing kpt #: 84 total cpu time spent up to now is 303.3 secs Computing kpt #: 85 total cpu time spent up to now is 306.8 secs Computing kpt #: 86 total cpu time spent up to now is 310.2 secs Computing kpt #: 87 total cpu time spent up to now is 313.4 secs Computing kpt #: 88 total cpu time spent up to now is 316.6 secs Computing kpt #: 89 total cpu time spent up to now is 319.7 secs Computing kpt #: 90 total cpu time spent up to now is 322.7 secs Computing kpt #: 91 total cpu time spent up to now is 325.9 secs Computing kpt #: 92 total cpu time spent up to now is 328.8 secs Computing kpt #: 93 total cpu time spent up to now is 331.6 secs Computing kpt #: 94 total cpu time spent up to now is 334.5 secs Computing kpt #: 95 total cpu time spent up to now is 337.6 secs Computing kpt #: 96 total cpu time spent up to now is 340.5 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 345.6 secs Computing kpt #: 98 total cpu time spent up to now is 349.3 secs Computing kpt #: 99 total cpu time spent up to now is 352.6 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 357.8 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.0 secs Computing kpt #: 102 total cpu time spent up to now is 366.3 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.5 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 376.4 secs Computing kpt #: 105 total cpu time spent up to now is 379.7 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 384.6 secs Computing kpt #: 107 total cpu time spent up to now is 387.9 secs Computing kpt #: 108 total cpu time spent up to now is 391.1 secs Computing kpt #: 109 total cpu time spent up to now is 394.3 secs Computing kpt #: 110 total cpu time spent up to now is 397.6 secs Computing kpt #: 111 total cpu time spent up to now is 401.0 secs Computing kpt #: 112 total cpu time spent up to now is 404.3 secs Computing kpt #: 113 total cpu time spent up to now is 407.8 secs Computing kpt #: 114 total cpu time spent up to now is 411.1 secs Computing kpt #: 115 total cpu time spent up to now is 414.6 secs Computing kpt #: 116 total cpu time spent up to now is 418.1 secs Computing kpt #: 117 total cpu time spent up to now is 422.9 secs Computing kpt #: 118 total cpu time spent up to now is 427.6 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.7 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 437.7 secs Computing kpt #: 121 total cpu time spent up to now is 443.0 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 448.2 secs Computing kpt #: 123 total cpu time spent up to now is 451.5 secs Computing kpt #: 124 total cpu time spent up to now is 454.0 secs Computing kpt #: 125 total cpu time spent up to now is 457.2 secs Computing kpt #: 126 total cpu time spent up to now is 460.7 secs Computing kpt #: 127 total cpu time spent up to now is 463.2 secs Computing kpt #: 128 total cpu time spent up to now is 465.7 secs Computing kpt #: 129 total cpu time spent up to now is 468.2 secs Computing kpt #: 130 total cpu time spent up to now is 471.3 secs Computing kpt #: 131 total cpu time spent up to now is 475.7 secs Computing kpt #: 132 total cpu time spent up to now is 478.9 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 483.9 secs Computing kpt #: 134 total cpu time spent up to now is 487.5 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.4 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 497.3 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 502.4 secs Computing kpt #: 138 total cpu time spent up to now is 507.1 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 512.1 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.0 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 521.8 secs Computing kpt #: 142 total cpu time spent up to now is 526.3 secs Computing kpt #: 143 total cpu time spent up to now is 530.6 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 535.4 secs Computing kpt #: 145 total cpu time spent up to now is 540.1 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 544.9 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 549.8 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 554.6 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.5 secs Computing kpt #: 150 total cpu time spent up to now is 562.9 secs Computing kpt #: 151 total cpu time spent up to now is 568.3 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 573.3 secs Computing kpt #: 153 total cpu time spent up to now is 577.8 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 582.6 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 587.5 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 592.3 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 597.1 secs Computing kpt #: 158 total cpu time spent up to now is 600.5 secs Computing kpt #: 159 total cpu time spent up to now is 602.9 secs Computing kpt #: 160 total cpu time spent up to now is 605.1 secs Computing kpt #: 161 total cpu time spent up to now is 607.3 secs Computing kpt #: 162 total cpu time spent up to now is 610.2 secs Computing kpt #: 163 total cpu time spent up to now is 613.0 secs Computing kpt #: 164 total cpu time spent up to now is 615.7 secs Computing kpt #: 165 total cpu time spent up to now is 618.4 secs Computing kpt #: 166 total cpu time spent up to now is 621.2 secs Computing kpt #: 167 total cpu time spent up to now is 623.8 secs Computing kpt #: 168 total cpu time spent up to now is 626.4 secs Computing kpt #: 169 total cpu time spent up to now is 629.2 secs Computing kpt #: 170 total cpu time spent up to now is 631.9 secs Computing kpt #: 171 total cpu time spent up to now is 634.7 secs Computing kpt #: 172 total cpu time spent up to now is 637.7 secs Computing kpt #: 173 total cpu time spent up to now is 640.7 secs Computing kpt #: 174 total cpu time spent up to now is 644.2 secs Computing kpt #: 175 total cpu time spent up to now is 647.6 secs Computing kpt #: 176 total cpu time spent up to now is 652.3 secs Computing kpt #: 177 total cpu time spent up to now is 655.1 secs Computing kpt #: 178 total cpu time spent up to now is 657.5 secs Computing kpt #: 179 total cpu time spent up to now is 660.0 secs Computing kpt #: 180 total cpu time spent up to now is 662.6 secs Computing kpt #: 181 total cpu time spent up to now is 664.9 secs Computing kpt #: 182 total cpu time spent up to now is 667.3 secs Computing kpt #: 183 total cpu time spent up to now is 669.9 secs Computing kpt #: 184 total cpu time spent up to now is 672.8 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 678.0 secs Computing kpt #: 186 total cpu time spent up to now is 682.7 secs Computing kpt #: 187 total cpu time spent up to now is 686.8 secs Computing kpt #: 188 total cpu time spent up to now is 690.6 secs Computing kpt #: 189 total cpu time spent up to now is 693.8 secs Computing kpt #: 190 total cpu time spent up to now is 696.8 secs Computing kpt #: 191 total cpu time spent up to now is 699.5 secs Computing kpt #: 192 total cpu time spent up to now is 702.1 secs Computing kpt #: 193 total cpu time spent up to now is 704.8 secs Computing kpt #: 194 total cpu time spent up to now is 707.4 secs Computing kpt #: 195 total cpu time spent up to now is 710.1 secs Computing kpt #: 196 total cpu time spent up to now is 712.7 secs Computing kpt #: 197 total cpu time spent up to now is 715.5 secs Computing kpt #: 198 total cpu time spent up to now is 718.2 secs Computing kpt #: 199 total cpu time spent up to now is 721.1 secs Computing kpt #: 200 total cpu time spent up to now is 723.9 secs Computing kpt #: 201 total cpu time spent up to now is 726.5 secs Computing kpt #: 202 total cpu time spent up to now is 729.2 secs Computing kpt #: 203 total cpu time spent up to now is 732.0 secs Computing kpt #: 204 total cpu time spent up to now is 734.7 secs Computing kpt #: 205 total cpu time spent up to now is 737.5 secs Computing kpt #: 206 total cpu time spent up to now is 740.5 secs Computing kpt #: 207 total cpu time spent up to now is 743.7 secs Computing kpt #: 208 total cpu time spent up to now is 746.6 secs Computing kpt #: 209 total cpu time spent up to now is 749.5 secs Computing kpt #: 210 total cpu time spent up to now is 752.4 secs Computing kpt #: 211 total cpu time spent up to now is 755.1 secs Computing kpt #: 212 total cpu time spent up to now is 758.1 secs Computing kpt #: 213 total cpu time spent up to now is 760.9 secs Computing kpt #: 214 total cpu time spent up to now is 763.6 secs Computing kpt #: 215 total cpu time spent up to now is 766.4 secs Computing kpt #: 216 total cpu time spent up to now is 769.2 secs Computing kpt #: 217 total cpu time spent up to now is 771.9 secs Computing kpt #: 218 total cpu time spent up to now is 774.5 secs Computing kpt #: 219 total cpu time spent up to now is 777.3 secs Computing kpt #: 220 total cpu time spent up to now is 780.1 secs Computing kpt #: 221 total cpu time spent up to now is 782.9 secs Computing kpt #: 222 total cpu time spent up to now is 785.5 secs Computing kpt #: 223 total cpu time spent up to now is 788.3 secs Computing kpt #: 224 total cpu time spent up to now is 790.9 secs Computing kpt #: 225 total cpu time spent up to now is 793.7 secs Computing kpt #: 226 total cpu time spent up to now is 796.4 secs Computing kpt #: 227 total cpu time spent up to now is 799.3 secs Computing kpt #: 228 total cpu time spent up to now is 801.9 secs Computing kpt #: 229 total cpu time spent up to now is 804.6 secs Computing kpt #: 230 total cpu time spent up to now is 807.2 secs Computing kpt #: 231 total cpu time spent up to now is 809.8 secs Computing kpt #: 232 total cpu time spent up to now is 812.4 secs Computing kpt #: 233 total cpu time spent up to now is 815.1 secs Computing kpt #: 234 total cpu time spent up to now is 817.8 secs Computing kpt #: 235 total cpu time spent up to now is 820.7 secs Computing kpt #: 236 total cpu time spent up to now is 823.6 secs Computing kpt #: 237 total cpu time spent up to now is 826.6 secs Computing kpt #: 238 total cpu time spent up to now is 829.6 secs Computing kpt #: 239 total cpu time spent up to now is 834.5 secs Computing kpt #: 240 total cpu time spent up to now is 837.4 secs Computing kpt #: 241 total cpu time spent up to now is 840.5 secs Computing kpt #: 242 total cpu time spent up to now is 843.4 secs Computing kpt #: 243 total cpu time spent up to now is 846.4 secs Computing kpt #: 244 total cpu time spent up to now is 849.4 secs Computing kpt #: 245 total cpu time spent up to now is 852.2 secs Computing kpt #: 246 total cpu time spent up to now is 855.0 secs Computing kpt #: 247 total cpu time spent up to now is 857.7 secs Computing kpt #: 248 total cpu time spent up to now is 860.8 secs Computing kpt #: 249 total cpu time spent up to now is 864.2 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 869.6 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 875.1 secs Computing kpt #: 252 total cpu time spent up to now is 880.2 secs Computing kpt #: 253 total cpu time spent up to now is 885.4 secs Computing kpt #: 254 total cpu time spent up to now is 889.8 secs Computing kpt #: 255 total cpu time spent up to now is 894.3 secs Computing kpt #: 256 total cpu time spent up to now is 898.0 secs Computing kpt #: 257 total cpu time spent up to now is 900.8 secs Computing kpt #: 258 total cpu time spent up to now is 903.5 secs Computing kpt #: 259 total cpu time spent up to now is 906.2 secs Computing kpt #: 260 total cpu time spent up to now is 908.7 secs Computing kpt #: 261 total cpu time spent up to now is 911.2 secs Computing kpt #: 262 total cpu time spent up to now is 913.7 secs Computing kpt #: 263 total cpu time spent up to now is 916.1 secs Computing kpt #: 264 total cpu time spent up to now is 918.6 secs Computing kpt #: 265 total cpu time spent up to now is 921.0 secs Computing kpt #: 266 total cpu time spent up to now is 923.4 secs Computing kpt #: 267 total cpu time spent up to now is 925.7 secs Computing kpt #: 268 total cpu time spent up to now is 928.2 secs Computing kpt #: 269 total cpu time spent up to now is 930.7 secs Computing kpt #: 270 total cpu time spent up to now is 933.1 secs Computing kpt #: 271 total cpu time spent up to now is 935.5 secs Computing kpt #: 272 total cpu time spent up to now is 938.0 secs Computing kpt #: 273 total cpu time spent up to now is 940.4 secs Computing kpt #: 274 total cpu time spent up to now is 942.9 secs Computing kpt #: 275 total cpu time spent up to now is 945.4 secs Computing kpt #: 276 total cpu time spent up to now is 947.8 secs Computing kpt #: 277 total cpu time spent up to now is 950.2 secs Computing kpt #: 278 total cpu time spent up to now is 952.6 secs Computing kpt #: 279 total cpu time spent up to now is 955.1 secs Computing kpt #: 280 total cpu time spent up to now is 957.7 secs Computing kpt #: 281 total cpu time spent up to now is 960.4 secs Computing kpt #: 282 total cpu time spent up to now is 963.3 secs Computing kpt #: 283 total cpu time spent up to now is 966.4 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 971.4 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 976.5 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 981.8 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 987.0 secs Computing kpt #: 288 total cpu time spent up to now is 989.2 secs Computing kpt #: 289 total cpu time spent up to now is 991.5 secs Computing kpt #: 290 total cpu time spent up to now is 995.1 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1000.3 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.6 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1010.7 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1015.9 secs Computing kpt #: 295 total cpu time spent up to now is 1019.5 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1024.6 secs Computing kpt #: 297 total cpu time spent up to now is 1028.1 secs Computing kpt #: 298 total cpu time spent up to now is 1032.8 secs Computing kpt #: 299 total cpu time spent up to now is 1036.4 secs Computing kpt #: 300 total cpu time spent up to now is 1039.6 secs Computing kpt #: 301 total cpu time spent up to now is 1042.6 secs Computing kpt #: 302 total cpu time spent up to now is 1045.0 secs Computing kpt #: 303 total cpu time spent up to now is 1047.3 secs Computing kpt #: 304 total cpu time spent up to now is 1049.5 secs Computing kpt #: 305 total cpu time spent up to now is 1052.4 secs Computing kpt #: 306 total cpu time spent up to now is 1055.0 secs Computing kpt #: 307 total cpu time spent up to now is 1057.8 secs Computing kpt #: 308 total cpu time spent up to now is 1060.4 secs Computing kpt #: 309 total cpu time spent up to now is 1063.0 secs Computing kpt #: 310 total cpu time spent up to now is 1065.6 secs Computing kpt #: 311 total cpu time spent up to now is 1068.1 secs Computing kpt #: 312 total cpu time spent up to now is 1070.5 secs Computing kpt #: 313 total cpu time spent up to now is 1072.9 secs Computing kpt #: 314 total cpu time spent up to now is 1075.3 secs Computing kpt #: 315 total cpu time spent up to now is 1077.6 secs Computing kpt #: 316 total cpu time spent up to now is 1079.8 secs Computing kpt #: 317 total cpu time spent up to now is 1082.2 secs Computing kpt #: 318 total cpu time spent up to now is 1084.4 secs Computing kpt #: 319 total cpu time spent up to now is 1086.7 secs Computing kpt #: 320 total cpu time spent up to now is 1089.0 secs Computing kpt #: 321 total cpu time spent up to now is 1091.3 secs Computing kpt #: 322 total cpu time spent up to now is 1093.7 secs Computing kpt #: 323 total cpu time spent up to now is 1096.6 secs Computing kpt #: 324 total cpu time spent up to now is 1101.0 secs Computing kpt #: 325 total cpu time spent up to now is 1104.2 secs Computing kpt #: 326 total cpu time spent up to now is 1107.2 secs Computing kpt #: 327 total cpu time spent up to now is 1109.9 secs Computing kpt #: 328 total cpu time spent up to now is 1112.9 secs Computing kpt #: 329 total cpu time spent up to now is 1115.9 secs Computing kpt #: 330 total cpu time spent up to now is 1118.8 secs Computing kpt #: 331 total cpu time spent up to now is 1121.5 secs Computing kpt #: 332 total cpu time spent up to now is 1124.2 secs Computing kpt #: 333 total cpu time spent up to now is 1126.7 secs Computing kpt #: 334 total cpu time spent up to now is 1129.4 secs Computing kpt #: 335 total cpu time spent up to now is 1132.0 secs Computing kpt #: 336 total cpu time spent up to now is 1134.6 secs Computing kpt #: 337 total cpu time spent up to now is 1137.3 secs Computing kpt #: 338 total cpu time spent up to now is 1139.5 secs Computing kpt #: 339 total cpu time spent up to now is 1142.9 secs Computing kpt #: 340 total cpu time spent up to now is 1146.4 secs Computing kpt #: 341 total cpu time spent up to now is 1149.9 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1154.9 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1159.9 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1164.9 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1170.0 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1174.8 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1179.7 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1184.5 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1189.4 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1194.3 secs Computing kpt #: 351 total cpu time spent up to now is 1198.9 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1204.0 secs Computing kpt #: 353 total cpu time spent up to now is 1207.5 secs Computing kpt #: 354 total cpu time spent up to now is 1211.0 secs Computing kpt #: 355 total cpu time spent up to now is 1214.6 secs Computing kpt #: 356 total cpu time spent up to now is 1218.1 secs Computing kpt #: 357 total cpu time spent up to now is 1221.4 secs Computing kpt #: 358 total cpu time spent up to now is 1224.7 secs Computing kpt #: 359 total cpu time spent up to now is 1227.8 secs Computing kpt #: 360 total cpu time spent up to now is 1231.4 secs Computing kpt #: 361 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1236.4 secs Computing kpt #: 362 total cpu time spent up to now is 1239.8 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1244.7 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1249.7 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1254.8 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1260.1 secs Computing kpt #: 367 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1265.0 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1269.8 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1275.3 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1280.0 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1285.1 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1290.0 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1295.1 secs Computing kpt #: 374 total cpu time spent up to now is 1297.3 secs ethr = 2.08E-11, avg # of iterations = 59.3 total cpu time spent up to now is 1297.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4325 PWs) bands (ev): -13.9549 -13.9549 -13.4618 -13.4618 -10.7877 -10.7877 -9.0503 -9.0503 -8.8520 -8.8520 -8.7995 -8.7995 -3.6545 -3.6545 -3.3447 -3.3447 -2.8298 -2.8298 -0.6641 -0.6641 -0.1388 -0.1388 -0.0417 -0.0417 0.2442 0.2442 1.0950 1.0950 1.3987 1.3987 2.0900 2.0900 2.4275 2.4275 3.2406 3.2406 3.4545 3.4545 3.7599 3.7599 3.7764 3.7764 4.4235 4.4235 4.6672 4.6672 5.5079 5.5079 10.6445 10.6445 12.0811 12.0811 12.0836 12.0836 12.8787 12.8787 13.5515 13.5515 k = 0.0086 0.0140-0.0000 ( 4327 PWs) bands (ev): -13.9547 -13.9546 -13.4618 -13.4618 -10.7870 -10.7870 -9.0661 -9.0639 -8.8406 -8.8378 -8.7992 -8.7989 -3.6583 -3.6582 -3.3388 -3.3383 -2.8290 -2.8288 -0.6642 -0.6636 -0.1398 -0.1395 -0.0412 -0.0410 0.2402 0.2413 1.0999 1.1016 1.3974 1.3981 2.0881 2.0891 2.4274 2.4277 3.2380 3.2386 3.4548 3.4548 3.7526 3.7640 3.7693 3.7805 4.4238 4.4239 4.6664 4.6668 5.5068 5.5071 10.6475 10.6475 12.0830 12.0834 12.0839 12.0842 12.8786 12.8795 13.5498 13.5513 k = 0.0173 0.0279-0.0000 ( 4331 PWs) bands (ev): -13.9539 -13.9538 -13.4619 -13.4619 -10.7851 -10.7851 -9.1032 -9.0999 -8.8108 -8.8064 -8.7978 -8.7974 -3.6688 -3.6686 -3.3216 -3.3205 -2.8262 -2.8258 -0.6641 -0.6629 -0.1426 -0.1418 -0.0396 -0.0393 0.2299 0.2320 1.1159 1.1193 1.3941 1.3956 2.0835 2.0856 2.4273 2.4280 3.2311 3.2322 3.4558 3.4558 3.7419 3.7573 3.7668 3.7820 4.4245 4.4247 4.6643 4.6650 5.5039 5.5045 10.6564 10.6565 12.0849 12.0856 12.0891 12.0899 12.8792 12.8809 13.5461 13.5490 k = 0.0259 0.0419-0.0000 ( 4325 PWs) bands (ev): -13.9525 -13.9525 -13.4621 -13.4621 -10.7819 -10.7818 -9.1511 -9.1475 -8.7963 -8.7952 -8.7727 -8.7677 -3.6837 -3.6835 -3.2950 -3.2936 -2.8215 -2.8209 -0.6640 -0.6622 -0.1470 -0.1459 -0.0371 -0.0367 0.2148 0.2177 1.1419 1.1467 1.3890 1.3912 2.0762 2.0792 2.4272 2.4283 3.2200 3.2217 3.4575 3.4576 3.7271 3.7420 3.7666 3.7813 4.4259 4.4262 4.6609 4.6619 5.4992 5.5002 10.6712 10.6713 12.0867 12.0878 12.0991 12.1004 12.8806 12.8832 13.5398 13.5439 k = 0.0346 0.0559-0.0000 ( 4325 PWs) bands (ev): -13.9507 -13.9506 -13.4623 -13.4623 -10.7773 -10.7772 -9.2047 -9.2010 -8.7933 -8.7920 -8.7330 -8.7274 -3.7010 -3.7008 -3.2615 -3.2597 -2.8149 -2.8141 -0.6642 -0.6618 -0.1531 -0.1516 -0.0344 -0.0338 0.1974 0.2009 1.1765 1.1826 1.3819 1.3848 2.0662 2.0702 2.4271 2.4286 3.2051 3.2073 3.4599 3.4600 3.7081 3.7222 3.7648 3.7787 4.4278 4.4282 4.6561 4.6573 5.4929 5.4942 10.6918 10.6919 12.0893 12.0907 12.1130 12.1147 12.8831 12.8865 13.5299 13.5351 k = 0.0432 0.0698-0.0000 ( 4319 PWs) bands (ev): -13.9483 -13.9482 -13.4626 -13.4626 -10.7715 -10.7714 -9.2617 -9.2580 -8.7896 -8.7880 -8.6935 -8.6875 -3.7188 -3.7188 -3.2227 -3.2206 -2.8064 -2.8054 -0.6651 -0.6620 -0.1610 -0.1591 -0.0323 -0.0314 0.1804 0.1842 1.2181 1.2252 1.3728 1.3765 2.0534 2.0584 2.4267 2.4288 3.1869 3.1896 3.4630 3.4631 3.6843 3.6978 3.7615 3.7747 4.4302 4.4307 4.6498 4.6512 5.4851 5.4867 10.7179 10.7180 12.0925 12.0943 12.1304 12.1326 12.8869 12.8909 13.5159 13.5218 k = 0.0519 0.0838-0.0000 ( 4323 PWs) bands (ev): -13.9454 -13.9453 -13.4630 -13.4630 -10.7643 -10.7642 -9.3209 -9.3174 -8.7850 -8.7832 -8.6554 -8.6491 -3.7361 -3.7360 -3.1800 -3.1778 -2.7960 -2.7948 -0.6673 -0.6634 -0.1707 -0.1685 -0.0317 -0.0306 0.1669 0.1707 1.2651 1.2730 1.3619 1.3661 2.0380 2.0437 2.4262 2.4288 3.1658 3.1691 3.4669 3.4671 3.6558 3.6685 3.7568 3.7693 4.4332 4.4339 4.6418 4.6435 5.4760 5.4780 10.7493 10.7495 12.0963 12.0984 12.1511 12.1537 12.8923 12.8969 13.4977 13.5041 k = 0.0605 0.0978-0.0000 ( 4317 PWs) bands (ev): -13.9420 -13.9419 -13.4634 -13.4634 -10.7559 -10.7557 -9.3817 -9.3784 -8.7797 -8.7775 -8.6195 -8.6129 -3.7520 -3.7518 -3.1344 -3.1320 -2.7836 -2.7822 -0.6713 -0.6667 -0.1822 -0.1796 -0.0335 -0.0322 0.1596 0.1632 1.3162 1.3248 1.3490 1.3539 2.0198 2.0263 2.4253 2.4285 3.1425 3.1464 3.4716 3.4718 3.6225 3.6345 3.7509 3.7628 4.4369 4.4376 4.6320 4.6339 5.4659 5.4682 10.7859 10.7861 12.1006 12.1031 12.1747 12.1777 12.8995 12.9046 13.4758 13.4823 k = 0.0692 0.1117-0.0000 ( 4321 PWs) bands (ev): -13.9381 -13.9381 -13.4639 -13.4639 -10.7461 -10.7459 -9.4437 -9.4406 -8.7735 -8.7711 -8.5860 -8.5791 -3.7660 -3.7656 -3.0866 -3.0839 -2.7694 -2.7678 -0.6779 -0.6726 -0.1957 -0.1926 -0.0378 -0.0363 0.1601 0.1636 1.3337 1.3394 1.3706 1.3799 1.9988 2.0060 2.4239 2.4277 3.1176 3.1220 3.4771 3.4774 3.5846 3.5958 3.7438 3.7552 4.4411 4.4419 4.6203 4.6223 5.4549 5.4575 10.8273 10.8275 12.1052 12.1081 12.2008 12.2042 12.9090 12.9144 13.4511 13.4576 k = 0.0778 0.1257-0.0000 ( 4309 PWs) bands (ev): -13.9338 -13.9337 -13.4644 -13.4644 -10.7350 -10.7348 -9.5067 -9.5036 -8.7666 -8.7639 -8.5552 -8.5481 -3.7777 -3.7771 -3.0369 -3.0341 -2.7534 -2.7516 -0.6878 -0.6817 -0.2110 -0.2076 -0.0434 -0.0418 0.1689 0.1722 1.3168 1.3230 1.4270 1.4368 1.9750 1.9829 2.4219 2.4265 3.0918 3.0967 3.4831 3.4839 3.5426 3.5529 3.7355 3.7465 4.4459 4.4467 4.6064 4.6085 5.4432 5.4461 10.8731 10.8734 12.1100 12.1133 12.2292 12.2330 12.9209 12.9265 13.4246 13.4310 k = 0.0864 0.1397-0.0000 ( 4317 PWs) bands (ev): -13.9290 -13.9289 -13.4650 -13.4650 -10.7226 -10.7224 -9.5702 -9.5674 -8.7589 -8.7559 -8.5273 -8.5200 -3.7869 -3.7862 -2.9859 -2.9830 -2.7354 -2.7334 -0.7014 -0.6946 -0.2284 -0.2246 -0.0483 -0.0468 0.1850 0.1883 1.2977 1.3045 1.4849 1.4951 1.9485 1.9569 2.4193 2.4246 3.0655 3.0710 3.4848 3.4906 3.5018 3.5066 3.7263 3.7369 4.4513 4.4522 4.5902 4.5923 5.4310 5.4343 10.9231 10.9235 12.1150 12.1186 12.2594 12.2637 12.9355 12.9412 13.3974 13.4036 k = 0.0951 0.1536-0.0000 ( 4315 PWs) bands (ev): -13.9237 -13.9237 -13.4657 -13.4656 -10.7089 -10.7086 -9.6342 -9.6316 -8.7505 -8.7472 -8.5023 -8.4948 -3.7935 -3.7926 -2.9338 -2.9308 -2.7156 -2.7134 -0.7189 -0.7115 -0.2479 -0.2437 -0.0508 -0.0495 0.2075 0.2108 1.2764 1.2838 1.5436 1.5541 1.9192 1.9281 2.4159 2.4221 3.0395 3.0455 3.4430 3.4543 3.5007 3.5017 3.7159 3.7263 4.4573 4.4584 4.5715 4.5737 5.4185 5.4220 10.9768 10.9773 12.1198 12.1239 12.2913 12.2959 12.9529 12.9586 13.3704 13.3763 k = 0.1037 0.1676-0.0000 ( 4321 PWs) bands (ev): -13.9181 -13.9180 -13.4664 -13.4663 -10.6938 -10.6935 -9.6985 -9.6960 -8.7414 -8.7378 -8.4804 -8.4728 -3.7975 -3.7964 -2.8810 -2.8779 -2.6939 -2.6915 -0.7405 -0.7325 -0.2695 -0.2650 -0.0496 -0.0484 0.2355 0.2388 1.2530 1.2608 1.6026 1.6135 1.8872 1.8965 2.4117 2.4187 3.0140 3.0206 3.3900 3.4004 3.5102 3.5109 3.7046 3.7147 4.4640 4.4651 4.5503 4.5525 5.4056 5.4094 11.0340 11.0346 12.1244 12.1289 12.3246 12.3297 12.9731 12.9785 13.3444 13.3501 k = 0.1124 0.1816-0.0000 ( 4325 PWs) bands (ev): -13.9120 -13.9119 -13.4671 -13.4671 -10.6774 -10.6771 -9.7629 -9.7605 -8.7316 -8.7278 -8.4616 -8.4538 -3.7988 -3.7977 -2.8277 -2.8245 -2.6704 -2.6679 -0.7657 -0.7572 -0.2934 -0.2885 -0.0440 -0.0430 0.2683 0.2718 1.2273 1.2356 1.6616 1.6727 1.8526 1.8623 2.4066 2.4146 2.9894 2.9965 3.3339 3.3438 3.5211 3.5217 3.6924 3.7023 4.4714 4.4726 4.5265 4.5287 5.3925 5.3966 11.0941 11.0949 12.1287 12.1336 12.3593 12.3647 12.9957 13.0009 13.3204 13.3256 k = 0.1210 0.1955-0.0000 ( 4325 PWs) bands (ev): -13.9056 -13.9055 -13.4679 -13.4679 -10.6597 -10.6594 -9.8272 -9.8250 -8.7212 -8.7171 -8.4459 -8.4379 -3.7977 -3.7964 -2.7740 -2.7709 -2.6451 -2.6424 -0.7940 -0.7852 -0.3195 -0.3142 -0.0340 -0.0331 0.3055 0.3092 1.1992 1.2079 1.7201 1.7314 1.8156 1.8256 2.4008 2.4096 2.9660 2.9736 3.2756 3.2853 3.5334 3.5339 3.6792 3.6890 4.4794 4.4806 4.5001 4.5023 5.3791 5.3835 11.1569 11.1578 12.1326 12.1378 12.3953 12.4009 13.0204 13.0250 13.2992 13.3039 k = 0.1297 0.2095-0.0000 ( 4321 PWs) bands (ev): -13.8989 -13.8988 -13.4687 -13.4687 -10.6407 -10.6403 -9.8914 -9.8893 -8.7103 -8.7059 -8.4331 -8.4251 -3.7941 -3.7927 -2.7203 -2.7171 -2.6180 -2.6151 -0.8247 -0.8157 -0.3481 -0.3424 -0.0198 -0.0188 0.3468 0.3507 1.1687 1.1778 1.7756 1.7785 1.7866 1.7895 2.3940 2.4037 2.9435 2.9515 3.2162 3.2256 3.5470 3.5475 3.6652 3.6749 4.4711 4.4733 4.4881 4.4895 5.3654 5.3700 11.2219 11.2229 12.1358 12.1415 12.4323 12.4383 13.0461 13.0499 13.2821 13.2862 k = 0.1383 0.2235-0.0000 ( 4317 PWs) bands (ev): -13.8918 -13.8917 -13.4696 -13.4695 -10.6203 -10.6199 -9.9552 -9.9533 -8.6988 -8.6942 -8.4233 -8.4152 -3.7883 -3.7869 -2.6667 -2.6635 -2.5891 -2.5860 -0.8572 -0.8480 -0.3791 -0.3730 -0.0017 -0.0007 0.3920 0.3962 1.1356 1.1451 1.7351 1.7458 1.8345 1.8463 2.3865 2.3970 2.9217 2.9301 3.1567 3.1660 3.5621 3.5627 3.6505 3.6600 4.4397 4.4418 4.4976 4.4990 5.3514 5.3562 11.2888 11.2900 12.1384 12.1445 12.4705 12.4768 13.0711 13.0739 13.2712 13.2743 k = 0.1470 0.2374-0.0000 ( 4321 PWs) bands (ev): -13.8844 -13.8843 -13.4704 -13.4704 -10.5986 -10.5982 -10.0186 -10.0168 -8.6869 -8.6820 -8.4164 -8.4082 -3.7805 -3.7790 -2.6134 -2.6102 -2.5585 -2.5551 -0.8906 -0.8813 -0.4125 -0.4061 0.0200 0.0210 0.4409 0.4453 1.0999 1.1097 1.6924 1.7033 1.8899 1.9018 2.3783 2.3896 2.8996 2.9081 3.0986 3.1078 3.5785 3.5793 3.6351 3.6444 4.4060 4.4080 4.5077 4.5092 5.3369 5.3419 11.3572 11.3585 12.1403 12.1468 12.5094 12.5161 13.0932 13.0945 13.2690 13.2708 k = 0.1556 0.2514-0.0000 ( 4319 PWs) bands (ev): -13.8768 -13.8767 -13.4714 -13.4713 -10.5756 -10.5751 -10.0816 -10.0799 -8.6745 -8.6694 -8.4122 -8.4039 -3.7709 -3.7693 -2.5606 -2.5574 -2.5261 -2.5226 -0.9244 -0.9151 -0.4484 -0.4417 0.0446 0.0458 0.4933 0.4980 1.0613 1.0714 1.6483 1.6595 1.9439 1.9560 2.3695 2.3814 2.8752 2.8839 3.0442 3.0535 3.5956 3.5974 3.6199 3.6283 4.3700 4.3720 4.5187 4.5202 5.3218 5.3270 11.4267 11.4282 12.1415 12.1484 12.5488 12.5558 13.1097 13.1098 13.2780 13.2785 k = 0.1642 0.2654-0.0000 ( 4315 PWs) bands (ev): -13.8690 -13.8689 -13.4723 -13.4723 -10.5513 -10.5507 -10.1439 -10.1423 -8.6618 -8.6564 -8.4106 -8.4024 -3.7597 -3.7581 -2.5083 -2.5052 -2.4920 -2.4883 -0.9579 -0.9486 -0.4869 -0.4799 0.0720 0.0733 0.5490 0.5540 1.0199 1.0302 1.6034 1.6148 1.9962 2.0084 2.3602 2.3727 2.8457 2.8542 2.9971 3.0066 3.5982 3.6085 3.6203 3.6203 4.3320 4.3340 4.5304 4.5320 5.3060 5.3114 11.4970 11.4988 12.1420 12.1493 12.5880 12.5954 13.1197 13.1208 13.2978 13.2983 k = 0.1729 0.2793-0.0000 ( 4315 PWs) bands (ev): -13.8609 -13.8608 -13.4732 -13.4732 -10.5256 -10.5250 -10.2054 -10.2040 -8.6488 -8.6432 -8.4115 -8.4033 -3.7472 -3.7456 -2.4570 -2.4561 -2.4542 -2.4518 -0.9907 -0.9814 -0.5279 -0.5205 0.1017 0.1031 0.6078 0.6131 0.9753 0.9859 1.5581 1.5696 2.0468 2.0592 2.3505 2.3636 2.8078 2.8162 2.9605 2.9704 3.5820 3.5924 3.6406 3.6406 4.2922 4.2941 4.5429 4.5445 5.2894 5.2950 11.5679 11.5699 12.1418 12.1496 12.6259 12.6336 13.1276 13.1294 13.3266 13.3275 k = 0.1815 0.2933-0.0000 ( 4323 PWs) bands (ev): -13.8527 -13.8526 -13.4742 -13.4742 -10.4985 -10.4979 -10.2662 -10.2649 -8.6356 -8.6297 -8.4147 -8.4065 -3.7338 -3.7321 -2.4189 -2.4149 -2.4062 -2.4030 -1.0222 -1.0130 -0.5712 -0.5636 0.1334 0.1350 0.6694 0.6750 0.9275 0.9382 1.5127 1.5244 2.0956 2.1081 2.3404 2.3540 2.7616 2.7697 2.9348 2.9450 3.5640 3.5743 3.6640 3.6641 4.2507 4.2525 4.5562 4.5579 5.2720 5.2778 11.6391 11.6413 12.1411 12.1493 12.6611 12.6692 13.1377 13.1396 13.3615 13.3625 k = 0.1902 0.3073-0.0000 ( 4325 PWs) bands (ev): -13.8443 -13.8442 -13.4751 -13.4751 -10.4702 -10.4695 -10.3261 -10.3248 -8.6222 -8.6161 -8.4201 -8.4119 -3.7196 -3.7179 -2.3799 -2.3757 -2.3565 -2.3535 -1.0521 -1.0430 -0.6169 -0.6090 0.1669 0.1687 0.7337 0.7396 0.8764 0.8872 1.4676 1.4795 2.1425 2.1551 2.3302 2.3442 2.7099 2.7179 2.9175 2.9279 3.5453 3.5556 3.6893 3.6896 4.2076 4.2094 4.5703 4.5720 5.2537 5.2596 11.7105 11.7129 12.1399 12.1485 12.6919 12.7002 13.1536 13.1554 13.3999 13.4007 k = 0.1988 0.3212-0.0000 ( 4325 PWs) bands (ev): -13.8359 -13.8358 -13.4761 -13.4761 -10.4406 -10.4398 -10.3850 -10.3839 -8.6088 -8.6024 -8.4275 -8.4193 -3.7049 -3.7033 -2.3394 -2.3349 -2.3081 -2.3052 -1.0801 -1.0711 -0.6648 -0.6567 0.2020 0.2039 0.8004 0.8065 0.8219 0.8328 1.4231 1.4352 2.1875 2.2002 2.3199 2.3341 2.6559 2.6639 2.9054 2.9159 3.5261 3.5364 3.7167 3.7171 4.1633 4.1649 4.5853 4.5871 5.2344 5.2404 11.7817 11.7843 12.1384 12.1474 12.7165 12.7250 13.1779 13.1797 13.4400 13.4405 k = 0.2075 0.3352-0.0000 ( 4325 PWs) bands (ev): -13.8274 -13.8273 -13.4770 -13.4770 -10.4429 -10.4418 -10.4096 -10.4088 -8.5953 -8.5888 -8.4366 -8.4285 -3.6901 -3.6885 -2.2973 -2.2927 -2.2609 -2.2581 -1.1058 -1.0969 -0.7147 -0.7063 0.2383 0.2405 0.7639 0.7748 0.8692 0.8756 1.3796 1.3918 2.2306 2.2434 2.3094 2.3239 2.6016 2.6097 2.8966 2.9072 3.5066 3.5170 3.7459 3.7464 4.1177 4.1193 4.6011 4.6029 5.2140 5.2201 11.8528 11.8556 12.1367 12.1461 12.7341 12.7425 13.2120 13.2138 13.4805 13.4807 k = 0.2161 0.3492-0.0000 ( 4329 PWs) bands (ev): -13.8188 -13.8187 -13.4779 -13.4779 -10.4997 -10.4987 -10.3774 -10.3765 -8.5820 -8.5753 -8.4474 -8.4394 -3.6754 -3.6738 -2.2538 -2.2490 -2.2151 -2.2124 -1.1290 -1.1203 -0.7664 -0.7579 0.2758 0.2781 0.7025 0.7133 0.9398 0.9466 1.3372 1.3496 2.2717 2.2848 2.2990 2.3135 2.5486 2.5567 2.8900 2.9005 3.4868 3.4973 3.7769 3.7775 4.0712 4.0726 4.6178 4.6197 5.1927 5.1989 11.9235 11.9266 12.1349 12.1448 12.7445 12.7527 13.2559 13.2578 13.5203 13.5204 k = 0.2247 0.3631-0.0000 ( 4329 PWs) bands (ev): -13.8103 -13.8102 -13.4788 -13.4788 -10.5553 -10.5544 -10.3439 -10.3429 -8.5689 -8.5619 -8.4596 -8.4517 -3.6610 -3.6595 -2.2089 -2.2040 -2.1707 -2.1682 -1.1495 -1.1409 -0.8197 -0.8109 0.3141 0.3167 0.6376 0.6483 1.0121 1.0191 1.2962 1.3086 2.2876 2.3028 2.3118 2.3244 2.4975 2.5058 2.8846 2.8951 3.4668 3.4775 3.8097 3.8104 4.0238 4.0251 4.6354 4.6373 5.1703 5.1766 11.9938 11.9971 12.1332 12.1435 12.7486 12.7566 13.3084 13.3104 13.5586 13.5587 k = 0.2334 0.3771-0.0000 ( 4325 PWs) bands (ev): -13.8018 -13.8016 -13.4796 -13.4796 -10.6097 -10.6089 -10.3091 -10.3081 -8.5561 -8.5489 -8.4730 -8.4653 -3.6472 -3.6458 -2.1628 -2.1577 -2.1279 -2.1255 -1.1671 -1.1587 -0.8741 -0.8652 0.3531 0.3559 0.5695 0.5800 1.0856 1.0930 1.2565 1.2690 2.2767 2.2918 2.3495 2.3623 2.4494 2.4577 2.8801 2.8905 3.4469 3.4576 3.8443 3.8451 3.9757 3.9770 4.6538 4.6558 5.1470 5.1534 12.0635 12.0671 12.1317 12.1424 12.7477 12.7554 13.3678 13.3699 13.5660 13.5772 k = 0.2420 0.3911-0.0000 ( 4317 PWs) bands (ev): -13.7933 -13.7932 -13.4804 -13.4804 -10.6628 -10.6621 -10.2731 -10.2720 -8.5436 -8.5363 -8.4876 -8.4801 -3.6342 -3.6328 -2.1154 -2.1102 -2.0867 -2.0845 -1.1818 -1.1736 -0.9294 -0.9204 0.3925 0.3956 0.4983 0.5086 1.1602 1.1679 1.2181 1.2307 2.2648 2.2798 2.3858 2.3977 2.4060 2.4133 2.8759 2.8862 3.4270 3.4379 3.8806 3.8815 3.9272 3.9283 4.6731 4.6751 5.1227 5.1292 12.1301 12.1323 12.1368 12.1419 12.7431 12.7504 13.4319 13.4340 13.5235 13.5336 k = 0.2507 0.4050-0.0000 ( 4321 PWs) bands (ev): -13.7849 -13.7848 -13.4812 -13.4812 -10.7146 -10.7139 -10.2359 -10.2347 -8.5317 -8.5242 -8.5031 -8.4957 -3.6222 -3.6208 -2.0671 -2.0617 -2.0473 -2.0452 -1.1933 -1.1853 -0.9852 -0.9760 0.4243 0.4322 0.4342 0.4354 1.1811 1.1934 1.2358 1.2435 2.2514 2.2659 2.3649 2.3731 2.4211 2.4342 2.8718 2.8819 3.4075 3.4185 3.8782 3.8790 3.9185 3.9197 4.6932 4.6953 5.0977 5.1041 12.1298 12.1413 12.2006 12.2048 12.7359 12.7430 13.4740 13.4834 13.4985 13.5002 k = 0.2593 0.4190-0.0000 ( 4319 PWs) bands (ev): -13.7767 -13.7766 -13.4818 -13.4818 -10.7650 -10.7644 -10.1975 -10.1962 -8.5204 -8.5194 -8.5128 -8.5122 -3.6112 -3.6099 -2.0179 -2.0124 -2.0095 -2.0076 -1.2018 -1.1940 -1.0409 -1.0316 0.3476 0.3573 0.4718 0.4753 1.1452 1.1576 1.3115 1.3196 2.2356 2.2486 2.3319 2.3389 2.4549 2.4681 2.8674 2.8772 3.3883 3.3995 3.8292 3.8298 3.9579 3.9591 4.7142 4.7163 5.0718 5.0783 12.1296 12.1414 12.2672 12.2717 12.7273 12.7341 13.4195 13.4284 13.5636 13.5650 k = 0.2680 0.4330-0.0000 ( 4319 PWs) bands (ev): -13.7686 -13.7685 -13.4824 -13.4824 -10.8140 -10.8134 -10.1579 -10.1566 -8.5363 -8.5293 -8.5099 -8.5021 -3.6015 -3.6002 -1.9741 -1.9720 -1.9676 -1.9623 -1.2072 -1.1996 -1.0960 -1.0866 0.2686 0.2780 0.5112 0.5148 1.1103 1.1228 1.3874 1.3958 2.2161 2.2265 2.3070 2.3117 2.4877 2.5009 2.8624 2.8719 3.3697 3.3810 3.7801 3.7805 3.9987 4.0001 4.7359 4.7381 5.0452 5.0517 12.1299 12.1422 12.3318 12.3366 12.7185 12.7251 13.3610 13.3694 13.6222 13.6228 k = 0.2766 0.4469-0.0000 ( 4319 PWs) bands (ev): -13.7608 -13.7606 -13.4829 -13.4829 -10.8615 -10.8610 -10.1173 -10.1159 -8.5537 -8.5469 -8.5002 -8.4923 -3.5931 -3.5918 -1.9398 -1.9380 -1.9177 -1.9122 -1.2097 -1.2022 -1.1497 -1.1404 0.1876 0.1966 0.5501 0.5539 1.0763 1.0888 1.4632 1.4719 2.1930 2.2003 2.2896 2.2915 2.5197 2.5330 2.8565 2.8656 3.3518 3.3633 3.7312 3.7314 4.0409 4.0424 4.7585 4.7607 5.0181 5.0246 12.1308 12.1435 12.3928 12.3979 12.7113 12.7177 13.2999 13.3078 13.6662 13.6663 k = 0.2853 0.4609-0.0000 ( 4323 PWs) bands (ev): -13.7531 -13.7530 -13.4834 -13.4834 -10.9075 -10.9070 -10.0755 -10.0741 -8.5714 -8.5648 -8.4915 -8.4835 -3.5860 -3.5847 -1.9074 -1.9058 -1.8679 -1.8624 -1.2106 -1.2018 -1.1999 -1.1919 0.1050 0.1136 0.5882 0.5922 1.0429 1.0553 1.5385 1.5474 2.1677 2.1724 2.2769 2.2772 2.5511 2.5643 2.8495 2.8582 3.3348 3.3464 3.6826 3.6827 4.0843 4.0860 4.7817 4.7840 4.9905 4.9969 12.1323 12.1453 12.4477 12.4529 12.7086 12.7147 13.2374 13.2448 13.6933 13.6936 k = 0.2939 0.4749-0.0000 ( 4327 PWs) bands (ev): -13.7457 -13.7456 -13.4837 -13.4837 -10.9519 -10.9515 -10.0328 -10.0312 -8.5894 -8.5829 -8.4839 -8.4758 -3.5803 -3.5791 -1.8768 -1.8753 -1.8193 -1.8139 -1.2504 -1.2402 -1.2051 -1.1987 0.0210 0.0293 0.6254 0.6295 1.0099 1.0223 1.6131 1.6222 2.1420 2.1449 2.2663 2.2678 2.5818 2.5951 2.8412 2.8493 3.3189 3.3306 3.6343 3.6349 4.1289 4.1307 4.8056 4.8080 4.9626 4.9690 12.1344 12.1477 12.4918 12.4966 12.7156 12.7209 13.1745 13.1815 13.7093 13.7095 k = 0.3025 0.4888-0.0000 ( 4319 PWs) bands (ev): -13.7385 -13.7384 -13.4839 -13.4839 -10.9948 -10.9944 -9.9891 -9.9874 -8.6074 -8.6012 -8.4775 -8.4693 -3.5759 -3.5747 -1.8478 -1.8466 -1.7734 -1.7681 -1.2935 -1.2832 -1.1993 -1.1930 -0.0640 -0.0560 0.6613 0.6656 0.9770 0.9895 1.6866 1.6960 2.1171 2.1190 2.2582 2.2603 2.6122 2.6255 2.8313 2.8388 3.3041 3.3159 3.5868 3.5878 4.1745 4.1765 4.8301 4.8326 4.9345 4.9407 12.1370 12.1505 12.5195 12.5231 12.7384 12.7420 13.1122 13.1188 13.7184 13.7185 k = 0.3112 0.5028-0.0000 ( 4323 PWs) bands (ev): -13.7317 -13.7315 -13.4840 -13.4840 -11.0360 -11.0356 -9.9444 -9.9426 -8.6254 -8.6194 -8.4725 -8.4643 -3.5728 -3.5717 -1.8206 -1.8194 -1.7327 -1.7277 -1.3287 -1.3181 -1.1910 -1.1850 -0.1496 -0.1421 0.6959 0.7002 0.9441 0.9566 1.7588 1.7683 2.0940 2.0951 2.2518 2.2541 2.6423 2.6556 2.8197 2.8264 3.2905 3.3025 3.5402 3.5419 4.2211 4.2232 4.8551 4.8577 4.9062 4.9124 12.1398 12.1536 12.5293 12.5314 12.7778 12.7796 13.0515 13.0577 13.7226 13.7227 k = 0.3198 0.5168-0.0000 ( 4319 PWs) bands (ev): -13.7251 -13.7250 -13.4840 -13.4840 -11.0756 -11.0753 -9.8989 -9.8970 -8.6432 -8.6374 -8.4689 -8.4607 -3.5710 -3.5699 -1.7948 -1.7937 -1.7013 -1.6965 -1.3518 -1.3409 -1.1807 -1.1749 -0.2357 -0.2285 0.7288 0.7333 0.9110 0.9234 1.8293 1.8390 2.0729 2.0736 2.2467 2.2489 2.6723 2.6855 2.8062 2.8120 3.2781 3.2904 3.4949 3.4974 4.2685 4.2708 4.8780 4.8806 4.8826 4.8848 12.1429 12.1568 12.5260 12.5268 12.8288 12.8290 12.9931 12.9988 13.7233 13.7233 k = 0.3285 0.5307-0.0000 ( 4323 PWs) bands (ev): -13.7189 -13.7188 -13.4839 -13.4839 -11.1135 -11.1132 -9.8526 -9.8506 -8.6608 -8.6553 -8.4669 -8.4587 -3.5703 -3.5693 -1.7705 -1.7696 -1.6838 -1.6793 -1.3575 -1.3464 -1.1684 -1.1630 -0.3217 -0.3149 0.7600 0.7645 0.8773 0.8897 1.8978 1.9076 2.0542 2.0546 2.2426 2.2445 2.7021 2.7152 2.7907 2.7956 3.2668 3.2794 3.4511 3.4546 4.3166 4.3191 4.8499 4.8559 4.9063 4.9092 12.1458 12.1597 12.5148 12.5150 12.8847 12.8856 12.9380 12.9431 13.7212 13.7212 k = 0.3371 0.5447-0.0000 ( 4323 PWs) bands (ev): -13.7130 -13.7129 -13.4837 -13.4837 -11.1497 -11.1494 -9.8056 -9.8034 -8.6780 -8.6728 -8.4667 -8.4584 -3.5707 -3.5697 -1.7477 -1.7468 -1.6828 -1.6783 -1.3433 -1.3322 -1.1547 -1.1495 -0.4075 -0.4010 0.7892 0.7937 0.8430 0.8554 1.9641 1.9740 2.0378 2.0381 2.2394 2.2407 2.7317 2.7447 2.7733 2.7771 3.2564 3.2696 3.4092 3.4139 4.3654 4.3680 4.8222 4.8280 4.9322 4.9353 12.1482 12.1620 12.4991 12.4993 12.8864 12.8910 12.9441 12.9456 13.7169 13.7169 k = 0.3458 0.5587-0.0000 ( 4320 PWs) bands (ev): -13.7075 -13.7074 -13.4834 -13.4834 -11.1841 -11.1839 -9.7579 -9.7557 -8.6948 -8.6898 -8.4682 -8.4599 -3.5720 -3.5710 -1.7262 -1.7253 -1.6954 -1.6908 -1.3119 -1.3009 -1.1397 -1.1348 -0.4927 -0.4866 0.8073 0.8155 0.8212 0.8215 2.0236 2.0240 2.0282 2.0382 2.2369 2.2376 2.7539 2.7561 2.7618 2.7742 3.2462 3.2603 3.3697 3.3761 4.4145 4.4173 4.7949 4.8005 4.9582 4.9614 12.1498 12.1632 12.4809 12.4814 12.8401 12.8439 13.0043 13.0062 13.7110 13.7110 k = 0.3458 0.5587-0.0000 ( 4320 PWs) bands (ev): -13.7075 -13.7074 -13.4834 -13.4834 -11.1841 -11.1839 -9.7579 -9.7557 -8.6948 -8.6898 -8.4682 -8.4599 -3.5720 -3.5710 -1.7262 -1.7253 -1.6954 -1.6908 -1.3119 -1.3009 -1.1397 -1.1348 -0.4927 -0.4866 0.8073 0.8155 0.8212 0.8215 2.0236 2.0240 2.0282 2.0382 2.2369 2.2376 2.7539 2.7561 2.7618 2.7742 3.2462 3.2603 3.3697 3.3761 4.4145 4.4173 4.7949 4.8005 4.9582 4.9614 12.1498 12.1632 12.4809 12.4814 12.8401 12.8439 13.0043 13.0062 13.7110 13.7110 k = 0.3293 0.5587-0.0000 ( 4324 PWs) bands (ev): -13.7105 -13.7104 -13.4837 -13.4837 -11.1654 -11.1652 -9.7835 -9.7813 -8.6860 -8.6808 -8.4671 -8.4588 -3.5707 -3.5697 -1.7720 -1.7708 -1.6562 -1.6530 -1.3298 -1.3187 -1.1461 -1.1411 -0.4464 -0.4402 0.8005 0.8050 0.8285 0.8408 1.9909 2.0002 2.0337 2.0348 2.2380 2.2390 2.7356 2.7465 2.7743 2.7802 3.2515 3.2651 3.3911 3.3966 4.3885 4.3912 4.8088 4.8145 4.9455 4.9485 12.1497 12.1633 12.4892 12.4899 12.8604 12.8646 12.9747 12.9764 13.6980 13.6997 k = 0.3128 0.5587-0.0000 ( 4321 PWs) bands (ev): -13.7140 -13.7139 -13.4841 -13.4841 -11.1447 -11.1444 -9.8098 -9.8077 -8.6769 -8.6716 -8.4663 -8.4580 -3.5687 -3.5676 -1.8326 -1.8313 -1.6135 -1.6108 -1.3426 -1.3315 -1.1485 -1.1434 -0.3977 -0.3912 0.7816 0.7860 0.8516 0.8640 1.9511 1.9607 2.0449 2.0456 2.2384 2.2399 2.7116 2.7236 2.7933 2.7984 3.2565 3.2696 3.4146 3.4194 4.3627 4.3653 4.8212 4.8268 4.9354 4.9382 12.1507 12.1644 12.4943 12.4956 12.8705 12.8746 12.9543 12.9549 13.6849 13.6872 k = 0.2964 0.5587-0.0000 ( 4322 PWs) bands (ev): -13.7178 -13.7177 -13.4847 -13.4846 -11.1221 -11.1218 -9.8368 -9.8347 -8.6676 -8.6622 -8.4658 -8.4576 -3.5657 -3.5646 -1.8974 -1.8961 -1.5785 -1.5759 -1.3499 -1.3388 -1.1459 -1.1407 -0.3470 -0.3405 0.7599 0.7643 0.8774 0.8899 1.9085 1.9182 2.0574 2.0580 2.2375 2.2394 2.6880 2.7007 2.8125 2.8173 3.2610 3.2738 3.4393 3.4438 4.3376 4.3400 4.8307 4.8357 4.9296 4.9317 12.1534 12.1671 12.4966 12.4985 12.8628 12.8659 12.9485 12.9499 13.6770 13.6797 k = 0.2799 0.5587-0.0000 ( 4326 PWs) bands (ev): -13.7218 -13.7217 -13.4854 -13.4853 -11.0977 -11.0974 -9.8644 -9.8624 -8.6582 -8.6527 -8.4657 -8.4574 -3.5616 -3.5604 -1.9647 -1.9635 -1.5537 -1.5510 -1.3515 -1.3409 -1.1368 -1.1315 -0.2951 -0.2884 0.7359 0.7402 0.9057 0.9181 1.8633 1.8732 2.0708 2.0717 2.2345 2.2369 2.6658 2.6787 2.8318 2.8364 3.2649 3.2774 3.4646 3.4688 4.3135 4.3157 4.8354 4.8395 4.9296 4.9307 12.1580 12.1717 12.4965 12.4990 12.8413 12.8437 12.9521 12.9553 13.6754 13.6785 k = 0.2634 0.5587-0.0000 ( 4326 PWs) bands (ev): -13.7260 -13.7259 -13.4862 -13.4862 -11.0716 -11.0713 -9.8927 -9.8908 -8.6487 -8.6431 -8.4659 -8.4576 -3.5563 -3.5550 -2.0334 -2.0324 -1.5395 -1.5365 -1.3489 -1.3392 -1.1195 -1.1143 -0.2424 -0.2357 0.7103 0.7145 0.9363 0.9487 1.8159 1.8258 2.0845 2.0863 2.2289 2.2319 2.6457 2.6586 2.8510 2.8556 3.2680 3.2803 3.4896 3.4939 4.2907 4.2928 4.8350 4.8378 4.9353 4.9359 12.1647 12.1784 12.4945 12.4977 12.8149 12.8172 12.9562 12.9604 13.6809 13.6843 k = 0.2470 0.5587-0.0000 ( 4327 PWs) bands (ev): -13.7302 -13.7301 -13.4872 -13.4872 -11.0441 -11.0437 -9.9217 -9.9199 -8.6391 -8.6334 -8.4664 -8.4582 -3.5496 -3.5484 -2.1029 -2.1020 -1.5342 -1.5311 -1.3446 -1.3362 -1.0935 -1.0884 -0.1895 -0.1829 0.6836 0.6876 0.9691 0.9815 1.7665 1.7764 2.0977 2.1009 2.2204 2.2244 2.6282 2.6409 2.8702 2.8748 3.2703 3.2824 3.5138 3.5182 4.2697 4.2715 4.8305 4.8324 4.9447 4.9462 12.1736 12.1872 12.4913 12.4951 12.7875 12.7899 12.9565 12.9613 13.6935 13.6971 k = 0.2305 0.5587-0.0000 ( 4327 PWs) bands (ev): -13.7345 -13.7344 -13.4883 -13.4883 -11.0151 -11.0147 -9.9514 -9.9496 -8.6296 -8.6237 -8.4672 -8.4590 -3.5416 -3.5402 -2.1724 -2.1716 -1.5351 -1.5319 -1.3412 -1.3340 -1.0595 -1.0546 -0.1371 -0.1306 0.6566 0.6603 1.0039 1.0163 1.7153 1.7252 2.1087 2.1142 2.2100 2.2156 2.6138 2.6260 2.8893 2.8938 3.2716 3.2836 3.5366 3.5411 4.2507 4.2523 4.8239 4.8252 4.9567 4.9589 12.1846 12.1982 12.4874 12.4917 12.7604 12.7630 12.9518 12.9570 13.7128 13.7165 k = 0.2140 0.5587-0.0000 ( 4329 PWs) bands (ev): -13.7388 -13.7387 -13.4895 -13.4894 -10.9849 -10.9845 -9.9817 -9.9800 -8.6200 -8.6140 -8.4683 -8.4602 -3.5320 -3.5306 -2.2415 -2.2408 -1.5398 -1.5365 -1.3395 -1.3335 -1.0193 -1.0146 -0.0859 -0.0796 0.6300 0.6334 1.0405 1.0529 1.6625 1.6724 2.1137 2.1223 2.2009 2.2088 2.6024 2.6141 2.9083 2.9127 3.2717 3.2835 3.5576 3.5622 4.2340 4.2354 4.8164 4.8175 4.9699 4.9726 12.1978 12.2112 12.4834 12.4882 12.7340 12.7370 12.9423 12.9477 13.7375 13.7412 k = 0.1976 0.5587-0.0000 ( 4330 PWs) bands (ev): -13.7430 -13.7429 -13.4907 -13.4907 -10.9535 -10.9531 -10.0126 -10.0109 -8.6106 -8.6044 -8.4698 -8.4616 -3.5208 -3.5194 -2.3096 -2.3089 -1.5465 -1.5432 -1.3395 -1.3345 -0.9749 -0.9702 -0.0369 -0.0308 0.6051 0.6081 1.0789 1.0913 1.6084 1.6182 2.1079 2.1186 2.1996 2.2090 2.5939 2.6049 2.9270 2.9315 3.2705 3.2821 3.5762 3.5810 4.2198 4.2210 4.8090 4.8100 4.9834 4.9862 12.2129 12.2262 12.4799 12.4852 12.7086 12.7119 12.9286 12.9341 13.7661 13.7697 k = 0.1811 0.5587-0.0000 ( 4330 PWs) bands (ev): -13.7470 -13.7470 -13.4920 -13.4920 -10.9213 -10.9209 -10.0440 -10.0424 -8.6012 -8.5950 -8.4715 -8.4634 -3.5081 -3.5066 -2.3763 -2.3756 -1.5541 -1.5510 -1.3408 -1.3366 -0.9278 -0.9233 0.0087 0.0143 0.5834 0.5857 1.1188 1.1311 1.5531 1.5629 2.0898 2.1008 2.2088 2.2175 2.5878 2.5981 2.9456 2.9500 3.2678 3.2792 3.5925 3.5974 4.2081 4.2091 4.8022 4.8031 4.9965 4.9995 12.2298 12.2429 12.4775 12.4831 12.6841 12.6877 12.9116 12.9171 13.7960 13.7997 k = 0.1647 0.5587-0.0000 ( 4340 PWs) bands (ev): -13.7509 -13.7508 -13.4933 -13.4932 -10.8883 -10.8879 -10.0758 -10.0743 -8.5920 -8.5857 -8.4736 -8.4655 -3.4937 -3.4922 -2.4411 -2.4405 -1.5621 -1.5591 -1.3428 -1.3393 -0.8795 -0.8751 0.0491 0.0539 0.5668 0.5682 1.1600 1.1723 1.4968 1.5065 2.0629 2.0736 2.2239 2.2315 2.5836 2.5931 2.9638 2.9683 3.2637 3.2748 3.6062 3.6113 4.1990 4.1999 4.7963 4.7972 5.0089 5.0119 12.2481 12.2610 12.4766 12.4824 12.6606 12.6643 12.8920 12.8976 13.8237 13.8273 k = 0.1482 0.5587-0.0000 ( 4343 PWs) bands (ev): -13.7545 -13.7544 -13.4945 -13.4945 -10.8549 -10.8544 -10.1079 -10.1065 -8.5830 -8.5766 -8.4759 -8.4680 -3.4778 -3.4763 -2.5038 -2.5031 -1.5700 -1.5672 -1.3453 -1.3422 -0.8310 -0.8267 0.0822 0.0860 0.5576 0.5582 1.2024 1.2147 1.4399 1.4494 2.0301 2.0406 2.2415 2.2481 2.5808 2.5895 2.9818 2.9863 3.2580 3.2687 3.6176 3.6226 4.1921 4.1931 4.7913 4.7922 5.0204 5.0233 12.2674 12.2801 12.4776 12.4837 12.6380 12.6419 12.8707 12.8762 13.8424 13.8457 k = 0.1317 0.5587-0.0000 ( 4341 PWs) bands (ev): -13.7579 -13.7578 -13.4957 -13.4957 -10.8212 -10.8207 -10.1402 -10.1388 -8.5743 -8.5678 -8.4786 -8.4707 -3.4606 -3.4591 -2.5636 -2.5630 -1.5775 -1.5750 -1.3479 -1.3453 -0.7832 -0.7791 0.1057 0.1082 0.5575 0.5589 1.2457 1.2580 1.3824 1.3918 1.9935 2.0040 2.2598 2.2657 2.5788 2.5868 2.9995 3.0040 3.2507 3.2610 3.6267 3.6315 4.1874 4.1883 4.7875 4.7883 5.0308 5.0336 12.2873 12.2997 12.4810 12.4871 12.6166 12.6204 12.8481 12.8536 13.8455 13.8482 k = 0.1153 0.5587-0.0000 ( 4345 PWs) bands (ev): -13.7609 -13.7608 -13.4969 -13.4968 -10.7876 -10.7871 -10.1723 -10.1710 -8.5658 -8.5592 -8.4816 -8.4738 -3.4422 -3.4408 -2.6203 -2.6196 -1.5845 -1.5822 -1.3504 -1.3482 -0.7369 -0.7330 0.1184 0.1196 0.5685 0.5714 1.2888 1.3013 1.3258 1.3347 1.9541 1.9646 2.2780 2.2832 2.5773 2.5846 3.0168 3.0214 3.2419 3.2518 3.6339 3.6385 4.1843 4.1853 4.7846 4.7854 5.0401 5.0427 12.3074 12.3195 12.4865 12.4926 12.5969 12.6004 12.8246 12.8301 13.8349 13.8372 k = 0.0988 0.5587-0.0000 ( 4345 PWs) bands (ev): -13.7636 -13.7635 -13.4979 -13.4978 -10.7545 -10.7540 -10.2039 -10.2027 -8.5577 -8.5510 -8.4850 -8.4773 -3.4231 -3.4218 -2.6730 -2.6722 -1.5907 -1.5887 -1.3528 -1.3510 -0.6930 -0.6894 0.1206 0.1207 0.5909 0.5952 1.2653 1.2749 1.3362 1.3478 1.9128 1.9234 2.2953 2.3000 2.5761 2.5826 3.0338 3.0384 3.2318 3.2411 3.6394 3.6436 4.1827 4.1837 4.7826 4.7834 5.0481 5.0504 12.3272 12.3389 12.4933 12.4993 12.5802 12.5828 12.8004 12.8060 13.8179 13.8202 k = 0.0823 0.5587-0.0000 ( 4346 PWs) bands (ev): -13.7659 -13.7658 -13.4988 -13.4988 -10.7226 -10.7220 -10.2346 -10.2335 -8.5499 -8.5432 -8.4886 -8.4810 -3.4039 -3.4026 -2.7209 -2.7202 -1.5961 -1.5944 -1.3548 -1.3534 -0.6524 -0.6491 0.1140 0.1147 0.6229 0.6282 1.2083 1.2174 1.3809 1.3925 1.8703 1.8809 2.3113 2.3154 2.5749 2.5806 3.0504 3.0550 3.2207 3.2293 3.6437 3.6474 4.1820 4.1829 4.7814 4.7821 5.0549 5.0569 12.3463 12.3576 12.4982 12.5043 12.5692 12.5712 12.7758 12.7815 13.7995 13.8015 k = 0.0659 0.5587-0.0000 ( 4352 PWs) bands (ev): -13.7678 -13.7678 -13.4995 -13.4995 -10.6925 -10.6920 -10.2634 -10.2625 -8.5425 -8.5358 -8.4924 -8.4851 -3.3853 -3.3842 -2.7632 -2.7626 -1.6005 -1.5992 -1.3566 -1.3554 -0.6162 -0.6133 0.1026 0.1037 0.6618 0.6678 1.1520 1.1607 1.4260 1.4374 1.8272 1.8378 2.3255 2.3289 2.5739 2.5787 3.0665 3.0711 3.2087 3.2166 3.6469 3.6500 4.1819 4.1827 4.7808 4.7814 5.0604 5.0621 12.3648 12.3755 12.4953 12.5026 12.5676 12.5721 12.7509 12.7567 13.7819 13.7837 k = 0.0494 0.5587-0.0000 ( 4348 PWs) bands (ev): -13.7693 -13.7693 -13.5002 -13.5001 -10.6656 -10.6651 -10.2893 -10.2885 -8.5355 -8.5290 -8.4965 -8.4895 -3.3685 -3.3676 -2.7985 -2.7980 -1.6040 -1.6031 -1.3579 -1.3571 -0.5857 -0.5834 0.0898 0.0910 0.7044 0.7107 1.0979 1.1060 1.4704 1.4813 1.7845 1.7947 2.3374 2.3401 2.5731 2.5768 3.0817 3.0862 3.1966 3.2036 3.6493 3.6517 4.1821 4.1828 4.7806 4.7811 5.0647 5.0660 12.3826 12.3929 12.4841 12.4924 12.5782 12.5842 12.7258 12.7317 13.7670 13.7684 k = 0.0329 0.5587-0.0000 ( 4346 PWs) bands (ev): -13.7704 -13.7704 -13.5006 -13.5006 -10.6436 -10.6432 -10.3105 -10.3099 -8.5291 -8.5232 -8.5003 -8.4940 -3.3549 -3.3542 -2.8254 -2.8250 -1.6065 -1.6059 -1.3589 -1.3583 -0.5622 -0.5606 0.0784 0.0793 0.7470 0.7529 1.0486 1.0556 1.5128 1.5226 1.7439 1.7534 2.3464 2.3483 2.5725 2.5751 3.0956 3.0996 3.1853 3.1910 3.6511 3.6527 4.1825 4.1830 4.7806 4.7809 5.0678 5.0687 12.4000 12.4099 12.4688 12.4775 12.5961 12.6025 12.7010 12.7069 13.7556 13.7566 k = 0.0165 0.5587-0.0000 ( 4346 PWs) bands (ev): -13.7711 -13.7711 -13.5009 -13.5009 -10.6287 -10.6285 -10.3247 -10.3243 -8.5236 -8.5194 -8.5028 -8.4985 -3.3458 -3.3454 -2.8423 -2.8421 -1.6080 -1.6076 -1.3594 -1.3591 -0.5473 -0.5465 0.0707 0.0712 0.7833 0.7873 1.0104 1.0150 1.5491 1.5562 1.7108 1.7176 2.3522 2.3532 2.5723 2.5737 3.1068 3.1095 3.1768 3.1803 3.6522 3.6531 4.1828 4.1831 4.7807 4.7809 5.0698 5.0702 12.4172 12.4266 12.4523 12.4611 12.6167 12.6222 12.6781 12.6834 13.7485 13.7490 k = 0.0000 0.5587-0.0000 ( 4348 PWs) bands (ev): -13.7713 -13.7713 -13.5010 -13.5010 -10.6234 -10.6234 -10.3296 -10.3296 -8.5197 -8.5197 -8.5021 -8.5021 -3.3425 -3.3425 -2.8480 -2.8480 -1.6083 -1.6083 -1.3595 -1.3595 -0.5419 -0.5419 0.0681 0.0681 0.8004 0.8004 0.9963 0.9963 1.5683 1.5683 1.6987 1.6987 2.3545 2.3545 2.5727 2.5727 3.1124 3.1124 3.1746 3.1746 3.6529 3.6529 4.1830 4.1830 4.7808 4.7808 5.0706 5.0706 12.4338 12.4338 12.4448 12.4448 12.6318 12.6318 12.6675 12.6675 13.7463 13.7463 k = 0.0000 0.5587-0.0000 ( 4348 PWs) bands (ev): -13.7713 -13.7713 -13.5010 -13.5010 -10.6234 -10.6234 -10.3296 -10.3296 -8.5197 -8.5197 -8.5021 -8.5021 -3.3425 -3.3425 -2.8480 -2.8480 -1.6083 -1.6083 -1.3595 -1.3595 -0.5419 -0.5419 0.0681 0.0681 0.8004 0.8004 0.9963 0.9963 1.5683 1.5683 1.6987 1.6987 2.3545 2.3545 2.5727 2.5727 3.1124 3.1124 3.1746 3.1746 3.6529 3.6529 4.1830 4.1830 4.7808 4.7808 5.0706 5.0706 12.4338 12.4338 12.4448 12.4448 12.6318 12.6318 12.6675 12.6675 13.7463 13.7463 k = 0.0000 0.5587 0.0163 ( 4352 PWs) bands (ev): -13.7711 -13.7711 -13.5011 -13.5011 -10.6225 -10.6225 -10.3290 -10.3289 -8.5213 -8.5212 -8.5039 -8.5039 -3.3420 -3.3419 -2.8476 -2.8475 -1.6077 -1.6077 -1.3572 -1.3569 -0.5401 -0.5399 0.0682 0.0682 0.7980 0.7981 0.9938 0.9940 1.5679 1.5680 1.6998 1.6999 2.3526 2.3526 2.5734 2.5734 3.1137 3.1137 3.1755 3.1757 3.6525 3.6526 4.1835 4.1837 4.7807 4.7808 5.0703 5.0703 12.4274 12.4286 12.4403 12.4406 12.6367 12.6373 12.6656 12.6659 13.7498 13.7498 k = 0.0000 0.5587 0.0326 ( 4348 PWs) bands (ev): -13.7705 -13.7705 -13.5014 -13.5014 -10.6200 -10.6200 -10.3269 -10.3269 -8.5261 -8.5259 -8.5092 -8.5092 -3.3404 -3.3401 -2.8461 -2.8459 -1.6059 -1.6058 -1.3503 -1.3497 -0.5345 -0.5342 0.0684 0.0685 0.7910 0.7911 0.9866 0.9870 1.5667 1.5669 1.7032 1.7034 2.3470 2.3470 2.5755 2.5755 3.1175 3.1176 3.1783 3.1788 3.6513 3.6516 4.1850 4.1853 4.7804 4.7805 5.0694 5.0694 12.4107 12.4125 12.4282 12.4283 12.6499 12.6512 12.6610 12.6613 13.7598 13.7599 k = 0.0000 0.5587 0.0489 ( 4354 PWs) bands (ev): -13.7695 -13.7695 -13.5019 -13.5019 -10.6158 -10.6158 -10.3236 -10.3235 -8.5340 -8.5337 -8.5181 -8.5180 -3.3377 -3.3373 -2.8437 -2.8433 -1.6028 -1.6027 -1.3386 -1.3377 -0.5252 -0.5246 0.0688 0.0689 0.7796 0.7796 0.9750 0.9755 1.5647 1.5651 1.7086 1.7088 2.3379 2.3379 2.5788 2.5789 3.1237 3.1239 3.1830 3.1837 3.6494 3.6498 4.1875 4.1880 4.7800 4.7801 5.0680 5.0680 12.3866 12.3884 12.4091 12.4092 12.6502 12.6515 12.6720 12.6729 13.7752 13.7754 k = 0.0000 0.5587 0.0652 ( 4354 PWs) bands (ev): -13.7681 -13.7681 -13.5026 -13.5026 -10.6100 -10.6100 -10.3189 -10.3187 -8.5450 -8.5445 -8.5304 -8.5303 -3.3339 -3.3334 -2.8404 -2.8399 -1.5985 -1.5983 -1.3225 -1.3213 -0.5121 -0.5114 0.0692 0.0695 0.7640 0.7641 0.9594 0.9600 1.5619 1.5623 1.7157 1.7159 2.3257 2.3258 2.5834 2.5835 3.1318 3.1321 3.1895 3.1905 3.6467 3.6473 4.1910 4.1917 4.7792 4.7794 5.0659 5.0660 12.3577 12.3595 12.3837 12.3841 12.6393 12.6406 12.6949 12.6960 13.7940 13.7944 k = 0.0000 0.5587 0.0815 ( 4344 PWs) bands (ev): -13.7664 -13.7663 -13.5035 -13.5035 -10.6025 -10.6024 -10.3128 -10.3126 -8.5591 -8.5584 -8.5460 -8.5459 -3.3290 -3.3284 -2.8362 -2.8356 -1.5930 -1.5928 -1.3019 -1.3004 -0.4953 -0.4944 0.0697 0.0700 0.7448 0.7449 0.9401 0.9409 1.5581 1.5587 1.7239 1.7242 2.3111 2.3112 2.5890 2.5891 3.1415 3.1417 3.1977 3.1989 3.6432 3.6440 4.1955 4.1963 4.7783 4.7785 5.0633 5.0634 12.3261 12.3278 12.3531 12.3535 12.6261 12.6274 12.7200 12.7209 13.8138 13.8145 k = 0.0000 0.5587 0.0978 ( 4336 PWs) bands (ev): -13.7642 -13.7642 -13.5047 -13.5046 -10.5933 -10.5932 -10.3054 -10.3051 -8.5761 -8.5752 -8.5649 -8.5647 -3.3231 -3.3223 -2.8313 -2.8306 -1.5864 -1.5861 -1.2772 -1.2755 -0.4748 -0.4737 0.0701 0.0705 0.7225 0.7226 0.9177 0.9187 1.5534 1.5540 1.7327 1.7330 2.2946 2.2948 2.5954 2.5955 3.1521 3.1524 3.2076 3.2090 3.6390 3.6400 4.2009 4.2018 4.7770 4.7773 5.0602 5.0602 12.2931 12.2947 12.3185 12.3188 12.6112 12.6125 12.7459 12.7468 13.8320 13.8331 k = 0.0000 0.5587 0.1141 ( 4338 PWs) bands (ev): -13.7617 -13.7616 -13.5060 -13.5060 -10.5824 -10.5824 -10.2966 -10.2963 -8.5960 -8.5950 -8.5868 -8.5865 -3.3161 -3.3151 -2.8258 -2.8250 -1.5786 -1.5783 -1.2486 -1.2466 -0.4506 -0.4493 0.0703 0.0708 0.6976 0.6978 0.8927 0.8938 1.5477 1.5484 1.7416 1.7419 2.2768 2.2770 2.6024 2.6026 3.1631 3.1636 3.2189 3.2205 3.6341 3.6352 4.2070 4.2082 4.7755 4.7757 5.0564 5.0565 12.2596 12.2612 12.2810 12.2810 12.5951 12.5963 12.7723 12.7729 13.8464 13.8480 k = 0.0000 0.5587 0.1304 ( 4338 PWs) bands (ev): -13.7588 -13.7587 -13.5076 -13.5075 -10.5699 -10.5699 -10.2865 -10.2862 -8.6189 -8.6178 -8.6113 -8.6110 -3.3080 -3.3069 -2.8198 -2.8190 -1.5698 -1.5694 -1.2165 -1.2141 -0.4228 -0.4213 0.0701 0.0707 0.6709 0.6712 0.8655 0.8669 1.5410 1.5417 1.7499 1.7502 2.2585 2.2587 2.6099 2.6100 3.1742 3.1748 3.2315 3.2332 3.6284 3.6297 4.2139 4.2151 4.7735 4.7738 5.0520 5.0521 12.2262 12.2280 12.2415 12.2422 12.5782 12.5793 12.7987 12.7991 13.8554 13.8574 k = 0.0000 0.5587 0.1467 ( 4338 PWs) bands (ev): -13.7556 -13.7555 -13.5093 -13.5093 -10.5558 -10.5557 -10.2751 -10.2747 -8.6451 -8.6439 -8.6379 -8.6376 -3.2989 -3.2977 -2.8135 -2.8126 -1.5599 -1.5595 -1.1811 -1.1785 -0.3915 -0.3899 0.0692 0.0699 0.6432 0.6436 0.8367 0.8383 1.5332 1.5340 1.7570 1.7573 2.2402 2.2405 2.6175 2.6175 3.1849 3.1855 3.2450 3.2469 3.6221 3.6236 4.2212 4.2227 4.7712 4.7715 5.0470 5.0472 12.1927 12.1957 12.2017 12.2039 12.5609 12.5618 12.8248 12.8249 13.8585 13.8608 k = 0.0000 0.5587 0.1630 ( 4334 PWs) bands (ev): -13.7520 -13.7519 -13.5113 -13.5112 -10.5400 -10.5399 -10.2624 -10.2619 -8.6746 -8.6736 -8.6660 -8.6660 -3.2887 -3.2875 -2.8069 -2.8061 -1.5490 -1.5485 -1.1429 -1.1400 -0.3568 -0.3551 0.0674 0.0683 0.6154 0.6159 0.8066 0.8084 1.5245 1.5253 1.7624 1.7626 2.2227 2.2231 2.6250 2.6250 3.1948 3.1955 3.2591 3.2611 3.6154 3.6170 4.2290 4.2306 4.7684 4.7688 5.0414 5.0416 12.1575 12.1604 12.1672 12.1698 12.5436 12.5443 12.8500 12.8502 13.8565 13.8590 k = 0.0000 0.5587 0.1793 ( 4338 PWs) bands (ev): -13.7481 -13.7480 -13.5135 -13.5134 -10.5226 -10.5225 -10.2483 -10.2478 -8.7072 -8.7064 -8.6960 -8.6957 -3.2776 -3.2763 -2.8004 -2.7995 -1.5371 -1.5365 -1.1025 -1.0993 -0.3190 -0.3170 0.0642 0.0653 0.5884 0.5891 0.7757 0.7777 1.5148 1.5157 1.7655 1.7656 2.2066 2.2070 2.6322 2.6322 3.2036 3.2044 3.2734 3.2754 3.6086 3.6103 4.2369 4.2386 4.7653 4.7656 5.0352 5.0354 12.1209 12.1224 12.1393 12.1411 12.5265 12.5271 12.8741 12.8746 13.8506 13.8533 k = 0.0000 0.5587 0.1956 ( 4336 PWs) bands (ev): -13.7438 -13.7437 -13.5159 -13.5158 -10.5036 -10.5035 -10.2329 -10.2324 -8.7425 -8.7418 -8.7277 -8.7272 -3.2656 -3.2641 -2.7940 -2.7931 -1.5242 -1.5235 -1.0602 -1.0568 -0.2781 -0.2760 0.0594 0.0607 0.5633 0.5642 0.7444 0.7466 1.5042 1.5051 1.7658 1.7658 2.1926 2.1931 2.6389 2.6390 3.2110 3.2119 3.2873 3.2893 3.6020 3.6039 4.2448 4.2466 4.7617 4.7621 5.0284 5.0286 12.0856 12.0865 12.1148 12.1163 12.5101 12.5105 12.8968 12.8977 13.8423 13.8450 k = 0.0000 0.5587 0.2118 ( 4340 PWs) bands (ev): -13.7393 -13.7392 -13.5185 -13.5185 -10.4831 -10.4829 -10.2163 -10.2157 -8.7801 -8.7795 -8.7611 -8.7605 -3.2526 -3.2511 -2.7879 -2.7871 -1.5103 -1.5095 -1.0168 -1.0132 -0.2345 -0.2323 0.0525 0.0540 0.5411 0.5421 0.7130 0.7155 1.4928 1.4938 1.7628 1.7628 2.1810 2.1816 2.6449 2.6451 3.2169 3.2179 3.2999 3.3019 3.5964 3.5984 4.2524 4.2543 4.7578 4.7582 5.0209 5.0212 12.0530 12.0535 12.0939 12.0955 12.4947 12.4949 12.9176 12.9189 13.8328 13.8356 k = 0.0000 0.5587 0.2281 ( 4336 PWs) bands (ev): -13.7345 -13.7344 -13.5214 -13.5213 -10.4609 -10.4608 -10.1983 -10.1977 -8.8198 -8.8192 -8.7962 -8.7954 -3.2388 -3.2371 -2.7823 -2.7816 -1.4953 -1.4944 -0.9730 -0.9692 -0.1885 -0.1861 0.0431 0.0448 0.5229 0.5241 0.6820 0.6847 1.4806 1.4816 1.7562 1.7564 2.1724 2.1730 2.6501 2.6503 3.2212 3.2222 3.3103 3.3122 3.5926 3.5946 4.2593 4.2614 4.7537 4.7541 5.0128 5.0131 12.0242 12.0244 12.0773 12.0789 12.4806 12.4807 12.9361 12.9378 13.8231 13.8259 k = 0.0000 0.5587 0.2444 ( 4332 PWs) bands (ev): -13.7294 -13.7293 -13.5245 -13.5244 -10.4372 -10.4371 -10.1791 -10.1785 -8.8612 -8.8607 -8.8327 -8.8319 -3.2241 -3.2224 -2.7773 -2.7766 -1.4792 -1.4782 -0.9295 -0.9255 -0.1405 -0.1380 0.0311 0.0331 0.5096 0.5110 0.6516 0.6546 1.4678 1.4688 1.7461 1.7464 2.1667 2.1675 2.6543 2.6546 3.2237 3.2247 3.3175 3.3193 3.5916 3.5935 4.2654 4.2676 4.7494 4.7498 5.0041 5.0045 11.9996 11.9996 12.0651 12.0668 12.4680 12.4680 12.9517 12.9538 13.8138 13.8165 k = 0.0000 0.5587 0.2607 ( 4334 PWs) bands (ev): -13.7241 -13.7240 -13.5277 -13.5277 -10.4120 -10.4118 -10.1586 -10.1580 -8.9043 -8.9038 -8.8706 -8.8697 -3.2086 -3.2068 -2.7731 -2.7725 -1.4621 -1.4610 -0.8873 -0.8831 -0.0911 -0.0885 0.0167 0.0189 0.5018 0.5033 0.6224 0.6257 1.4543 1.4554 1.7325 1.7329 2.1641 2.1649 2.6573 2.6577 3.2244 3.2255 3.3204 3.3219 3.5943 3.5962 4.2702 4.2724 4.7452 4.7456 4.9948 4.9952 11.9796 11.9799 12.0579 12.0597 12.4571 12.4572 12.9640 12.9664 13.8052 13.8079 k = 0.0000 0.5587 0.2770 ( 4328 PWs) bands (ev): -13.7185 -13.7184 -13.5313 -13.5312 -10.3852 -10.3851 -10.1369 -10.1362 -8.9487 -8.9483 -8.9096 -8.9087 -3.1923 -3.1905 -2.7698 -2.7693 -1.4438 -1.4426 -0.8473 -0.8429 -0.0411 -0.0383 0.0004 0.0029 0.4999 0.5015 0.5950 0.5986 1.4403 1.4414 1.7158 1.7162 2.1643 2.1652 2.6591 2.6596 3.2234 3.2244 3.3184 3.3196 3.6015 3.6032 4.2735 4.2757 4.7412 4.7415 4.9850 4.9855 11.9650 11.9654 12.0559 12.0578 12.4482 12.4484 12.9724 12.9752 13.7976 13.8002 k = 0.0000 0.5587 0.2933 ( 4330 PWs) bands (ev): -13.7128 -13.7126 -13.5350 -13.5349 -10.3570 -10.3569 -10.1141 -10.1134 -8.9944 -8.9939 -8.9497 -8.9486 -3.1754 -3.1736 -2.7675 -2.7672 -1.4244 -1.4230 -0.8106 -0.8062 -0.0173 -0.0148 0.0093 0.0121 0.5039 0.5057 0.5701 0.5740 1.4258 1.4268 1.6961 1.6966 2.1671 2.1681 2.6595 2.6601 3.2207 3.2217 3.3113 3.3121 3.6133 3.6147 4.2748 4.2771 4.7376 4.7379 4.9747 4.9752 11.9561 11.9566 12.0593 12.0613 12.4415 12.4418 12.9766 12.9798 13.7908 13.7932 k = 0.0000 0.5587 0.3096 ( 4332 PWs) bands (ev): -13.7068 -13.7067 -13.5389 -13.5388 -10.3274 -10.3272 -10.0901 -10.0893 -9.0410 -9.0405 -8.9905 -8.9895 -3.1579 -3.1560 -2.7664 -2.7662 -1.4037 -1.4022 -0.7786 -0.7741 -0.0341 -0.0314 0.0574 0.0604 0.5138 0.5156 0.5488 0.5531 1.4109 1.4119 1.6739 1.6744 2.1722 2.1732 2.6583 2.6590 3.2164 3.2173 3.2997 3.3000 3.6293 3.6304 4.2739 4.2762 4.7346 4.7349 4.9639 4.9644 11.9531 11.9537 12.0682 12.0704 12.4371 12.4374 12.9764 12.9799 13.7701 13.7734 k = 0.0000 0.5587 0.3259 ( 4328 PWs) bands (ev): -13.7007 -13.7006 -13.5431 -13.5430 -10.2964 -10.2962 -10.0650 -10.0642 -9.0883 -9.0879 -9.0321 -9.0310 -3.1398 -3.1379 -2.7665 -2.7664 -1.3817 -1.3801 -0.7523 -0.7478 -0.0495 -0.0466 0.1023 0.1054 0.5285 0.5296 0.5339 0.5378 1.3955 1.3965 1.6496 1.6501 2.1794 2.1803 2.6554 2.6562 3.2106 3.2114 3.2842 3.2842 3.6488 3.6498 4.2706 4.2728 4.7326 4.7328 4.9527 4.9533 11.9563 11.9568 12.0827 12.0850 12.4351 12.4354 12.9714 12.9754 13.7167 13.7198 k = 0.0000 0.5587 0.3422 ( 4340 PWs) bands (ev): -13.6944 -13.6943 -13.5475 -13.5474 -10.2640 -10.2638 -10.0389 -10.0380 -9.1362 -9.1358 -9.0741 -9.0730 -3.1212 -3.1193 -2.7680 -2.7679 -1.3584 -1.3567 -0.7331 -0.7287 -0.0619 -0.0588 0.1414 0.1445 0.5234 0.5279 0.5501 0.5515 1.3798 1.3807 1.6234 1.6240 2.1883 2.1893 2.6506 2.6515 3.2034 3.2042 3.2656 3.2660 3.6712 3.6720 4.2646 4.2668 4.7316 4.7317 4.9412 4.9418 11.9656 11.9661 12.1028 12.1052 12.4355 12.4358 12.9619 12.9662 13.6563 13.6594 k = 0.0000 0.5587 0.3585 ( 4336 PWs) bands (ev): -13.6880 -13.6879 -13.5521 -13.5520 -10.2304 -10.2301 -10.0118 -10.0109 -9.1844 -9.1840 -9.1165 -9.1154 -3.1022 -3.1003 -2.7709 -2.7707 -1.3338 -1.3320 -0.7218 -0.7174 -0.0702 -0.0669 0.1718 0.1747 0.5244 0.5289 0.5748 0.5763 1.3637 1.3646 1.5956 1.5962 2.1990 2.1999 2.6438 2.6447 3.1952 3.1958 3.2452 3.2459 3.6959 3.6965 4.2559 4.2580 4.7317 4.7318 4.9294 4.9300 11.9812 11.9817 12.1282 12.1307 12.4384 12.4385 12.9478 12.9524 13.5902 13.5935 k = 0.0000 0.5587 0.3748 ( 4338 PWs) bands (ev): -13.6815 -13.6813 -13.5569 -13.5568 -10.1955 -10.1952 -9.9839 -9.9830 -9.2327 -9.2323 -9.1591 -9.1579 -3.0829 -3.0809 -2.7753 -2.7749 -1.3079 -1.3059 -0.7188 -0.7146 -0.0736 -0.0702 0.1913 0.1936 0.5371 0.5412 0.6036 0.6049 1.3474 1.3483 1.5664 1.5670 2.2112 2.2122 2.6347 2.6357 3.1860 3.1865 3.2240 3.2250 3.7222 3.7227 4.2444 4.2464 4.7331 4.7331 4.9174 4.9180 12.0029 12.0033 12.1587 12.1614 12.4437 12.4437 12.9294 12.9344 13.5199 13.5233 k = 0.0000 0.5587 0.3911 ( 4340 PWs) bands (ev): -13.6749 -13.6747 -13.5619 -13.5618 -10.1594 -10.1592 -9.9554 -9.9544 -9.2808 -9.2804 -9.2016 -9.2004 -3.0633 -3.0613 -2.7811 -2.7805 -1.2805 -1.2785 -0.7241 -0.7201 -0.0721 -0.0686 0.1994 0.2009 0.5614 0.5649 0.6357 0.6368 1.3309 1.3317 1.5360 1.5366 2.2251 2.2260 2.6231 2.6242 3.1762 3.1765 3.2028 3.2041 3.7498 3.7503 4.2302 4.2321 4.7356 4.7357 4.9052 4.9059 12.0307 12.0310 12.1939 12.1967 12.4510 12.4512 12.9069 12.9123 13.4473 13.4508 k = 0.0000 0.5587 0.4074 ( 4336 PWs) bands (ev): -13.6682 -13.6680 -13.5671 -13.5670 -10.1223 -10.1221 -9.9264 -9.9255 -9.3283 -9.3279 -9.2440 -9.2428 -3.0436 -3.0416 -2.7883 -2.7876 -1.2519 -1.2497 -0.7369 -0.7331 -0.0660 -0.0624 0.1979 0.1986 0.5946 0.5975 0.6702 0.6711 1.3143 1.3151 1.5045 1.5050 2.2405 2.2414 2.6090 2.6102 3.1659 3.1661 3.1825 3.1841 3.7783 3.7788 4.2135 4.2152 4.7394 4.7396 4.8931 4.8938 12.0643 12.0644 12.2332 12.2362 12.4605 12.4609 12.8807 12.8864 13.3744 13.3778 k = 0.0000 0.5587 0.4237 ( 4342 PWs) bands (ev): -13.6615 -13.6613 -13.5725 -13.5723 -10.0843 -10.0841 -9.8974 -9.8965 -9.3748 -9.3743 -9.2860 -9.2848 -3.0237 -3.0218 -2.7969 -2.7961 -1.2219 -1.2196 -0.7563 -0.7525 -0.0560 -0.0523 0.1894 0.1895 0.6335 0.6359 0.7062 0.7069 1.2980 1.2988 1.4721 1.4726 2.2576 2.2585 2.5923 2.5936 3.1554 3.1555 3.1638 3.1656 3.8075 3.8080 4.1944 4.1961 4.7442 4.7445 4.8809 4.8816 12.1033 12.1034 12.2757 12.2789 12.4719 12.4726 12.8507 12.8566 13.3032 13.3066 k = 0.0000 0.5587 0.4400 ( 4348 PWs) bands (ev): -13.6547 -13.6546 -13.5780 -13.5779 -10.0456 -10.0453 -9.8690 -9.8680 -9.4195 -9.4191 -9.3274 -9.3262 -3.0040 -3.0020 -2.8069 -2.8059 -1.1906 -1.1882 -0.7808 -0.7773 -0.0430 -0.0393 0.1758 0.1766 0.6750 0.6769 0.7424 0.7428 1.2823 1.2831 1.4390 1.4396 2.2763 2.2772 2.5731 2.5743 3.1448 3.1449 3.1475 3.1494 3.8372 3.8376 4.1733 4.1748 4.7501 4.7505 4.8688 4.8696 12.1472 12.1475 12.3202 12.3236 12.4849 12.4859 12.8170 12.8230 13.2363 13.2395 k = 0.0000 0.5587 0.4563 ( 4352 PWs) bands (ev): -13.6479 -13.6478 -13.5838 -13.5836 -10.0063 -10.0060 -9.8421 -9.8412 -9.4614 -9.4609 -9.3679 -9.3667 -2.9843 -2.9824 -2.8182 -2.8171 -1.1582 -1.1557 -0.8095 -0.8061 -0.0277 -0.0240 0.1596 0.1608 0.7165 0.7180 0.7773 0.7776 1.2680 1.2687 1.4057 1.4062 2.2967 2.2976 2.5514 2.5526 3.1325 3.1336 3.1358 3.1370 3.8672 3.8676 4.1503 4.1517 4.7569 4.7573 4.8569 4.8577 12.1957 12.1963 12.3650 12.3685 12.4990 12.5004 12.7794 12.7853 13.1769 13.1797 k = 0.0000 0.5587 0.4726 ( 4356 PWs) bands (ev): -13.6412 -13.6411 -13.5897 -13.5895 -9.9668 -9.9665 -9.8187 -9.8177 -9.4985 -9.4980 -9.4071 -9.4059 -2.9649 -2.9630 -2.8307 -2.8295 -1.1246 -1.1221 -0.8412 -0.8379 -0.0108 -0.0073 0.1417 0.1433 0.7560 0.7573 0.8092 0.8092 1.2560 1.2567 1.3726 1.3731 2.3187 2.3196 2.5276 2.5288 3.1214 3.1229 3.1267 3.1276 3.8973 3.8978 4.1258 4.1271 4.7645 4.7650 4.8452 4.8459 12.2478 12.2488 12.4075 12.4112 12.5138 12.5156 12.7376 12.7430 13.1286 13.1307 k = 0.0000 0.5587 0.4889 ( 4350 PWs) bands (ev): -13.6345 -13.6343 -13.5957 -13.5956 -9.9277 -9.9273 -9.8016 -9.8008 -9.5279 -9.5273 -9.4444 -9.4433 -2.9458 -2.9439 -2.8444 -2.8431 -1.0901 -1.0875 -0.8750 -0.8718 0.0072 0.0106 0.1228 0.1249 0.7918 0.7930 0.8354 0.8356 1.2480 1.2487 1.3405 1.3411 2.3423 2.3432 2.5021 2.5033 3.1131 3.1147 3.1188 3.1198 3.9274 3.9280 4.0999 4.1011 4.7728 4.7734 4.8337 4.8345 12.3027 12.3041 12.4442 12.4478 12.5285 12.5309 12.6923 12.6967 13.0954 13.0965 k = 0.0000 0.5587 0.5052 ( 4348 PWs) bands (ev): -13.6278 -13.6277 -13.6019 -13.6018 -9.8897 -9.8893 -9.7954 -9.7946 -9.5450 -9.5443 -9.4791 -9.4780 -2.9271 -2.9254 -2.8592 -2.8577 -1.0548 -1.0521 -0.9102 -0.9071 0.0258 0.0291 0.1035 0.1059 0.8222 0.8232 0.8538 0.8542 1.2457 1.2464 1.3106 1.3113 2.3673 2.3683 2.4754 2.4765 3.1077 3.1094 3.1124 3.1135 3.9573 3.9580 4.0729 4.0739 4.7818 4.7824 4.8225 4.8233 12.3587 12.3604 12.4702 12.4731 12.5425 12.5454 12.6456 12.6484 13.0807 13.0808 k = 0.0000 0.5587 0.5215 ( 4350 PWs) bands (ev): -13.6212 -13.6211 -13.6082 -13.6081 -9.8544 -9.8540 -9.8032 -9.8026 -9.5466 -9.5457 -9.5096 -9.5085 -2.9091 -2.9073 -2.8750 -2.8734 -1.0189 -1.0160 -0.9462 -0.9432 0.0450 0.0481 0.0840 0.0866 0.8452 0.8461 0.8620 0.8626 1.2509 1.2516 1.2845 1.2852 2.3935 2.3946 2.4480 2.4491 3.1052 3.1067 3.1078 3.1091 3.9870 3.9877 4.0449 4.0459 4.7913 4.7919 4.8117 4.8124 12.4125 12.4145 12.4779 12.4790 12.5561 12.5592 12.6038 12.6040 13.0859 13.0867 k = 0.0000 0.5587 0.5378 ( 4352 PWs) bands (ev): -13.6147 -13.6147 -13.6145 -13.6145 -9.8243 -9.8243 -9.8238 -9.8238 -9.5334 -9.5334 -9.5324 -9.5324 -2.8916 -2.8916 -2.8900 -2.8900 -0.9826 -0.9826 -0.9797 -0.9797 0.0644 0.0644 0.0673 0.0673 0.8590 0.8590 0.8598 0.8598 1.2641 1.2641 1.2647 1.2647 2.4206 2.4206 2.4216 2.4216 3.1053 3.1053 3.1067 3.1067 4.0163 4.0163 4.0171 4.0171 4.8013 4.8013 4.8020 4.8020 12.4570 12.4570 12.4582 12.4582 12.5733 12.5733 12.5757 12.5757 13.1117 13.1117 k = 0.0000 0.5587 0.5378 ( 4352 PWs) bands (ev): -13.6147 -13.6147 -13.6145 -13.6145 -9.8243 -9.8243 -9.8238 -9.8238 -9.5334 -9.5334 -9.5324 -9.5324 -2.8916 -2.8916 -2.8900 -2.8900 -0.9826 -0.9826 -0.9797 -0.9797 0.0644 0.0644 0.0673 0.0673 0.8590 0.8590 0.8598 0.8598 1.2641 1.2641 1.2647 1.2647 2.4206 2.4206 2.4216 2.4216 3.1053 3.1053 3.1067 3.1067 4.0163 4.0163 4.0171 4.0171 4.8013 4.8013 4.8020 4.8020 12.4570 12.4570 12.4582 12.4582 12.5733 12.5733 12.5757 12.5757 13.1117 13.1117 k = 0.0165 0.5587 0.5378 ( 4350 PWs) bands (ev): -13.6145 -13.6145 -13.6144 -13.6144 -9.8267 -9.8267 -9.8261 -9.8261 -9.5312 -9.5312 -9.5302 -9.5302 -2.8899 -2.8899 -2.8883 -2.8883 -0.9866 -0.9866 -0.9837 -0.9837 0.0671 0.0671 0.0700 0.0700 0.8573 0.8573 0.8588 0.8588 1.2655 1.2655 1.2673 1.2673 2.4193 2.4193 2.4206 2.4206 3.1062 3.1062 3.1078 3.1078 4.0170 4.0170 4.0178 4.0178 4.7995 4.7995 4.8002 4.8002 12.4559 12.4559 12.4575 12.4575 12.5741 12.5741 12.5768 12.5768 13.1112 13.1112 k = 0.0329 0.5587 0.5378 ( 4352 PWs) bands (ev): -13.6142 -13.6142 -13.6140 -13.6140 -9.8339 -9.8339 -9.8331 -9.8331 -9.5249 -9.5249 -9.5238 -9.5238 -2.8848 -2.8848 -2.8832 -2.8832 -0.9987 -0.9987 -0.9958 -0.9958 0.0749 0.0749 0.0778 0.0778 0.8528 0.8528 0.8553 0.8553 1.2708 1.2708 1.2740 1.2740 2.4156 2.4156 2.4174 2.4174 3.1090 3.1090 3.1108 3.1108 4.0190 4.0190 4.0199 4.0199 4.7942 4.7942 4.7951 4.7951 12.4531 12.4531 12.4554 12.4554 12.5765 12.5765 12.5798 12.5798 13.1099 13.1099 k = 0.0494 0.5587 0.5378 ( 4350 PWs) bands (ev): -13.6135 -13.6135 -13.6134 -13.6134 -9.8450 -9.8450 -9.8441 -9.8441 -9.5150 -9.5150 -9.5137 -9.5137 -2.8764 -2.8764 -2.8747 -2.8747 -1.0183 -1.0183 -1.0155 -1.0155 0.0875 0.0875 0.0905 0.0905 0.8459 0.8459 0.8495 0.8495 1.2797 1.2797 1.2844 1.2844 2.4096 2.4096 2.4120 2.4120 3.1135 3.1135 3.1157 3.1157 4.0225 4.0225 4.0235 4.0235 4.7855 4.7855 4.7865 4.7865 12.4488 12.4488 12.4518 12.4518 12.5804 12.5804 12.5845 12.5845 13.1077 13.1077 k = 0.0659 0.5587 0.5378 ( 4350 PWs) bands (ev): -13.6127 -13.6127 -13.6125 -13.6125 -9.8595 -9.8595 -9.8584 -9.8584 -9.5022 -9.5022 -9.5008 -9.5008 -2.8646 -2.8646 -2.8629 -2.8629 -1.0449 -1.0449 -1.0422 -1.0422 0.1043 0.1043 0.1074 0.1074 0.8372 0.8372 0.8416 0.8416 1.2920 1.2920 1.2979 1.2979 2.4017 2.4017 2.4046 2.4046 3.1196 3.1196 3.1221 3.1221 4.0274 4.0274 4.0284 4.0284 4.7735 4.7735 4.7747 4.7747 12.4433 12.4433 12.4469 12.4469 12.5856 12.5856 12.5904 12.5904 13.1047 13.1047 k = 0.0823 0.5587 0.5378 ( 4342 PWs) bands (ev): -13.6116 -13.6116 -13.6115 -13.6115 -9.8765 -9.8765 -9.8752 -9.8752 -9.4872 -9.4872 -9.4857 -9.4857 -2.8496 -2.8496 -2.8478 -2.8478 -1.0778 -1.0778 -1.0752 -1.0752 0.1245 0.1245 0.1277 0.1277 0.8269 0.8269 0.8321 0.8321 1.3072 1.3072 1.3142 1.3142 2.3919 2.3919 2.3954 2.3954 3.1270 3.1270 3.1298 3.1298 4.0336 4.0336 4.0348 4.0348 4.7583 4.7583 4.7597 4.7597 12.4369 12.4369 12.4410 12.4410 12.5918 12.5918 12.5973 12.5973 13.1009 13.1009 k = 0.0988 0.5587 0.5378 ( 4342 PWs) bands (ev): -13.6103 -13.6103 -13.6102 -13.6102 -9.8953 -9.8953 -9.8940 -9.8940 -9.4706 -9.4706 -9.4691 -9.4691 -2.8313 -2.8313 -2.8295 -2.8295 -1.1162 -1.1162 -1.1138 -1.1138 0.1476 0.1476 0.1509 0.1509 0.8156 0.8156 0.8213 0.8213 1.3249 1.3249 1.3327 1.3327 2.3806 2.3806 2.3846 2.3846 3.1354 3.1354 3.1385 3.1385 4.0413 4.0413 4.0426 4.0426 4.7403 4.7403 4.7418 4.7418 12.4297 12.4297 12.4340 12.4340 12.5988 12.5988 12.6050 12.6050 13.0965 13.0965 k = 0.1153 0.5587 0.5378 ( 4332 PWs) bands (ev): -13.6088 -13.6088 -13.6087 -13.6087 -9.9156 -9.9156 -9.9142 -9.9142 -9.4529 -9.4529 -9.4513 -9.4513 -2.8100 -2.8100 -2.8082 -2.8082 -1.1595 -1.1595 -1.1571 -1.1571 0.1727 0.1727 0.1762 0.1762 0.8036 0.8036 0.8097 0.8097 1.3445 1.3445 1.3532 1.3532 2.3681 2.3681 2.3724 2.3724 3.1445 3.1445 3.1479 3.1479 4.0505 4.0505 4.0519 4.0519 4.7195 4.7195 4.7213 4.7213 12.4217 12.4217 12.4262 12.4262 12.6064 12.6064 12.6132 12.6132 13.0916 13.0916 k = 0.1317 0.5587 0.5378 ( 4334 PWs) bands (ev): -13.6071 -13.6071 -13.6070 -13.6070 -9.9368 -9.9368 -9.9354 -9.9354 -9.4345 -9.4345 -9.4329 -9.4329 -2.7857 -2.7857 -2.7838 -2.7838 -1.2069 -1.2069 -1.2046 -1.2046 0.1993 0.1993 0.2029 0.2029 0.7913 0.7913 0.7977 0.7977 1.3658 1.3658 1.3750 1.3750 2.3545 2.3545 2.3593 2.3593 3.1541 3.1541 3.1576 3.1576 4.0610 4.0610 4.0625 4.0625 4.6964 4.6964 4.6983 4.6983 12.4130 12.4130 12.4176 12.4176 12.6145 12.6145 12.6219 12.6219 13.0862 13.0862 k = 0.1482 0.5587 0.5378 ( 4334 PWs) bands (ev): -13.6053 -13.6053 -13.6051 -13.6051 -9.9586 -9.9586 -9.9571 -9.9571 -9.4156 -9.4156 -9.4139 -9.4139 -2.7586 -2.7586 -2.7566 -2.7566 -1.2578 -1.2578 -1.2556 -1.2556 0.2268 0.2268 0.2306 0.2306 0.7789 0.7789 0.7855 0.7855 1.3883 1.3883 1.3981 1.3981 2.3402 2.3402 2.3453 2.3453 3.1637 3.1637 3.1673 3.1673 4.0728 4.0728 4.0744 4.0744 4.6712 4.6712 4.6733 4.6733 12.4035 12.4035 12.4081 12.4081 12.6228 12.6228 12.6309 12.6309 13.0805 13.0805 k = 0.1647 0.5587 0.5378 ( 4344 PWs) bands (ev): -13.6033 -13.6033 -13.6032 -13.6032 -9.9807 -9.9807 -9.9793 -9.9793 -9.3964 -9.3964 -9.3947 -9.3947 -2.7287 -2.7287 -2.7268 -2.7268 -1.3118 -1.3118 -1.3097 -1.3097 0.2548 0.2548 0.2587 0.2587 0.7666 0.7666 0.7733 0.7733 1.4117 1.4117 1.4219 1.4219 2.3254 2.3254 2.3308 2.3308 3.1731 3.1731 3.1768 3.1768 4.0860 4.0860 4.0877 4.0877 4.6444 4.6444 4.6467 4.6467 12.3931 12.3931 12.3978 12.3978 12.6314 12.6314 12.6401 12.6401 13.0748 13.0748 k = 0.1811 0.5587 0.5378 ( 4348 PWs) bands (ev): -13.6012 -13.6012 -13.6011 -13.6011 -10.0030 -10.0030 -10.0016 -10.0016 -9.3771 -9.3771 -9.3754 -9.3754 -2.6963 -2.6963 -2.6944 -2.6944 -1.3683 -1.3683 -1.3662 -1.3662 0.2828 0.2828 0.2868 0.2868 0.7547 0.7547 0.7615 0.7615 1.4357 1.4357 1.4462 1.4462 2.3105 2.3105 2.3160 2.3160 3.1821 3.1821 3.1857 3.1857 4.1002 4.1002 4.1020 4.1020 4.6165 4.6165 4.6189 4.6189 12.3817 12.3817 12.3864 12.3864 12.6399 12.6399 12.6493 12.6493 13.0694 13.0694 k = 0.1976 0.5587 0.5378 ( 4338 PWs) bands (ev): -13.5991 -13.5991 -13.5990 -13.5990 -10.0253 -10.0253 -10.0238 -10.0238 -9.3578 -9.3578 -9.3561 -9.3561 -2.6616 -2.6616 -2.6596 -2.6596 -1.4269 -1.4269 -1.4249 -1.4249 0.3104 0.3104 0.3146 0.3146 0.7434 0.7434 0.7501 0.7501 1.4599 1.4599 1.4706 1.4706 2.2955 2.2955 2.3012 2.3012 3.1903 3.1903 3.1939 3.1939 4.1154 4.1154 4.1173 4.1173 4.5879 4.5879 4.5904 4.5904 12.3693 12.3693 12.3739 12.3739 12.6483 12.6483 12.6583 12.6583 13.0645 13.0645 k = 0.2140 0.5587 0.5378 ( 4342 PWs) bands (ev): -13.5969 -13.5969 -13.5968 -13.5968 -10.0473 -10.0473 -10.0458 -10.0458 -9.3386 -9.3386 -9.3369 -9.3369 -2.6249 -2.6249 -2.6228 -2.6228 -1.4872 -1.4872 -1.4852 -1.4852 0.3375 0.3375 0.3417 0.3417 0.7327 0.7327 0.7394 0.7394 1.4840 1.4840 1.4949 1.4949 2.2809 2.2809 2.2867 2.2867 3.1977 3.1977 3.2012 3.2012 4.1312 4.1312 4.1332 4.1332 4.5593 4.5593 4.5619 4.5619 12.3557 12.3557 12.3603 12.3603 12.6564 12.6564 12.6669 12.6669 13.0604 13.0604 k = 0.2305 0.5587 0.5378 ( 4344 PWs) bands (ev): -13.5947 -13.5947 -13.5945 -13.5945 -10.0689 -10.0689 -10.0675 -10.0675 -9.3195 -9.3195 -9.3178 -9.3178 -2.5862 -2.5862 -2.5842 -2.5842 -1.5488 -1.5488 -1.5469 -1.5469 0.3637 0.3637 0.3681 0.3681 0.7228 0.7228 0.7294 0.7294 1.5076 1.5076 1.5188 1.5188 2.2669 2.2669 2.2728 2.2728 3.2040 3.2040 3.2074 3.2074 4.1471 4.1471 4.1492 4.1492 4.5315 4.5315 4.5341 4.5341 12.3408 12.3408 12.3454 12.3454 12.6639 12.6639 12.6749 12.6749 13.0577 13.0577 k = 0.2470 0.5587 0.5378 ( 4344 PWs) bands (ev): -13.5925 -13.5925 -13.5923 -13.5923 -10.0901 -10.0901 -10.0887 -10.0887 -9.3005 -9.3005 -9.2989 -9.2989 -2.5462 -2.5462 -2.5442 -2.5442 -1.6113 -1.6113 -1.6095 -1.6095 0.3889 0.3889 0.3933 0.3933 0.7139 0.7139 0.7204 0.7204 1.5304 1.5304 1.5417 1.5417 2.2538 2.2538 2.2597 2.2597 3.2092 3.2092 3.2124 3.2124 4.1623 4.1623 4.1644 4.1644 4.5055 4.5055 4.5081 4.5081 12.3246 12.3246 12.3291 12.3291 12.6705 12.6705 12.6819 12.6819 13.0566 13.0566 k = 0.2634 0.5587 0.5378 ( 4346 PWs) bands (ev): -13.5903 -13.5903 -13.5902 -13.5902 -10.1106 -10.1106 -10.1092 -10.1092 -9.2818 -9.2818 -9.2802 -9.2802 -2.5050 -2.5050 -2.5031 -2.5031 -1.6743 -1.6743 -1.6725 -1.6725 0.4127 0.4127 0.4173 0.4173 0.7061 0.7061 0.7124 0.7124 1.5520 1.5520 1.5633 1.5633 2.2421 2.2421 2.2480 2.2480 3.2132 3.2132 3.2162 3.2162 4.1757 4.1757 4.1780 4.1780 4.4827 4.4827 4.4852 4.4852 12.3069 12.3069 12.3115 12.3115 12.6759 12.6759 12.6876 12.6876 13.0577 13.0577 k = 0.2799 0.5587 0.5378 ( 4342 PWs) bands (ev): -13.5882 -13.5882 -13.5881 -13.5881 -10.1304 -10.1304 -10.1290 -10.1290 -9.2633 -9.2633 -9.2617 -9.2617 -2.4634 -2.4634 -2.4616 -2.4616 -1.7370 -1.7370 -1.7353 -1.7353 0.4351 0.4351 0.4397 0.4397 0.6996 0.6996 0.7058 0.7058 1.5717 1.5717 1.5831 1.5831 2.2322 2.2322 2.2380 2.2380 3.2160 3.2160 3.2189 3.2189 4.1858 4.1858 4.1882 4.1882 4.4648 4.4648 4.4670 4.4670 12.2879 12.2879 12.2924 12.2924 12.6797 12.6797 12.6916 12.6916 13.0611 13.0611 k = 0.2964 0.5587 0.5378 ( 4342 PWs) bands (ev): -13.5863 -13.5863 -13.5862 -13.5862 -10.1494 -10.1494 -10.1480 -10.1480 -9.2451 -9.2451 -9.2435 -9.2435 -2.4222 -2.4222 -2.4206 -2.4206 -1.7986 -1.7986 -1.7971 -1.7971 0.4556 0.4556 0.4603 0.4603 0.6947 0.6947 0.7007 0.7007 1.5890 1.5890 1.6005 1.6005 2.2245 2.2245 2.2303 2.2303 3.2175 3.2175 3.2203 3.2203 4.1909 4.1909 4.1933 4.1933 4.4538 4.4538 4.4557 4.4557 12.2674 12.2674 12.2719 12.2719 12.6819 12.6819 12.6938 12.6938 13.0673 13.0673 k = 0.3128 0.5587 0.5378 ( 4342 PWs) bands (ev): -13.5844 -13.5844 -13.5844 -13.5844 -10.1675 -10.1675 -10.1661 -10.1661 -9.2271 -9.2271 -9.2255 -9.2255 -2.3829 -2.3829 -2.3816 -2.3816 -1.8578 -1.8578 -1.8565 -1.8565 0.4740 0.4740 0.4787 0.4787 0.6917 0.6917 0.6974 0.6974 1.6033 1.6033 1.6148 1.6148 2.2197 2.2197 2.2253 2.2253 3.2180 3.2180 3.2205 3.2205 4.1896 4.1896 4.1920 4.1920 4.4511 4.4511 4.4525 4.4525 12.2455 12.2455 12.2499 12.2499 12.6822 12.6822 12.6940 12.6940 13.0761 13.0762 k = 0.3293 0.5587 0.5378 ( 4342 PWs) bands (ev): -13.5828 -13.5828 -13.5827 -13.5827 -10.1845 -10.1845 -10.1832 -10.1832 -9.2095 -9.2095 -9.2079 -9.2079 -2.3480 -2.3480 -2.3471 -2.3471 -1.9118 -1.9118 -1.9110 -1.9110 0.4898 0.4898 0.4946 0.4946 0.6910 0.6910 0.6965 0.6965 1.6140 1.6140 1.6255 1.6255 2.2182 2.2182 2.2238 2.2238 3.2173 3.2173 3.2198 3.2198 4.1816 4.1816 4.1840 4.1840 4.4571 4.4571 4.4581 4.4581 12.2223 12.2223 12.2266 12.2266 12.6805 12.6805 12.6921 12.6921 13.0877 13.0877 k = 0.3458 0.5587 0.5378 ( 4346 PWs) bands (ev): -13.5814 -13.5814 -13.5813 -13.5813 -10.2005 -10.2005 -10.1992 -10.1992 -9.1921 -9.1921 -9.1905 -9.1905 -2.3221 -2.3221 -2.3218 -2.3218 -1.9563 -1.9563 -1.9561 -1.9561 0.5027 0.5027 0.5074 0.5074 0.6930 0.6930 0.6983 0.6983 1.6206 1.6206 1.6319 1.6319 2.2207 2.2207 2.2261 2.2261 3.2157 3.2157 3.2180 3.2180 4.1679 4.1679 4.1704 4.1704 4.4706 4.4706 4.4715 4.4715 12.1976 12.1976 12.2020 12.2020 12.6771 12.6771 12.6884 12.6884 13.1015 13.1015 k = 0.3458 0.5587 0.5378 ( 4346 PWs) bands (ev): -13.5814 -13.5814 -13.5813 -13.5813 -10.2005 -10.2005 -10.1992 -10.1992 -9.1921 -9.1921 -9.1905 -9.1905 -2.3221 -2.3221 -2.3218 -2.3218 -1.9563 -1.9563 -1.9561 -1.9561 0.5027 0.5027 0.5074 0.5074 0.6930 0.6930 0.6983 0.6983 1.6206 1.6206 1.6319 1.6319 2.2207 2.2207 2.2261 2.2261 3.2157 3.2157 3.2180 3.2180 4.1679 4.1679 4.1704 4.1704 4.4706 4.4706 4.4715 4.4715 12.1976 12.1976 12.2020 12.2020 12.6771 12.6771 12.6884 12.6884 13.1015 13.1016 k = 0.3371 0.5447 0.5378 ( 4350 PWs) bands (ev): -13.5839 -13.5839 -13.5838 -13.5838 -10.1706 -10.1706 -10.1692 -10.1692 -9.2250 -9.2250 -9.2234 -9.2234 -2.3590 -2.3590 -2.3586 -2.3586 -1.8835 -1.8835 -1.8834 -1.8834 0.4803 0.4803 0.4850 0.4850 0.6863 0.6863 0.6920 0.6920 1.6131 1.6131 1.6245 1.6245 2.2125 2.2125 2.2181 2.2181 3.2194 3.2194 3.2219 3.2219 4.1988 4.1988 4.2013 4.2013 4.4392 4.4392 4.4401 4.4401 12.2445 12.2445 12.2489 12.2489 12.6843 12.6843 12.6962 12.6962 13.0749 13.0749 k = 0.3285 0.5307 0.5378 ( 4350 PWs) bands (ev): -13.5866 -13.5866 -13.5865 -13.5865 -10.1393 -10.1393 -10.1379 -10.1379 -9.2585 -9.2585 -9.2568 -9.2568 -2.3977 -2.3977 -2.3974 -2.3974 -1.8091 -1.8091 -1.8091 -1.8091 0.4556 0.4556 0.4602 0.4602 0.6797 0.6797 0.6857 0.6857 1.6069 1.6069 1.6184 1.6184 2.2051 2.2051 2.2109 2.2109 3.2227 3.2227 3.2254 3.2254 4.2311 4.2311 4.2335 4.2335 4.4086 4.4086 4.4095 4.4095 12.2884 12.2884 12.2928 12.2928 12.6892 12.6892 12.7015 12.7015 13.0520 13.0520 k = 0.3198 0.5168 0.5378 ( 4354 PWs) bands (ev): -13.5893 -13.5893 -13.5893 -13.5893 -10.1066 -10.1066 -10.1051 -10.1051 -9.2922 -9.2922 -9.2905 -9.2905 -2.4383 -2.4383 -2.4380 -2.4380 -1.7335 -1.7335 -1.7334 -1.7334 0.4287 0.4287 0.4331 0.4331 0.6731 0.6731 0.6794 0.6794 1.6022 1.6022 1.6137 1.6137 2.1986 2.1986 2.2047 2.2047 3.2256 3.2256 3.2286 3.2286 4.2645 4.2645 4.2668 4.2668 4.3789 4.3789 4.3798 4.3798 12.3275 12.3275 12.3317 12.3317 12.6911 12.6911 12.7037 12.7037 13.0347 13.0347 k = 0.3112 0.5028 0.5378 ( 4354 PWs) bands (ev): -13.5922 -13.5922 -13.5921 -13.5921 -10.0726 -10.0726 -10.0711 -10.0711 -9.3261 -9.3261 -9.3244 -9.3244 -2.4807 -2.4807 -2.4805 -2.4805 -1.6569 -1.6569 -1.6566 -1.6566 0.3995 0.3995 0.4038 0.4038 0.6666 0.6666 0.6733 0.6733 1.5991 1.5991 1.6105 1.6105 2.1932 2.1932 2.1995 2.1995 3.2281 3.2281 3.2313 3.2313 4.2990 4.2990 4.3012 4.3012 4.3504 4.3504 4.3512 4.3512 12.3597 12.3597 12.3637 12.3637 12.6892 12.6892 12.7021 12.7021 13.0249 13.0249 k = 0.3025 0.4888 0.5378 ( 4352 PWs) bands (ev): -13.5952 -13.5952 -13.5951 -13.5951 -10.0374 -10.0374 -10.0358 -10.0358 -9.3601 -9.3601 -9.3584 -9.3584 -2.5250 -2.5250 -2.5247 -2.5247 -1.5796 -1.5796 -1.5792 -1.5792 0.3682 0.3682 0.3723 0.3723 0.6603 0.6603 0.6673 0.6673 1.5976 1.5976 1.6088 1.6088 2.1890 2.1890 2.1955 2.1955 3.2302 3.2302 3.2337 3.2337 4.3226 4.3226 4.3236 4.3236 4.3348 4.3348 4.3372 4.3372 12.3830 12.3830 12.3867 12.3867 12.6829 12.6829 12.6960 12.6960 13.0246 13.0246 k = 0.2939 0.4749 0.5378 ( 4342 PWs) bands (ev): -13.5982 -13.5982 -13.5981 -13.5981 -10.0009 -10.0009 -9.9993 -9.9993 -9.3940 -9.3940 -9.3924 -9.3924 -2.5710 -2.5710 -2.5708 -2.5708 -1.5019 -1.5019 -1.5013 -1.5013 0.3350 0.3350 0.3388 0.3388 0.6542 0.6542 0.6615 0.6615 1.5978 1.5978 1.6088 1.6088 2.1861 2.1861 2.1928 2.1928 3.2320 3.2320 3.2358 3.2358 4.2968 4.2968 4.2976 4.2976 4.3710 4.3710 4.3732 4.3732 12.3962 12.3962 12.3994 12.3994 12.6719 12.6719 12.6851 12.6851 13.0349 13.0349 k = 0.2853 0.4609 0.5378 ( 4338 PWs) bands (ev): -13.6013 -13.6013 -13.6012 -13.6012 -9.9634 -9.9634 -9.9617 -9.9617 -9.4278 -9.4278 -9.4261 -9.4261 -2.6186 -2.6186 -2.6185 -2.6185 -1.4241 -1.4241 -1.4233 -1.4233 0.2998 0.2998 0.3034 0.3034 0.6483 0.6483 0.6559 0.6559 1.5997 1.5997 1.6104 1.6104 2.1846 2.1846 2.1916 2.1916 3.2335 3.2335 3.2375 3.2375 4.2721 4.2721 4.2729 4.2729 4.4082 4.4082 4.4102 4.4102 12.3988 12.3988 12.4015 12.4015 12.6556 12.6556 12.6689 12.6689 13.0560 13.0560 k = 0.2766 0.4469 0.5378 ( 4330 PWs) bands (ev): -13.6046 -13.6046 -13.6045 -13.6045 -9.9247 -9.9247 -9.9230 -9.9230 -9.4613 -9.4613 -9.4597 -9.4597 -2.6679 -2.6679 -2.6678 -2.6678 -1.3466 -1.3466 -1.3456 -1.3456 0.2630 0.2630 0.2663 0.2663 0.6426 0.6426 0.6505 0.6505 1.6032 1.6032 1.6136 1.6136 2.1846 2.1846 2.1918 2.1918 3.2347 3.2347 3.2391 3.2391 4.2489 4.2489 4.2496 4.2496 4.4460 4.4460 4.4479 4.4479 12.3919 12.3919 12.3941 12.3941 12.6341 12.6341 12.6472 12.6472 13.0867 13.0867 k = 0.2680 0.4330 0.5378 ( 4316 PWs) bands (ev): -13.6078 -13.6078 -13.6077 -13.6077 -9.8851 -9.8851 -9.8833 -9.8833 -9.4945 -9.4945 -9.4929 -9.4929 -2.7188 -2.7188 -2.7187 -2.7187 -1.2697 -1.2697 -1.2684 -1.2684 0.2248 0.2248 0.2278 0.2278 0.6372 0.6372 0.6455 0.6455 1.6082 1.6082 1.6183 1.6183 2.1863 2.1863 2.1936 2.1936 3.2358 3.2358 3.2404 3.2404 4.2271 4.2271 4.2277 4.2277 4.4843 4.4843 4.4860 4.4860 12.3771 12.3771 12.3790 12.3790 12.6072 12.6072 12.6203 12.6203 13.1248 13.1248 k = 0.2593 0.4190 0.5378 ( 4328 PWs) bands (ev): -13.6112 -13.6112 -13.6111 -13.6111 -9.8445 -9.8445 -9.8427 -9.8427 -9.5272 -9.5272 -9.5256 -9.5256 -2.7711 -2.7711 -2.7711 -2.7711 -1.1936 -1.1936 -1.1921 -1.1921 0.1854 0.1854 0.1881 0.1881 0.6321 0.6321 0.6407 0.6407 1.6148 1.6148 1.6245 1.6245 2.1895 2.1895 2.1971 2.1971 3.2367 3.2367 3.2416 3.2416 4.2067 4.2067 4.2073 4.2073 4.5230 4.5230 4.5246 4.5246 12.3565 12.3565 12.3581 12.3581 12.5753 12.5753 12.5881 12.5881 13.1678 13.1678 k = 0.2507 0.4050 0.5378 ( 4334 PWs) bands (ev): -13.6145 -13.6145 -13.6144 -13.6144 -9.8030 -9.8030 -9.8012 -9.8012 -9.5595 -9.5595 -9.5578 -9.5578 -2.8248 -2.8248 -2.8248 -2.8248 -1.1188 -1.1188 -1.1170 -1.1170 0.1451 0.1451 0.1475 0.1475 0.6274 0.6274 0.6364 0.6364 1.6227 1.6227 1.6320 1.6320 2.1944 2.1944 2.2022 2.2022 3.2376 3.2376 3.2428 3.2428 4.1878 4.1878 4.1883 4.1883 4.5619 4.5619 4.5634 4.5634 12.3319 12.3319 12.3332 12.3332 12.5387 12.5387 12.5512 12.5512 13.2133 13.2133 k = 0.2420 0.3911 0.5378 ( 4338 PWs) bands (ev): -13.6180 -13.6180 -13.6179 -13.6179 -9.7608 -9.7608 -9.7590 -9.7590 -9.5911 -9.5911 -9.5895 -9.5895 -2.8798 -2.8798 -2.8797 -2.8797 -1.0454 -1.0454 -1.0433 -1.0433 0.1041 0.1041 0.1062 0.1062 0.6231 0.6231 0.6324 0.6324 1.6319 1.6319 1.6409 1.6409 2.2010 2.2010 2.2090 2.2090 3.2386 3.2386 3.2441 3.2441 4.1703 4.1703 4.1708 4.1708 4.6010 4.6010 4.6023 4.6023 12.3048 12.3048 12.3059 12.3059 12.4978 12.4978 12.5099 12.5099 13.2590 13.2590 k = 0.2334 0.3771 0.5378 ( 4338 PWs) bands (ev): -13.6214 -13.6214 -13.6213 -13.6213 -9.7179 -9.7179 -9.7160 -9.7160 -9.6220 -9.6220 -9.6205 -9.6205 -2.9359 -2.9359 -2.9357 -2.9357 -0.9738 -0.9738 -0.9714 -0.9714 0.0626 0.0626 0.0645 0.0645 0.6193 0.6193 0.6289 0.6289 1.6423 1.6423 1.6508 1.6508 2.2092 2.2092 2.2175 2.2175 3.2398 3.2398 3.2457 3.2457 4.1542 4.1542 4.1546 4.1546 4.6400 4.6400 4.6412 4.6412 12.2763 12.2763 12.2772 12.2772 12.4531 12.4531 12.4649 12.4649 13.3027 13.3027 k = 0.2247 0.3631 0.5378 ( 4340 PWs) bands (ev): -13.6249 -13.6249 -13.6248 -13.6248 -9.6745 -9.6745 -9.6725 -9.6725 -9.6522 -9.6522 -9.6507 -9.6507 -2.9929 -2.9929 -2.9927 -2.9927 -0.9043 -0.9043 -0.9016 -0.9016 0.0210 0.0210 0.0227 0.0227 0.6160 0.6160 0.6259 0.6259 1.6536 1.6536 1.6618 1.6618 2.2190 2.2190 2.2274 2.2274 3.2413 3.2413 3.2475 3.2475 4.1395 4.1395 4.1399 4.1399 4.6789 4.6789 4.6800 4.6800 12.2474 12.2474 12.2482 12.2482 12.4053 12.4053 12.4166 12.4166 13.3422 13.3422 k = 0.2161 0.3492 0.5378 ( 4348 PWs) bands (ev): -13.6284 -13.6284 -13.6283 -13.6283 -9.6817 -9.6817 -9.6802 -9.6802 -9.6303 -9.6303 -9.6285 -9.6285 -3.0508 -3.0508 -3.0506 -3.0506 -0.8371 -0.8371 -0.8341 -0.8341 -0.0205 -0.0205 -0.0191 -0.0191 0.6133 0.6133 0.6234 0.6234 1.6659 1.6659 1.6737 1.6737 2.2302 2.2302 2.2389 2.2389 3.2433 3.2433 3.2497 3.2497 4.1261 4.1261 4.1264 4.1264 4.7176 4.7176 4.7185 4.7185 12.2188 12.2188 12.2195 12.2195 12.3549 12.3549 12.3658 12.3658 13.3755 13.3755 k = 0.2075 0.3352 0.5378 ( 4340 PWs) bands (ev): -13.6318 -13.6318 -13.6317 -13.6317 -9.7103 -9.7103 -9.7088 -9.7088 -9.5860 -9.5860 -9.5842 -9.5842 -3.1094 -3.1094 -3.1091 -3.1091 -0.7725 -0.7725 -0.7691 -0.7691 -0.0618 -0.0618 -0.0606 -0.0606 0.6112 0.6112 0.6216 0.6216 1.6790 1.6790 1.6864 1.6864 2.2428 2.2428 2.2516 2.2516 3.2458 3.2458 3.2526 3.2526 4.1140 4.1140 4.1142 4.1142 4.7559 4.7559 4.7566 4.7566 12.1910 12.1910 12.1917 12.1917 12.3024 12.3024 12.3128 12.3128 13.4006 13.4006 k = 0.1988 0.3212 0.5378 ( 4332 PWs) bands (ev): -13.6353 -13.6353 -13.6352 -13.6352 -9.7380 -9.7380 -9.7366 -9.7366 -9.5414 -9.5414 -9.5396 -9.5396 -3.1685 -3.1685 -3.1681 -3.1681 -0.7107 -0.7107 -0.7070 -0.7070 -0.1026 -0.1026 -0.1016 -0.1016 0.6098 0.6098 0.6204 0.6204 1.6927 1.6927 1.6997 1.6997 2.2565 2.2565 2.2655 2.2655 3.2491 3.2491 3.2562 3.2562 4.1031 4.1031 4.1032 4.1032 4.7936 4.7936 4.7942 4.7942 12.1645 12.1645 12.1651 12.1651 12.2485 12.2485 12.2584 12.2584 13.4158 13.4158 k = 0.1902 0.3073 0.5378 ( 4328 PWs) bands (ev): -13.6387 -13.6387 -13.6386 -13.6386 -9.7647 -9.7647 -9.7634 -9.7634 -9.4967 -9.4967 -9.4948 -9.4948 -3.2279 -3.2279 -3.2275 -3.2275 -0.6520 -0.6520 -0.6480 -0.6480 -0.1427 -0.1427 -0.1418 -0.1418 0.6091 0.6091 0.6199 0.6199 1.7069 1.7069 1.7136 1.7136 2.2712 2.2712 2.2803 2.2803 3.2534 3.2534 3.2607 3.2607 4.0933 4.0933 4.0934 4.0934 4.8307 4.8307 4.8311 4.8311 12.1396 12.1396 12.1402 12.1402 12.1937 12.1937 12.2030 12.2030 13.4201 13.4201 k = 0.1815 0.2933 0.5378 ( 4332 PWs) bands (ev): -13.6421 -13.6421 -13.6420 -13.6420 -9.7905 -9.7905 -9.7892 -9.7892 -9.4520 -9.4520 -9.4502 -9.4502 -3.2874 -3.2874 -3.2869 -3.2869 -0.5964 -0.5964 -0.5921 -0.5921 -0.1819 -0.1819 -0.1811 -0.1811 0.6093 0.6093 0.6202 0.6202 1.7215 1.7215 1.7278 1.7278 2.2866 2.2866 2.2958 2.2958 3.2587 3.2587 3.2663 3.2663 4.0845 4.0845 4.0846 4.0846 4.8669 4.8669 4.8673 4.8673 12.1161 12.1161 12.1170 12.1170 12.1387 12.1387 12.1472 12.1472 13.4132 13.4132 k = 0.1729 0.2793 0.5378 ( 4332 PWs) bands (ev): -13.6455 -13.6455 -13.6454 -13.6454 -9.8153 -9.8153 -9.8140 -9.8140 -9.4074 -9.4074 -9.4056 -9.4056 -3.3467 -3.3467 -3.3462 -3.3462 -0.5441 -0.5441 -0.5396 -0.5396 -0.2200 -0.2200 -0.2194 -0.2194 0.6102 0.6102 0.6213 0.6213 1.7363 1.7363 1.7423 1.7423 2.3024 2.3024 2.3116 2.3116 3.2652 3.2652 3.2730 3.2730 4.0768 4.0768 4.0768 4.0768 4.9023 4.9023 4.9025 4.9025 12.0812 12.0812 12.0906 12.0906 12.0967 12.0967 12.0972 12.0972 13.3958 13.3958 k = 0.1642 0.2654 0.5378 ( 4340 PWs) bands (ev): -13.6487 -13.6487 -13.6486 -13.6486 -9.8390 -9.8390 -9.8377 -9.8377 -9.3632 -9.3632 -9.3614 -9.3614 -3.4057 -3.4057 -3.4052 -3.4052 -0.4953 -0.4953 -0.4905 -0.4905 -0.2569 -0.2569 -0.2565 -0.2565 0.6120 0.6120 0.6231 0.6231 1.7513 1.7513 1.7569 1.7569 2.3183 2.3183 2.3276 2.3276 3.2730 3.2730 3.2810 3.2810 4.0700 4.0700 4.0700 4.0700 4.9367 4.9367 4.9368 4.9368 12.0269 12.0269 12.0355 12.0355 12.0774 12.0774 12.0776 12.0776 13.3693 13.3693 k = 0.1556 0.2514 0.5378 ( 4348 PWs) bands (ev): -13.6520 -13.6520 -13.6519 -13.6519 -9.8616 -9.8616 -9.8604 -9.8604 -9.3195 -9.3195 -9.3177 -9.3177 -3.4641 -3.4641 -3.4635 -3.4635 -0.4501 -0.4501 -0.4450 -0.4450 -0.2925 -0.2925 -0.2922 -0.2922 0.6147 0.6147 0.6258 0.6258 1.7663 1.7663 1.7716 1.7716 2.3341 2.3341 2.3433 2.3433 3.2823 3.2823 3.2904 3.2904 4.0640 4.0640 4.0641 4.0641 4.9699 4.9699 4.9699 4.9699 11.9727 11.9727 11.9807 11.9807 12.0609 12.0609 12.0610 12.0610 13.3355 13.3355 k = 0.1470 0.2374 0.5378 ( 4348 PWs) bands (ev): -13.6551 -13.6551 -13.6550 -13.6550 -9.8831 -9.8831 -9.8820 -9.8820 -9.2764 -9.2764 -9.2747 -9.2747 -3.5217 -3.5217 -3.5210 -3.5210 -0.4084 -0.4084 -0.4031 -0.4031 -0.3266 -0.3266 -0.3264 -0.3264 0.6183 0.6183 0.6293 0.6293 1.7812 1.7812 1.7862 1.7862 2.3495 2.3495 2.3586 2.3586 3.2931 3.2931 3.3012 3.3012 4.0589 4.0589 4.0590 4.0590 5.0018 5.0018 5.0019 5.0019 11.9194 11.9194 11.9269 11.9269 12.0466 12.0466 12.0467 12.0467 13.2965 13.2965 k = 0.1383 0.2235 0.5378 ( 4352 PWs) bands (ev): -13.6581 -13.6581 -13.6580 -13.6580 -9.9035 -9.9035 -9.9025 -9.9025 -9.2342 -9.2342 -9.2325 -9.2325 -3.5781 -3.5781 -3.5774 -3.5774 -0.3710 -0.3710 -0.3650 -0.3650 -0.3589 -0.3589 -0.3583 -0.3583 0.6227 0.6227 0.6335 0.6335 1.7959 1.7959 1.8005 1.8005 2.3642 2.3642 2.3732 2.3732 3.3054 3.3054 3.3136 3.3136 4.0544 4.0544 4.0546 4.0546 5.0323 5.0323 5.0325 5.0325 11.8676 11.8676 11.8746 11.8746 12.0347 12.0347 12.0348 12.0348 13.2542 13.2542 k = 0.1297 0.2095 0.5378 ( 4360 PWs) bands (ev): -13.6610 -13.6610 -13.6609 -13.6609 -9.9228 -9.9228 -9.9217 -9.9217 -9.1930 -9.1930 -9.1914 -9.1914 -3.6331 -3.6331 -3.6324 -3.6324 -0.3906 -0.3906 -0.3902 -0.3902 -0.3349 -0.3349 -0.3299 -0.3299 0.6278 0.6278 0.6384 0.6384 1.8103 1.8103 1.8146 1.8146 2.3781 2.3781 2.3868 2.3868 3.3192 3.3192 3.3273 3.3273 4.0507 4.0507 4.0508 4.0508 5.0614 5.0614 5.0617 5.0617 11.8175 11.8175 11.8241 11.8241 12.0249 12.0249 12.0251 12.0251 13.2102 13.2102 k = 0.1210 0.1955 0.5378 ( 4360 PWs) bands (ev): -13.6638 -13.6638 -13.6637 -13.6637 -9.9408 -9.9408 -9.9399 -9.9399 -9.1530 -9.1530 -9.1514 -9.1514 -3.6865 -3.6865 -3.6858 -3.6858 -0.4197 -0.4197 -0.4195 -0.4195 -0.3036 -0.3036 -0.2985 -0.2985 0.6337 0.6337 0.6440 0.6440 1.8242 1.8242 1.8282 1.8282 2.3908 2.3908 2.3992 2.3992 3.3344 3.3344 3.3423 3.3423 4.0475 4.0475 4.0477 4.0477 5.0890 5.0890 5.0894 5.0894 11.7694 11.7694 11.7755 11.7755 12.0172 12.0172 12.0174 12.0174 13.1660 13.1660 k = 0.1124 0.1816 0.5378 ( 4360 PWs) bands (ev): -13.6664 -13.6664 -13.6663 -13.6663 -9.9577 -9.9577 -9.9568 -9.9568 -9.1145 -9.1145 -9.1130 -9.1130 -3.7378 -3.7378 -3.7372 -3.7372 -0.4471 -0.4471 -0.4469 -0.4469 -0.2755 -0.2755 -0.2705 -0.2705 0.6402 0.6402 0.6500 0.6500 1.8377 1.8377 1.8414 1.8414 2.4023 2.4023 2.4104 2.4104 3.3508 3.3508 3.3584 3.3584 4.0449 4.0449 4.0451 4.0451 5.1149 5.1149 5.1154 5.1154 11.7235 11.7235 11.7291 11.7291 12.0114 12.0114 12.0116 12.0116 13.1227 13.1227 k = 0.1037 0.1676 0.5378 ( 4356 PWs) bands (ev): -13.6689 -13.6689 -13.6688 -13.6688 -9.9734 -9.9734 -9.9725 -9.9725 -9.0776 -9.0776 -9.0762 -9.0762 -3.7869 -3.7869 -3.7863 -3.7863 -0.4726 -0.4726 -0.4725 -0.4725 -0.2504 -0.2504 -0.2456 -0.2456 0.6471 0.6471 0.6565 0.6565 1.8506 1.8506 1.8540 1.8540 2.4126 2.4126 2.4203 2.4203 3.3681 3.3681 3.3754 3.3754 4.0427 4.0427 4.0429 4.0429 5.1392 5.1392 5.1397 5.1397 11.6801 11.6801 11.6853 11.6853 12.0073 12.0073 12.0075 12.0075 13.0813 13.0813 k = 0.0951 0.1536 0.5378 ( 4344 PWs) bands (ev): -13.6712 -13.6712 -13.6711 -13.6711 -9.9878 -9.9878 -9.9871 -9.9871 -9.0426 -9.0426 -9.0413 -9.0413 -3.8335 -3.8335 -3.8328 -3.8328 -0.4963 -0.4963 -0.4962 -0.4962 -0.2283 -0.2283 -0.2236 -0.2236 0.6544 0.6544 0.6633 0.6633 1.8627 1.8627 1.8658 1.8658 2.4216 2.4216 2.4287 2.4287 3.3861 3.3861 3.3930 3.3930 4.0410 4.0410 4.0412 4.0412 5.1617 5.1617 5.1623 5.1623 11.6394 11.6394 11.6442 11.6442 12.0046 12.0046 12.0048 12.0048 13.0427 13.0427 k = 0.0864 0.1397 0.5378 ( 4344 PWs) bands (ev): -13.6734 -13.6734 -13.6733 -13.6733 -10.0010 -10.0010 -10.0003 -10.0003 -9.0097 -9.0097 -9.0084 -9.0084 -3.8772 -3.8772 -3.8766 -3.8766 -0.5180 -0.5180 -0.5180 -0.5180 -0.2089 -0.2089 -0.2045 -0.2045 0.6618 0.6618 0.6701 0.6701 1.8741 1.8741 1.8770 1.8770 2.4293 2.4293 2.4359 2.4359 3.4043 3.4043 3.4108 3.4108 4.0396 4.0396 4.0398 4.0398 5.1825 5.1825 5.1831 5.1831 11.6016 11.6016 11.6060 11.6060 12.0031 12.0031 12.0033 12.0033 13.0073 13.0073 k = 0.0778 0.1257 0.5378 ( 4344 PWs) bands (ev): -13.6754 -13.6754 -13.6753 -13.6753 -10.0130 -10.0130 -10.0124 -10.0124 -8.9791 -8.9791 -8.9779 -8.9779 -3.9178 -3.9178 -3.9172 -3.9172 -0.5378 -0.5378 -0.5378 -0.5378 -0.1921 -0.1921 -0.1880 -0.1880 0.6693 0.6693 0.6768 0.6768 1.8847 1.8847 1.8872 1.8872 2.4357 2.4357 2.4418 2.4418 3.4225 3.4225 3.4285 3.4285 4.0385 4.0385 4.0387 4.0387 5.2014 5.2014 5.2020 5.2020 11.5669 11.5669 11.5708 11.5708 12.0024 12.0024 12.0026 12.0026 12.9758 12.9758 k = 0.0692 0.1117 0.5378 ( 4344 PWs) bands (ev): -13.6772 -13.6772 -13.6771 -13.6771 -10.0238 -10.0238 -10.0232 -10.0232 -8.9510 -8.9510 -8.9499 -8.9499 -3.9550 -3.9550 -3.9544 -3.9544 -0.5555 -0.5555 -0.5555 -0.5555 -0.1776 -0.1776 -0.1739 -0.1739 0.6765 0.6765 0.6834 0.6834 1.8944 1.8944 1.8966 1.8966 2.4411 2.4411 2.4466 2.4466 3.4402 3.4402 3.4456 3.4456 4.0377 4.0377 4.0379 4.0379 5.2183 5.2183 5.2189 5.2189 11.5354 11.5354 11.5389 11.5389 12.0024 12.0024 12.0026 12.0026 12.9483 12.9483 k = 0.0605 0.0978 0.5378 ( 4352 PWs) bands (ev): -13.6788 -13.6788 -13.6787 -13.6787 -10.0333 -10.0333 -10.0328 -10.0328 -8.9256 -8.9256 -8.9247 -8.9247 -3.9885 -3.9885 -3.9880 -3.9880 -0.5712 -0.5712 -0.5712 -0.5712 -0.1653 -0.1653 -0.1620 -0.1620 0.6834 0.6834 0.6895 0.6895 1.9031 1.9031 1.9050 1.9050 2.4455 2.4455 2.4504 2.4504 3.4570 3.4570 3.4618 3.4618 4.0371 4.0371 4.0372 4.0372 5.2334 5.2334 5.2340 5.2340 11.5073 11.5073 11.5104 11.5104 12.0027 12.0027 12.0029 12.0029 12.9249 12.9249 k = 0.0519 0.0838 0.5378 ( 4354 PWs) bands (ev): -13.6802 -13.6802 -13.6802 -13.6802 -10.0415 -10.0415 -10.0411 -10.0411 -8.9032 -8.9032 -8.9024 -8.9024 -4.0181 -4.0181 -4.0176 -4.0176 -0.5849 -0.5849 -0.5849 -0.5849 -0.1549 -0.1549 -0.1521 -0.1521 0.6898 0.6898 0.6951 0.6951 1.9107 1.9107 1.9124 1.9124 2.4490 2.4490 2.4532 2.4532 3.4725 3.4725 3.4767 3.4767 4.0366 4.0366 4.0368 4.0368 5.2465 5.2465 5.2470 5.2470 11.4828 11.4828 11.4854 11.4854 12.0032 12.0032 12.0034 12.0034 12.9057 12.9057 k = 0.0432 0.0698 0.5378 ( 4354 PWs) bands (ev): -13.6814 -13.6814 -13.6814 -13.6814 -10.0485 -10.0485 -10.0481 -10.0481 -8.8838 -8.8838 -8.8832 -8.8832 -4.0435 -4.0435 -4.0431 -4.0431 -0.5964 -0.5964 -0.5964 -0.5964 -0.1464 -0.1464 -0.1440 -0.1440 0.6956 0.6956 0.7001 0.7001 1.9173 1.9173 1.9187 1.9187 2.4518 2.4518 2.4553 2.4553 3.4863 3.4863 3.4899 3.4899 4.0363 4.0363 4.0365 4.0365 5.2576 5.2576 5.2581 5.2581 11.4618 11.4618 11.4640 11.4640 12.0038 12.0038 12.0039 12.0039 12.8903 12.8903 k = 0.0346 0.0559 0.5378 ( 4358 PWs) bands (ev): -13.6824 -13.6824 -13.6824 -13.6824 -10.0542 -10.0542 -10.0539 -10.0539 -8.8678 -8.8678 -8.8672 -8.8672 -4.0646 -4.0646 -4.0643 -4.0643 -0.6059 -0.6059 -0.6059 -0.6059 -0.1396 -0.1396 -0.1377 -0.1377 0.7006 0.7006 0.7042 0.7042 1.9228 1.9228 1.9239 1.9239 2.4540 2.4540 2.4568 2.4568 3.4982 3.4982 3.5011 3.5011 4.0361 4.0361 4.0362 4.0362 5.2667 5.2667 5.2671 5.2671 11.4446 11.4446 11.4463 11.4463 12.0042 12.0042 12.0043 12.0043 12.8786 12.8786 k = 0.0259 0.0419 0.5378 ( 4350 PWs) bands (ev): -13.6832 -13.6832 -13.6832 -13.6832 -10.0586 -10.0586 -10.0584 -10.0584 -8.8551 -8.8551 -8.8547 -8.8547 -4.0812 -4.0812 -4.0809 -4.0809 -0.6133 -0.6133 -0.6133 -0.6133 -0.1344 -0.1344 -0.1329 -0.1329 0.7047 0.7047 0.7074 0.7074 1.9271 1.9271 1.9279 1.9279 2.4556 2.4556 2.4578 2.4578 3.5079 3.5079 3.5101 3.5101 4.0360 4.0360 4.0361 4.0361 5.2739 5.2739 5.2742 5.2742 11.4312 11.4312 11.4325 11.4325 12.0046 12.0046 12.0046 12.0046 12.8701 12.8701 k = 0.0173 0.0279 0.5378 ( 4370 PWs) bands (ev): -13.6837 -13.6837 -13.6837 -13.6837 -10.0617 -10.0617 -10.0616 -10.0616 -8.8460 -8.8460 -8.8457 -8.8457 -4.0931 -4.0931 -4.0930 -4.0930 -0.6186 -0.6186 -0.6186 -0.6186 -0.1307 -0.1307 -0.1297 -0.1297 0.7078 0.7078 0.7096 0.7096 1.9303 1.9303 1.9308 1.9308 2.4568 2.4568 2.4583 2.4583 3.5150 3.5150 3.5165 3.5165 4.0359 4.0359 4.0360 4.0360 5.2790 5.2790 5.2792 5.2792 11.4216 11.4216 11.4225 11.4225 12.0048 12.0048 12.0048 12.0048 12.8643 12.8644 k = 0.0086 0.0140 0.5378 ( 4368 PWs) bands (ev): -13.6841 -13.6841 -13.6841 -13.6841 -10.0636 -10.0636 -10.0635 -10.0635 -8.8404 -8.8404 -8.8403 -8.8403 -4.1003 -4.1003 -4.1002 -4.1002 -0.6218 -0.6218 -0.6218 -0.6218 -0.1284 -0.1284 -0.1279 -0.1279 0.7099 0.7099 0.7108 0.7108 1.9322 1.9322 1.9325 1.9325 2.4577 2.4577 2.4584 2.4584 3.5195 3.5195 3.5203 3.5203 4.0359 4.0359 4.0359 4.0359 5.2821 5.2821 5.2822 5.2822 11.4159 11.4159 11.4163 11.4163 12.0049 12.0049 12.0049 12.0049 12.8611 12.8611 k = 0.0000 0.0000 0.5378 ( 4372 PWs) bands (ev): -13.6842 -13.6842 -13.6842 -13.6842 -10.0642 -10.0642 -10.0642 -10.0642 -8.8385 -8.8385 -8.8385 -8.8385 -4.1027 -4.1027 -4.1027 -4.1027 -0.6228 -0.6228 -0.6228 -0.6228 -0.1274 -0.1274 -0.1274 -0.1274 0.7109 0.7109 0.7109 0.7109 1.9330 1.9330 1.9330 1.9330 2.4582 2.4582 2.4582 2.4582 3.5213 3.5213 3.5213 3.5213 4.0359 4.0359 4.0359 4.0359 5.2831 5.2831 5.2831 5.2831 11.4142 11.4142 11.4142 11.4142 12.0049 12.0049 12.0049 12.0049 12.8600 12.8600 k = 0.0000 0.0000 0.5378 ( 4372 PWs) bands (ev): -13.6842 -13.6842 -13.6842 -13.6842 -10.0642 -10.0642 -10.0642 -10.0642 -8.8385 -8.8385 -8.8385 -8.8385 -4.1027 -4.1027 -4.1027 -4.1027 -0.6228 -0.6228 -0.6228 -0.6228 -0.1274 -0.1274 -0.1274 -0.1274 0.7109 0.7109 0.7109 0.7109 1.9330 1.9330 1.9330 1.9330 2.4582 2.4582 2.4582 2.4582 3.5213 3.5213 3.5213 3.5213 4.0359 4.0359 4.0359 4.0359 5.2831 5.2831 5.2831 5.2831 11.4142 11.4142 11.4142 11.4142 12.0049 12.0049 12.0049 12.0049 12.8600 12.8600 k = 0.0000 0.0000 0.5215 ( 4364 PWs) bands (ev): -13.6960 -13.6960 -13.6725 -13.6725 -10.1069 -10.1069 -10.0205 -10.0205 -8.8439 -8.8439 -8.8337 -8.8337 -4.1041 -4.1041 -4.0988 -4.0988 -0.6404 -0.6404 -0.6046 -0.6046 -0.2143 -0.2143 -0.0535 -0.0535 0.6993 0.6993 0.7351 0.7351 1.9069 1.9069 1.9545 1.9545 2.4549 2.4549 2.4632 2.4632 3.5101 3.5101 3.5324 3.5324 4.0106 4.0106 4.0597 4.0597 5.2640 5.2640 5.3011 5.3011 11.4093 11.4093 11.4289 11.4289 11.9998 11.9998 12.0087 12.0087 12.8207 12.8207 k = 0.0000 0.0000 0.5052 ( 4370 PWs) bands (ev): -13.7079 -13.7079 -13.6609 -13.6609 -10.1485 -10.1485 -9.9757 -9.9757 -8.8497 -8.8497 -8.8294 -8.8294 -4.1031 -4.1031 -4.0925 -4.0925 -0.6574 -0.6574 -0.5859 -0.5859 -0.3113 -0.3113 0.0053 0.0053 0.6979 0.6979 0.7739 0.7739 1.8765 1.8765 1.9715 1.9715 2.4531 2.4531 2.4703 2.4703 3.4987 3.4987 3.5434 3.5434 3.9841 3.9841 4.0822 4.0822 5.2439 5.2439 5.3180 5.3180 11.4144 11.4144 11.4533 11.4533 11.9942 11.9942 12.0100 12.0100 12.7815 12.7815 k = 0.0000 0.0000 0.4889 ( 4366 PWs) bands (ev): -13.7199 -13.7199 -13.6495 -13.6495 -10.1889 -10.1889 -9.9300 -9.9300 -8.8561 -8.8561 -8.8257 -8.8257 -4.0998 -4.0998 -4.0837 -4.0837 -0.6735 -0.6735 -0.5668 -0.5668 -0.4156 -0.4156 0.0483 0.0483 0.7043 0.7043 0.8274 0.8274 1.8419 1.8419 1.9839 1.9839 2.4526 2.4526 2.4796 2.4796 3.4873 3.4873 3.5543 3.5543 3.9564 3.9564 4.1032 4.1032 5.2228 5.2228 5.3337 5.3337 11.4294 11.4294 11.4874 11.4874 11.9889 11.9889 12.0072 12.0072 12.7447 12.7447 k = 0.0000 0.0000 0.4726 ( 4354 PWs) bands (ev): -13.7319 -13.7319 -13.6382 -13.6382 -10.2281 -10.2281 -9.8834 -9.8834 -8.8630 -8.8630 -8.8225 -8.8225 -4.0942 -4.0942 -4.0724 -4.0724 -0.6889 -0.6889 -0.5476 -0.5476 -0.5249 -0.5249 0.0765 0.0765 0.7167 0.7167 0.8941 0.8941 1.8032 1.8032 1.9916 1.9916 2.4533 2.4533 2.4916 2.4916 3.4759 3.4759 3.5650 3.5650 3.9276 3.9276 4.1229 4.1229 5.2008 5.2008 5.3482 5.3482 11.4541 11.4541 11.5309 11.5309 11.9843 11.9843 11.9986 11.9986 12.7130 12.7130 k = 0.0000 0.0000 0.4563 ( 4348 PWs) bands (ev): -13.7439 -13.7439 -13.6272 -13.6272 -10.2661 -10.2661 -9.8360 -9.8360 -8.8702 -8.8702 -8.8199 -8.8199 -4.0865 -4.0865 -4.0587 -4.0587 -0.7033 -0.7033 -0.6385 -0.6385 -0.5274 -0.5274 0.0924 0.0924 0.7337 0.7337 0.9711 0.9711 1.7605 1.7605 1.9944 1.9944 2.4548 2.4548 2.5065 2.5065 3.4645 3.4645 3.5755 3.5755 3.8981 3.8981 4.1414 4.1414 5.1779 5.1779 5.3616 5.3616 11.4883 11.4883 11.5834 11.5834 11.9805 11.9805 11.9828 11.9828 12.6887 12.6887 k = 0.0000 0.0000 0.4400 ( 4348 PWs) bands (ev): -13.7558 -13.7558 -13.6164 -13.6164 -10.3028 -10.3028 -9.7878 -9.7878 -8.8779 -8.8779 -8.8179 -8.8179 -4.0767 -4.0767 -4.0425 -4.0425 -0.7538 -0.7538 -0.7167 -0.7167 -0.5075 -0.5075 0.0988 0.0988 0.7540 0.7540 1.0548 1.0548 1.7141 1.7141 1.9925 1.9925 2.4570 2.4570 2.5248 2.5248 3.4530 3.4530 3.5858 3.5858 3.8681 3.8681 4.1588 4.1588 5.1543 5.1543 5.3739 5.3739 11.5318 11.5318 11.6446 11.6446 11.9580 11.9580 11.9782 11.9782 12.6736 12.6736 k = 0.0000 0.0000 0.4237 ( 4340 PWs) bands (ev): -13.7677 -13.7677 -13.6059 -13.6059 -10.3382 -10.3382 -9.7391 -9.7391 -8.8859 -8.8859 -8.8164 -8.8164 -4.0650 -4.0650 -4.0240 -4.0240 -0.8702 -0.8702 -0.7290 -0.7290 -0.4874 -0.4874 0.0984 0.0984 0.7771 0.7771 1.1420 1.1420 1.6642 1.6642 1.9857 1.9857 2.4597 2.4597 2.5468 2.5468 3.4416 3.4416 3.5960 3.5960 3.8377 3.8377 4.1751 4.1751 5.1300 5.1300 5.3851 5.3851 11.5843 11.5843 11.7141 11.7141 11.9243 11.9243 11.9771 11.9771 12.6688 12.6688 k = 0.0000 0.0000 0.4074 ( 4344 PWs) bands (ev): -13.7795 -13.7795 -13.5957 -13.5957 -10.3723 -10.3723 -9.6898 -9.6898 -8.8941 -8.8941 -8.8154 -8.8154 -4.0515 -4.0515 -4.0032 -4.0032 -0.9871 -0.9871 -0.7402 -0.7402 -0.4672 -0.4672 0.0932 0.0932 0.8022 0.8022 1.2301 1.2301 1.6110 1.6110 1.9741 1.9741 2.4629 2.4629 2.5731 2.5731 3.4302 3.4302 3.6059 3.6059 3.8075 3.8075 4.1905 4.1905 5.1052 5.1052 5.3953 5.3953 11.6455 11.6455 11.7914 11.7914 11.8817 11.8817 11.9774 11.9774 12.6742 12.6742 k = 0.0000 0.0000 0.3911 ( 4350 PWs) bands (ev): -13.7911 -13.7911 -13.5857 -13.5857 -10.4051 -10.4051 -9.6402 -9.6402 -8.9027 -8.9027 -8.8149 -8.8149 -4.0363 -4.0363 -3.9802 -3.9802 -1.1037 -1.1037 -0.7501 -0.7501 -0.4470 -0.4470 0.0846 0.0846 0.8290 0.8290 1.3170 1.3170 1.5547 1.5547 1.9578 1.9578 2.4662 2.4662 2.6040 2.6040 3.4190 3.4190 3.6157 3.6157 3.7776 3.7776 4.2052 4.2052 5.0800 5.0800 5.4044 5.4044 11.7148 11.7148 11.8315 11.8315 11.8758 11.8758 11.9790 11.9790 12.6890 12.6890 k = 0.0000 0.0000 0.3748 ( 4356 PWs) bands (ev): -13.8026 -13.8026 -13.5760 -13.5760 -10.4366 -10.4366 -9.5902 -9.5902 -8.9114 -8.9114 -8.8149 -8.8149 -4.0196 -4.0196 -3.9552 -3.9552 -1.2195 -1.2195 -0.7586 -0.7586 -0.4269 -0.4269 0.0737 0.0737 0.8571 0.8571 1.4008 1.4008 1.4957 1.4957 1.9368 1.9368 2.4695 2.4695 2.6399 2.6399 3.4079 3.4079 3.6252 3.6252 3.7484 3.7484 4.2193 4.2193 5.0545 5.0545 5.4126 5.4126 11.7749 11.7749 11.7922 11.7922 11.9665 11.9665 11.9820 11.9820 12.7121 12.7121 k = 0.0000 0.0000 0.3585 ( 4340 PWs) bands (ev): -13.8139 -13.8139 -13.5667 -13.5667 -10.4667 -10.4667 -9.5401 -9.5401 -8.9203 -8.9203 -8.8153 -8.8153 -4.0016 -4.0016 -3.9282 -3.9282 -1.3339 -1.3339 -0.7658 -0.7658 -0.4069 -0.4069 0.0613 0.0613 0.8863 0.8863 1.4341 1.4341 1.4802 1.4802 1.9113 1.9113 2.4727 2.4727 2.6810 2.6810 3.3969 3.3969 3.6345 3.6345 3.7201 3.7201 4.2328 4.2328 5.0289 5.0289 5.4200 5.4200 11.7138 11.7138 11.8764 11.8764 11.9858 11.9858 12.0631 12.0631 12.7422 12.7422 k = 0.0000 0.0000 0.3422 ( 4340 PWs) bands (ev): -13.8249 -13.8249 -13.5577 -13.5577 -10.4954 -10.4954 -9.4901 -9.4901 -8.9292 -8.9292 -8.8161 -8.8161 -3.9825 -3.9825 -3.8994 -3.8994 -1.4467 -1.4467 -0.7716 -0.7716 -0.3870 -0.3870 0.0479 0.0479 0.9163 0.9163 1.3704 1.3704 1.5543 1.5543 1.8814 1.8814 2.4757 2.4757 2.7276 2.7276 3.3862 3.3862 3.6434 3.6434 3.6932 3.6932 4.2459 4.2459 5.0032 5.0032 5.4267 5.4267 11.6492 11.6492 11.9676 11.9676 11.9910 11.9910 12.1640 12.1640 12.7781 12.7781 k = 0.0000 0.0000 0.3259 ( 4334 PWs) bands (ev): -13.8357 -13.8357 -13.5491 -13.5491 -10.5228 -10.5228 -9.4401 -9.4401 -8.9382 -8.9382 -8.8172 -8.8172 -3.9624 -3.9624 -3.8690 -3.8690 -1.5573 -1.5573 -0.7759 -0.7759 -0.3672 -0.3672 0.0341 0.0341 0.9469 0.9469 1.3048 1.3048 1.6223 1.6223 1.8475 1.8475 2.4783 2.4783 2.7795 2.7795 3.3758 3.3758 3.6509 3.6509 3.6690 3.6690 4.2587 4.2587 4.9776 4.9776 5.4326 5.4326 11.5822 11.5822 11.9969 11.9969 12.0651 12.0651 12.2677 12.2677 12.8186 12.8186 k = 0.0000 0.0000 0.3096 ( 4334 PWs) bands (ev): -13.8462 -13.8462 -13.5408 -13.5408 -10.5489 -10.5489 -9.3905 -9.3905 -8.9471 -8.9471 -8.8187 -8.8187 -3.9415 -3.9415 -3.8371 -3.8371 -1.6655 -1.6655 -0.7786 -0.7786 -0.3477 -0.3477 0.0199 0.0199 0.9779 0.9779 1.2378 1.2378 1.6839 1.6839 1.8099 1.8099 2.4804 2.4804 2.8362 2.8362 3.3657 3.3657 3.6406 3.6406 3.6638 3.6638 4.2713 4.2713 4.9522 4.9522 5.4381 5.4381 11.5137 11.5137 12.0037 12.0037 12.1682 12.1682 12.3716 12.3716 12.8629 12.8629 k = 0.0000 0.0000 0.2933 ( 4338 PWs) bands (ev): -13.8564 -13.8564 -13.5329 -13.5329 -10.5736 -10.5736 -9.3415 -9.3415 -8.9560 -8.9560 -8.8205 -8.8205 -3.9201 -3.9201 -3.8041 -3.8041 -1.7708 -1.7708 -0.7798 -0.7798 -0.3285 -0.3285 0.0058 0.0058 1.0092 1.0092 1.1697 1.1697 1.7392 1.7392 1.7689 1.7689 2.4819 2.4819 2.8972 2.8972 3.3561 3.3561 3.6189 3.6189 3.6715 3.6715 4.2835 4.2835 4.9272 4.9272 5.4430 5.4430 11.4446 11.4446 12.0109 12.0109 12.2764 12.2764 12.4708 12.4708 12.8968 12.8968 k = 0.0000 0.0000 0.2770 ( 4346 PWs) bands (ev): -13.8662 -13.8662 -13.5253 -13.5253 -10.5969 -10.5969 -9.2931 -9.2931 -8.9647 -8.9647 -8.8224 -8.8224 -3.8983 -3.8983 -3.7700 -3.7700 -1.8730 -1.8730 -0.7795 -0.7795 -0.3095 -0.3095 -0.0081 -0.0081 1.0406 1.0406 1.1009 1.1009 1.7248 1.7248 1.7885 1.7885 2.4827 2.4827 2.9614 2.9614 3.3471 3.3471 3.5982 3.5982 3.6797 3.6797 4.2956 4.2956 4.9027 4.9027 5.4476 5.4476 11.3755 11.3755 12.0184 12.0184 12.3890 12.3890 12.5561 12.5561 12.8831 12.8831 k = 0.0000 0.0000 0.2607 ( 4350 PWs) bands (ev): -13.8757 -13.8757 -13.5182 -13.5182 -10.6188 -10.6188 -9.2456 -9.2456 -8.9733 -8.9733 -8.8246 -8.8246 -3.8763 -3.8763 -3.7352 -3.7352 -1.9717 -1.9717 -0.7776 -0.7776 -0.2907 -0.2907 -0.0216 -0.0216 1.0314 1.0314 1.0722 1.0722 1.6784 1.6784 1.8319 1.8319 2.4827 2.4827 3.0277 3.0277 3.3389 3.3389 3.5790 3.5790 3.6879 3.6879 4.3074 4.3074 4.8788 4.8788 5.4519 5.4519 11.3070 11.3070 12.0261 12.0261 12.5055 12.5055 12.6108 12.6108 12.8702 12.8702 k = 0.0000 0.0000 0.2444 ( 4348 PWs) bands (ev): -13.8847 -13.8847 -13.5115 -13.5115 -10.6394 -10.6394 -9.1993 -9.1993 -8.9816 -8.9816 -8.8269 -8.8269 -3.8544 -3.8544 -3.7000 -3.7000 -2.0666 -2.0666 -0.7742 -0.7742 -0.2722 -0.2722 -0.0348 -0.0348 0.9624 0.9624 1.1032 1.1032 1.6300 1.6300 1.8702 1.8702 2.4819 2.4819 3.0946 3.0946 3.3322 3.3322 3.5615 3.5615 3.6959 3.6959 4.3190 4.3190 4.8557 4.8557 5.4561 5.4561 11.2396 11.2396 12.0336 12.0336 12.6188 12.6188 12.6273 12.6273 12.8591 12.8591 k = 0.0000 0.0000 0.2281 ( 4342 PWs) bands (ev): -13.8933 -13.8933 -13.5052 -13.5052 -10.6586 -10.6586 -9.1543 -9.1543 -8.9896 -8.9896 -8.8293 -8.8293 -3.8327 -3.8327 -3.6646 -3.6646 -2.1574 -2.1574 -0.7693 -0.7693 -0.2540 -0.2540 -0.0474 -0.0474 0.8937 0.8937 1.1339 1.1339 1.5802 1.5802 1.9039 1.9039 2.4803 2.4803 3.1594 3.1594 3.3282 3.3282 3.5457 3.5457 3.7037 3.7037 4.3304 4.3304 4.8335 4.8335 5.4602 5.4602 11.1738 11.1738 12.0409 12.0409 12.5929 12.5929 12.7475 12.7475 12.8501 12.8501 k = 0.0000 0.0000 0.2118 ( 4346 PWs) bands (ev): -13.9014 -13.9014 -13.4992 -13.4992 -10.6765 -10.6765 -9.1110 -9.1110 -8.9973 -8.9973 -8.8317 -8.8317 -3.8115 -3.8115 -3.6294 -3.6294 -2.2437 -2.2437 -0.7632 -0.7632 -0.2359 -0.2359 -0.0593 -0.0593 0.8259 0.8259 1.1640 1.1640 1.5297 1.5297 1.9336 1.9336 2.4779 2.4779 3.2170 3.2170 3.3314 3.3314 3.5314 3.5314 3.7113 3.7113 4.3414 4.3414 4.8123 4.8123 5.4643 5.4643 11.1100 11.1100 12.0477 12.0477 12.5451 12.5451 12.8433 12.8433 12.8715 12.8715 k = 0.0000 0.0000 0.1956 ( 4354 PWs) bands (ev): -13.9090 -13.9090 -13.4938 -13.4938 -10.6930 -10.6930 -9.0694 -9.0694 -9.0046 -9.0046 -8.8342 -8.8342 -3.7909 -3.7909 -3.5946 -3.5946 -2.3252 -2.3252 -0.7557 -0.7557 -0.2181 -0.2181 -0.0706 -0.0706 0.7593 0.7593 1.1934 1.1934 1.4790 1.4790 1.9596 1.9596 2.4747 2.4747 3.2546 3.2546 3.3534 3.3534 3.5187 3.5187 3.7187 3.7187 4.3520 4.3520 4.7922 4.7922 5.4685 5.4685 11.0486 11.0486 12.0540 12.0540 12.4895 12.4895 12.8390 12.8390 12.9963 12.9963 k = 0.0000 0.0000 0.1793 ( 4338 PWs) bands (ev): -13.9161 -13.9161 -13.4887 -13.4887 -10.7082 -10.7082 -9.0300 -9.0300 -9.0114 -9.0114 -8.8366 -8.8366 -3.7712 -3.7712 -3.5607 -3.5607 -2.4017 -2.4017 -0.7473 -0.7473 -0.2004 -0.2004 -0.0811 -0.0811 0.6945 0.6945 1.2217 1.2217 1.4288 1.4288 1.9825 1.9825 2.4708 2.4708 3.2668 3.2668 3.3987 3.3987 3.5075 3.5075 3.7257 3.7257 4.3622 4.3622 4.7733 4.7733 5.4727 5.4727 10.9900 10.9900 12.0596 12.0596 12.4323 12.4323 12.8369 12.8369 13.1212 13.1212 k = 0.0000 0.0000 0.1630 ( 4326 PWs) bands (ev): -13.9227 -13.9227 -13.4840 -13.4840 -10.7221 -10.7221 -9.0180 -9.0180 -8.9927 -8.9927 -8.8389 -8.8389 -3.7526 -3.7526 -3.5279 -3.5279 -2.4728 -2.4728 -0.7380 -0.7380 -0.1828 -0.1828 -0.0908 -0.0908 0.6318 0.6318 1.2488 1.2488 1.3798 1.3798 2.0025 2.0025 2.4663 2.4663 3.2674 3.2674 3.4525 3.4525 3.4981 3.4981 3.7324 3.7324 4.3719 4.3719 4.7557 4.7557 5.4770 5.4770 10.9348 10.9348 12.0644 12.0644 12.3766 12.3766 12.8370 12.8370 13.2453 13.2453 k = 0.0000 0.0000 0.1467 ( 4326 PWs) bands (ev): -13.9287 -13.9287 -13.4798 -13.4798 -10.7346 -10.7346 -9.0239 -9.0239 -8.9582 -8.9582 -8.8412 -8.8412 -3.7351 -3.7351 -3.4968 -3.4968 -2.5382 -2.5382 -0.7280 -0.7280 -0.1653 -0.1653 -0.0997 -0.0997 0.5717 0.5717 1.2744 1.2744 1.3326 1.3326 2.0201 2.0201 2.4614 2.4614 3.2644 3.2644 3.4866 3.4866 3.5096 3.5096 3.7387 3.7387 4.3810 4.3810 4.7395 4.7395 5.4814 5.4814 10.8832 10.8832 12.0685 12.0685 12.3240 12.3240 12.8390 12.8390 13.3619 13.3619 k = 0.0000 0.0000 0.1304 ( 4326 PWs) bands (ev): -13.9341 -13.9341 -13.4761 -13.4761 -10.7457 -10.7457 -9.0292 -9.0292 -8.9265 -8.9265 -8.8432 -8.8432 -3.7190 -3.7190 -3.4676 -3.4676 -2.5977 -2.5977 -0.7178 -0.7178 -0.1479 -0.1479 -0.1078 -0.1078 0.5145 0.5145 1.2878 1.2878 1.2985 1.2985 2.0354 2.0354 2.4562 2.4562 3.2604 3.2604 3.4804 3.4804 3.5595 3.5595 3.7446 3.7446 4.3894 4.3894 4.7247 4.7247 5.4857 5.4857 10.8358 10.8358 12.0719 12.0719 12.2755 12.2755 12.8427 12.8427 13.4029 13.4029 k = 0.0000 0.0000 0.1141 ( 4330 PWs) bands (ev): -13.9389 -13.9389 -13.4727 -13.4727 -10.7556 -10.7556 -9.0341 -9.0341 -8.8978 -8.8978 -8.8452 -8.8452 -3.7045 -3.7045 -3.4407 -3.4407 -2.6509 -2.6509 -0.7075 -0.7075 -0.1305 -0.1305 -0.1148 -0.1148 0.4608 0.4608 1.2463 1.2463 1.3204 1.3204 2.0485 2.0485 2.4508 2.4508 3.2563 3.2563 3.4741 3.4741 3.6062 3.6062 3.7500 3.7500 4.3970 4.3970 4.7115 4.7115 5.4900 5.4900 10.7928 10.7928 12.0746 12.0746 12.2317 12.2317 12.8476 12.8476 13.4388 13.4388 k = 0.0000 0.0000 0.0978 ( 4334 PWs) bands (ev): -13.9431 -13.9431 -13.4698 -13.4698 -10.7641 -10.7641 -9.0383 -9.0383 -8.8725 -8.8725 -8.8468 -8.8468 -3.6916 -3.6916 -3.4165 -3.4165 -2.6975 -2.6975 -0.6976 -0.6976 -0.1215 -0.1215 -0.1129 -0.1129 0.4110 0.4110 1.2086 1.2086 1.3401 1.3401 2.0598 2.0598 2.4456 2.4456 3.2524 3.2524 3.4687 3.4687 3.6477 3.6477 3.7549 3.7549 4.4038 4.4038 4.7000 4.7000 5.4941 5.4941 10.7547 10.7547 12.0767 12.0767 12.1932 12.1932 12.8535 12.8535 13.4698 13.4698 k = 0.0000 0.0000 0.0815 ( 4336 PWs) bands (ev): -13.9467 -13.9467 -13.4674 -13.4674 -10.7713 -10.7713 -9.0419 -9.0419 -8.8514 -8.8514 -8.8477 -8.8477 -3.6804 -3.6804 -3.3953 -3.3953 -2.7375 -2.7375 -0.6883 -0.6883 -0.1266 -0.1266 -0.0961 -0.0961 0.3658 0.3658 1.1754 1.1754 1.3574 1.3574 2.0691 2.0691 2.4406 2.4406 3.2489 3.2489 3.4643 3.4643 3.6833 3.6833 3.7593 3.7593 4.4097 4.4097 4.6901 4.6901 5.4979 5.4979 10.7218 10.7218 12.0783 12.0783 12.1601 12.1601 12.8596 12.8596 13.4956 13.4956 k = 0.0000 0.0000 0.0652 ( 4344 PWs) bands (ev): -13.9496 -13.9496 -13.4654 -13.4654 -10.7772 -10.7772 -9.0449 -9.0449 -8.8498 -8.8498 -8.8323 -8.8323 -3.6712 -3.6712 -3.3775 -3.3775 -2.7705 -2.7705 -0.6801 -0.6801 -0.1310 -0.1310 -0.0800 -0.0800 0.3259 0.3259 1.1473 1.1473 1.3719 1.3719 2.0767 2.0767 2.4362 2.4362 3.2460 3.2460 3.4607 3.4607 3.7127 3.7127 3.7632 3.7632 4.4146 4.4146 4.6819 4.6819 5.5013 5.5013 10.6944 10.6944 12.0794 12.0794 12.1328 12.1328 12.8656 12.8656 13.5163 13.5163 k = 0.0000 0.0000 0.0489 ( 4334 PWs) bands (ev): -13.9519 -13.9519 -13.4638 -13.4638 -10.7818 -10.7818 -9.0473 -9.0473 -8.8507 -8.8507 -8.8181 -8.8181 -3.6639 -3.6639 -3.3633 -3.3633 -2.7963 -2.7963 -0.6734 -0.6734 -0.1344 -0.1344 -0.0652 -0.0652 0.2924 0.2924 1.1248 1.1248 1.3835 1.3835 2.0825 2.0825 2.4326 2.4326 3.2436 3.2436 3.4579 3.4579 3.7353 3.7353 3.7669 3.7669 4.4185 4.4185 4.6755 4.6755 5.5041 5.5041 10.6727 10.6727 12.0802 12.0802 12.1113 12.1113 12.8709 12.8709 13.5320 13.5320 k = 0.0000 0.0000 0.0326 ( 4334 PWs) bands (ev): -13.9536 -13.9536 -13.4627 -13.4627 -10.7851 -10.7851 -9.0489 -9.0489 -8.8514 -8.8514 -8.8078 -8.8078 -3.6587 -3.6587 -3.3531 -3.3531 -2.8149 -2.8149 -0.6683 -0.6683 -0.1368 -0.1368 -0.0530 -0.0530 0.2665 0.2665 1.1084 1.1084 1.3919 1.3919 2.0867 2.0867 2.4298 2.4298 3.2419 3.2419 3.4560 3.4560 3.7503 3.7503 3.7707 3.7707 4.4213 4.4213 4.6709 4.6709 5.5062 5.5062 10.6571 10.6571 12.0808 12.0808 12.0959 12.0959 12.8751 12.8751 13.5429 13.5429 k = 0.0000 0.0000 0.0163 ( 4330 PWs) bands (ev): -13.9546 -13.9546 -13.4620 -13.4620 -10.7870 -10.7870 -9.0500 -9.0500 -8.8519 -8.8519 -8.8016 -8.8016 -3.6555 -3.6555 -3.3468 -3.3468 -2.8261 -2.8261 -0.6651 -0.6651 -0.1383 -0.1383 -0.0447 -0.0447 0.2499 0.2499 1.0984 1.0984 1.3970 1.3970 2.0891 2.0891 2.4281 2.4281 3.2409 3.2409 3.4549 3.4549 3.7579 3.7579 3.7746 3.7746 4.4230 4.4230 4.6682 4.6682 5.5075 5.5075 10.6477 10.6477 12.0810 12.0810 12.0867 12.0867 12.8778 12.8778 13.5493 13.5493 k = 0.0000 0.0000 0.0000 ( 4325 PWs) bands (ev): -13.9549 -13.9549 -13.4618 -13.4618 -10.7877 -10.7877 -9.0503 -9.0503 -8.8520 -8.8520 -8.7995 -8.7995 -3.6545 -3.6545 -3.3447 -3.3447 -2.8298 -2.8298 -0.6641 -0.6641 -0.1388 -0.1388 -0.0417 -0.0417 0.2442 0.2442 1.0950 1.0950 1.3987 1.3987 2.0900 2.0900 2.4275 2.4275 3.2406 3.2406 3.4545 3.4545 3.7599 3.7599 3.7764 3.7764 4.4235 4.4235 4.6672 4.6672 5.5079 5.5079 10.6445 10.6445 12.0811 12.0811 12.0836 12.0836 12.8787 12.8787 13.5515 13.5515 k = 0.0000 0.0000 0.0000 ( 4325 PWs) bands (ev): -13.9549 -13.9549 -13.4618 -13.4618 -10.7877 -10.7877 -9.0503 -9.0503 -8.8520 -8.8520 -8.7995 -8.7995 -3.6545 -3.6545 -3.3447 -3.3447 -2.8298 -2.8298 -0.6641 -0.6641 -0.1388 -0.1388 -0.0417 -0.0417 0.2442 0.2442 1.0950 1.0950 1.3987 1.3987 2.0900 2.0900 2.4275 2.4275 3.2406 3.2406 3.4545 3.4545 3.7599 3.7599 3.7764 3.7764 4.4235 4.4235 4.6672 4.6672 5.5079 5.5079 10.6445 10.6445 12.0811 12.0811 12.0836 12.0836 12.8787 12.8787 13.5515 13.5515 k =-0.0139 0.0086 0.0000 ( 4325 PWs) bands (ev): -13.9545 -13.9545 -13.4618 -13.4618 -10.7891 -10.7890 -9.0502 -9.0501 -8.8530 -8.8523 -8.7992 -8.7983 -3.6522 -3.6520 -3.3468 -3.3466 -2.8268 -2.8267 -0.6652 -0.6648 -0.1371 -0.1371 -0.0435 -0.0434 0.2431 0.2431 1.0937 1.0939 1.4000 1.4001 2.0915 2.0915 2.4273 2.4275 3.2395 3.2397 3.4517 3.4518 3.7591 3.7591 3.7756 3.7756 4.4237 4.4239 4.6685 4.6686 5.5073 5.5073 10.6479 10.6479 12.0329 12.0337 12.1312 12.1315 12.8787 12.8787 13.5494 13.5498 k =-0.0278 0.0172 0.0000 ( 4333 PWs) bands (ev): -13.9531 -13.9531 -13.4619 -13.4619 -10.7932 -10.7932 -9.0497 -9.0496 -8.8552 -8.8539 -8.7974 -8.7958 -3.6452 -3.6447 -3.3527 -3.3523 -2.8180 -2.8176 -0.6682 -0.6675 -0.1321 -0.1320 -0.0488 -0.0485 0.2400 0.2400 1.0900 1.0903 1.4040 1.4042 2.0960 2.0962 2.4269 2.4272 3.2364 3.2370 3.4434 3.4437 3.7566 3.7567 3.7732 3.7732 4.4243 4.4247 4.6722 4.6724 5.5055 5.5055 10.6580 10.6580 11.9840 11.9853 12.1795 12.1802 12.8788 12.8789 13.5436 13.5444 k =-0.0417 0.0258 0.0000 ( 4331 PWs) bands (ev): -13.9508 -13.9508 -13.4620 -13.4620 -10.8000 -10.8000 -9.0490 -9.0487 -8.8582 -8.8565 -8.7945 -8.7923 -3.6334 -3.6328 -3.3620 -3.3614 -2.8036 -2.8030 -0.6730 -0.6720 -0.1238 -0.1236 -0.0576 -0.0571 0.2347 0.2347 1.0839 1.0842 1.4107 1.4109 2.1036 2.1039 2.4263 2.4267 3.2313 3.2322 3.4300 3.4304 3.7525 3.7527 3.7693 3.7693 4.4254 4.4259 4.6783 4.6786 5.5026 5.5026 10.6747 10.6747 11.9358 11.9376 12.2269 12.2281 12.8789 12.8791 13.5345 13.5357 k =-0.0556 0.0344 0.0000 ( 4333 PWs) bands (ev): -13.9476 -13.9476 -13.4622 -13.4621 -10.8095 -10.8094 -9.0479 -9.0476 -8.8618 -8.8597 -8.7907 -8.7880 -3.6170 -3.6162 -3.3741 -3.3732 -2.7843 -2.7836 -0.6795 -0.6783 -0.1122 -0.1119 -0.0697 -0.0691 0.2274 0.2274 1.0754 1.0758 1.4201 1.4203 2.1141 2.1145 2.4255 2.4261 3.2240 3.2251 3.4116 3.4123 3.7468 3.7470 3.7639 3.7640 4.4270 4.4277 4.6867 4.6871 5.4986 5.4986 10.6978 10.6979 11.8889 11.8912 12.2731 12.2748 12.8790 12.8792 13.5224 13.5239 k =-0.0694 0.0430 0.0000 ( 4333 PWs) bands (ev): -13.9435 -13.9435 -13.4624 -13.4623 -10.8215 -10.8214 -9.0466 -9.0463 -8.8656 -8.8634 -8.7864 -8.7834 -3.5960 -3.5950 -3.3883 -3.3872 -2.7608 -2.7599 -0.6877 -0.6861 -0.0976 -0.0972 -0.0849 -0.0842 0.2180 0.2180 1.0646 1.0651 1.4320 1.4322 2.1274 2.1278 2.4245 2.4252 3.2141 3.2156 3.3889 3.3898 3.7393 3.7396 3.7573 3.7573 4.4293 4.4301 4.6971 4.6975 5.4934 5.4934 10.7273 10.7274 11.8436 11.8463 12.3178 12.3200 12.8791 12.8794 13.5080 13.5097 k =-0.0833 0.0516 0.0000 ( 4339 PWs) bands (ev): -13.9386 -13.9385 -13.4627 -13.4625 -10.8360 -10.8359 -9.0451 -9.0447 -8.8695 -8.8672 -8.7817 -8.7785 -3.5705 -3.5692 -3.4040 -3.4027 -2.7338 -2.7327 -0.6973 -0.6954 -0.1035 -0.1025 -0.0797 -0.0795 0.2068 0.2068 1.0516 1.0522 1.4464 1.4467 2.1433 2.1438 2.4232 2.4241 3.2011 3.2030 3.3624 3.3636 3.7302 3.7305 3.7495 3.7495 4.4321 4.4330 4.7093 4.7096 5.4872 5.4873 10.7629 10.7630 11.8003 11.8034 12.3607 12.3633 12.8791 12.8795 13.4916 13.4935 k =-0.0972 0.0602 0.0000 ( 4339 PWs) bands (ev): -13.9327 -13.9327 -13.4629 -13.4627 -10.8528 -10.8526 -9.0434 -9.0429 -8.8734 -8.8709 -8.7770 -8.7735 -3.5405 -3.5390 -3.4206 -3.4192 -2.7038 -2.7025 -0.7082 -0.7061 -0.1249 -0.1236 -0.0593 -0.0590 0.1936 0.1937 1.0364 1.0370 1.4633 1.4636 2.1617 2.1622 2.4218 2.4229 3.1844 3.1867 3.3334 3.3348 3.7193 3.7196 3.7405 3.7406 4.4355 4.4364 4.7229 4.7232 5.4801 5.4801 10.8042 10.8044 11.7594 11.7630 12.4015 12.4044 12.8791 12.8795 13.4738 13.4758 k =-0.1111 0.0688 0.0000 ( 4333 PWs) bands (ev): -13.9261 -13.9261 -13.4633 -13.4630 -10.8717 -10.8716 -9.0415 -9.0409 -8.8771 -8.8746 -8.7722 -8.7685 -3.5062 -3.5045 -3.4376 -3.4361 -2.6714 -2.6699 -0.7203 -0.7180 -0.1489 -0.1474 -0.0360 -0.0357 0.1787 0.1788 1.0190 1.0197 1.4825 1.4828 2.1823 2.1829 2.4203 2.4214 3.1631 3.1657 3.3030 3.3046 3.7068 3.7071 3.7305 3.7307 4.4394 4.4404 4.7377 4.7380 5.4720 5.4721 10.8511 10.8513 11.7213 11.7252 12.4399 12.4431 12.8791 12.8795 13.4548 13.4570 k =-0.1250 0.0774 0.0000 ( 4341 PWs) bands (ev): -13.9187 -13.9186 -13.4636 -13.4634 -10.8926 -10.8925 -9.0395 -9.0389 -8.8805 -8.8780 -8.7675 -8.7637 -3.4676 -3.4657 -3.4547 -3.4530 -2.6371 -2.6352 -0.7336 -0.7309 -0.1755 -0.1738 -0.0102 -0.0099 0.1621 0.1622 0.9996 1.0004 1.5040 1.5043 2.2049 2.2056 2.4186 2.4199 3.1360 3.1388 3.2728 3.2745 3.6927 3.6930 3.7196 3.7198 4.4439 4.4449 4.7535 4.7537 5.4631 5.4632 10.9032 10.9034 11.6862 11.6905 12.4756 12.4791 12.8792 12.8795 13.4351 13.4373 k =-0.1389 0.0860 0.0000 ( 4335 PWs) bands (ev): -13.9105 -13.9104 -13.4640 -13.4637 -10.9154 -10.9153 -9.0373 -9.0367 -8.8837 -8.8812 -8.7630 -8.7591 -3.4716 -3.4698 -3.4249 -3.4229 -2.6010 -2.5990 -0.7478 -0.7449 -0.2044 -0.2023 0.0181 0.0184 0.1439 0.1441 0.9781 0.9789 1.5277 1.5280 2.2294 2.2301 2.4168 2.4182 3.1025 3.1054 3.2439 3.2456 3.6770 3.6773 3.7077 3.7080 4.4488 4.4497 4.7699 4.7701 5.4535 5.4536 10.9600 10.9603 11.6546 11.6591 12.5083 12.5120 12.8795 12.8799 13.4149 13.4171 k =-0.1528 0.0946 0.0000 ( 4326 PWs) bands (ev): -13.9016 -13.9015 -13.4644 -13.4641 -10.9398 -10.9396 -9.0352 -9.0345 -8.8866 -8.8841 -8.7587 -8.7547 -3.4879 -3.4861 -3.3783 -3.3761 -2.5637 -2.5613 -0.7629 -0.7597 -0.2353 -0.2330 0.0487 0.0490 0.1242 0.1244 0.9546 0.9555 1.5534 1.5536 2.2555 2.2562 2.4149 2.4165 3.0626 3.0655 3.2168 3.2182 3.6599 3.6603 3.6950 3.6954 4.4540 4.4550 4.7868 4.7869 5.4433 5.4434 11.0214 11.0217 11.6265 11.6314 12.5376 12.5414 12.8805 12.8807 13.3944 13.3965 k =-0.1667 0.1032 0.0000 ( 4338 PWs) bands (ev): -13.8920 -13.8920 -13.4648 -13.4645 -10.9656 -10.9655 -9.0330 -9.0323 -8.8890 -8.8865 -8.7548 -8.7506 -3.5036 -3.5017 -3.3279 -3.3255 -2.5252 -2.5227 -0.7788 -0.7754 -0.2680 -0.2654 0.0815 0.0819 0.1032 0.1036 0.9291 0.9300 1.5811 1.5813 2.2829 2.2837 2.4130 2.4147 3.0173 3.0199 3.1909 3.1920 3.6414 3.6418 3.6815 3.6819 4.4595 4.4604 4.8040 4.8040 5.4326 5.4327 11.0868 11.0871 11.6023 11.6074 12.5630 12.5669 12.8824 12.8825 13.3736 13.3757 k =-0.1806 0.1118 0.0000 ( 4338 PWs) bands (ev): -13.8818 -13.8818 -13.4653 -13.4650 -10.9927 -10.9926 -9.0308 -9.0301 -8.8911 -8.8886 -8.7511 -8.7469 -3.5185 -3.5165 -3.2739 -3.2713 -2.4859 -2.4831 -0.7955 -0.7919 -0.3023 -0.2993 0.0808 0.0811 0.1168 0.1171 0.9016 0.9026 1.6106 1.6107 2.3115 2.3123 2.4111 2.4130 2.9676 2.9701 3.1656 3.1663 3.6215 3.6220 3.6673 3.6678 4.4651 4.4660 4.8210 4.8211 5.4214 5.4215 11.1558 11.1562 11.5822 11.5875 12.5843 12.5880 12.8857 12.8857 13.3528 13.3548 k =-0.1944 0.1203 0.0000 ( 4334 PWs) bands (ev): -13.8711 -13.8710 -13.4658 -13.4654 -11.0208 -11.0207 -9.0287 -9.0280 -8.8928 -8.8903 -8.7478 -8.7436 -3.5325 -3.5304 -3.2165 -3.2136 -2.4460 -2.4430 -0.8129 -0.8090 -0.3378 -0.3345 0.0574 0.0578 0.1538 0.1541 0.8722 0.8732 1.6418 1.6418 2.3409 2.3418 2.4092 2.4112 2.9148 2.9171 3.1401 3.1405 3.6004 3.6008 3.6524 3.6529 4.4707 4.4715 4.8380 4.8382 5.4100 5.4101 11.2282 11.2286 11.5662 11.5717 12.6008 12.6044 12.8907 12.8908 13.3319 13.3338 k =-0.2083 0.1289 0.0000 ( 4330 PWs) bands (ev): -13.8598 -13.8597 -13.4662 -13.4659 -11.0498 -11.0497 -9.0267 -9.0259 -8.8941 -8.8916 -8.7450 -8.7407 -3.5455 -3.5433 -3.1557 -3.1527 -2.4057 -2.4024 -0.8310 -0.8269 -0.3743 -0.3706 0.0330 0.0335 0.1927 0.1930 0.8408 0.8419 1.6745 1.6746 2.3708 2.3717 2.4075 2.4096 2.8599 2.8620 3.1142 3.1143 3.5779 3.5785 3.6369 3.6375 4.4763 4.4770 4.8547 4.8550 5.3984 5.3985 11.3034 11.3039 11.5545 11.5601 12.6124 12.6157 12.8977 12.8981 13.3110 13.3128 k =-0.2222 0.1375 0.0000 ( 4326 PWs) bands (ev): -13.8481 -13.8480 -13.4667 -13.4664 -11.0794 -11.0792 -9.0247 -9.0239 -8.8949 -8.8924 -8.7425 -8.7382 -3.5574 -3.5552 -3.0920 -3.0887 -2.3650 -2.3615 -0.8498 -0.8454 -0.4115 -0.4075 0.0077 0.0083 0.2334 0.2337 0.8075 0.8086 1.7085 1.7087 2.4005 2.4008 2.4071 2.4086 2.8036 2.8056 3.0873 3.0876 3.5543 3.5548 3.6209 3.6215 4.4817 4.4824 4.8710 4.8714 5.3867 5.3868 11.3811 11.3817 11.5471 11.5528 12.6190 12.6219 12.9069 12.9075 13.2901 13.2918 k =-0.2361 0.1461 0.0000 ( 4322 PWs) bands (ev): -13.8360 -13.8359 -13.4672 -13.4669 -11.1093 -11.1092 -9.0228 -9.0221 -8.8953 -8.8927 -8.7406 -8.7362 -3.5682 -3.5660 -3.0253 -3.0219 -2.3243 -2.3205 -0.8693 -0.8646 -0.4493 -0.4449 -0.0183 -0.0176 0.2757 0.2760 0.7724 0.7735 1.7438 1.7442 2.4041 2.4067 2.4311 2.4324 2.7469 2.7488 3.0598 3.0603 3.5294 3.5300 3.6043 3.6050 4.4868 4.4875 4.8869 4.8873 5.3751 5.3752 11.4609 11.4615 11.5440 11.5498 12.6207 12.6234 12.9181 12.9189 13.2692 13.2708 k =-0.2500 0.1547 0.0000 ( 4320 PWs) bands (ev): -13.8236 -13.8235 -13.4677 -13.4674 -11.1395 -11.1394 -9.0210 -9.0203 -8.8952 -8.8927 -8.7390 -8.7346 -3.5779 -3.5758 -2.9560 -2.9524 -2.2836 -2.2796 -0.8895 -0.8846 -0.4872 -0.4825 -0.0448 -0.0440 0.3195 0.3197 0.7355 0.7366 1.7801 1.7806 2.4031 2.4060 2.4601 2.4616 2.6903 2.6922 3.0319 3.0327 3.5033 3.5040 3.5874 3.5881 4.4916 4.4922 4.9021 4.9026 5.3636 5.3637 11.5423 11.5430 11.5452 11.5511 12.6181 12.6204 12.9309 12.9319 13.2484 13.2499 k =-0.2639 0.1633 0.0000 ( 4320 PWs) bands (ev): -13.8110 -13.8110 -13.4683 -13.4679 -11.1697 -11.1696 -9.0194 -9.0187 -8.8947 -8.8922 -8.7379 -8.7336 -3.5866 -3.5845 -2.8843 -2.8805 -2.2432 -2.2389 -0.9105 -0.9053 -0.5251 -0.5200 -0.0718 -0.0709 0.3644 0.3646 0.6969 0.6981 1.8172 1.8179 2.4026 2.4056 2.4875 2.4893 2.6346 2.6366 3.0042 3.0052 3.4760 3.4768 3.5700 3.5708 4.4960 4.4965 4.9167 4.9173 5.3523 5.3524 11.5507 11.5565 11.6250 11.6258 12.6116 12.6136 12.9447 12.9459 13.2276 13.2290 k =-0.2778 0.1719 0.0000 ( 4318 PWs) bands (ev): -13.7983 -13.7983 -13.4688 -13.4684 -11.1996 -11.1995 -9.0179 -9.0172 -8.8938 -8.8913 -8.7373 -8.7330 -3.5942 -3.5921 -2.8103 -2.8063 -2.2031 -2.1986 -0.9323 -0.9269 -0.5626 -0.5572 -0.0990 -0.0980 0.4101 0.4104 0.6571 0.6583 1.8549 1.8558 2.4026 2.4059 2.5111 2.5136 2.5813 2.5838 2.9774 2.9787 3.4475 3.4484 3.5522 3.5530 4.4999 4.5003 4.9306 4.9312 5.3413 5.3414 11.5602 11.5661 11.7085 11.7094 12.6017 12.6034 12.9591 12.9603 13.2070 13.2083 k =-0.2917 0.1805 0.0000 ( 4316 PWs) bands (ev): -13.7856 -13.7855 -13.4692 -13.4689 -11.2290 -11.2290 -9.0165 -9.0158 -8.8925 -8.8900 -8.7372 -8.7328 -3.6008 -3.5988 -2.7344 -2.7303 -2.1636 -2.1589 -0.9551 -0.9495 -0.5996 -0.5938 -0.1263 -0.1252 0.4560 0.4562 0.6167 0.6179 1.8928 1.8939 2.4033 2.4069 2.5132 2.5156 2.5484 2.5508 2.9527 2.9543 3.4180 3.4190 3.5341 3.5349 4.5033 4.5037 4.9438 4.9444 5.3307 5.3309 11.5737 11.5795 11.7925 11.7934 12.5889 12.5904 12.9737 12.9748 13.1866 13.1877 k =-0.3056 0.1891 0.0000 ( 4318 PWs) bands (ev): -13.7730 -13.7729 -13.4697 -13.4694 -11.2579 -11.2578 -9.0152 -9.0146 -8.8908 -8.8883 -8.7374 -8.7332 -3.6065 -3.6045 -2.6568 -2.6525 -2.1248 -2.1200 -0.9790 -0.9731 -0.6357 -0.6297 -0.1535 -0.1523 0.4987 0.4990 0.5789 0.5801 1.9307 1.9321 2.4051 2.4089 2.4700 2.4702 2.5600 2.5601 2.9319 2.9336 3.3874 3.3884 3.5156 3.5164 4.5062 4.5066 4.9561 4.9568 5.3206 5.3208 11.5910 11.5967 11.8765 11.8774 12.5735 12.5747 12.9880 12.9891 13.1666 13.1676 k =-0.3194 0.1977 0.0000 ( 4316 PWs) bands (ev): -13.7605 -13.7604 -13.4702 -13.4699 -11.2858 -11.2858 -9.0141 -9.0135 -8.8888 -8.8863 -8.7381 -8.7339 -3.6112 -3.6093 -2.5778 -2.5732 -2.0870 -2.0820 -1.0042 -0.9981 -0.6707 -0.6645 -0.1804 -0.1791 0.5101 0.5111 0.5721 0.5726 1.9680 1.9697 2.4080 2.4121 2.4217 2.4219 2.5699 2.5705 2.9167 2.9186 3.3557 3.3569 3.4967 3.4975 4.5086 4.5089 4.9677 4.9684 5.3111 5.3112 11.6118 11.6175 11.9600 11.9610 12.5558 12.5568 13.0017 13.0027 13.1470 13.1479 k =-0.3333 0.2063 0.0000 ( 4316 PWs) bands (ev): -13.7484 -13.7483 -13.4706 -13.4703 -11.3127 -11.3127 -9.0131 -9.0125 -8.8865 -8.8840 -8.7392 -8.7351 -3.6151 -3.6132 -2.4976 -2.4928 -2.0504 -2.0453 -1.0309 -1.0246 -0.7044 -0.6980 -0.2068 -0.2054 0.4749 0.4762 0.6115 0.6117 2.0044 2.0064 2.3747 2.3750 2.4127 2.4171 2.5724 2.5732 2.9092 2.9112 3.3232 3.3244 3.4774 3.4783 4.5105 4.5108 4.9785 4.9792 5.3020 5.3021 11.6360 11.6415 12.0426 12.0436 12.5360 12.5368 13.0147 13.0155 13.1280 13.1289 k =-0.3472 0.2149 0.0000 ( 4318 PWs) bands (ev): -13.7366 -13.7365 -13.4711 -13.4708 -11.3384 -11.3383 -9.0122 -9.0116 -8.8839 -8.8815 -8.7406 -8.7366 -3.6182 -3.6165 -2.4165 -2.4115 -2.0150 -2.0099 -1.0593 -1.0527 -0.7365 -0.7300 -0.2324 -0.2310 0.4325 0.4339 0.6580 0.6581 2.0392 2.0415 2.3304 2.3307 2.4193 2.4239 2.5664 2.5672 2.9103 2.9122 3.2898 3.2912 3.4577 3.4586 4.5120 4.5123 4.9884 4.9891 5.2936 5.2937 11.6631 11.6684 12.1237 12.1248 12.5142 12.5148 13.0267 13.0273 13.1100 13.1108 k =-0.3611 0.2235 0.0000 ( 4322 PWs) bands (ev): -13.7253 -13.7253 -13.4714 -13.4712 -11.3625 -11.3625 -9.0114 -9.0109 -8.8811 -8.8787 -8.7423 -8.7384 -3.6207 -3.6191 -2.3349 -2.3297 -1.9813 -1.9762 -1.0898 -1.0829 -0.7668 -0.7602 -0.2571 -0.2556 0.3893 0.3907 0.7051 0.7052 2.0719 2.0744 2.2887 2.2890 2.4282 2.4331 2.5526 2.5532 2.9194 2.9211 3.2558 3.2572 3.4376 3.4385 4.5131 4.5133 4.9975 4.9982 5.2859 5.2860 11.6928 11.6980 12.2029 12.2040 12.4905 12.4909 13.0375 13.0378 13.0933 13.0941 k =-0.3750 0.2321 0.0000 ( 4330 PWs) bands (ev): -13.7147 -13.7147 -13.4718 -13.4716 -11.3850 -11.3850 -9.0107 -9.0103 -8.8781 -8.8758 -8.7442 -8.7405 -3.6225 -3.6210 -2.2530 -2.2476 -1.9494 -1.9444 -1.1224 -1.1154 -0.7951 -0.7885 -0.2806 -0.2791 0.3469 0.3483 0.7515 0.7517 2.1017 2.1044 2.2499 2.2501 2.4400 2.4450 2.5328 2.5333 2.9349 2.9365 3.2213 3.2228 3.4171 3.4180 4.5138 4.5140 5.0058 5.0064 5.2788 5.2789 11.7249 11.7298 12.2794 12.2806 12.4651 12.4653 13.0464 13.0467 13.0786 13.0797 k =-0.3889 0.2407 0.0000 ( 4320 PWs) bands (ev): -13.7048 -13.7048 -13.4722 -13.4719 -11.4058 -11.4057 -9.0101 -9.0097 -8.8750 -8.8728 -8.7463 -8.7428 -3.6239 -3.6225 -2.1712 -2.1656 -1.9197 -1.9148 -1.1577 -1.1505 -0.8211 -0.8147 -0.3026 -0.3011 0.3061 0.3075 0.7965 0.7967 2.1282 2.1310 2.2140 2.2142 2.4549 2.4600 2.5094 2.5097 2.9549 2.9564 3.1866 3.1882 3.3962 3.3971 4.5142 4.5144 5.0132 5.0137 5.2724 5.2725 11.7588 11.7635 12.3525 12.3537 12.4381 12.4381 13.0504 13.0514 13.0689 13.0706 k =-0.4028 0.2493 0.0000 ( 4326 PWs) bands (ev): -13.6958 -13.6958 -13.4725 -13.4723 -11.4245 -11.4244 -9.0096 -9.0092 -8.8719 -8.8698 -8.7485 -8.7453 -3.6248 -3.6236 -2.0899 -2.0840 -1.8923 -1.8877 -1.1959 -1.1886 -0.8446 -0.8385 -0.3228 -0.3214 0.2678 0.2691 0.8394 0.8395 2.1507 2.1536 2.1813 2.1815 2.4727 2.4780 2.4844 2.4848 2.9778 2.9791 3.1521 3.1537 3.3750 3.3759 4.5144 4.5145 5.0197 5.0202 5.2668 5.2669 11.7941 11.7985 12.4093 12.4094 12.4218 12.4227 13.0452 13.0461 13.0701 13.0715 k =-0.4167 0.2579 0.0000 ( 4314 PWs) bands (ev): -13.6878 -13.6877 -13.4727 -13.4725 -11.4410 -11.4410 -9.0092 -9.0089 -8.8689 -8.8669 -8.7507 -8.7478 -3.6254 -3.6244 -2.0094 -2.0033 -1.8677 -1.8634 -1.2373 -1.2299 -0.8653 -0.8597 -0.3411 -0.3398 0.2327 0.2339 0.8792 0.8794 2.1516 2.1518 2.1698 2.1721 2.4595 2.4596 2.4939 2.4985 3.0023 3.0035 3.1182 3.1199 3.3536 3.3545 4.5144 4.5145 5.0254 5.0259 5.2619 5.2620 11.8302 11.8343 12.3798 12.3802 12.4851 12.4862 13.0370 13.0377 13.0757 13.0766 k =-0.4306 0.2665 0.0000 ( 4318 PWs) bands (ev): -13.6807 -13.6807 -13.4729 -13.4728 -11.4553 -11.4553 -9.0088 -9.0086 -8.8660 -8.8642 -8.7527 -8.7502 -3.6258 -3.6249 -1.9301 -1.9239 -1.8461 -1.8422 -1.2822 -1.2747 -0.8832 -0.8782 -0.3570 -0.3559 0.2016 0.2027 0.9153 0.9154 2.1257 2.1258 2.1845 2.1867 2.4363 2.4364 2.5165 2.5208 3.0273 3.0284 3.0857 3.0874 3.3322 3.3331 4.5142 4.5143 5.0303 5.0306 5.2577 5.2578 11.8663 11.8700 12.3496 12.3502 12.5421 12.5432 13.0302 13.0308 13.0812 13.0818 k =-0.4444 0.2751 0.0000 ( 4324 PWs) bands (ev): -13.6749 -13.6749 -13.4731 -13.4730 -11.4672 -11.4671 -9.0085 -9.0083 -8.8634 -8.8619 -8.7546 -8.7524 -3.6260 -3.6252 -1.8526 -1.8462 -1.8277 -1.8245 -1.3307 -1.3231 -0.8980 -0.8937 -0.3705 -0.3695 0.1751 0.1760 0.9467 0.9468 2.1035 2.1035 2.1958 2.1977 2.4158 2.4160 2.5396 2.5434 3.0511 3.0525 3.0560 3.0580 3.3112 3.3120 4.5141 4.5141 5.0342 5.0345 5.2543 5.2544 11.9015 11.9048 12.3196 12.3204 12.5913 12.5923 13.0257 13.0262 13.0859 13.0863 k =-0.4583 0.2837 0.0000 ( 4320 PWs) bands (ev): -13.6702 -13.6702 -13.4733 -13.4732 -11.4765 -11.4765 -9.0083 -9.0082 -8.8611 -8.8599 -8.7561 -8.7544 -3.6260 -3.6255 -1.8130 -1.8105 -1.7772 -1.7705 -1.3828 -1.3754 -0.9095 -0.9062 -0.3812 -0.3804 0.1538 0.1545 0.9724 0.9725 2.0855 2.0855 2.2041 2.2055 2.3990 2.3992 2.5615 2.5645 3.0290 3.0303 3.0752 3.0760 3.2913 3.2920 4.5139 4.5139 5.0373 5.0375 5.2516 5.2517 11.9342 11.9369 12.2913 12.2922 12.6312 12.6321 13.0236 13.0240 13.0897 13.0900 k =-0.4722 0.2923 0.0000 ( 4320 PWs) bands (ev): -13.6669 -13.6669 -13.4734 -13.4733 -11.4832 -11.4832 -9.0082 -9.0080 -8.8594 -8.8585 -8.7572 -8.7560 -3.6260 -3.6256 -1.8022 -1.8004 -1.7045 -1.6977 -1.4385 -1.4312 -0.9177 -0.9154 -0.3889 -0.3884 0.1383 0.1388 0.9916 0.9916 2.0722 2.0722 2.2098 2.2108 2.3866 2.3867 2.5799 2.5821 3.0079 3.0089 3.0953 3.0959 3.2737 3.2743 4.5137 4.5137 5.0395 5.0397 5.2497 5.2498 11.9622 11.9643 12.2667 12.2675 12.6607 12.6613 13.0234 13.0236 13.0924 13.0926 k =-0.4861 0.3009 0.0000 ( 4320 PWs) bands (ev): -13.6648 -13.6648 -13.4734 -13.4734 -11.4873 -11.4873 -9.0080 -9.0080 -8.8582 -8.8577 -8.7578 -8.7572 -3.6259 -3.6257 -1.7954 -1.7945 -1.6358 -1.6291 -1.4967 -1.4897 -0.9224 -0.9212 -0.3935 -0.3933 0.1289 0.1291 1.0034 1.0034 2.0640 2.0640 2.2132 2.2137 2.3790 2.3790 2.5926 2.5937 2.9942 2.9947 3.1098 3.1101 3.2610 3.2613 4.5136 4.5136 5.0409 5.0410 5.2486 5.2486 11.9820 11.9832 12.2494 12.2499 12.6787 12.6790 13.0240 13.0241 13.0940 13.0941 k =-0.5000 0.3095 0.0000 ( 4318 PWs) bands (ev): -13.6641 -13.6641 -13.4734 -13.4734 -11.4887 -11.4887 -9.0080 -9.0080 -8.8576 -8.8576 -8.7578 -8.7578 -3.6258 -3.6258 -1.7928 -1.7928 -1.5844 -1.5844 -1.5378 -1.5378 -0.9235 -0.9235 -0.3950 -0.3950 0.1258 0.1258 1.0074 1.0074 2.0612 2.0612 2.2144 2.2144 2.3764 2.3764 2.5974 2.5974 2.9896 2.9896 3.1154 3.1154 3.2562 3.2562 4.5136 4.5136 5.0414 5.0414 5.2482 5.2482 11.9897 11.9897 12.2431 12.2431 12.6848 12.6848 13.0244 13.0244 13.0946 13.0946 k =-0.5000 0.3095 0.0000 ( 4318 PWs) bands (ev): -13.6641 -13.6641 -13.4734 -13.4734 -11.4887 -11.4887 -9.0080 -9.0080 -8.8576 -8.8576 -8.7578 -8.7578 -3.6258 -3.6258 -1.7928 -1.7928 -1.5844 -1.5844 -1.5378 -1.5378 -0.9235 -0.9235 -0.3950 -0.3950 0.1258 0.1258 1.0074 1.0074 2.0612 2.0612 2.2144 2.2144 2.3764 2.3764 2.5974 2.5974 2.9896 2.9896 3.1154 3.1154 3.2562 3.2562 4.5136 4.5136 5.0414 5.0414 5.2482 5.2482 11.9897 11.9897 12.2431 12.2431 12.6848 12.6848 13.0244 13.0244 13.0946 13.0946 k =-0.4914 0.3233-0.0000 ( 4326 PWs) bands (ev): -13.6643 -13.6643 -13.4735 -13.4735 -11.4877 -11.4877 -9.0161 -9.0145 -8.8572 -8.8569 -8.7530 -8.7510 -3.6256 -3.6255 -1.7972 -1.7967 -1.5763 -1.5759 -1.5384 -1.5383 -0.9246 -0.9243 -0.4046 -0.4018 0.1315 0.1346 1.0069 1.0072 2.0590 2.0604 2.2128 2.2172 2.3770 2.3802 2.5953 2.5962 2.9905 2.9908 3.1135 3.1144 3.2561 3.2562 4.5144 4.5148 5.0381 5.0388 5.2469 5.2477 11.9909 11.9910 12.2440 12.2441 12.6887 12.6893 12.9908 13.0055 13.1164 13.1312 k =-0.4829 0.3372-0.0000 ( 4326 PWs) bands (ev): -13.6646 -13.6646 -13.4736 -13.4736 -11.4848 -11.4848 -9.0369 -9.0342 -8.8557 -8.8551 -8.7382 -8.7346 -3.6247 -3.6246 -1.8080 -1.8070 -1.5539 -1.5532 -1.5396 -1.5395 -0.9274 -0.9270 -0.4292 -0.4240 0.1508 0.1564 1.0056 1.0063 2.0540 2.0565 2.2126 2.2207 2.3821 2.3881 2.5899 2.5916 2.9937 2.9942 3.1087 3.1107 3.2559 3.2561 4.5172 4.5180 5.0291 5.0305 5.2438 5.2452 11.9945 11.9948 12.2467 12.2468 12.7008 12.7022 12.9468 12.9634 13.1676 13.1843 k =-0.4743 0.3510-0.0000 ( 4326 PWs) bands (ev): -13.6652 -13.6652 -13.4739 -13.4739 -11.4801 -11.4801 -9.0667 -9.0633 -8.8530 -8.8521 -8.7171 -8.7124 -3.6233 -3.6231 -1.8216 -1.8202 -1.5440 -1.5438 -1.5184 -1.5176 -0.9321 -0.9314 -0.4655 -0.4586 0.1805 0.1882 1.0035 1.0046 2.0471 2.0503 2.2135 2.2243 2.3916 2.3998 2.5811 2.5836 2.9990 2.9998 3.1012 3.1041 3.2556 3.2559 4.5221 4.5233 5.0146 5.0166 5.2387 5.2408 12.0005 12.0008 12.2513 12.2514 12.7212 12.7230 12.9038 12.9207 13.2253 13.2423 k =-0.4657 0.3648-0.0000 ( 4322 PWs) bands (ev): -13.6660 -13.6660 -13.4743 -13.4743 -11.4734 -11.4734 -9.1025 -9.0987 -8.8493 -8.8481 -8.6926 -8.6872 -3.6214 -3.6211 -1.8350 -1.8331 -1.5478 -1.5476 -1.4766 -1.4753 -0.9384 -0.9375 -0.5103 -0.5023 0.2176 0.2266 1.0006 1.0020 2.0389 2.0424 2.2151 2.2273 2.4054 2.4149 2.5689 2.5722 3.0065 3.0076 3.0910 3.0949 3.2552 3.2556 4.5290 4.5306 4.9949 4.9974 5.2317 5.2343 12.0089 12.0091 12.2576 12.2577 12.7495 12.7514 12.8636 12.8808 13.2867 13.3037 k =-0.4572 0.3787-0.0000 ( 4314 PWs) bands (ev): -13.6670 -13.6670 -13.4748 -13.4748 -11.4648 -11.4648 -9.1422 -9.1384 -8.8445 -8.8430 -8.6671 -8.6611 -3.6190 -3.6186 -1.8464 -1.8442 -1.5531 -1.5529 -1.4284 -1.4267 -0.9465 -0.9453 -0.5611 -0.5523 0.2592 0.2693 0.9968 0.9986 2.0301 2.0336 2.2170 2.2296 2.4230 2.4331 2.5533 2.5574 3.0162 3.0176 3.0783 3.0831 3.2548 3.2553 4.5378 4.5398 4.9706 4.9734 5.2226 5.2256 12.0194 12.0195 12.2656 12.2658 12.7851 12.7856 12.8272 12.8459 13.3509 13.3677 k =-0.4486 0.3925-0.0000 ( 4312 PWs) bands (ev): -13.6683 -13.6683 -13.4754 -13.4754 -11.4544 -11.4543 -9.1847 -9.1809 -8.8386 -8.8368 -8.6416 -8.6352 -3.6161 -3.6157 -1.8549 -1.8523 -1.5595 -1.5594 -1.3751 -1.3730 -0.9561 -0.9547 -0.6161 -0.6068 0.3035 0.3143 0.9920 0.9941 2.0213 2.0246 2.2188 2.2311 2.4437 2.4538 2.5341 2.5391 3.0280 3.0297 3.0630 3.0688 3.2544 3.2551 4.5485 4.5509 4.9419 4.9450 5.2115 5.2148 12.0317 12.0320 12.2753 12.2756 12.7922 12.7999 12.8303 12.8416 13.4175 13.4341 k =-0.4400 0.4064-0.0000 ( 4320 PWs) bands (ev): -13.6699 -13.6698 -13.4760 -13.4760 -11.4420 -11.4419 -9.2292 -9.2254 -8.8316 -8.8296 -8.6169 -8.6102 -3.6127 -3.6123 -1.8599 -1.8569 -1.5672 -1.5670 -1.3175 -1.3150 -0.9672 -0.9655 -0.6737 -0.6642 0.3492 0.3604 0.9861 0.9885 2.0130 2.0161 2.2205 2.2320 2.4670 2.4767 2.5115 2.5173 3.0418 3.0440 3.0456 3.0523 3.2541 3.2550 4.5611 4.5638 4.9093 4.9127 5.1983 5.2018 12.0453 12.0462 12.2866 12.2870 12.7637 12.7750 12.8800 12.8872 13.4861 13.5022 k =-0.4315 0.4202-0.0000 ( 4324 PWs) bands (ev): -13.6717 -13.6717 -13.4767 -13.4767 -11.4278 -11.4277 -9.2751 -9.2714 -8.8236 -8.8213 -8.5937 -8.5867 -3.6091 -3.6086 -1.8610 -1.8577 -1.5760 -1.5758 -1.2562 -1.2533 -0.9796 -0.9776 -0.7332 -0.7235 0.3952 0.4068 0.9790 0.9817 2.0056 2.0083 2.2220 2.2324 2.4853 2.4889 2.4952 2.5012 3.0259 3.0333 3.0579 3.0608 3.2539 3.2551 4.5754 4.5785 4.8734 4.8769 5.1831 5.1868 12.0601 12.0618 12.2995 12.2999 12.7393 12.7503 12.9365 12.9433 13.5005 13.5026 k =-0.4229 0.4341-0.0000 ( 4338 PWs) bands (ev): -13.6738 -13.6738 -13.4775 -13.4775 -11.4116 -11.4116 -9.3221 -9.3186 -8.8146 -8.8120 -8.5720 -8.5648 -3.6051 -3.6045 -1.8582 -1.8546 -1.5860 -1.5857 -1.1918 -1.1884 -0.9932 -0.9910 -0.7936 -0.7839 0.4411 0.4530 0.9706 0.9736 1.9992 2.0016 2.2233 2.2324 2.4555 2.4623 2.5193 2.5270 3.0044 3.0127 3.0759 3.0796 3.2540 3.2556 4.5914 4.5948 4.8345 4.8380 5.1661 5.1699 12.0755 12.0781 12.3138 12.3142 12.7198 12.7298 12.9989 13.0057 13.4764 13.4790 k =-0.4143 0.4479-0.0000 ( 4338 PWs) bands (ev): -13.6762 -13.6762 -13.4783 -13.4783 -11.3937 -11.3936 -9.3699 -9.3665 -8.8047 -8.8018 -8.5523 -8.5448 -3.6009 -3.6003 -1.8514 -1.8475 -1.5970 -1.5967 -1.1249 -1.1209 -1.0079 -1.0054 -0.8540 -0.8445 0.4864 0.4984 0.9607 0.9640 1.9943 1.9963 2.2244 2.2323 2.4221 2.4295 2.5469 2.5536 2.9812 2.9903 3.0959 3.1005 3.2545 3.2566 4.6091 4.6128 4.7930 4.7966 5.1474 5.1512 12.0908 12.0946 12.3294 12.3298 12.7059 12.7145 13.0667 13.0736 13.4416 13.4444 k =-0.4057 0.4617-0.0000 ( 4332 PWs) bands (ev): -13.6790 -13.6789 -13.4790 -13.4790 -11.3738 -11.3737 -9.4182 -9.4149 -8.7938 -8.7906 -8.5345 -8.5268 -3.5966 -3.5960 -1.8407 -1.8365 -1.6092 -1.6089 -1.0578 -1.0527 -1.0234 -1.0206 -0.9121 -0.9032 0.5308 0.5430 0.9493 0.9528 1.9910 1.9926 2.2255 2.2321 2.3850 2.3930 2.5750 2.5807 2.9566 2.9664 3.1175 3.1234 3.2557 3.2586 4.6282 4.6322 4.7494 4.7530 5.1271 5.1309 12.1055 12.1106 12.3462 12.3467 12.6981 12.7051 13.1393 13.1462 13.3982 13.4011 k =-0.3972 0.4756-0.0000 ( 4322 PWs) bands (ev): -13.6820 -13.6819 -13.4798 -13.4798 -11.3521 -11.3520 -9.4669 -9.4638 -8.7819 -8.7785 -8.5187 -8.5110 -3.5923 -3.5916 -1.8263 -1.8219 -1.6226 -1.6222 -1.0398 -1.0366 -1.0125 -1.0031 -0.9454 -0.9406 0.5741 0.5864 0.9361 0.9399 1.9894 1.9908 2.2266 2.2320 2.3443 2.3528 2.6033 2.6078 2.9308 2.9412 3.1404 3.1481 3.2579 3.2620 4.6487 4.6530 4.7041 4.7077 5.1055 5.1093 12.1187 12.1253 12.3640 12.3646 12.6971 12.7024 13.2160 13.2231 13.3489 13.3519 k =-0.3886 0.4894-0.0000 ( 4324 PWs) bands (ev): -13.6854 -13.6853 -13.4806 -13.4806 -11.3286 -11.3285 -9.5157 -9.5128 -8.7693 -8.7656 -8.5051 -8.4972 -3.5881 -3.5873 -1.8084 -1.8038 -1.6370 -1.6366 -1.0574 -1.0530 -1.0498 -1.0399 -0.8925 -0.8887 0.6161 0.6285 0.9212 0.9251 1.9897 1.9908 2.2278 2.2320 2.3000 2.3089 2.6313 2.6347 2.9040 2.9149 3.1639 3.1740 3.2617 3.2676 4.6574 4.6606 4.6709 4.6751 5.0827 5.0864 12.1299 12.1381 12.3827 12.3833 12.7034 12.7068 13.2951 13.2952 13.3002 13.3042 k =-0.3800 0.5033-0.0000 ( 4324 PWs) bands (ev): -13.6891 -13.6890 -13.4813 -13.4813 -11.3033 -11.3032 -9.5646 -9.5618 -8.7558 -8.7518 -8.4936 -8.4856 -3.5840 -3.5832 -1.7875 -1.7828 -1.6525 -1.6521 -1.1075 -1.0966 -1.0732 -1.0697 -0.8180 -0.8136 0.6569 0.6694 0.9043 0.9084 1.9921 1.9930 2.2290 2.2322 2.2523 2.2614 2.6587 2.6609 2.8764 2.8878 3.1867 3.1998 3.2686 3.2768 4.6098 4.6131 4.6936 4.6984 5.0590 5.0626 12.1387 12.1483 12.4021 12.4027 12.7171 12.7188 13.2401 13.2429 13.3800 13.3873 k =-0.3715 0.5171-0.0000 ( 4314 PWs) bands (ev): -13.6932 -13.6931 -13.4819 -13.4819 -11.2762 -11.2760 -9.6134 -9.6107 -8.7415 -8.7373 -8.4842 -8.4761 -3.5803 -3.5794 -1.7643 -1.7595 -1.6692 -1.6686 -1.1642 -1.1535 -1.0904 -1.0865 -0.7394 -0.7345 0.6965 0.7089 0.8855 0.8897 1.9966 1.9973 2.2006 2.2103 2.2310 2.2328 2.6853 2.6862 2.8482 2.8600 3.2069 3.2227 3.2814 3.2916 4.5613 4.5645 4.7176 4.7226 5.0345 5.0380 12.1449 12.1558 12.4219 12.4226 12.7384 12.7385 13.1826 13.1854 13.4661 13.4734 k =-0.3629 0.5310-0.0000 ( 4316 PWs) bands (ev): -13.6976 -13.6975 -13.4825 -13.4825 -11.2472 -11.2471 -9.6620 -9.6594 -8.7266 -8.7221 -8.4769 -8.4687 -3.5769 -3.5760 -1.7399 -1.7350 -1.6869 -1.6864 -1.2188 -1.2081 -1.1073 -1.1031 -0.6586 -0.6533 0.7347 0.7471 0.8646 0.8690 2.0034 2.0038 2.1462 2.1560 2.2327 2.2337 2.7103 2.7106 2.8195 2.8317 3.2231 3.2395 3.3035 3.3136 4.5125 4.5156 4.7426 4.7479 5.0094 5.0128 12.1486 12.1606 12.4419 12.4425 12.7656 12.7671 13.1238 13.1264 13.5541 13.5616 k =-0.3543 0.5448-0.0000 ( 4318 PWs) bands (ev): -13.7023 -13.7022 -13.4830 -13.4830 -11.2166 -11.2164 -9.7102 -9.7078 -8.7110 -8.7063 -8.4716 -8.4633 -3.5741 -3.5732 -1.7163 -1.7112 -1.7056 -1.7052 -1.2690 -1.2582 -1.1238 -1.1193 -0.5762 -0.5705 0.7717 0.7841 0.8417 0.8461 2.0124 2.0128 2.0886 2.0985 2.2349 2.2350 2.7329 2.7344 2.7906 2.8031 3.2356 3.2510 3.3340 3.3423 4.4635 4.4664 4.7684 4.7739 4.9839 4.9872 12.1501 12.1629 12.4617 12.4623 12.7997 12.8024 13.0642 13.0665 13.6436 13.6512 k =-0.3458 0.5587-0.0000 ( 4320 PWs) bands (ev): -13.7075 -13.7074 -13.4834 -13.4834 -11.1841 -11.1839 -9.7579 -9.7557 -8.6948 -8.6898 -8.4682 -8.4599 -3.5720 -3.5710 -1.7262 -1.7253 -1.6954 -1.6908 -1.3119 -1.3009 -1.1397 -1.1348 -0.4927 -0.4866 0.8073 0.8155 0.8212 0.8215 2.0236 2.0240 2.0282 2.0382 2.2369 2.2376 2.7539 2.7561 2.7618 2.7742 3.2462 3.2603 3.3697 3.3761 4.4145 4.4173 4.7949 4.8005 4.9582 4.9614 12.1498 12.1632 12.4809 12.4814 12.8401 12.8439 13.0043 13.0062 13.7110 13.7110 k =-0.3458 0.5587-0.0000 ( 4320 PWs) bands (ev): -13.7075 -13.7074 -13.4834 -13.4834 -11.1841 -11.1839 -9.7579 -9.7557 -8.6948 -8.6898 -8.4682 -8.4599 -3.5720 -3.5710 -1.7262 -1.7253 -1.6954 -1.6908 -1.3119 -1.3009 -1.1397 -1.1348 -0.4927 -0.4866 0.8073 0.8155 0.8212 0.8215 2.0236 2.0240 2.0282 2.0382 2.2369 2.2376 2.7539 2.7561 2.7618 2.7742 3.2462 3.2603 3.3697 3.3761 4.4145 4.4173 4.7949 4.8005 4.9582 4.9614 12.1498 12.1632 12.4809 12.4814 12.8401 12.8439 13.0043 13.0062 13.7110 13.7110 k =-0.3458 0.5587 0.0163 ( 4322 PWs) bands (ev): -13.7073 -13.7072 -13.4835 -13.4835 -11.1832 -11.1829 -9.7574 -9.7551 -8.6972 -8.6922 -8.4691 -8.4608 -3.5697 -3.5687 -1.7267 -1.7258 -1.7044 -1.6998 -1.3002 -1.2894 -1.1380 -1.1332 -0.4963 -0.4902 0.8088 0.8163 0.8221 0.8225 2.0217 2.0221 2.0261 2.0360 2.2383 2.2390 2.7558 2.7577 2.7614 2.7733 3.2451 3.2590 3.3718 3.3779 4.4143 4.4170 4.7945 4.8001 4.9576 4.9608 12.1472 12.1606 12.4796 12.4801 12.8414 12.8449 13.0005 13.0025 13.7097 13.7097 k =-0.3458 0.5587 0.0326 ( 4327 PWs) bands (ev): -13.7068 -13.7067 -13.4838 -13.4838 -11.1803 -11.1800 -9.7557 -9.7534 -8.7043 -8.6993 -8.4719 -8.4636 -3.5626 -3.5616 -1.7305 -1.7273 -1.7266 -1.7241 -1.2681 -1.2575 -1.1330 -1.1282 -0.5069 -0.5011 0.8133 0.8186 0.8242 0.8266 2.0162 2.0165 2.0200 2.0296 2.2425 2.2431 2.7580 2.7613 2.7644 2.7709 3.2420 3.2553 3.3778 3.3833 4.4135 4.4162 4.7932 4.7989 4.9558 4.9589 12.1397 12.1529 12.4755 12.4760 12.8449 12.8482 12.9894 12.9914 13.7060 13.7060 k =-0.3458 0.5587 0.0489 ( 4325 PWs) bands (ev): -13.7061 -13.7060 -13.4843 -13.4843 -11.1754 -11.1752 -9.7528 -9.7506 -8.7161 -8.7112 -8.4765 -8.4683 -3.5509 -3.5500 -1.7633 -1.7581 -1.7303 -1.7297 -1.2213 -1.2108 -1.1247 -1.1199 -0.5245 -0.5188 0.8204 0.8220 0.8277 0.8334 2.0076 2.0077 2.0102 2.0189 2.2489 2.2496 2.7544 2.7664 2.7706 2.7733 3.2374 3.2500 3.3869 3.3918 4.4122 4.4149 4.7911 4.7967 4.9527 4.9558 12.1279 12.1409 12.4689 12.4694 12.8508 12.8534 12.9708 12.9728 13.7005 13.7006 k =-0.3458 0.5587 0.0652 ( 4323 PWs) bands (ev): -13.7050 -13.7049 -13.4849 -13.4849 -11.1687 -11.1685 -9.7489 -9.7466 -8.7324 -8.7275 -8.4829 -8.4748 -3.5347 -3.5338 -1.8022 -1.7969 -1.7338 -1.7331 -1.1648 -1.1543 -1.1129 -1.1083 -0.5483 -0.5430 0.8267 0.8289 0.8333 0.8424 1.9944 1.9966 1.9982 2.0043 2.2571 2.2579 2.7491 2.7606 2.7829 2.7857 3.2318 3.2437 3.3985 3.4027 4.4104 4.4131 4.7882 4.7937 4.9484 4.9515 12.1125 12.1254 12.4597 12.4603 12.8586 12.8605 12.9451 12.9472 13.6940 13.6942 k =-0.3458 0.5587 0.0815 ( 4327 PWs) bands (ev): -13.7036 -13.7035 -13.4858 -13.4858 -11.1600 -11.1598 -9.7438 -9.7416 -8.7531 -8.7483 -8.4912 -8.4832 -3.5142 -3.5134 -1.8429 -1.8376 -1.7382 -1.7375 -1.1033 -1.0961 -1.0934 -1.0911 -0.5780 -0.5731 0.8326 0.8366 0.8429 0.8532 1.9766 1.9830 1.9852 1.9866 2.2667 2.2676 2.7419 2.7527 2.7984 2.8012 3.2258 3.2370 3.4119 3.4156 4.4082 4.4108 4.7843 4.7898 4.9429 4.9459 12.0948 12.1075 12.4482 12.4487 12.8681 12.8693 12.9129 12.9149 13.6871 13.6874 k =-0.3458 0.5587 0.0978 ( 4337 PWs) bands (ev): -13.7019 -13.7018 -13.4868 -13.4868 -11.1494 -11.1492 -9.7376 -9.7354 -8.7781 -8.7734 -8.5012 -8.4933 -3.4896 -3.4889 -1.8835 -1.8783 -1.7437 -1.7430 -1.0799 -1.0749 -1.0331 -1.0232 -0.6129 -0.6084 0.8398 0.8443 0.8551 0.8651 1.9550 1.9624 1.9709 1.9715 2.2773 2.2782 2.7327 2.7428 2.8166 2.8195 3.2197 3.2303 3.4268 3.4301 4.4056 4.4081 4.7794 4.7849 4.9360 4.9390 12.0758 12.0882 12.4343 12.4349 12.8736 12.8751 12.8807 12.8814 13.6803 13.6807 k =-0.3458 0.5587 0.1141 ( 4332 PWs) bands (ev): -13.6999 -13.6997 -13.4880 -13.4880 -11.1369 -11.1368 -9.7302 -9.7281 -8.8072 -8.8025 -8.5129 -8.5051 -3.4612 -3.4606 -1.9229 -1.9178 -1.7502 -1.7495 -1.0579 -1.0531 -0.9617 -0.9518 -0.6523 -0.6482 0.8483 0.8529 0.8681 0.8776 1.9298 1.9367 1.9564 1.9572 2.2885 2.2896 2.7215 2.7307 2.8372 2.8402 3.2138 3.2240 3.4429 3.4458 4.4026 4.4051 4.7736 4.7790 4.9280 4.9309 12.0565 12.0689 12.4179 12.4186 12.8324 12.8343 12.8918 12.8924 13.6737 13.6741 k =-0.3458 0.5587 0.1304 ( 4328 PWs) bands (ev): -13.6976 -13.6975 -13.4895 -13.4895 -11.1225 -11.1224 -9.7218 -9.7197 -8.8400 -8.8355 -8.5263 -8.5187 -3.4292 -3.4288 -1.9604 -1.9554 -1.7578 -1.7571 -1.0325 -1.0279 -0.8877 -0.8778 -0.6956 -0.6919 0.8581 0.8629 0.8813 0.8902 1.9014 1.9076 1.9419 1.9429 2.3002 2.3014 2.7080 2.7162 2.8597 2.8627 3.2083 3.2182 3.4599 3.4626 4.3994 4.4017 4.7668 4.7721 4.9186 4.9214 12.0381 12.0503 12.3988 12.3995 12.7879 12.7897 12.9050 12.9063 13.6670 13.6675 k =-0.3458 0.5587 0.1467 ( 4336 PWs) bands (ev): -13.6950 -13.6949 -13.4911 -13.4911 -11.1062 -11.1061 -9.7122 -9.7102 -8.8764 -8.8720 -8.5414 -8.5339 -3.3941 -3.3938 -1.9957 -1.9909 -1.7664 -1.7657 -1.0037 -0.9992 -0.8121 -0.8023 -0.7418 -0.7383 0.8692 0.8741 0.8942 0.9024 1.8700 1.8753 1.9277 1.9289 2.3122 2.3135 2.6921 2.6993 2.8836 2.8868 3.2036 3.2131 3.4776 3.4802 4.3959 4.3981 4.7588 4.7640 4.9080 4.9107 12.0212 12.0333 12.3763 12.3770 12.7431 12.7449 12.9193 12.9214 13.6598 13.6603 k =-0.3458 0.5587 0.1630 ( 4334 PWs) bands (ev): -13.6921 -13.6920 -13.4929 -13.4929 -11.0880 -11.0879 -9.7015 -9.6996 -8.9161 -8.9118 -8.5580 -8.5507 -3.3561 -3.3559 -2.0283 -2.0237 -1.7762 -1.7755 -0.9714 -0.9670 -0.7931 -0.7902 -0.7326 -0.7225 0.8816 0.8866 0.9062 0.9137 1.8357 1.8403 1.9143 1.9157 2.3243 2.3258 2.6736 2.6798 2.9085 2.9118 3.1998 3.2091 3.4961 3.4986 4.3922 4.3944 4.7497 4.7548 4.8961 4.8988 12.0067 12.0188 12.3498 12.3506 12.7006 12.7022 12.9347 12.9376 13.6516 13.6520 k =-0.3458 0.5587 0.1793 ( 4337 PWs) bands (ev): -13.6890 -13.6889 -13.4948 -13.4948 -11.0680 -11.0679 -9.6898 -9.6879 -8.9589 -8.9547 -8.5761 -8.5690 -3.3155 -3.3154 -2.0582 -2.0538 -1.7871 -1.7864 -0.9356 -0.9314 -0.8441 -0.8417 -0.6545 -0.6444 0.8953 0.9005 0.9171 0.9239 1.7989 1.8026 1.9019 1.9036 2.3364 2.3381 2.6525 2.6576 2.9336 2.9370 3.1972 3.2063 3.5151 3.5176 4.3885 4.3906 4.7394 4.7444 4.8830 4.8856 11.9952 12.0073 12.3186 12.3194 12.6625 12.6641 12.9511 12.9547 13.6416 13.6421 k =-0.3458 0.5587 0.1956 ( 4341 PWs) bands (ev): -13.6857 -13.6856 -13.4970 -13.4970 -11.0461 -11.0460 -9.6769 -9.6751 -9.0044 -9.0004 -8.5957 -8.5888 -3.2728 -3.2728 -2.0852 -2.0810 -1.7991 -1.7984 -0.8998 -0.8960 -0.8941 -0.8918 -0.5751 -0.5650 0.9103 0.9156 0.9267 0.9326 1.7597 1.7626 1.8909 1.8928 2.3484 2.3502 2.6285 2.6325 2.9585 2.9620 3.1962 3.2049 3.5348 3.5373 4.3849 4.3869 4.7278 4.7327 4.8688 4.8712 11.9872 11.9993 12.2826 12.2834 12.6307 12.6321 12.9682 12.9725 13.6294 13.6299 k =-0.3458 0.5587 0.2118 ( 4345 PWs) bands (ev): -13.6821 -13.6820 -13.4994 -13.4994 -11.0223 -11.0223 -9.6630 -9.6613 -9.0524 -9.0486 -8.6166 -8.6099 -3.2284 -3.2282 -2.1092 -2.1052 -1.8123 -1.8116 -0.9526 -0.9506 -0.8534 -0.8497 -0.4954 -0.4853 0.9266 0.9311 0.9354 0.9397 1.7183 1.7205 1.8816 1.8837 2.3600 2.3620 2.6017 2.6045 2.9823 2.9858 3.1970 3.2054 3.5550 3.5575 4.3813 4.3833 4.7149 4.7197 4.8534 4.8557 11.9830 11.9952 12.2422 12.2431 12.6060 12.6072 12.9859 12.9908 13.6143 13.6148 k =-0.3458 0.5587 0.2281 ( 4339 PWs) bands (ev): -13.6783 -13.6782 -13.5019 -13.5019 -10.9968 -10.9967 -9.6480 -9.6464 -9.1027 -9.0990 -8.6388 -8.6324 -3.1825 -3.1822 -2.1301 -2.1263 -1.8266 -1.8259 -1.0084 -1.0068 -0.8072 -0.8037 -0.4156 -0.4055 0.9396 0.9427 0.9465 0.9508 1.6750 1.6763 1.8742 1.8766 2.3712 2.3734 2.5720 2.5736 3.0043 3.0078 3.2000 3.2080 3.5758 3.5784 4.3781 4.3799 4.7006 4.7053 4.8369 4.8391 11.9830 11.9952 12.1988 12.1998 12.5882 12.5893 13.0037 13.0094 13.5955 13.5961 k =-0.3458 0.5587 0.2444 ( 4339 PWs) bands (ev): -13.6742 -13.6741 -13.5046 -13.5046 -10.9694 -10.9693 -9.6319 -9.6304 -9.1549 -9.1514 -8.6623 -8.6561 -3.1354 -3.1350 -2.1479 -2.1443 -1.8420 -1.8414 -1.0650 -1.0636 -0.7577 -0.7544 -0.3363 -0.3263 0.9438 0.9477 0.9638 0.9697 1.6298 1.6304 1.8690 1.8717 2.3816 2.3840 2.5393 2.5398 3.0239 3.0272 3.2056 3.2130 3.5973 3.5999 4.3752 4.3770 4.6849 4.6894 4.8195 4.8215 11.9873 11.9996 12.1540 12.1551 12.5769 12.5779 13.0215 13.0278 13.5724 13.5731 k =-0.3458 0.5587 0.2607 ( 4337 PWs) bands (ev): -13.6700 -13.6699 -13.5075 -13.5075 -10.9403 -10.9402 -9.6149 -9.6135 -9.2089 -9.2055 -8.6868 -8.6809 -3.0873 -3.0869 -2.1625 -2.1592 -1.8587 -1.8581 -1.1219 -1.1208 -0.7048 -0.7018 -0.2578 -0.2478 0.9458 0.9491 0.9840 0.9901 1.5829 1.5830 1.8663 1.8693 2.3911 2.3936 2.5030 2.5036 3.0407 3.0436 3.2138 3.2204 3.6195 3.6222 4.3727 4.3745 4.6677 4.6721 4.8012 4.8030 11.9960 12.0084 12.1095 12.1109 12.5710 12.5720 13.0386 13.0457 13.5442 13.5450 k =-0.3458 0.5587 0.2770 ( 4337 PWs) bands (ev): -13.6655 -13.6654 -13.5106 -13.5106 -10.9094 -10.9092 -9.5968 -9.5955 -9.2644 -9.2611 -8.7125 -8.7067 -3.0388 -3.0382 -2.1740 -2.1709 -1.8765 -1.8760 -1.1789 -1.1780 -0.6488 -0.6461 -0.1804 -0.1705 0.9458 0.9485 1.0054 1.0117 1.5341 1.5349 1.8663 1.8695 2.3994 2.4021 2.4634 2.4651 3.0545 3.0570 3.2243 3.2298 3.6427 3.6455 4.3708 4.3725 4.6489 4.6532 4.7821 4.7838 12.0093 12.0216 12.0671 12.0686 12.5700 12.5709 13.0545 13.0623 13.5098 13.5109 k =-0.3458 0.5587 0.2933 ( 4343 PWs) bands (ev): -13.6609 -13.6608 -13.5139 -13.5139 -10.8767 -10.8765 -9.5777 -9.5765 -9.3211 -9.3180 -8.7390 -8.7336 -2.9898 -2.9892 -2.1824 -2.1795 -1.8955 -1.8950 -1.2358 -1.2351 -0.5897 -0.5874 -0.1046 -0.0947 0.9438 0.9458 1.0278 1.0343 1.4842 1.4855 1.8691 1.8726 2.4061 2.4089 2.4214 2.4239 3.0657 3.0677 3.2362 3.2407 3.6670 3.6697 4.3696 4.3713 4.6287 4.6329 4.7624 4.7639 12.0263 12.0285 12.0290 12.0399 12.5729 12.5738 13.0684 13.0769 13.4682 13.4696 k =-0.3458 0.5587 0.3096 ( 4344 PWs) bands (ev): -13.6562 -13.6561 -13.5174 -13.5173 -10.8424 -10.8421 -9.5576 -9.5566 -9.3789 -9.3759 -8.7665 -8.7612 -2.9408 -2.9401 -2.1876 -2.1850 -1.9157 -1.9152 -1.2923 -1.2918 -0.5277 -0.5257 -0.0306 -0.0209 0.9398 0.9412 1.0510 1.0576 1.4336 1.4354 1.8749 1.8787 2.3757 2.3796 2.4117 2.4149 3.0748 3.0764 3.2486 3.2521 3.6925 3.6952 4.3691 4.3707 4.6069 4.6110 4.7421 4.7434 11.9929 11.9948 12.0490 12.0615 12.5792 12.5801 13.0795 13.0888 13.4185 13.4205 k =-0.3458 0.5587 0.3259 ( 4343 PWs) bands (ev): -13.6512 -13.6511 -13.5210 -13.5210 -10.8063 -10.8060 -9.5366 -9.5357 -9.4375 -9.4347 -8.7947 -8.7897 -2.8919 -2.8911 -2.1897 -2.1873 -1.9371 -1.9366 -1.3483 -1.3479 -0.4630 -0.4614 0.0411 0.0507 0.9339 0.9347 1.0743 1.0808 1.3833 1.3853 1.8839 1.8880 2.3283 2.3332 2.4149 2.4184 3.0826 3.0838 3.2605 3.2630 3.7193 3.7220 4.3695 4.3711 4.5836 4.5875 4.7214 4.7226 11.9633 11.9654 12.0752 12.0877 12.5882 12.5891 13.0868 13.0967 13.3605 13.3631 k =-0.3458 0.5587 0.3422 ( 4346 PWs) bands (ev): -13.6462 -13.6461 -13.5248 -13.5248 -10.7686 -10.7682 -9.5146 -9.5139 -9.4967 -9.4940 -8.8236 -8.8189 -2.8433 -2.8425 -2.1888 -2.1866 -1.9596 -1.9592 -1.4035 -1.4032 -0.3957 -0.3946 0.1103 0.1197 0.9261 0.9263 1.0960 1.1021 1.3350 1.3368 1.8961 1.9004 2.2786 2.2845 2.4160 2.4197 3.0897 3.0907 3.2710 3.2726 3.7476 3.7502 4.3707 4.3723 4.5588 4.5626 4.7005 4.7015 11.9395 11.9419 12.1054 12.1179 12.5990 12.5999 13.0893 13.0997 13.2949 13.2981 k =-0.3458 0.5587 0.3585 ( 4346 PWs) bands (ev): -13.6411 -13.6410 -13.5288 -13.5287 -10.7292 -10.7288 -9.5565 -9.5539 -9.4917 -9.4911 -8.8531 -8.8487 -2.7951 -2.7943 -2.1848 -2.1829 -1.9833 -1.9830 -1.4577 -1.4575 -0.3262 -0.3255 0.1766 0.1859 0.9162 0.9165 1.1121 1.1167 1.2935 1.2941 1.9114 1.9159 2.2269 2.2337 2.4148 2.4187 3.0967 3.0975 3.2793 3.2801 3.7773 3.7799 4.3730 4.3745 4.5325 4.5361 4.6794 4.6802 11.9222 11.9248 12.1395 12.1519 12.6106 12.6114 13.0859 13.0968 13.2241 13.2279 k =-0.3458 0.5587 0.3748 ( 4348 PWs) bands (ev): -13.6358 -13.6357 -13.5329 -13.5328 -10.6883 -10.6878 -9.6164 -9.6140 -9.4679 -9.4675 -8.8831 -8.8789 -2.7475 -2.7467 -2.1779 -2.1761 -2.0082 -2.0080 -1.5109 -1.5108 -0.2546 -0.2544 0.2400 0.2489 0.9043 0.9051 1.1127 1.1140 1.2670 1.2697 1.9299 1.9346 2.1735 2.1811 2.4110 2.4151 3.1039 3.1047 3.2852 3.2853 3.8085 3.8110 4.3762 4.3778 4.5048 4.5083 4.6583 4.6589 11.9117 11.9145 12.1771 12.1895 12.6211 12.6219 13.0759 13.0872 13.1515 13.1557 k =-0.3458 0.5587 0.3911 ( 4347 PWs) bands (ev): -13.6305 -13.6304 -13.5371 -13.5371 -10.6458 -10.6452 -9.6765 -9.6742 -9.4433 -9.4431 -8.9135 -8.9096 -2.7007 -2.6999 -2.1680 -2.1664 -2.0343 -2.0341 -1.5629 -1.5629 -0.1815 -0.1813 0.3000 0.3087 0.8908 0.8921 1.0852 1.0874 1.2661 1.2723 1.9514 1.9562 2.1187 2.1272 2.4044 2.4088 3.1116 3.1125 3.2879 3.2884 3.8411 3.8435 4.3806 4.3821 4.4757 4.4791 4.6373 4.6378 11.9083 11.9114 12.2180 12.2303 12.6279 12.6285 13.0590 13.0704 13.0819 13.0864 k =-0.3458 0.5587 0.4074 ( 4341 PWs) bands (ev): -13.6251 -13.6250 -13.5416 -13.5415 -10.6017 -10.6011 -9.7365 -9.7344 -9.4179 -9.4178 -8.9442 -8.9406 -2.6546 -2.6539 -2.1552 -2.1538 -2.0616 -2.0614 -1.6136 -1.6135 -0.1072 -0.1064 0.3567 0.3651 0.8756 0.8774 1.0378 1.0418 1.2856 1.2937 1.9756 1.9806 2.0630 2.0721 2.3950 2.3996 3.1202 3.1211 3.2879 3.2889 3.8748 3.8773 4.3861 4.3875 4.4453 4.4486 4.6166 4.6169 11.9122 11.9155 12.2619 12.2741 12.6264 12.6265 13.0216 13.0259 13.0353 13.0468 k =-0.3458 0.5587 0.4237 ( 4343 PWs) bands (ev): -13.6196 -13.6195 -13.5461 -13.5461 -10.5562 -10.5556 -9.7964 -9.7944 -9.3918 -9.3917 -8.9752 -8.9719 -2.6095 -2.6087 -2.1396 -2.1384 -2.0900 -2.0899 -1.6627 -1.6627 -0.0318 -0.0305 0.4100 0.4181 0.8588 0.8611 0.9813 0.9862 1.3154 1.3244 2.0021 2.0052 2.0086 2.0163 2.3827 2.3874 3.1295 3.1307 3.2852 3.2867 3.9097 3.9120 4.3926 4.3940 4.4138 4.4169 4.5962 4.5963 11.9235 11.9270 12.3083 12.3205 12.6099 12.6105 12.9783 12.9821 13.0051 13.0164 k =-0.3458 0.5587 0.4400 ( 4340 PWs) bands (ev): -13.6142 -13.6141 -13.5508 -13.5508 -10.5093 -10.5085 -9.8560 -9.8540 -9.3651 -9.3648 -9.0063 -9.0033 -2.5653 -2.5646 -2.1227 -2.1221 -2.1181 -2.1176 -1.7103 -1.7103 0.0445 0.0464 0.4598 0.4675 0.8404 0.8431 0.9201 0.9254 1.3507 1.3603 1.9496 1.9599 2.0310 2.0362 2.3674 2.3723 3.1398 3.1412 3.2802 3.2820 3.9454 3.9477 4.3809 4.3841 4.4004 4.4019 4.5762 4.5763 11.9422 11.9459 12.3571 12.3692 12.5746 12.5761 12.9565 12.9599 12.9695 12.9803 k =-0.3458 0.5587 0.4563 ( 4344 PWs) bands (ev): -13.6087 -13.6086 -13.5557 -13.5556 -10.4610 -10.4601 -9.9151 -9.9133 -9.3377 -9.3372 -9.0376 -9.0348 -2.5221 -2.5214 -2.1506 -2.1506 -2.1000 -2.0991 -1.7561 -1.7561 0.1213 0.1237 0.5062 0.5136 0.8204 0.8235 0.8556 0.8611 1.3895 1.3996 1.8928 1.9035 2.0614 2.0667 2.3492 2.3542 3.1510 3.1525 3.2730 3.2751 3.9818 3.9841 4.3473 4.3503 4.4093 4.4106 4.5567 4.5569 11.9682 11.9721 12.4077 12.4198 12.5227 12.5251 12.9274 12.9391 12.9570 12.9587 k =-0.3458 0.5587 0.4726 ( 4343 PWs) bands (ev): -13.6032 -13.6031 -13.5606 -13.5606 -10.4113 -10.4104 -9.9737 -9.9720 -9.3096 -9.3090 -9.0688 -9.0662 -2.4799 -2.4793 -2.1825 -2.1825 -2.0763 -2.0755 -1.8002 -1.8002 0.1984 0.2013 0.5494 0.5564 0.7885 0.7941 0.7988 0.8025 1.4313 1.4417 1.8364 1.8474 2.0929 2.0983 2.3282 2.3333 3.1630 3.1647 3.2640 3.2662 4.0187 4.0210 4.3128 4.3156 4.4193 4.4206 4.5379 4.5382 12.0013 12.0053 12.4551 12.4634 12.4654 12.4721 12.8825 12.8940 12.9714 12.9727 k =-0.3458 0.5587 0.4889 ( 4347 PWs) bands (ev): -13.5977 -13.5976 -13.5657 -13.5656 -10.3604 -10.3594 -10.0316 -10.0300 -9.2810 -9.2801 -9.0999 -9.0976 -2.4388 -2.4382 -2.2157 -2.2155 -2.0500 -2.0494 -1.8423 -1.8423 0.2753 0.2788 0.5895 0.5961 0.7196 0.7252 0.7752 0.7793 1.4755 1.4862 1.7807 1.7920 2.1252 2.1305 2.3046 2.3098 3.1756 3.1776 3.2534 3.2557 4.0559 4.0582 4.2774 4.2801 4.4305 4.4317 4.5197 4.5203 12.0412 12.0453 12.3930 12.3970 12.5140 12.5254 12.8342 12.8456 12.9961 12.9969 k =-0.3458 0.5587 0.5052 ( 4339 PWs) bands (ev): -13.5922 -13.5921 -13.5708 -13.5708 -10.3082 -10.3071 -10.0888 -10.0873 -9.2518 -9.2507 -9.1309 -9.1288 -2.3988 -2.3983 -2.2500 -2.2498 -2.0212 -2.0207 -1.8824 -1.8823 0.3518 0.3558 0.6266 0.6326 0.6491 0.6543 0.7498 0.7544 1.5219 1.5329 1.7260 1.7374 2.1575 2.1629 2.2786 2.2839 3.1888 3.1909 3.2416 3.2440 4.0933 4.0956 4.2414 4.2440 4.4428 4.4439 4.5025 4.5031 12.0876 12.0918 12.3256 12.3297 12.5681 12.5796 12.7835 12.7948 13.0272 13.0278 k =-0.3458 0.5587 0.5215 ( 4340 PWs) bands (ev): -13.5868 -13.5867 -13.5761 -13.5760 -10.2549 -10.2537 -10.1451 -10.1437 -9.2222 -9.2208 -9.1616 -9.1598 -2.3599 -2.3595 -2.2855 -2.2852 -1.9899 -1.9895 -1.9205 -1.9203 0.4277 0.4321 0.5764 0.5815 0.6611 0.6669 0.7225 0.7274 1.5703 1.5815 1.6725 1.6839 2.1895 2.1949 2.2505 2.2559 3.2022 3.2045 3.2289 3.2313 4.1306 4.1331 4.2048 4.2074 4.4562 4.4572 4.4861 4.4869 12.1399 12.1442 12.2599 12.2642 12.6227 12.6341 12.7309 12.7422 13.0628 13.0633 k =-0.3458 0.5587 0.5378 ( 4346 PWs) bands (ev): -13.5814 -13.5814 -13.5813 -13.5813 -10.2005 -10.2005 -10.1992 -10.1992 -9.1921 -9.1921 -9.1905 -9.1905 -2.3221 -2.3221 -2.3218 -2.3218 -1.9563 -1.9563 -1.9561 -1.9561 0.5027 0.5027 0.5074 0.5074 0.6930 0.6930 0.6983 0.6983 1.6206 1.6206 1.6319 1.6319 2.2207 2.2207 2.2261 2.2261 3.2157 3.2157 3.2180 3.2180 4.1679 4.1679 4.1704 4.1704 4.4706 4.4706 4.4715 4.4715 12.1976 12.1976 12.2020 12.2020 12.6771 12.6771 12.6884 12.6884 13.1015 13.1015 k =-0.3458 0.5587 0.5378 ( 4346 PWs) bands (ev): -13.5814 -13.5814 -13.5813 -13.5813 -10.2005 -10.2005 -10.1992 -10.1992 -9.1921 -9.1921 -9.1905 -9.1905 -2.3221 -2.3221 -2.3218 -2.3218 -1.9563 -1.9563 -1.9561 -1.9561 0.5027 0.5027 0.5074 0.5074 0.6930 0.6930 0.6983 0.6983 1.6206 1.6206 1.6319 1.6319 2.2207 2.2207 2.2261 2.2261 3.2157 3.2157 3.2180 3.2180 4.1679 4.1679 4.1704 4.1704 4.4706 4.4706 4.4715 4.4715 12.1976 12.1976 12.2020 12.2020 12.6771 12.6771 12.6884 12.6884 13.1015 13.1015 k =-0.3543 0.5448 0.5378 ( 4340 PWs) bands (ev): -13.5790 -13.5790 -13.5789 -13.5789 -10.2288 -10.2288 -10.2275 -10.2275 -9.1600 -9.1600 -9.1584 -9.1584 -2.2876 -2.2876 -2.2872 -2.2872 -2.0266 -2.0266 -2.0262 -2.0262 0.5227 0.5227 0.5275 0.5275 0.6996 0.6996 0.7046 0.7046 1.6291 1.6291 1.6403 1.6403 2.2294 2.2294 2.2346 2.2346 3.2116 3.2116 3.2138 3.2138 4.1386 4.1386 4.1411 4.1411 4.5024 4.5024 4.5032 4.5032 12.1496 12.1496 12.1538 12.1538 12.6682 12.6682 12.6791 12.6791 13.1303 13.1303 k =-0.3629 0.5310 0.5378 ( 4328 PWs) bands (ev): -13.5767 -13.5767 -13.5766 -13.5766 -10.2556 -10.2556 -10.2544 -10.2544 -9.1286 -9.1286 -9.1271 -9.1271 -2.2549 -2.2549 -2.2545 -2.2545 -2.0946 -2.0946 -2.0942 -2.0942 0.5406 0.5406 0.5453 0.5453 0.7061 0.7061 0.7109 0.7109 1.6387 1.6387 1.6496 1.6496 2.2387 2.2387 2.2437 2.2437 3.2072 3.2072 3.2092 3.2092 4.1107 4.1107 4.1132 4.1132 4.5345 4.5345 4.5353 4.5353 12.1012 12.1012 12.1053 12.1053 12.6584 12.6584 12.6688 12.6688 13.1602 13.1602 k =-0.3715 0.5171 0.5378 ( 4332 PWs) bands (ev): -13.5745 -13.5745 -13.5745 -13.5745 -10.2809 -10.2809 -10.2798 -10.2798 -9.0980 -9.0980 -9.0966 -9.0966 -2.2242 -2.2242 -2.2239 -2.2239 -2.1602 -2.1602 -2.1598 -2.1598 0.5565 0.5565 0.5611 0.5611 0.7126 0.7126 0.7170 0.7170 1.6490 1.6490 1.6595 1.6595 2.2483 2.2483 2.2531 2.2531 3.2025 3.2025 3.2044 3.2044 4.0844 4.0844 4.0868 4.0868 4.5667 4.5667 4.5675 4.5675 12.0533 12.0533 12.0571 12.0571 12.6482 12.6482 12.6580 12.6580 13.1905 13.1905 k =-0.3800 0.5033 0.5378 ( 4336 PWs) bands (ev): -13.5725 -13.5725 -13.5724 -13.5724 -10.3047 -10.3047 -10.3037 -10.3037 -9.0685 -9.0685 -9.0671 -9.0671 -2.2234 -2.2234 -2.2229 -2.2229 -2.1952 -2.1952 -2.1948 -2.1948 0.5705 0.5705 0.5750 0.5750 0.7189 0.7189 0.7231 0.7231 1.6598 1.6598 1.6699 1.6699 2.2582 2.2582 2.2627 2.2627 3.1976 3.1976 3.1993 3.1993 4.0596 4.0596 4.0620 4.0620 4.5988 4.5988 4.5996 4.5996 12.0064 12.0064 12.0101 12.0101 12.6382 12.6382 12.6474 12.6474 13.2205 13.2205 k =-0.3886 0.4894 0.5378 ( 4340 PWs) bands (ev): -13.5706 -13.5706 -13.5705 -13.5705 -10.3270 -10.3270 -10.3261 -10.3261 -9.0401 -9.0401 -9.0388 -9.0388 -2.2832 -2.2832 -2.2826 -2.2826 -2.1685 -2.1685 -2.1681 -2.1681 0.5828 0.5828 0.5871 0.5871 0.7251 0.7251 0.7289 0.7289 1.6709 1.6709 1.6806 1.6806 2.2681 2.2681 2.2723 2.2723 3.1924 3.1924 3.1940 3.1940 4.0364 4.0364 4.0388 4.0388 4.6304 4.6304 4.6312 4.6312 11.9613 11.9613 11.9647 11.9647 12.6288 12.6288 12.6374 12.6374 13.2496 13.2496 k =-0.3972 0.4756 0.5378 ( 4344 PWs) bands (ev): -13.5688 -13.5688 -13.5688 -13.5688 -10.3478 -10.3478 -10.3469 -10.3469 -9.0131 -9.0131 -9.0118 -9.0118 -2.3398 -2.3398 -2.3392 -2.3392 -2.1437 -2.1437 -2.1433 -2.1433 0.5934 0.5934 0.5975 0.5975 0.7311 0.7311 0.7346 0.7346 1.6821 1.6821 1.6912 1.6912 2.2779 2.2779 2.2819 2.2819 3.1871 3.1871 3.1885 3.1885 4.0149 4.0149 4.0172 4.0172 4.6614 4.6614 4.6622 4.6622 11.9182 11.9182 11.9214 11.9214 12.6203 12.6203 12.6284 12.6284 13.2775 13.2775 k =-0.4057 0.4617 0.5378 ( 4342 PWs) bands (ev): -13.5672 -13.5672 -13.5672 -13.5672 -10.3669 -10.3669 -10.3661 -10.3661 -8.9875 -8.9875 -8.9863 -8.9863 -2.3930 -2.3930 -2.3924 -2.3924 -2.1208 -2.1208 -2.1205 -2.1205 0.6027 0.6027 0.6065 0.6065 0.7368 0.7368 0.7400 0.7400 1.6932 1.6932 1.7017 1.7017 2.2875 2.2875 2.2913 2.2913 3.1818 3.1818 3.1831 3.1831 3.9951 3.9951 3.9973 3.9973 4.6914 4.6914 4.6921 4.6921 11.8775 11.8775 11.8805 11.8805 12.6132 12.6132 12.6206 12.6206 13.3039 13.3039 k =-0.4143 0.4479 0.5378 ( 4334 PWs) bands (ev): -13.5657 -13.5657 -13.5657 -13.5657 -10.3844 -10.3844 -10.3837 -10.3837 -8.9635 -8.9635 -8.9624 -8.9624 -2.4424 -2.4424 -2.4418 -2.4418 -2.0999 -2.0999 -2.0996 -2.0996 0.6106 0.6106 0.6142 0.6142 0.7422 0.7422 0.7451 0.7451 1.7040 1.7040 1.7119 1.7119 2.2969 2.2969 2.3003 2.3003 3.1765 3.1765 3.1777 3.1777 3.9771 3.9771 3.9791 3.9791 4.7202 4.7202 4.7208 4.7208 11.8397 11.8397 11.8423 11.8423 12.6074 12.6074 12.6143 12.6143 13.3284 13.3285 k =-0.4229 0.4341 0.5378 ( 4326 PWs) bands (ev): -13.5643 -13.5643 -13.5643 -13.5643 -10.4004 -10.4004 -10.3997 -10.3997 -8.9412 -8.9412 -8.9402 -8.9402 -2.4878 -2.4878 -2.4873 -2.4873 -2.0810 -2.0810 -2.0807 -2.0807 0.6173 0.6173 0.6206 0.6206 0.7473 0.7473 0.7499 0.7499 1.7143 1.7143 1.7215 1.7215 2.3057 2.3057 2.3089 2.3089 3.1714 3.1714 3.1724 3.1724 3.9607 3.9607 3.9626 3.9626 4.7473 4.7473 4.7479 4.7479 11.8047 11.8047 11.8072 11.8072 12.6033 12.6033 12.6095 12.6095 13.3510 13.3510 k =-0.4315 0.4202 0.5378 ( 4334 PWs) bands (ev): -13.5631 -13.5631 -13.5631 -13.5631 -10.4147 -10.4147 -10.4141 -10.4141 -8.9209 -8.9209 -8.9200 -8.9200 -2.5291 -2.5291 -2.5286 -2.5286 -2.0641 -2.0641 -2.0638 -2.0638 0.6231 0.6231 0.6260 0.6260 0.7519 0.7519 0.7543 0.7543 1.7240 1.7240 1.7305 1.7305 2.3140 2.3140 2.3169 2.3169 3.1664 3.1664 3.1674 3.1674 3.9461 3.9461 3.9478 3.9478 4.7725 4.7725 4.7730 4.7730 11.7730 11.7730 11.7752 11.7752 12.6006 12.6006 12.6062 12.6062 13.3714 13.3715 k =-0.4400 0.4064 0.5378 ( 4354 PWs) bands (ev): -13.5620 -13.5620 -13.5620 -13.5620 -10.4273 -10.4273 -10.4268 -10.4268 -8.9026 -8.9026 -8.9018 -8.9018 -2.5661 -2.5661 -2.5656 -2.5656 -2.0492 -2.0492 -2.0490 -2.0490 0.6279 0.6279 0.6305 0.6305 0.7562 0.7562 0.7582 0.7582 1.7328 1.7328 1.7386 1.7386 2.3217 2.3217 2.3242 2.3242 3.1618 3.1618 3.1626 3.1626 3.9333 3.9333 3.9348 3.9348 4.7955 4.7955 4.7960 4.7960 11.7447 11.7447 11.7466 11.7466 12.5994 12.5994 12.6044 12.6044 13.3896 13.3896 k =-0.4486 0.3925 0.5378 ( 4354 PWs) bands (ev): -13.5611 -13.5611 -13.5611 -13.5611 -10.4383 -10.4383 -10.4378 -10.4378 -8.8864 -8.8864 -8.8857 -8.8857 -2.5984 -2.5984 -2.5980 -2.5980 -2.0363 -2.0363 -2.0361 -2.0361 0.6318 0.6318 0.6341 0.6341 0.7600 0.7600 0.7617 0.7617 1.7408 1.7408 1.7458 1.7458 2.3285 2.3285 2.3308 2.3308 3.1576 3.1576 3.1583 3.1583 3.9221 3.9221 3.9235 3.9235 4.8161 4.8161 4.8165 4.8165 11.7198 11.7198 11.7215 11.7215 12.5994 12.5994 12.6038 12.6038 13.4055 13.4055 k =-0.4572 0.3787 0.5378 ( 4370 PWs) bands (ev): -13.5603 -13.5603 -13.5603 -13.5603 -10.4476 -10.4476 -10.4472 -10.4472 -8.8725 -8.8725 -8.8720 -8.8720 -2.6261 -2.6261 -2.6258 -2.6258 -2.0253 -2.0253 -2.0251 -2.0251 0.6351 0.6351 0.6370 0.6370 0.7633 0.7633 0.7647 0.7647 1.7478 1.7478 1.7520 1.7520 2.3345 2.3345 2.3364 2.3364 3.1539 3.1539 3.1545 3.1545 3.9128 3.9128 3.9139 3.9139 4.8339 4.8339 4.8343 4.8343 11.6986 11.6986 11.7000 11.7000 12.6004 12.6004 12.6041 12.6041 13.4190 13.4190 k =-0.4657 0.3648 0.5378 ( 4374 PWs) bands (ev): -13.5597 -13.5597 -13.5596 -13.5596 -10.4552 -10.4552 -10.4549 -10.4549 -8.8610 -8.8610 -8.8606 -8.8606 -2.6489 -2.6489 -2.6487 -2.6487 -2.0164 -2.0164 -2.0162 -2.0162 0.6377 0.6377 0.6392 0.6392 0.7660 0.7660 0.7672 0.7672 1.7537 1.7537 1.7571 1.7571 2.3396 2.3396 2.3411 2.3411 3.1507 3.1507 3.1512 3.1512 3.9052 3.9052 3.9061 3.9061 4.8489 4.8489 4.8491 4.8491 11.6812 11.6812 11.6823 11.6823 12.6021 12.6021 12.6050 12.6050 13.4300 13.4301 k =-0.4743 0.3510 0.5378 ( 4362 PWs) bands (ev): -13.5591 -13.5591 -13.5591 -13.5591 -10.4611 -10.4611 -10.4609 -10.4609 -8.8520 -8.8520 -8.8516 -8.8516 -2.6668 -2.6668 -2.6666 -2.6666 -2.0094 -2.0094 -2.0093 -2.0093 0.6397 0.6397 0.6408 0.6408 0.7682 0.7682 0.7691 0.7691 1.7585 1.7585 1.7610 1.7610 2.3436 2.3436 2.3448 2.3448 3.1482 3.1482 3.1486 3.1486 3.8993 3.8993 3.9000 3.9000 4.8607 4.8607 4.8609 4.8609 11.6676 11.6676 11.6684 11.6684 12.6039 12.6039 12.6062 12.6062 13.4386 13.4387 k =-0.4829 0.3372 0.5378 ( 4368 PWs) bands (ev): -13.5588 -13.5588 -13.5588 -13.5588 -10.4653 -10.4653 -10.4652 -10.4652 -8.8454 -8.8454 -8.8452 -8.8452 -2.6796 -2.6796 -2.6795 -2.6795 -2.0044 -2.0044 -2.0043 -2.0043 0.6411 0.6411 0.6419 0.6419 0.7699 0.7699 0.7705 0.7705 1.7620 1.7620 1.7637 1.7637 2.3466 2.3466 2.3474 2.3474 3.1464 3.1464 3.1466 3.1466 3.8951 3.8951 3.8956 3.8956 4.8693 4.8693 4.8694 4.8694 11.6578 11.6578 11.6584 11.6584 12.6057 12.6057 12.6072 12.6072 13.4448 13.4448 k =-0.4914 0.3233 0.5378 ( 4372 PWs) bands (ev): -13.5586 -13.5586 -13.5586 -13.5586 -10.4678 -10.4678 -10.4678 -10.4678 -8.8415 -8.8415 -8.8413 -8.8413 -2.6873 -2.6873 -2.6873 -2.6873 -2.0014 -2.0014 -2.0014 -2.0014 0.6421 0.6421 0.6425 0.6425 0.7709 0.7709 0.7712 0.7712 1.7643 1.7643 1.7652 1.7652 2.3485 2.3485 2.3489 2.3489 3.1453 3.1453 3.1454 3.1454 3.8926 3.8926 3.8929 3.8929 4.8745 4.8745 4.8745 4.8745 11.6520 11.6520 11.6523 11.6523 12.6071 12.6071 12.6078 12.6078 13.4485 13.4485 k =-0.5000 0.3095 0.5378 ( 4376 PWs) bands (ev): -13.5585 -13.5585 -13.5585 -13.5585 -10.4687 -10.4687 -10.4687 -10.4687 -8.8401 -8.8401 -8.8401 -8.8401 -2.6899 -2.6899 -2.6899 -2.6899 -2.0004 -2.0004 -2.0004 -2.0004 0.6425 0.6425 0.6425 0.6425 0.7714 0.7714 0.7714 0.7714 1.7654 1.7654 1.7654 1.7654 2.3493 2.3493 2.3493 2.3493 3.1450 3.1450 3.1450 3.1450 3.8919 3.8919 3.8919 3.8919 4.8762 4.8762 4.8762 4.8762 11.6502 11.6502 11.6502 11.6502 12.6078 12.6078 12.6078 12.6078 13.4497 13.4497 k =-0.5000 0.3095 0.5378 ( 4376 PWs) bands (ev): -13.5585 -13.5585 -13.5585 -13.5585 -10.4687 -10.4687 -10.4687 -10.4687 -8.8401 -8.8401 -8.8401 -8.8401 -2.6899 -2.6899 -2.6899 -2.6899 -2.0004 -2.0004 -2.0004 -2.0004 0.6425 0.6425 0.6425 0.6425 0.7714 0.7714 0.7714 0.7714 1.7654 1.7654 1.7654 1.7654 2.3493 2.3493 2.3493 2.3493 3.1450 3.1450 3.1450 3.1450 3.8919 3.8919 3.8919 3.8919 4.8762 4.8762 4.8762 4.8762 11.6502 11.6502 11.6502 11.6502 12.6078 12.6078 12.6078 12.6078 13.4497 13.4497 k =-0.5000 0.3095 0.5215 ( 4376 PWs) bands (ev): -13.5631 -13.5631 -13.5540 -13.5540 -10.5255 -10.5255 -10.4107 -10.4107 -8.8463 -8.8463 -8.8341 -8.8341 -2.6948 -2.6948 -2.6819 -2.6819 -2.0381 -2.0381 -1.9650 -1.9650 0.5457 0.5457 0.7392 0.7392 0.7644 0.7644 0.7767 0.7767 1.7382 1.7382 1.7949 1.7949 2.3445 2.3445 2.3526 2.3526 3.1424 3.1424 3.1443 3.1443 3.8547 3.8547 3.9293 3.9293 4.8758 4.8758 4.8775 4.8775 11.6525 11.6525 11.6563 11.6563 12.6049 12.6049 12.6078 12.6078 13.4062 13.4062 k =-0.5000 0.3095 0.5052 ( 4368 PWs) bands (ev): -13.5677 -13.5677 -13.5495 -13.5495 -10.5811 -10.5811 -10.3517 -10.3517 -8.8527 -8.8527 -8.8282 -8.8282 -2.6966 -2.6966 -2.6708 -2.6708 -2.0782 -2.0782 -1.9317 -1.9317 0.4496 0.4496 0.7555 0.7555 0.7803 0.7803 0.8349 0.8349 1.7142 1.7142 1.8261 1.8261 2.3384 2.3384 2.3544 2.3544 3.1363 3.1363 3.1409 3.1409 3.8181 3.8181 3.9667 3.9667 4.8764 4.8764 4.8796 4.8796 11.6635 11.6635 11.6708 11.6708 12.5995 12.5995 12.6047 12.6047 13.3614 13.3614 k =-0.5000 0.3095 0.4889 ( 4368 PWs) bands (ev): -13.5723 -13.5723 -13.5451 -13.5451 -10.6355 -10.6355 -10.2918 -10.2918 -8.8593 -8.8593 -8.8227 -8.8227 -2.6953 -2.6953 -2.6567 -2.6567 -2.1207 -2.1207 -1.9004 -1.9004 0.3551 0.3551 0.7447 0.7447 0.7824 0.7824 0.9276 0.9276 1.6946 1.6946 1.8586 1.8586 2.3310 2.3310 2.3546 2.3546 3.1261 3.1261 3.1352 3.1352 3.7823 3.7823 4.0037 4.0037 4.8779 4.8779 4.8825 4.8825 11.6831 11.6831 11.6932 11.6932 12.5921 12.5921 12.5980 12.5980 13.3158 13.3158 k =-0.5000 0.3095 0.4726 ( 4364 PWs) bands (ev): -13.5770 -13.5770 -13.5407 -13.5407 -10.6886 -10.6886 -10.2309 -10.2309 -8.8660 -8.8660 -8.8173 -8.8173 -2.6908 -2.6908 -2.6396 -2.6396 -2.1657 -2.1657 -1.8711 -1.8711 0.2627 0.2627 0.7319 0.7319 0.7828 0.7828 1.0152 1.0152 1.6815 1.6815 1.8920 1.8920 2.3224 2.3224 2.3532 2.3532 3.1118 3.1118 3.1277 3.1277 3.7479 3.7479 4.0400 4.0400 4.8804 4.8804 4.8861 4.8861 11.7113 11.7113 11.7233 11.7233 12.5830 12.5830 12.5878 12.5878 13.2699 13.2699 k =-0.5000 0.3095 0.4563 ( 4360 PWs) bands (ev): -13.5817 -13.5817 -13.5365 -13.5365 -10.7403 -10.7403 -10.1693 -10.1693 -8.8728 -8.8728 -8.8122 -8.8122 -2.6833 -2.6833 -2.6196 -2.6196 -2.2133 -2.2133 -1.8436 -1.8436 0.1728 0.1728 0.7168 0.7168 0.7817 0.7817 1.0944 1.0944 1.6777 1.6777 1.9262 1.9262 2.3127 2.3127 2.3501 2.3501 3.0932 3.0932 3.1189 3.1189 3.7148 3.7148 4.0754 4.0754 4.8840 4.8840 4.8903 4.8903 11.7480 11.7480 11.7606 11.7606 12.5720 12.5720 12.5746 12.5746 13.2242 13.2242 k =-0.5000 0.3095 0.4400 ( 4356 PWs) bands (ev): -13.5863 -13.5863 -13.5323 -13.5323 -10.7906 -10.7906 -10.1071 -10.1071 -8.8798 -8.8798 -8.8074 -8.8074 -2.6727 -2.6727 -2.5966 -2.5966 -2.2636 -2.2636 -1.8179 -1.8179 0.0859 0.0859 0.6994 0.6994 0.7788 0.7788 1.1609 1.1609 1.6873 1.6873 1.9609 1.9609 2.3021 2.3021 2.3455 2.3455 3.0704 3.0704 3.1092 3.1092 3.6835 3.6835 4.1098 4.1098 4.8888 4.8888 4.8951 4.8951 11.7930 11.7930 11.8044 11.8044 12.5556 12.5556 12.5624 12.5624 13.1794 13.1794 k =-0.5000 0.3095 0.4237 ( 4356 PWs) bands (ev): -13.5909 -13.5909 -13.5282 -13.5282 -10.8394 -10.8394 -10.0443 -10.0443 -8.8868 -8.8868 -8.8028 -8.8028 -2.6590 -2.6590 -2.5709 -2.5709 -2.3164 -2.3164 -1.7937 -1.7937 0.0024 0.0024 0.6795 0.6795 0.7742 0.7742 1.2104 1.2104 1.7141 1.7141 1.9959 1.9959 2.2906 2.2906 2.3394 2.3394 3.0436 3.0436 3.0990 3.0990 3.6538 3.6538 4.1430 4.1430 4.8946 4.8946 4.9005 4.9005 11.8461 11.8461 11.8541 11.8541 12.5349 12.5349 12.5508 12.5508 13.1360 13.1360 k =-0.5000 0.3095 0.4074 ( 4362 PWs) bands (ev): -13.5955 -13.5955 -13.5243 -13.5243 -10.8866 -10.8866 -9.9811 -9.9811 -8.8938 -8.8938 -8.7985 -8.7985 -2.6423 -2.6423 -2.5424 -2.5424 -2.3717 -2.3717 -1.7711 -1.7711 -0.0776 -0.0776 0.6568 0.6568 0.7679 0.7679 1.2411 1.2411 1.7597 1.7597 2.0311 2.0311 2.2783 2.2783 2.3320 2.3320 3.0132 3.0132 3.0888 3.0888 3.6259 3.6259 4.1748 4.1748 4.9017 4.9017 4.9064 4.9064 11.9066 11.9066 11.9091 11.9091 12.5111 12.5111 12.5392 12.5392 13.0948 13.0948 k =-0.5000 0.3095 0.3911 ( 4360 PWs) bands (ev): -13.6001 -13.6001 -13.5205 -13.5205 -10.9323 -10.9323 -9.9176 -9.9176 -8.9009 -8.9009 -8.7944 -8.7944 -2.6227 -2.6227 -2.5113 -2.5113 -2.4295 -2.4295 -1.7500 -1.7500 -0.1538 -0.1538 0.6313 0.6313 0.7595 0.7595 1.2550 1.2550 1.8217 1.8217 2.0663 2.0663 2.2653 2.2653 2.3234 2.3234 2.9797 2.9797 3.0787 3.0787 3.5995 3.5995 4.2053 4.2053 4.9099 4.9099 4.9128 4.9128 11.9670 11.9670 11.9755 11.9755 12.4849 12.4849 12.5278 12.5278 13.0568 13.0568 k =-0.5000 0.3095 0.3748 ( 4358 PWs) bands (ev): -13.6045 -13.6045 -13.5168 -13.5168 -10.9764 -10.9764 -9.8539 -9.8539 -8.9079 -8.9079 -8.7906 -8.7906 -2.6001 -2.6001 -2.4898 -2.4898 -2.4775 -2.4775 -1.7302 -1.7302 -0.2259 -0.2259 0.6027 0.6027 0.7492 0.7492 1.2566 1.2566 1.8954 1.8954 2.1014 2.1014 2.2517 2.2517 2.3139 2.3139 2.9436 2.9436 3.0691 3.0691 3.5745 3.5745 4.2342 4.2342 4.9188 4.9188 4.9200 4.9200 12.0282 12.0282 12.0506 12.0506 12.4566 12.4566 12.5169 12.5169 13.0229 13.0229 k =-0.5000 0.3095 0.3585 ( 4354 PWs) bands (ev): -13.6089 -13.6089 -13.5132 -13.5132 -11.0189 -11.0189 -9.7902 -9.7902 -8.9149 -8.9149 -8.7871 -8.7871 -2.5748 -2.5748 -2.5518 -2.5518 -2.4416 -2.4416 -1.7117 -1.7117 -0.2941 -0.2941 0.5710 0.5710 0.7366 0.7366 1.2500 1.2500 1.9761 1.9761 2.1362 2.1362 2.2377 2.2377 2.3038 2.3038 2.9058 2.9058 3.0601 3.0601 3.5508 3.5508 4.2616 4.2616 4.9261 4.9261 4.9303 4.9303 12.0901 12.0901 12.1323 12.1323 12.4269 12.4269 12.5067 12.5067 12.9947 12.9947 k =-0.5000 0.3095 0.3422 ( 4366 PWs) bands (ev): -13.6133 -13.6133 -13.5097 -13.5097 -11.0596 -11.0596 -9.7267 -9.7267 -8.9218 -8.9218 -8.7838 -8.7838 -2.6159 -2.6159 -2.5467 -2.5467 -2.4032 -2.4032 -1.6944 -1.6944 -0.3581 -0.3581 0.5361 0.5361 0.7218 0.7218 1.2385 1.2385 2.0604 2.0604 2.1706 2.1706 2.2233 2.2233 2.2933 2.2933 2.8668 2.8668 3.0517 3.0517 3.5281 3.5281 4.2875 4.2875 4.9334 4.9334 4.9422 4.9422 12.1507 12.1507 12.2199 12.2199 12.3962 12.3962 12.4975 12.4975 12.9740 12.9740 k =-0.5000 0.3095 0.3259 ( 4360 PWs) bands (ev): -13.6175 -13.6175 -13.5064 -13.5064 -11.0987 -11.0987 -9.6636 -9.6636 -8.9287 -8.9287 -8.7808 -8.7808 -2.6814 -2.6814 -2.5159 -2.5159 -2.3627 -2.3627 -1.6783 -1.6783 -0.4179 -0.4179 0.4981 0.4981 0.7044 0.7044 1.2239 1.2239 2.1458 2.1458 2.2039 2.2039 2.2096 2.2096 2.2827 2.2827 2.8272 2.8272 3.0442 3.0442 3.5064 3.5064 4.3117 4.3117 4.9407 4.9407 4.9553 4.9553 12.2072 12.2072 12.3127 12.3127 12.3651 12.3651 12.4894 12.4894 12.9629 12.9629 k =-0.5000 0.3095 0.3096 ( 4346 PWs) bands (ev): -13.6216 -13.6216 -13.5033 -13.5033 -11.1360 -11.1360 -9.6010 -9.6010 -8.9354 -8.9354 -8.7780 -8.7780 -2.7480 -2.7480 -2.4827 -2.4827 -2.3202 -2.3202 -1.6632 -1.6632 -0.4737 -0.4737 0.4568 0.4568 0.6845 0.6845 1.2078 1.2078 2.1939 2.1939 2.2278 2.2278 2.2415 2.2415 2.2724 2.2724 2.7877 2.7877 3.0373 3.0373 3.4854 3.4854 4.3343 4.3343 4.9482 4.9482 4.9697 4.9697 12.2566 12.2566 12.3336 12.3336 12.4104 12.4104 12.4828 12.4828 12.9642 12.9642 k =-0.5000 0.3095 0.2933 ( 4340 PWs) bands (ev): -13.6255 -13.6255 -13.5003 -13.5003 -11.1715 -11.1715 -9.5392 -9.5392 -8.9420 -8.9420 -8.7754 -8.7754 -2.8155 -2.8155 -2.4471 -2.4471 -2.2759 -2.2759 -1.6493 -1.6493 -0.5255 -0.5255 0.4124 0.4124 0.6619 0.6619 1.1908 1.1908 2.1794 2.1794 2.2620 2.2620 2.2695 2.2695 2.3166 2.3166 2.7488 2.7488 3.0312 3.0312 3.4651 3.4651 4.3554 4.3554 4.9557 4.9557 4.9851 4.9851 12.2944 12.2944 12.3043 12.3043 12.4773 12.4773 12.5120 12.5120 12.9801 12.9801 k =-0.5000 0.3095 0.2770 ( 4336 PWs) bands (ev): -13.6294 -13.6294 -13.4974 -13.4974 -11.2053 -11.2053 -9.4783 -9.4783 -8.9484 -8.9484 -8.7731 -8.7731 -2.8833 -2.8833 -2.4092 -2.4092 -2.2299 -2.2299 -1.6363 -1.6363 -0.5734 -0.5734 0.3650 0.3650 0.6367 0.6367 1.1736 1.1736 2.1652 2.1652 2.2532 2.2532 2.3011 2.3011 2.3977 2.3977 2.7109 2.7109 3.0258 3.0258 3.4455 3.4455 4.3749 4.3749 4.9633 4.9633 5.0016 5.0016 12.2715 12.2715 12.3247 12.3247 12.4739 12.4739 12.6161 12.6161 13.0116 13.0116 k =-0.5000 0.3095 0.2607 ( 4340 PWs) bands (ev): -13.6331 -13.6331 -13.4947 -13.4947 -11.2372 -11.2372 -9.4187 -9.4187 -8.9545 -8.9545 -8.7710 -8.7710 -2.9510 -2.9510 -2.3694 -2.3694 -2.1826 -2.1826 -1.6243 -1.6243 -0.6176 -0.6176 0.3150 0.3150 0.6087 0.6087 1.1566 1.1566 2.1514 2.1514 2.2449 2.2449 2.3318 2.3318 2.4761 2.4761 2.6744 2.6744 3.0210 3.0210 3.4266 3.4266 4.3929 4.3929 4.9707 4.9707 5.0190 5.0190 12.2419 12.2419 12.3410 12.3410 12.4723 12.4723 12.7222 12.7222 13.0582 13.0582 k =-0.5000 0.3095 0.2444 ( 4338 PWs) bands (ev): -13.6366 -13.6366 -13.4921 -13.4921 -11.2674 -11.2674 -9.3605 -9.3605 -8.9605 -8.9605 -8.7691 -8.7691 -3.0180 -3.0180 -2.3276 -2.3276 -2.1341 -2.1341 -1.6132 -1.6132 -0.6581 -0.6581 0.2625 0.2625 0.5781 0.5781 1.1400 1.1400 2.1383 2.1383 2.2376 2.2376 2.3612 2.3612 2.5511 2.5511 2.6396 2.6396 3.0167 3.0167 3.4083 3.4083 4.4094 4.4094 4.9780 4.9780 5.0373 5.0373 12.2132 12.2132 12.3475 12.3475 12.4726 12.4726 12.8289 12.8289 13.1174 13.1174 k =-0.5000 0.3095 0.2281 ( 4334 PWs) bands (ev): -13.6400 -13.6400 -13.4897 -13.4897 -11.2956 -11.2956 -9.3040 -9.3040 -8.9662 -8.9662 -8.7674 -8.7674 -3.0840 -3.0840 -2.2843 -2.2843 -2.0848 -2.0848 -1.6030 -1.6030 -0.6952 -0.6952 0.2080 0.2080 0.5450 0.5450 1.1239 1.1239 2.1260 2.1260 2.2313 2.2313 2.3894 2.3894 2.6064 2.6064 2.6226 2.6226 3.0129 3.0129 3.3907 3.3907 4.4244 4.4244 4.9852 4.9852 5.0562 5.0562 12.1858 12.1858 12.3466 12.3466 12.4751 12.4751 12.9345 12.9345 13.1861 13.1861 k =-0.5000 0.3095 0.2118 ( 4334 PWs) bands (ev): -13.6431 -13.6431 -13.4875 -13.4875 -11.3220 -11.3220 -9.2495 -9.2495 -8.9716 -8.9716 -8.7658 -8.7658 -3.1484 -3.1484 -2.2397 -2.2397 -2.0349 -2.0349 -1.5936 -1.5936 -0.7290 -0.7290 0.1518 0.1518 0.5096 0.5096 1.1087 1.1087 2.1146 2.1146 2.2260 2.2260 2.4162 2.4162 2.5757 2.5757 2.6894 2.6894 3.0095 3.0095 3.3738 3.3738 4.4380 4.4380 4.9921 4.9921 5.0755 5.0755 12.1598 12.1598 12.3406 12.3406 12.4797 12.4797 13.0371 13.0371 13.2609 13.2609 k =-0.5000 0.3095 0.1956 ( 4326 PWs) bands (ev): -13.6461 -13.6461 -13.4854 -13.4854 -11.3465 -11.3465 -9.1974 -9.1974 -8.9767 -8.9767 -8.7645 -8.7645 -3.2107 -3.2107 -2.1941 -2.1941 -1.9849 -1.9849 -1.5851 -1.5851 -0.7596 -0.7596 0.0945 0.0945 0.4724 0.4724 1.0943 1.0943 2.1044 2.1044 2.2218 2.2218 2.4415 2.4415 2.5470 2.5470 2.7519 2.7519 3.0065 3.0065 3.3578 3.3578 4.4503 4.4503 4.9987 4.9987 5.0951 5.0951 12.1354 12.1354 12.3315 12.3315 12.4867 12.4867 13.1342 13.1342 13.2583 13.2583 k =-0.5000 0.3095 0.1793 ( 4326 PWs) bands (ev): -13.6489 -13.6489 -13.4835 -13.4835 -11.3690 -11.3690 -9.1478 -9.1478 -8.9815 -8.9815 -8.7633 -8.7633 -3.2703 -3.2703 -2.1479 -2.1479 -1.9352 -1.9352 -1.5773 -1.5773 -0.7872 -0.7872 0.0367 0.0367 0.4338 0.4338 1.0808 1.0808 2.0954 2.0954 2.2186 2.2186 2.4652 2.4652 2.5204 2.5204 2.8097 2.8097 3.0038 3.0038 3.3427 3.3427 4.4613 4.4613 5.0050 5.0050 5.1147 5.1147 12.1127 12.1127 12.3208 12.3208 12.4960 12.4960 13.2228 13.2228 13.2371 13.2371 k =-0.5000 0.3095 0.1630 ( 4326 PWs) bands (ev): -13.6515 -13.6515 -13.4818 -13.4818 -11.3897 -11.3897 -9.1011 -9.1011 -8.9859 -8.9859 -8.7622 -8.7622 -3.3268 -3.3268 -2.1015 -2.1015 -1.8862 -1.8862 -1.5703 -1.5703 -0.8119 -0.8119 -0.0211 -0.0211 0.3943 0.3943 1.0684 1.0684 2.0875 2.0875 2.2162 2.2162 2.4871 2.4871 2.4962 2.4962 2.8627 2.8627 3.0014 3.0014 3.3286 3.3286 4.4710 4.4710 5.0109 5.0109 5.1340 5.1340 12.0917 12.0917 12.3094 12.3094 12.5078 12.5078 13.2159 13.2159 13.3003 13.3003 k =-0.5000 0.3095 0.1467 ( 4328 PWs) bands (ev): -13.6538 -13.6538 -13.4802 -13.4802 -11.4084 -11.4084 -9.0577 -9.0577 -8.9900 -8.9900 -8.7613 -8.7613 -3.3797 -3.3797 -2.0555 -2.0555 -1.8384 -1.8384 -1.5640 -1.5640 -0.8339 -0.8339 -0.0781 -0.0781 0.3545 0.3545 1.0570 1.0570 2.0809 2.0809 2.2146 2.2146 2.4737 2.4737 2.5076 2.5076 2.9108 2.9108 2.9992 2.9992 3.3155 3.3155 4.4796 4.4796 5.0164 5.0164 5.1527 5.1527 12.0726 12.0726 12.2980 12.2980 12.5221 12.5221 13.1956 13.1956 13.3638 13.3638 k =-0.5000 0.3095 0.1304 ( 4326 PWs) bands (ev): -13.6560 -13.6560 -13.4788 -13.4788 -11.4252 -11.4252 -9.0178 -9.0178 -8.9937 -8.9937 -8.7605 -8.7605 -3.4285 -3.4285 -2.0105 -2.0105 -1.7926 -1.7926 -1.5585 -1.5585 -0.8533 -0.8533 -0.1335 -0.1335 0.3152 0.3152 1.0467 1.0467 2.0755 2.0755 2.2136 2.2136 2.4537 2.4537 2.5260 2.5260 2.9538 2.9538 2.9973 2.9973 3.3035 3.3035 4.4871 4.4871 5.0215 5.0215 5.1706 5.1706 12.0553 12.0553 12.2872 12.2872 12.5387 12.5387 13.1762 13.1762 13.3697 13.3697 k =-0.5000 0.3095 0.1141 ( 4326 PWs) bands (ev): -13.6579 -13.6579 -13.4775 -13.4775 -11.4401 -11.4401 -8.9970 -8.9970 -8.9816 -8.9816 -8.7598 -8.7598 -3.4728 -3.4728 -1.9672 -1.9672 -1.7494 -1.7494 -1.5536 -1.5536 -0.8701 -0.8701 -0.1864 -0.1864 0.2772 0.2772 1.0376 1.0376 2.0712 2.0712 2.2131 2.2131 2.4360 2.4360 2.5424 2.5424 2.9916 2.9916 2.9957 2.9957 3.2928 3.2928 4.4936 4.4936 5.0260 5.0260 5.1872 5.1872 12.0400 12.0400 12.2773 12.2773 12.5575 12.5575 13.1582 13.1582 13.3066 13.3066 k =-0.5000 0.3095 0.0978 ( 4318 PWs) bands (ev): -13.6595 -13.6595 -13.4764 -13.4764 -11.4529 -11.4529 -8.9999 -8.9999 -8.9497 -8.9497 -8.7593 -8.7593 -3.5121 -3.5121 -1.9265 -1.9265 -1.7095 -1.7095 -1.5494 -1.5494 -0.8845 -0.8845 -0.2357 -0.2357 0.2415 0.2415 1.0297 1.0297 2.0678 2.0678 2.2130 2.2130 2.4204 2.4204 2.5568 2.5568 2.9939 2.9939 3.0247 3.0247 3.2833 3.2833 4.4991 4.4991 5.0300 5.0300 5.2024 5.2024 12.0268 12.0268 12.2685 12.2685 12.5783 12.5783 13.1418 13.1418 13.2465 13.2465 k =-0.5000 0.3095 0.0815 ( 4326 PWs) bands (ev): -13.6609 -13.6609 -13.4755 -13.4755 -11.4638 -11.4638 -9.0023 -9.0023 -8.9221 -8.9221 -8.7588 -8.7588 -3.5461 -3.5461 -1.8893 -1.8893 -1.6737 -1.6737 -1.5459 -1.5459 -0.8966 -0.8966 -0.2805 -0.2805 0.2090 0.2090 1.0229 1.0229 2.0654 2.0654 2.2132 2.2132 2.4071 2.4071 2.5691 2.5691 2.9926 2.9926 3.0524 3.0524 3.2751 3.2751 4.5036 4.5036 5.0334 5.0334 5.2158 5.2158 12.0155 12.0155 12.2608 12.2608 12.6007 12.6007 13.1271 13.1271 13.1904 13.1904 k =-0.5000 0.3095 0.0652 ( 4344 PWs) bands (ev): -13.6621 -13.6621 -13.4748 -13.4748 -11.4728 -11.4728 -9.0044 -9.0044 -8.8992 -8.8992 -8.7584 -8.7584 -3.5744 -3.5744 -1.8567 -1.8567 -1.6429 -1.6429 -1.5430 -1.5430 -0.9064 -0.9064 -0.3195 -0.3195 0.1806 0.1806 1.0173 1.0173 2.0636 2.0636 2.2135 2.2135 2.3962 2.3962 2.5792 2.5792 2.9915 2.9915 3.0751 3.0751 3.2684 3.2684 4.5072 4.5072 5.0362 5.0362 5.2271 5.2271 12.0062 12.0062 12.2545 12.2545 12.6237 12.6237 13.1136 13.1136 13.1404 13.1404 k =-0.5000 0.3095 0.0489 ( 4336 PWs) bands (ev): -13.6630 -13.6630 -13.4742 -13.4742 -11.4797 -11.4797 -9.0059 -9.0059 -8.8811 -8.8811 -8.7581 -8.7581 -3.5967 -3.5967 -1.8297 -1.8297 -1.6180 -1.6180 -1.5408 -1.5408 -0.9139 -0.9139 -0.3514 -0.3514 0.1574 0.1574 1.0130 1.0130 2.0625 2.0625 2.2138 2.2138 2.3876 2.3876 2.5872 2.5872 2.9907 2.9907 3.0927 3.0927 3.2631 3.2631 4.5100 4.5100 5.0385 5.0385 5.2362 5.2362 11.9990 11.9990 12.2495 12.2495 12.6461 12.6461 13.0897 13.0897 13.1099 13.1099 k =-0.5000 0.3095 0.0326 ( 4328 PWs) bands (ev): -13.6636 -13.6636 -13.4737 -13.4737 -11.4847 -11.4847 -9.0071 -9.0071 -8.8681 -8.8681 -8.7579 -8.7579 -3.6128 -3.6128 -1.8096 -1.8096 -1.5995 -1.5995 -1.5391 -1.5391 -0.9193 -0.9193 -0.3753 -0.3753 0.1401 0.1401 1.0099 1.0099 2.0617 2.0617 2.2141 2.2141 2.3814 2.3814 2.5929 2.5929 2.9901 2.9901 3.1053 3.1053 3.2593 3.2593 4.5120 4.5120 5.0401 5.0401 5.2428 5.2428 11.9939 11.9939 12.2460 12.2460 12.6658 12.6658 13.0560 13.0560 13.1008 13.1008 k =-0.5000 0.3095 0.0163 ( 4326 PWs) bands (ev): -13.6640 -13.6640 -13.4735 -13.4735 -11.4877 -11.4877 -9.0078 -9.0078 -8.8602 -8.8602 -8.7578 -8.7578 -3.6226 -3.6226 -1.7971 -1.7971 -1.5882 -1.5882 -1.5381 -1.5381 -0.9225 -0.9225 -0.3900 -0.3900 0.1294 0.1294 1.0080 1.0080 2.0613 2.0613 2.2144 2.2144 2.3777 2.3777 2.5963 2.5963 2.9897 2.9897 3.1128 3.1128 3.2570 3.2570 4.5132 4.5132 5.0410 5.0410 5.2469 5.2469 11.9908 11.9908 12.2438 12.2438 12.6797 12.6797 13.0326 13.0326 13.0961 13.0961 k =-0.5000 0.3095 0.0000 ( 4318 PWs) bands (ev): -13.6641 -13.6641 -13.4734 -13.4734 -11.4887 -11.4887 -9.0080 -9.0080 -8.8576 -8.8576 -8.7578 -8.7578 -3.6258 -3.6258 -1.7928 -1.7928 -1.5844 -1.5844 -1.5378 -1.5378 -0.9235 -0.9235 -0.3950 -0.3950 0.1258 0.1258 1.0074 1.0074 2.0612 2.0612 2.2144 2.2144 2.3764 2.3764 2.5974 2.5974 2.9896 2.9896 3.1154 3.1154 3.2562 3.2562 4.5136 4.5136 5.0414 5.0414 5.2482 5.2482 11.9897 11.9897 12.2431 12.2431 12.6848 12.6848 13.0244 13.0244 13.0946 13.0946 k = 0.0000 0.0000 0.5378 ( 4372 PWs) bands (ev): -13.6842 -13.6842 -13.6842 -13.6842 -10.0642 -10.0642 -10.0642 -10.0642 -8.8385 -8.8385 -8.8385 -8.8385 -4.1027 -4.1027 -4.1027 -4.1027 -0.6228 -0.6228 -0.6228 -0.6228 -0.1274 -0.1274 -0.1274 -0.1274 0.7109 0.7109 0.7109 0.7109 1.9330 1.9330 1.9330 1.9330 2.4582 2.4582 2.4582 2.4582 3.5213 3.5213 3.5213 3.5213 4.0359 4.0359 4.0359 4.0359 5.2831 5.2831 5.2831 5.2831 11.4142 11.4142 11.4142 11.4142 12.0049 12.0049 12.0049 12.0049 12.8600 12.8600 k =-0.0139 0.0086 0.5378 ( 4372 PWs) bands (ev): -13.6840 -13.6840 -13.6839 -13.6839 -10.0651 -10.0651 -10.0650 -10.0650 -8.8385 -8.8385 -8.8384 -8.8384 -4.1011 -4.1011 -4.1008 -4.1008 -0.6256 -0.6256 -0.6254 -0.6254 -0.1254 -0.1254 -0.1252 -0.1252 0.7120 0.7120 0.7121 0.7121 1.9293 1.9293 1.9296 1.9296 2.4608 2.4608 2.4613 2.4613 3.5204 3.5204 3.5205 3.5205 4.0344 4.0344 4.0346 4.0346 5.2829 5.2829 5.2829 5.2829 11.4137 11.4137 11.4140 11.4140 12.0070 12.0070 12.0077 12.0077 12.8604 12.8604 k =-0.0278 0.0172 0.5378 ( 4368 PWs) bands (ev): -13.6833 -13.6833 -13.6833 -13.6833 -10.0676 -10.0676 -10.0675 -10.0675 -8.8384 -8.8384 -8.8382 -8.8382 -4.0961 -4.0961 -4.0955 -4.0955 -0.6335 -0.6335 -0.6331 -0.6331 -0.1193 -0.1193 -0.1188 -0.1188 0.7154 0.7154 0.7157 0.7157 1.9190 1.9190 1.9196 1.9196 2.4690 2.4690 2.4698 2.4698 3.5179 3.5179 3.5181 3.5181 4.0303 4.0303 4.0307 4.0307 5.2823 5.2823 5.2823 5.2823 11.4128 11.4128 11.4134 11.4134 12.0139 12.0139 12.0152 12.0152 12.8617 12.8617 k =-0.0417 0.0258 0.5378 ( 4356 PWs) bands (ev): -13.6822 -13.6822 -13.6821 -13.6821 -10.0717 -10.0717 -10.0716 -10.0716 -8.8382 -8.8382 -8.8379 -8.8379 -4.0877 -4.0877 -4.0869 -4.0869 -0.6463 -0.6463 -0.6457 -0.6457 -0.1093 -0.1093 -0.1085 -0.1085 0.7212 0.7212 0.7216 0.7216 1.9026 1.9026 1.9035 1.9035 2.4820 2.4820 2.4832 2.4832 3.5137 3.5137 3.5140 3.5140 4.0236 4.0236 4.0243 4.0243 5.2812 5.2812 5.2813 5.2813 11.4116 11.4116 11.4125 11.4125 12.0254 12.0254 12.0274 12.0274 12.8639 12.8639 k =-0.0556 0.0344 0.5378 ( 4346 PWs) bands (ev): -13.6807 -13.6807 -13.6806 -13.6806 -10.0775 -10.0775 -10.0773 -10.0773 -8.8380 -8.8380 -8.8375 -8.8375 -4.0758 -4.0758 -4.0748 -4.0748 -0.6635 -0.6635 -0.6628 -0.6628 -0.0958 -0.0958 -0.0948 -0.0948 0.7292 0.7292 0.7297 0.7297 1.8809 1.8809 1.8820 1.8820 2.4991 2.4991 2.5006 2.5006 3.5079 3.5079 3.5082 3.5082 4.0146 4.0146 4.0154 4.0154 5.2796 5.2796 5.2796 5.2796 11.4102 11.4102 11.4114 11.4114 12.0412 12.0412 12.0438 12.0438 12.8669 12.8669 k =-0.0694 0.0430 0.5378 ( 4342 PWs) bands (ev): -13.6787 -13.6787 -13.6786 -13.6786 -10.0848 -10.0848 -10.0846 -10.0846 -8.8376 -8.8376 -8.8370 -8.8370 -4.0607 -4.0607 -4.0594 -4.0594 -0.6847 -0.6847 -0.6839 -0.6839 -0.0792 -0.0792 -0.0781 -0.0781 0.7394 0.7394 0.7401 0.7401 1.8548 1.8548 1.8561 1.8561 2.5193 2.5193 2.5210 2.5210 3.5004 3.5004 3.5008 3.5008 4.0034 4.0034 4.0045 4.0045 5.2773 5.2773 5.2773 5.2773 11.4090 11.4090 11.4104 11.4104 12.0608 12.0608 12.0640 12.0640 12.8708 12.8708 k =-0.0833 0.0516 0.5378 ( 4342 PWs) bands (ev): -13.6764 -13.6764 -13.6762 -13.6762 -10.0935 -10.0935 -10.0933 -10.0933 -8.8372 -8.8372 -8.8365 -8.8365 -4.0422 -4.0422 -4.0406 -4.0406 -0.7094 -0.7094 -0.7084 -0.7084 -0.0601 -0.0601 -0.0589 -0.0589 0.7517 0.7517 0.7525 0.7525 1.8250 1.8250 1.8265 1.8265 2.5418 2.5418 2.5438 2.5438 3.4913 3.4913 3.4917 3.4917 3.9904 3.9904 3.9916 3.9916 5.2742 5.2742 5.2742 5.2742 11.4083 11.4083 11.4098 11.4098 12.0839 12.0839 12.0877 12.0877 12.8754 12.8755 k =-0.0972 0.0602 0.5378 ( 4342 PWs) bands (ev): -13.6736 -13.6736 -13.6734 -13.6734 -10.1036 -10.1036 -10.1034 -10.1034 -8.8368 -8.8368 -8.8360 -8.8360 -4.0205 -4.0205 -4.0187 -4.0187 -0.7371 -0.7371 -0.7361 -0.7361 -0.0389 -0.0389 -0.0375 -0.0375 0.7660 0.7660 0.7670 0.7670 1.7924 1.7924 1.7939 1.7939 2.5659 2.5659 2.5680 2.5680 3.4805 3.4805 3.4811 3.4811 3.9758 3.9758 3.9773 3.9773 5.2702 5.2702 5.2702 5.2702 11.4083 11.4083 11.4100 11.4100 12.1100 12.1100 12.1144 12.1144 12.8809 12.8809 k =-0.1111 0.0688 0.5378 ( 4346 PWs) bands (ev): -13.6705 -13.6705 -13.6703 -13.6703 -10.1150 -10.1150 -10.1147 -10.1147 -8.8363 -8.8363 -8.8354 -8.8354 -3.9956 -3.9956 -3.9935 -3.9935 -0.7676 -0.7676 -0.7665 -0.7665 -0.0157 -0.0157 -0.0143 -0.0143 0.7823 0.7823 0.7834 0.7834 1.7573 1.7573 1.7590 1.7590 2.5908 2.5908 2.5931 2.5931 3.4682 3.4682 3.4688 3.4688 3.9601 3.9601 3.9618 3.9618 5.2650 5.2650 5.2651 5.2651 11.4091 11.4091 11.4110 11.4110 12.1387 12.1387 12.1436 12.1436 12.8870 12.8870 k =-0.1250 0.0774 0.5378 ( 4346 PWs) bands (ev): -13.6670 -13.6670 -13.6668 -13.6668 -10.1276 -10.1276 -10.1273 -10.1273 -8.8359 -8.8359 -8.8349 -8.8349 -3.9675 -3.9675 -3.9653 -3.9653 -0.8005 -0.8005 -0.7992 -0.7992 0.0089 0.0089 0.0105 0.0105 0.8005 0.8005 0.8017 0.8017 1.7204 1.7204 1.7222 1.7222 2.6160 2.6160 2.6184 2.6184 3.4543 3.4543 3.4550 3.4550 3.9437 3.9437 3.9456 3.9456 5.2588 5.2588 5.2589 5.2589 11.4111 11.4111 11.4130 11.4130 12.1694 12.1694 12.1748 12.1748 12.8939 12.8939 k =-0.1389 0.0860 0.5378 ( 4340 PWs) bands (ev): -13.6631 -13.6631 -13.6629 -13.6629 -10.1413 -10.1413 -10.1409 -10.1409 -8.8354 -8.8354 -8.8344 -8.8344 -3.9365 -3.9365 -3.9340 -3.9340 -0.8355 -0.8355 -0.8342 -0.8342 0.0350 0.0350 0.0365 0.0365 0.8204 0.8204 0.8217 0.8217 1.6820 1.6820 1.6838 1.6838 2.6410 2.6410 2.6436 2.6436 3.4390 3.4390 3.4398 3.4398 3.9269 3.9269 3.9289 3.9289 5.2512 5.2512 5.2514 5.2514 11.4143 11.4143 11.4163 11.4163 12.2017 12.2017 12.2077 12.2077 12.9016 12.9016 k =-0.1528 0.0946 0.5378 ( 4348 PWs) bands (ev): -13.6590 -13.6590 -13.6587 -13.6587 -10.1559 -10.1559 -10.1555 -10.1555 -8.8350 -8.8350 -8.8339 -8.8339 -3.9025 -3.9025 -3.8998 -3.8998 -0.8725 -0.8725 -0.8711 -0.8711 0.0620 0.0620 0.0636 0.0636 0.8420 0.8420 0.8434 0.8434 1.6424 1.6424 1.6443 1.6443 2.6653 2.6653 2.6680 2.6680 3.4223 3.4223 3.4231 3.4231 3.9100 3.9100 3.9122 3.9122 5.2423 5.2423 5.2426 5.2426 11.4188 11.4188 11.4208 11.4208 12.2351 12.2351 12.2417 12.2417 12.9102 12.9102 k =-0.1667 0.1032 0.5378 ( 4344 PWs) bands (ev): -13.6545 -13.6545 -13.6543 -13.6543 -10.1713 -10.1713 -10.1709 -10.1709 -8.8347 -8.8347 -8.8335 -8.8335 -3.8657 -3.8657 -3.8628 -3.8628 -0.9114 -0.9114 -0.9099 -0.9099 0.0900 0.0900 0.0917 0.0917 0.8651 0.8651 0.8666 0.8666 1.6020 1.6020 1.6040 1.6040 2.6884 2.6884 2.6913 2.6913 3.4044 3.4044 3.4053 3.4053 3.8935 3.8935 3.8958 3.8958 5.2320 5.2320 5.2323 5.2323 11.4245 11.4245 11.4266 11.4266 12.2692 12.2692 12.2763 12.2763 12.9197 12.9197 k =-0.1806 0.1118 0.5378 ( 4342 PWs) bands (ev): -13.6498 -13.6498 -13.6496 -13.6496 -10.1874 -10.1874 -10.1870 -10.1870 -8.8344 -8.8344 -8.8332 -8.8332 -3.8262 -3.8262 -3.8231 -3.8231 -0.9519 -0.9519 -0.9503 -0.9503 0.1187 0.1187 0.1204 0.1204 0.8897 0.8897 0.8913 0.8913 1.5611 1.5611 1.5632 1.5632 2.7099 2.7099 2.7129 2.7129 3.3855 3.3855 3.3865 3.3865 3.8777 3.8777 3.8801 3.8801 5.2203 5.2203 5.2207 5.2207 11.4316 11.4316 11.4337 11.4337 12.3035 12.3035 12.3112 12.3112 12.9305 12.9305 k =-0.1944 0.1203 0.5378 ( 4344 PWs) bands (ev): -13.6449 -13.6449 -13.6447 -13.6447 -10.2041 -10.2041 -10.2037 -10.2037 -8.8342 -8.8342 -8.8329 -8.8329 -3.7840 -3.7840 -3.7808 -3.7808 -0.9940 -0.9940 -0.9924 -0.9924 0.1480 0.1480 0.1496 0.1496 0.9155 0.9155 0.9173 0.9173 1.5201 1.5201 1.5223 1.5223 2.7293 2.7293 2.7325 2.7325 3.3658 3.3658 3.3668 3.3668 3.8629 3.8629 3.8653 3.8653 5.2072 5.2072 5.2077 5.2077 11.4398 11.4398 11.4420 11.4420 12.3375 12.3375 12.3457 12.3457 12.9427 12.9427 k =-0.2083 0.1289 0.5378 ( 4340 PWs) bands (ev): -13.6398 -13.6398 -13.6395 -13.6395 -10.2212 -10.2212 -10.2207 -10.2207 -8.8340 -8.8340 -8.8328 -8.8328 -3.7394 -3.7394 -3.7360 -3.7360 -1.0376 -1.0376 -1.0359 -1.0359 0.1776 0.1776 0.1792 0.1792 0.9424 0.9424 0.9444 0.9444 1.4793 1.4793 1.4816 1.4816 2.7461 2.7461 2.7494 2.7494 3.3455 3.3455 3.3467 3.3467 3.8494 3.8494 3.8519 3.8519 5.1928 5.1928 5.1934 5.1934 11.4491 11.4491 11.4514 11.4514 12.3706 12.3706 12.3793 12.3793 12.9566 12.9566 k =-0.2222 0.1375 0.5378 ( 4336 PWs) bands (ev): -13.6346 -13.6346 -13.6343 -13.6343 -10.2386 -10.2386 -10.2381 -10.2381 -8.8340 -8.8340 -8.8327 -8.8327 -3.6924 -3.6924 -3.6889 -3.6889 -1.0827 -1.0827 -1.0809 -1.0809 0.2073 0.2073 0.2090 0.2090 0.9701 0.9701 0.9722 0.9722 1.4394 1.4394 1.4418 1.4418 2.7598 2.7598 2.7631 2.7631 3.3251 3.3251 3.3264 3.3264 3.8375 3.8375 3.8400 3.8400 5.1771 5.1771 5.1779 5.1779 11.4595 11.4595 11.4618 11.4618 12.4024 12.4024 12.4115 12.4115 12.9727 12.9727 k =-0.2361 0.1461 0.5378 ( 4332 PWs) bands (ev): -13.6292 -13.6292 -13.6289 -13.6289 -10.2561 -10.2561 -10.2557 -10.2557 -8.8340 -8.8340 -8.8327 -8.8327 -3.6432 -3.6432 -3.6396 -3.6396 -1.1291 -1.1291 -1.1272 -1.1272 0.2371 0.2371 0.2388 0.2388 0.9980 0.9980 1.0003 1.0003 1.4009 1.4009 1.4035 1.4035 2.7697 2.7697 2.7732 2.7732 3.3048 3.3048 3.3064 3.3064 3.8274 3.8274 3.8299 3.8299 5.1604 5.1604 5.1612 5.1612 11.4707 11.4707 11.4730 11.4730 12.4322 12.4322 12.4418 12.4418 12.9912 12.9912 k =-0.2500 0.1547 0.5378 ( 4328 PWs) bands (ev): -13.6237 -13.6237 -13.6235 -13.6235 -10.2736 -10.2736 -10.2732 -10.2732 -8.8341 -8.8341 -8.8328 -8.8328 -3.5920 -3.5920 -3.5883 -3.5883 -1.1768 -1.1768 -1.1748 -1.1748 0.2666 0.2666 0.2684 0.2684 1.0251 1.0251 1.0277 1.0277 1.3652 1.3652 1.3679 1.3679 2.7754 2.7754 2.7790 2.7790 3.2852 3.2852 3.2869 3.2869 3.8192 3.8192 3.8217 3.8217 5.1426 5.1426 5.1435 5.1435 11.4826 11.4826 11.4850 11.4850 12.4597 12.4597 12.4696 12.4696 13.0126 13.0126 k =-0.2639 0.1633 0.5378 ( 4332 PWs) bands (ev): -13.6183 -13.6183 -13.6180 -13.6180 -10.2911 -10.2911 -10.2907 -10.2907 -8.8343 -8.8343 -8.8331 -8.8331 -3.5389 -3.5389 -3.5351 -3.5351 -1.2257 -1.2257 -1.2236 -1.2236 0.2959 0.2959 0.2977 0.2977 1.0497 1.0497 1.0526 1.0526 1.3340 1.3340 1.3369 1.3369 2.7764 2.7764 2.7800 2.7800 3.2666 3.2666 3.2685 3.2685 3.8133 3.8133 3.8157 3.8157 5.1239 5.1239 5.1249 5.1249 11.4951 11.4951 11.4975 11.4975 12.4844 12.4844 12.4945 12.4945 13.0370 13.0370 k =-0.2778 0.1719 0.5378 ( 4328 PWs) bands (ev): -13.6128 -13.6128 -13.6125 -13.6125 -10.3083 -10.3083 -10.3079 -10.3079 -8.8345 -8.8345 -8.8334 -8.8334 -3.4840 -3.4840 -3.4802 -3.4802 -1.2758 -1.2758 -1.2736 -1.2736 0.3247 0.3247 0.3265 0.3265 1.0687 1.0687 1.0719 1.0719 1.3107 1.3107 1.3138 1.3138 2.7723 2.7723 2.7759 2.7759 3.2494 3.2494 3.2514 3.2514 3.8095 3.8095 3.8118 3.8118 5.1045 5.1045 5.1056 5.1056 11.5080 11.5080 11.5103 11.5103 12.5061 12.5061 12.5164 12.5164 13.0645 13.0645 k =-0.2917 0.1805 0.5378 ( 4332 PWs) bands (ev): -13.6074 -13.6074 -13.6071 -13.6071 -10.3252 -10.3252 -10.3248 -10.3248 -8.8349 -8.8349 -8.8337 -8.8337 -3.4277 -3.4277 -3.4237 -3.4237 -1.3269 -1.3269 -1.3247 -1.3247 0.3528 0.3528 0.3546 0.3546 1.0777 1.0777 1.0812 1.0812 1.3000 1.3000 1.3030 1.3030 2.7629 2.7629 2.7665 2.7665 3.2338 3.2338 3.2360 3.2360 3.8079 3.8079 3.8101 3.8101 5.0847 5.0847 5.0858 5.0858 11.5211 11.5211 11.5235 11.5235 12.5249 12.5249 12.5352 12.5352 13.0949 13.0949 k =-0.3056 0.1891 0.5378 ( 4332 PWs) bands (ev): -13.6020 -13.6020 -13.6017 -13.6017 -10.3416 -10.3416 -10.3412 -10.3412 -8.8353 -8.8353 -8.8342 -8.8342 -3.3699 -3.3699 -3.3660 -3.3660 -1.3791 -1.3791 -1.3768 -1.3768 0.3802 0.3802 0.3821 0.3821 1.0736 1.0736 1.0769 1.0769 1.3052 1.3052 1.3079 1.3079 2.7483 2.7483 2.7517 2.7517 3.2200 3.2200 3.2222 3.2222 3.8085 3.8085 3.8106 3.8106 5.0645 5.0645 5.0657 5.0657 11.5342 11.5342 11.5366 11.5366 12.5407 12.5407 12.5509 12.5509 13.1280 13.1280 k =-0.3194 0.1977 0.5378 ( 4324 PWs) bands (ev): -13.5968 -13.5968 -13.5966 -13.5966 -10.3574 -10.3574 -10.3570 -10.3570 -8.8357 -8.8357 -8.8347 -8.8347 -3.3111 -3.3111 -3.3071 -3.3071 -1.4322 -1.4322 -1.4298 -1.4298 0.4068 0.4068 0.4087 0.4087 1.0575 1.0575 1.0605 1.0605 1.3251 1.3251 1.3273 1.3273 2.7285 2.7285 2.7318 2.7318 3.2079 3.2079 3.2102 3.2102 3.8111 3.8111 3.8131 3.8131 5.0443 5.0443 5.0455 5.0455 11.5473 11.5473 11.5497 11.5497 12.5538 12.5538 12.5638 12.5638 13.1631 13.1631 k =-0.3333 0.2063 0.5378 ( 4324 PWs) bands (ev): -13.5918 -13.5918 -13.5915 -13.5915 -10.3725 -10.3725 -10.3721 -10.3721 -8.8362 -8.8362 -8.8352 -8.8352 -3.2514 -3.2514 -3.2475 -3.2475 -1.4860 -1.4860 -1.4835 -1.4835 0.4324 0.4324 0.4343 0.4343 1.0339 1.0339 1.0366 1.0366 1.3551 1.3551 1.3569 1.3569 2.7041 2.7041 2.7072 2.7072 3.1974 3.1974 3.1996 3.1996 3.8156 3.8156 3.8175 3.8175 5.0242 5.0242 5.0254 5.0254 11.5602 11.5602 11.5625 11.5625 12.5645 12.5645 12.5743 12.5743 13.1995 13.1995 k =-0.3472 0.2149 0.5378 ( 4328 PWs) bands (ev): -13.5870 -13.5870 -13.5867 -13.5867 -10.3868 -10.3868 -10.3865 -10.3865 -8.8367 -8.8367 -8.8358 -8.8358 -3.1912 -3.1912 -3.1872 -3.1872 -1.5404 -1.5404 -1.5379 -1.5379 0.4571 0.4571 0.4591 0.4591 1.0063 1.0063 1.0090 1.0090 1.3914 1.3914 1.3930 1.3930 2.6755 2.6755 2.6785 2.6785 3.1883 3.1883 3.1905 3.1905 3.8216 3.8216 3.8233 3.8233 5.0044 5.0044 5.0056 5.0056 11.5726 11.5726 11.5750 11.5750 12.5732 12.5732 12.5826 12.5826 13.2364 13.2364 k =-0.3611 0.2235 0.5378 ( 4330 PWs) bands (ev): -13.5824 -13.5824 -13.5822 -13.5822 -10.4002 -10.4002 -10.3999 -10.3999 -8.8372 -8.8372 -8.8363 -8.8363 -3.1307 -3.1307 -3.1268 -3.1268 -1.5952 -1.5952 -1.5926 -1.5926 0.4808 0.4808 0.4828 0.4828 0.9773 0.9773 0.9799 0.9799 1.4314 1.4314 1.4329 1.4329 2.6435 2.6435 2.6463 2.6463 3.1804 3.1804 3.1824 3.1824 3.8288 3.8288 3.8304 3.8304 4.9852 4.9852 4.9864 4.9864 11.5846 11.5846 11.5868 11.5868 12.5803 12.5803 12.5892 12.5892 13.2727 13.2727 k =-0.3750 0.2321 0.5378 ( 4350 PWs) bands (ev): -13.5782 -13.5782 -13.5780 -13.5780 -10.4126 -10.4126 -10.4123 -10.4123 -8.8377 -8.8377 -8.8369 -8.8369 -3.0704 -3.0704 -3.0665 -3.0665 -1.6500 -1.6500 -1.6474 -1.6474 0.5035 0.5035 0.5055 0.5055 0.9481 0.9481 0.9506 0.9506 1.4737 1.4737 1.4751 1.4751 2.6087 2.6087 2.6113 2.6113 3.1734 3.1734 3.1754 3.1754 3.8369 3.8369 3.8384 3.8384 4.9669 4.9669 4.9680 4.9680 11.5959 11.5959 11.5980 11.5980 12.5861 12.5861 12.5944 12.5944 13.3076 13.3076 k =-0.3889 0.2407 0.5378 ( 4354 PWs) bands (ev): -13.5743 -13.5743 -13.5741 -13.5741 -10.4240 -10.4240 -10.4237 -10.4237 -8.8381 -8.8381 -8.8374 -8.8374 -3.0107 -3.0107 -3.0070 -3.0070 -1.7044 -1.7044 -1.7018 -1.7018 0.5251 0.5251 0.5272 0.5272 0.9196 0.9196 0.9220 0.9220 1.5172 1.5172 1.5186 1.5186 2.5720 2.5720 2.5744 2.5744 3.1674 3.1674 3.1691 3.1691 3.8456 3.8456 3.8470 3.8470 4.9496 4.9496 4.9507 4.9507 11.6064 11.6064 11.6084 11.6084 12.5907 12.5907 12.5984 12.5984 13.3399 13.3399 k =-0.4028 0.2493 0.5378 ( 4358 PWs) bands (ev): -13.5707 -13.5707 -13.5706 -13.5706 -10.4342 -10.4342 -10.4339 -10.4339 -8.8386 -8.8386 -8.8380 -8.8380 -2.9523 -2.9523 -2.9487 -2.9487 -1.7580 -1.7580 -1.7554 -1.7554 0.5458 0.5458 0.5478 0.5478 0.8921 0.8921 0.8945 0.8945 1.5609 1.5609 1.5623 1.5623 2.5341 2.5341 2.5363 2.5363 3.1621 3.1621 3.1637 3.1637 3.8544 3.8544 3.8556 3.8556 4.9336 4.9336 4.9346 4.9346 11.6160 11.6160 11.6178 11.6178 12.5946 12.5946 12.6015 12.6015 13.3686 13.3686 k =-0.4167 0.2579 0.5378 ( 4350 PWs) bands (ev): -13.5676 -13.5676 -13.5674 -13.5674 -10.4432 -10.4432 -10.4430 -10.4430 -8.8390 -8.8390 -8.8385 -8.8385 -2.8960 -2.8960 -2.8926 -2.8926 -1.8099 -1.8099 -1.8074 -1.8074 0.5654 0.5654 0.5674 0.5674 0.8662 0.8662 0.8685 0.8685 1.6039 1.6039 1.6053 1.6053 2.4961 2.4961 2.4981 2.4981 3.1575 3.1575 3.1589 3.1589 3.8630 3.8630 3.8640 3.8640 4.9192 4.9192 4.9201 4.9201 11.6246 11.6246 11.6262 11.6262 12.5978 12.5978 12.6039 12.6039 13.3929 13.3929 k =-0.4306 0.2665 0.5378 ( 4358 PWs) bands (ev): -13.5649 -13.5649 -13.5647 -13.5647 -10.4509 -10.4509 -10.4507 -10.4507 -8.8393 -8.8393 -8.8389 -8.8389 -2.8428 -2.8428 -2.8397 -2.8397 -1.8591 -1.8591 -1.8567 -1.8567 0.5839 0.5839 0.5859 0.5859 0.8420 0.8420 0.8443 0.8443 1.6451 1.6451 1.6464 1.6464 2.4591 2.4591 2.4609 2.4609 3.1537 3.1537 3.1548 3.1548 3.8709 3.8709 3.8718 3.8718 4.9065 4.9065 4.9073 4.9073 11.6321 11.6321 11.6335 11.6335 12.6005 12.6005 12.6057 12.6057 13.4124 13.4124 k =-0.4444 0.2751 0.5378 ( 4372 PWs) bands (ev): -13.5626 -13.5626 -13.5625 -13.5625 -10.4572 -10.4572 -10.4571 -10.4571 -8.8396 -8.8396 -8.8393 -8.8393 -2.7943 -2.7943 -2.7915 -2.7915 -1.9042 -1.9042 -1.9020 -1.9020 0.6011 0.6011 0.6030 0.6030 0.8200 0.8200 0.8221 0.8221 1.6831 1.6831 1.6843 1.6843 2.4245 2.4245 2.4261 2.4261 3.1505 3.1505 3.1514 3.1514 3.8780 3.8780 3.8787 3.8787 4.8958 4.8958 4.8965 4.8965 11.6383 11.6383 11.6395 11.6395 12.6027 12.6027 12.6069 12.6069 13.4270 13.4270 k =-0.4583 0.2837 0.5378 ( 4372 PWs) bands (ev): -13.5608 -13.5608 -13.5608 -13.5608 -10.4622 -10.4622 -10.4621 -10.4621 -8.8399 -8.8399 -8.8396 -8.8396 -2.7523 -2.7523 -2.7500 -2.7500 -1.9433 -1.9433 -1.9415 -1.9415 0.6166 0.6166 0.6183 0.6183 0.8007 0.8007 0.8026 0.8026 1.7162 1.7162 1.7172 1.7172 2.3942 2.3942 2.3954 2.3954 3.1480 3.1480 3.1487 3.1487 3.8838 3.8838 3.8844 3.8844 4.8873 4.8873 4.8878 4.8878 11.6433 11.6433 11.6443 11.6443 12.6045 12.6045 12.6077 12.6077 13.4373 13.4373 k =-0.4722 0.2923 0.5378 ( 4372 PWs) bands (ev): -13.5595 -13.5595 -13.5595 -13.5595 -10.4658 -10.4658 -10.4657 -10.4657 -8.8400 -8.8400 -8.8398 -8.8398 -2.7192 -2.7192 -2.7176 -2.7176 -1.9740 -1.9740 -1.9727 -1.9727 0.6296 0.6296 0.6310 0.6310 0.7852 0.7852 0.7867 0.7867 1.7424 1.7424 1.7431 1.7431 2.3701 2.3701 2.3710 2.3710 3.1463 3.1463 3.1467 3.1467 3.8882 3.8882 3.8885 3.8885 4.8811 4.8811 4.8815 4.8815 11.6470 11.6470 11.6476 11.6476 12.6060 12.6060 12.6081 12.6081 13.4441 13.4441 k =-0.4861 0.3009 0.5378 ( 4372 PWs) bands (ev): -13.5588 -13.5588 -13.5587 -13.5587 -10.4680 -10.4680 -10.4679 -10.4679 -8.8401 -8.8401 -8.8400 -8.8400 -2.6977 -2.6977 -2.6968 -2.6968 -1.9938 -1.9938 -1.9931 -1.9931 0.6389 0.6389 0.6396 0.6396 0.7748 0.7748 0.7757 0.7757 1.7594 1.7594 1.7597 1.7597 2.3545 2.3545 2.3550 2.3550 3.1452 3.1452 3.1455 3.1455 3.8909 3.8909 3.8911 3.8911 4.8774 4.8774 4.8776 4.8776 11.6493 11.6493 11.6496 11.6496 12.6071 12.6071 12.6082 12.6082 13.4480 13.4480 k =-0.5000 0.3095 0.5378 ( 4376 PWs) bands (ev): -13.5585 -13.5585 -13.5585 -13.5585 -10.4687 -10.4687 -10.4687 -10.4687 -8.8401 -8.8401 -8.8401 -8.8401 -2.6899 -2.6899 -2.6899 -2.6899 -2.0004 -2.0004 -2.0004 -2.0004 0.6425 0.6425 0.6425 0.6425 0.7714 0.7714 0.7714 0.7714 1.7654 1.7654 1.7654 1.7654 2.3493 2.3493 2.3493 2.3493 3.1450 3.1450 3.1450 3.1450 3.8919 3.8919 3.8919 3.8919 4.8762 4.8762 4.8762 4.8762 11.6502 11.6502 11.6502 11.6502 12.6078 12.6078 12.6078 12.6078 13.4497 13.4497 Writing output data file Si2N2O.save init_run : 2.62s CPU 13.36s WALL ( 1 calls) electrons : 1248.67s CPU 1260.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 1.40s WALL ( 1 calls) Called by electrons: c_bands : 1248.61s CPU 1259.88s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.55s WALL ( 1 calls) newd : 0.50s CPU 0.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.31s WALL ( 374 calls) cegterg : 1194.98s CPU 1203.47s WALL ( 1249 calls) Called by sum_band: Called by *egterg: h_psi : 424.86s CPU 440.10s WALL ( 23806 calls) s_psi : 66.61s CPU 66.96s WALL ( 23806 calls) g_psi : 0.99s CPU 1.04s WALL ( 22183 calls) cdiaghg : 542.75s CPU 537.21s WALL ( 22557 calls) cegterg:over : 89.26s CPU 85.19s WALL ( 22183 calls) cegterg:upda : 18.81s CPU 24.92s WALL ( 22183 calls) cegterg:last : 15.61s CPU 16.62s WALL ( 2755 calls) Called by h_psi: h_psi:vloc : 286.09s CPU 297.48s WALL ( 23806 calls) h_psi:vnl : 138.42s CPU 141.48s WALL ( 23806 calls) add_vuspsi : 49.63s CPU 56.52s WALL ( 23806 calls) General routines calbec : 88.71s CPU 84.72s WALL ( 23806 calls) fft : 0.28s CPU 1.11s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 268.72s CPU 275.99s WALL ( 1824300 calls) interpolate : 0.05s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 1.25s WALL ( 748 calls) Parallel routines fft_scatter : 166.76s CPU 173.25s WALL ( 1824323 calls) PWSCF : 21m51.83s CPU 23m19.53s WALL This run was terminated on: 16: 2:15 29Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=