Program PWSCF v.5.1.1 starts on 5Dec2015 at 4:20:37 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 1626 715 111 Max 47 28 8 1631 725 116 Sum 2239 1303 379 78195 34641 5459 bravais-lattice index = 14 lattice parameter (alat) = 9.8492 a.u. unit-cell volume = 793.2611 (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)= 9.849179 celldm(2)= 1.000000 celldm(3)= 0.927770 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.446261 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.446261 0.894903 0.000000 ) a(3) = ( 0.000000 0.000000 0.927770 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.498670 -0.000000 ) b(2) = ( 0.000000 1.117440 -0.000000 ) b(3) = ( 0.000000 0.000000 1.077854 ) 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 ) ( 0.4638849 ) 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) = ( 0.0086430 0.0139680 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172860 0.0279360 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259289 0.0419040 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345719 0.0558720 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0432149 0.0698400 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518579 0.0838080 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0605008 0.0977760 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691438 0.1117440 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777868 0.1257120 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0864298 0.1396800 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0950727 0.1536480 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1037157 0.1676160 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1123587 0.1815840 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1210017 0.1955520 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1296446 0.2095200 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1382876 0.2234880 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1469306 0.2374559 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1555736 0.2514240 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1642165 0.2653920 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1728595 0.2793599 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1815025 0.2933279 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1901455 0.3072959 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1987885 0.3212639 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2074314 0.3352319 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2160744 0.3491999 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2247174 0.3631679 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2333603 0.3771359 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2420033 0.3911039 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2506463 0.4050719 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2592893 0.4190399 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2679323 0.4330079 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2765752 0.4469759 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2852182 0.4609439 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2938612 0.4749119 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3025042 0.4888799 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3111471 0.5028479 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3197901 0.5168159 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3284331 0.5307839 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3370761 0.5447519 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3457190 0.5587199 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3457190 0.5587199 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3292562 0.5587199 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3127934 0.5587199 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2963306 0.5587199 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2798678 0.5587199 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2634050 0.5587199 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2469422 0.5587199 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2304794 0.5587199 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2140165 0.5587199 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1975537 0.5587199 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1810909 0.5587199 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1646281 0.5587199 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1481653 0.5587199 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1317025 0.5587199 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1152397 0.5587199 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987769 0.5587199 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0823141 0.5587199 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658513 0.5587199 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493884 0.5587199 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329256 0.5587199 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164628 0.5587199 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5587199 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5587199 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5587199 0.0163311), wk = 0.0026738 k( 66) = ( 0.0000000 0.5587199 0.0326622), wk = 0.0026738 k( 67) = ( 0.0000000 0.5587199 0.0489934), wk = 0.0026738 k( 68) = ( 0.0000000 0.5587199 0.0653245), wk = 0.0026738 k( 69) = ( 0.0000000 0.5587199 0.0816556), wk = 0.0026738 k( 70) = ( 0.0000000 0.5587199 0.0979867), wk = 0.0026738 k( 71) = ( 0.0000000 0.5587199 0.1143178), wk = 0.0026738 k( 72) = ( 0.0000000 0.5587199 0.1306489), wk = 0.0026738 k( 73) = ( 0.0000000 0.5587199 0.1469801), wk = 0.0026738 k( 74) = ( 0.0000000 0.5587199 0.1633112), wk = 0.0026738 k( 75) = ( 0.0000000 0.5587199 0.1796423), wk = 0.0026738 k( 76) = ( 0.0000000 0.5587199 0.1959734), wk = 0.0026738 k( 77) = ( 0.0000000 0.5587199 0.2123045), wk = 0.0026738 k( 78) = ( 0.0000000 0.5587199 0.2286356), wk = 0.0026738 k( 79) = ( 0.0000000 0.5587199 0.2449667), wk = 0.0026738 k( 80) = ( 0.0000000 0.5587199 0.2612979), wk = 0.0026738 k( 81) = ( 0.0000000 0.5587199 0.2776290), wk = 0.0026738 k( 82) = ( 0.0000000 0.5587199 0.2939601), wk = 0.0026738 k( 83) = ( 0.0000000 0.5587199 0.3102912), wk = 0.0026738 k( 84) = ( 0.0000000 0.5587199 0.3266223), wk = 0.0026738 k( 85) = ( 0.0000000 0.5587199 0.3429534), wk = 0.0026738 k( 86) = ( 0.0000000 0.5587199 0.3592846), wk = 0.0026738 k( 87) = ( 0.0000000 0.5587199 0.3756157), wk = 0.0026738 k( 88) = ( 0.0000000 0.5587199 0.3919468), wk = 0.0026738 k( 89) = ( 0.0000000 0.5587199 0.4082779), wk = 0.0026738 k( 90) = ( 0.0000000 0.5587199 0.4246090), wk = 0.0026738 k( 91) = ( 0.0000000 0.5587199 0.4409401), wk = 0.0026738 k( 92) = ( 0.0000000 0.5587199 0.4572713), wk = 0.0026738 k( 93) = ( 0.0000000 0.5587199 0.4736024), wk = 0.0026738 k( 94) = ( 0.0000000 0.5587199 0.4899335), wk = 0.0026738 k( 95) = ( 0.0000000 0.5587199 0.5062646), wk = 0.0026738 k( 96) = ( 0.0000000 0.5587199 0.5225957), wk = 0.0026738 k( 97) = ( 0.0000000 0.5587199 0.5389268), wk = 0.0026738 k( 98) = ( 0.0000000 0.5587199 0.5389268), wk = 0.0026738 k( 99) = ( 0.0164628 0.5587199 0.5389268), wk = 0.0026738 k( 100) = ( 0.0329256 0.5587199 0.5389268), wk = 0.0026738 k( 101) = ( 0.0493884 0.5587199 0.5389268), wk = 0.0026738 k( 102) = ( 0.0658513 0.5587199 0.5389268), wk = 0.0026738 k( 103) = ( 0.0823141 0.5587199 0.5389268), wk = 0.0026738 k( 104) = ( 0.0987769 0.5587199 0.5389268), wk = 0.0026738 k( 105) = ( 0.1152397 0.5587199 0.5389268), wk = 0.0026738 k( 106) = ( 0.1317025 0.5587199 0.5389268), wk = 0.0026738 k( 107) = ( 0.1481653 0.5587199 0.5389268), wk = 0.0026738 k( 108) = ( 0.1646281 0.5587199 0.5389268), wk = 0.0026738 k( 109) = ( 0.1810909 0.5587199 0.5389268), wk = 0.0026738 k( 110) = ( 0.1975537 0.5587199 0.5389268), wk = 0.0026738 k( 111) = ( 0.2140165 0.5587199 0.5389268), wk = 0.0026738 k( 112) = ( 0.2304794 0.5587199 0.5389268), wk = 0.0026738 k( 113) = ( 0.2469422 0.5587199 0.5389268), wk = 0.0026738 k( 114) = ( 0.2634050 0.5587199 0.5389268), wk = 0.0026738 k( 115) = ( 0.2798678 0.5587199 0.5389268), wk = 0.0026738 k( 116) = ( 0.2963306 0.5587199 0.5389268), wk = 0.0026738 k( 117) = ( 0.3127934 0.5587199 0.5389268), wk = 0.0026738 k( 118) = ( 0.3292562 0.5587199 0.5389268), wk = 0.0026738 k( 119) = ( 0.3457190 0.5587199 0.5389268), wk = 0.0026738 k( 120) = ( 0.3457190 0.5587199 0.5389268), wk = 0.0026738 k( 121) = ( 0.3370761 0.5447519 0.5389268), wk = 0.0026738 k( 122) = ( 0.3284331 0.5307839 0.5389268), wk = 0.0026738 k( 123) = ( 0.3197901 0.5168159 0.5389268), wk = 0.0026738 k( 124) = ( 0.3111471 0.5028479 0.5389268), wk = 0.0026738 k( 125) = ( 0.3025042 0.4888799 0.5389268), wk = 0.0026738 k( 126) = ( 0.2938612 0.4749119 0.5389268), wk = 0.0026738 k( 127) = ( 0.2852182 0.4609439 0.5389268), wk = 0.0026738 k( 128) = ( 0.2765752 0.4469759 0.5389268), wk = 0.0026738 k( 129) = ( 0.2679323 0.4330079 0.5389268), wk = 0.0026738 k( 130) = ( 0.2592893 0.4190399 0.5389268), wk = 0.0026738 k( 131) = ( 0.2506463 0.4050719 0.5389268), wk = 0.0026738 k( 132) = ( 0.2420033 0.3911039 0.5389268), wk = 0.0026738 k( 133) = ( 0.2333603 0.3771359 0.5389268), wk = 0.0026738 k( 134) = ( 0.2247174 0.3631679 0.5389268), wk = 0.0026738 k( 135) = ( 0.2160744 0.3491999 0.5389268), wk = 0.0026738 k( 136) = ( 0.2074314 0.3352319 0.5389268), wk = 0.0026738 k( 137) = ( 0.1987885 0.3212639 0.5389268), wk = 0.0026738 k( 138) = ( 0.1901455 0.3072959 0.5389268), wk = 0.0026738 k( 139) = ( 0.1815025 0.2933279 0.5389268), wk = 0.0026738 k( 140) = ( 0.1728595 0.2793599 0.5389268), wk = 0.0026738 k( 141) = ( 0.1642165 0.2653920 0.5389268), wk = 0.0026738 k( 142) = ( 0.1555736 0.2514240 0.5389268), wk = 0.0026738 k( 143) = ( 0.1469306 0.2374559 0.5389268), wk = 0.0026738 k( 144) = ( 0.1382876 0.2234880 0.5389268), wk = 0.0026738 k( 145) = ( 0.1296446 0.2095200 0.5389268), wk = 0.0026738 k( 146) = ( 0.1210017 0.1955520 0.5389268), wk = 0.0026738 k( 147) = ( 0.1123587 0.1815840 0.5389268), wk = 0.0026738 k( 148) = ( 0.1037157 0.1676160 0.5389268), wk = 0.0026738 k( 149) = ( 0.0950727 0.1536480 0.5389268), wk = 0.0026738 k( 150) = ( 0.0864298 0.1396800 0.5389268), wk = 0.0026738 k( 151) = ( 0.0777868 0.1257120 0.5389268), wk = 0.0026738 k( 152) = ( 0.0691438 0.1117440 0.5389268), wk = 0.0026738 k( 153) = ( 0.0605008 0.0977760 0.5389268), wk = 0.0026738 k( 154) = ( 0.0518579 0.0838080 0.5389268), wk = 0.0026738 k( 155) = ( 0.0432149 0.0698400 0.5389268), wk = 0.0026738 k( 156) = ( 0.0345719 0.0558720 0.5389268), wk = 0.0026738 k( 157) = ( 0.0259289 0.0419040 0.5389268), wk = 0.0026738 k( 158) = ( 0.0172860 0.0279360 0.5389268), wk = 0.0026738 k( 159) = ( 0.0086430 0.0139680 0.5389268), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5389268), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5389268), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5225957), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5062646), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4899335), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4736024), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4572713), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4409401), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4246090), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4082779), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3919468), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3756157), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3592846), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3429534), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3266223), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3102912), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2939601), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2776290), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2612979), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2449667), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2286356), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2123045), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1959734), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1796423), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1633112), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1469801), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1306489), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1143178), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0979867), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0816556), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0653245), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489934), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326622), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163311), 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 0.0085940 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171881 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257821 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343761 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0429701 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0515642 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0601582 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0687522 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0773462 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0859403 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0945343 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1031283 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1117223 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1203164 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1289104 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1375044 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1460984 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1546925 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1632865 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1718805 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1804746 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1890686 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1976626 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2062566 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2148507 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2234447 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2320387 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2406327 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2492268 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2578208 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2664148 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2750088 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2836029 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2921969 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3007909 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3093849 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3093849 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914288 0.3232369 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828577 0.3370888 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742865 0.3509408 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657153 0.3647927 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571442 0.3786446 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485730 0.3924966 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4400019 0.4063485 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4314307 0.4202005 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4228595 0.4340524 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4142884 0.4479044 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4057172 0.4617563 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3971460 0.4756082 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3885749 0.4894602 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3800037 0.5033121 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3714325 0.5171641 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3628614 0.5310160 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3542902 0.5448679 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3457190 0.5587199 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3457190 0.5587199 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3457190 0.5587199 0.0163311), wk = 0.0026738 k( 253) = ( -0.3457190 0.5587199 0.0326622), wk = 0.0026738 k( 254) = ( -0.3457190 0.5587199 0.0489934), wk = 0.0026738 k( 255) = ( -0.3457190 0.5587199 0.0653245), wk = 0.0026738 k( 256) = ( -0.3457190 0.5587199 0.0816556), wk = 0.0026738 k( 257) = ( -0.3457190 0.5587199 0.0979867), wk = 0.0026738 k( 258) = ( -0.3457190 0.5587199 0.1143178), wk = 0.0026738 k( 259) = ( -0.3457190 0.5587199 0.1306489), wk = 0.0026738 k( 260) = ( -0.3457190 0.5587199 0.1469801), wk = 0.0026738 k( 261) = ( -0.3457190 0.5587199 0.1633112), wk = 0.0026738 k( 262) = ( -0.3457190 0.5587199 0.1796423), wk = 0.0026738 k( 263) = ( -0.3457190 0.5587199 0.1959734), wk = 0.0026738 k( 264) = ( -0.3457190 0.5587199 0.2123045), wk = 0.0026738 k( 265) = ( -0.3457190 0.5587199 0.2286356), wk = 0.0026738 k( 266) = ( -0.3457190 0.5587199 0.2449667), wk = 0.0026738 k( 267) = ( -0.3457190 0.5587199 0.2612979), wk = 0.0026738 k( 268) = ( -0.3457190 0.5587199 0.2776290), wk = 0.0026738 k( 269) = ( -0.3457190 0.5587199 0.2939601), wk = 0.0026738 k( 270) = ( -0.3457190 0.5587199 0.3102912), wk = 0.0026738 k( 271) = ( -0.3457190 0.5587199 0.3266223), wk = 0.0026738 k( 272) = ( -0.3457190 0.5587199 0.3429534), wk = 0.0026738 k( 273) = ( -0.3457190 0.5587199 0.3592846), wk = 0.0026738 k( 274) = ( -0.3457190 0.5587199 0.3756157), wk = 0.0026738 k( 275) = ( -0.3457190 0.5587199 0.3919468), wk = 0.0026738 k( 276) = ( -0.3457190 0.5587199 0.4082779), wk = 0.0026738 k( 277) = ( -0.3457190 0.5587199 0.4246090), wk = 0.0026738 k( 278) = ( -0.3457190 0.5587199 0.4409401), wk = 0.0026738 k( 279) = ( -0.3457190 0.5587199 0.4572713), wk = 0.0026738 k( 280) = ( -0.3457190 0.5587199 0.4736024), wk = 0.0026738 k( 281) = ( -0.3457190 0.5587199 0.4899335), wk = 0.0026738 k( 282) = ( -0.3457190 0.5587199 0.5062646), wk = 0.0026738 k( 283) = ( -0.3457190 0.5587199 0.5225957), wk = 0.0026738 k( 284) = ( -0.3457190 0.5587199 0.5389268), wk = 0.0026738 k( 285) = ( -0.3457190 0.5587199 0.5389268), wk = 0.0026738 k( 286) = ( -0.3542902 0.5448679 0.5389268), wk = 0.0026738 k( 287) = ( -0.3628614 0.5310160 0.5389268), wk = 0.0026738 k( 288) = ( -0.3714325 0.5171641 0.5389268), wk = 0.0026738 k( 289) = ( -0.3800037 0.5033121 0.5389268), wk = 0.0026738 k( 290) = ( -0.3885749 0.4894602 0.5389268), wk = 0.0026738 k( 291) = ( -0.3971460 0.4756082 0.5389268), wk = 0.0026738 k( 292) = ( -0.4057172 0.4617563 0.5389268), wk = 0.0026738 k( 293) = ( -0.4142884 0.4479044 0.5389268), wk = 0.0026738 k( 294) = ( -0.4228595 0.4340524 0.5389268), wk = 0.0026738 k( 295) = ( -0.4314307 0.4202005 0.5389268), wk = 0.0026738 k( 296) = ( -0.4400019 0.4063485 0.5389268), wk = 0.0026738 k( 297) = ( -0.4485730 0.3924966 0.5389268), wk = 0.0026738 k( 298) = ( -0.4571442 0.3786446 0.5389268), wk = 0.0026738 k( 299) = ( -0.4657153 0.3647927 0.5389268), wk = 0.0026738 k( 300) = ( -0.4742865 0.3509408 0.5389268), wk = 0.0026738 k( 301) = ( -0.4828577 0.3370888 0.5389268), wk = 0.0026738 k( 302) = ( -0.4914288 0.3232369 0.5389268), wk = 0.0026738 k( 303) = ( -0.5000000 0.3093849 0.5389268), wk = 0.0026738 k( 304) = ( -0.5000000 0.3093849 0.5389268), wk = 0.0026738 k( 305) = ( -0.5000000 0.3093849 0.5225957), wk = 0.0026738 k( 306) = ( -0.5000000 0.3093849 0.5062646), wk = 0.0026738 k( 307) = ( -0.5000000 0.3093849 0.4899335), wk = 0.0026738 k( 308) = ( -0.5000000 0.3093849 0.4736024), wk = 0.0026738 k( 309) = ( -0.5000000 0.3093849 0.4572713), wk = 0.0026738 k( 310) = ( -0.5000000 0.3093849 0.4409401), wk = 0.0026738 k( 311) = ( -0.5000000 0.3093849 0.4246090), wk = 0.0026738 k( 312) = ( -0.5000000 0.3093849 0.4082779), wk = 0.0026738 k( 313) = ( -0.5000000 0.3093849 0.3919468), wk = 0.0026738 k( 314) = ( -0.5000000 0.3093849 0.3756157), wk = 0.0026738 k( 315) = ( -0.5000000 0.3093849 0.3592846), wk = 0.0026738 k( 316) = ( -0.5000000 0.3093849 0.3429534), wk = 0.0026738 k( 317) = ( -0.5000000 0.3093849 0.3266223), wk = 0.0026738 k( 318) = ( -0.5000000 0.3093849 0.3102912), wk = 0.0026738 k( 319) = ( -0.5000000 0.3093849 0.2939601), wk = 0.0026738 k( 320) = ( -0.5000000 0.3093849 0.2776290), wk = 0.0026738 k( 321) = ( -0.5000000 0.3093849 0.2612979), wk = 0.0026738 k( 322) = ( -0.5000000 0.3093849 0.2449667), wk = 0.0026738 k( 323) = ( -0.5000000 0.3093849 0.2286356), wk = 0.0026738 k( 324) = ( -0.5000000 0.3093849 0.2123045), wk = 0.0026738 k( 325) = ( -0.5000000 0.3093849 0.1959734), wk = 0.0026738 k( 326) = ( -0.5000000 0.3093849 0.1796423), wk = 0.0026738 k( 327) = ( -0.5000000 0.3093849 0.1633112), wk = 0.0026738 k( 328) = ( -0.5000000 0.3093849 0.1469801), wk = 0.0026738 k( 329) = ( -0.5000000 0.3093849 0.1306489), wk = 0.0026738 k( 330) = ( -0.5000000 0.3093849 0.1143178), wk = 0.0026738 k( 331) = ( -0.5000000 0.3093849 0.0979867), wk = 0.0026738 k( 332) = ( -0.5000000 0.3093849 0.0816556), wk = 0.0026738 k( 333) = ( -0.5000000 0.3093849 0.0653245), wk = 0.0026738 k( 334) = ( -0.5000000 0.3093849 0.0489934), wk = 0.0026738 k( 335) = ( -0.5000000 0.3093849 0.0326622), wk = 0.0026738 k( 336) = ( -0.5000000 0.3093849 0.0163311), wk = 0.0026738 k( 337) = ( -0.5000000 0.3093849 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5389268), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085940 0.5389268), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171881 0.5389268), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257821 0.5389268), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343761 0.5389268), wk = 0.0026738 k( 343) = ( -0.0694444 0.0429701 0.5389268), wk = 0.0026738 k( 344) = ( -0.0833333 0.0515642 0.5389268), wk = 0.0026738 k( 345) = ( -0.0972222 0.0601582 0.5389268), wk = 0.0026738 k( 346) = ( -0.1111111 0.0687522 0.5389268), wk = 0.0026738 k( 347) = ( -0.1250000 0.0773462 0.5389268), wk = 0.0026738 k( 348) = ( -0.1388889 0.0859403 0.5389268), wk = 0.0026738 k( 349) = ( -0.1527778 0.0945343 0.5389268), wk = 0.0026738 k( 350) = ( -0.1666667 0.1031283 0.5389268), wk = 0.0026738 k( 351) = ( -0.1805556 0.1117223 0.5389268), wk = 0.0026738 k( 352) = ( -0.1944444 0.1203164 0.5389268), wk = 0.0026738 k( 353) = ( -0.2083333 0.1289104 0.5389268), wk = 0.0026738 k( 354) = ( -0.2222222 0.1375044 0.5389268), wk = 0.0026738 k( 355) = ( -0.2361111 0.1460984 0.5389268), wk = 0.0026738 k( 356) = ( -0.2500000 0.1546925 0.5389268), wk = 0.0026738 k( 357) = ( -0.2638889 0.1632865 0.5389268), wk = 0.0026738 k( 358) = ( -0.2777778 0.1718805 0.5389268), wk = 0.0026738 k( 359) = ( -0.2916667 0.1804746 0.5389268), wk = 0.0026738 k( 360) = ( -0.3055556 0.1890686 0.5389268), wk = 0.0026738 k( 361) = ( -0.3194444 0.1976626 0.5389268), wk = 0.0026738 k( 362) = ( -0.3333333 0.2062566 0.5389268), wk = 0.0026738 k( 363) = ( -0.3472222 0.2148507 0.5389268), wk = 0.0026738 k( 364) = ( -0.3611111 0.2234447 0.5389268), wk = 0.0026738 k( 365) = ( -0.3750000 0.2320387 0.5389268), wk = 0.0026738 k( 366) = ( -0.3888889 0.2406327 0.5389268), wk = 0.0026738 k( 367) = ( -0.4027778 0.2492268 0.5389268), wk = 0.0026738 k( 368) = ( -0.4166667 0.2578208 0.5389268), wk = 0.0026738 k( 369) = ( -0.4305556 0.2664148 0.5389268), wk = 0.0026738 k( 370) = ( -0.4444444 0.2750088 0.5389268), wk = 0.0026738 k( 371) = ( -0.4583333 0.2836029 0.5389268), wk = 0.0026738 k( 372) = ( -0.4722222 0.2921969 0.5389268), wk = 0.0026738 k( 373) = ( -0.4861111 0.3007909 0.5389268), wk = 0.0026738 k( 374) = ( -0.5000000 0.3093849 0.5389268), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086430 0.0086430 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172860 0.0172860 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259289 0.0259289 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345719 0.0345719 0.0000000), wk = 0.0026738 k( 6) = ( 0.0432149 0.0432149 0.0000000), wk = 0.0026738 k( 7) = ( 0.0518579 0.0518579 0.0000000), wk = 0.0026738 k( 8) = ( 0.0605008 0.0605008 0.0000000), wk = 0.0026738 k( 9) = ( 0.0691438 0.0691438 0.0000000), wk = 0.0026738 k( 10) = ( 0.0777868 0.0777868 0.0000000), wk = 0.0026738 k( 11) = ( 0.0864298 0.0864298 0.0000000), wk = 0.0026738 k( 12) = ( 0.0950727 0.0950727 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1037157 0.1037157 0.0000000), wk = 0.0026738 k( 14) = ( 0.1123587 0.1123587 0.0000000), wk = 0.0026738 k( 15) = ( 0.1210017 0.1210017 0.0000000), wk = 0.0026738 k( 16) = ( 0.1296446 0.1296446 0.0000000), wk = 0.0026738 k( 17) = ( 0.1382876 0.1382876 0.0000000), wk = 0.0026738 k( 18) = ( 0.1469306 0.1469306 0.0000000), wk = 0.0026738 k( 19) = ( 0.1555736 0.1555736 0.0000000), wk = 0.0026738 k( 20) = ( 0.1642165 0.1642166 0.0000000), wk = 0.0026738 k( 21) = ( 0.1728595 0.1728595 0.0000000), wk = 0.0026738 k( 22) = ( 0.1815025 0.1815025 0.0000000), wk = 0.0026738 k( 23) = ( 0.1901455 0.1901455 0.0000000), wk = 0.0026738 k( 24) = ( 0.1987885 0.1987885 0.0000000), wk = 0.0026738 k( 25) = ( 0.2074314 0.2074314 0.0000000), wk = 0.0026738 k( 26) = ( 0.2160744 0.2160744 0.0000000), wk = 0.0026738 k( 27) = ( 0.2247174 0.2247174 0.0000000), wk = 0.0026738 k( 28) = ( 0.2333603 0.2333604 0.0000000), wk = 0.0026738 k( 29) = ( 0.2420033 0.2420033 0.0000000), wk = 0.0026738 k( 30) = ( 0.2506463 0.2506463 0.0000000), wk = 0.0026738 k( 31) = ( 0.2592893 0.2592893 0.0000000), wk = 0.0026738 k( 32) = ( 0.2679323 0.2679323 0.0000000), wk = 0.0026738 k( 33) = ( 0.2765752 0.2765752 0.0000000), wk = 0.0026738 k( 34) = ( 0.2852182 0.2852182 0.0000000), wk = 0.0026738 k( 35) = ( 0.2938612 0.2938612 0.0000000), wk = 0.0026738 k( 36) = ( 0.3025042 0.3025042 0.0000000), wk = 0.0026738 k( 37) = ( 0.3111471 0.3111471 0.0000000), wk = 0.0026738 k( 38) = ( 0.3197901 0.3197901 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3284331 0.3284331 0.0000000), wk = 0.0026738 k( 40) = ( 0.3370761 0.3370761 0.0000000), wk = 0.0026738 k( 41) = ( 0.3457190 0.3457190 0.0000000), wk = 0.0026738 k( 42) = ( 0.3457190 0.3457190 0.0000000), wk = 0.0026738 k( 43) = ( 0.3292562 0.3530658 0.0000000), wk = 0.0026738 k( 44) = ( 0.3127934 0.3604125 0.0000000), wk = 0.0026738 k( 45) = ( 0.2963306 0.3677592 0.0000000), wk = 0.0026738 k( 46) = ( 0.2798678 0.3751059 0.0000000), wk = 0.0026738 k( 47) = ( 0.2634050 0.3824526 0.0000000), wk = 0.0026738 k( 48) = ( 0.2469422 0.3897993 0.0000000), wk = 0.0026738 k( 49) = ( 0.2304794 0.3971460 0.0000000), wk = 0.0026738 k( 50) = ( 0.2140165 0.4044927 0.0000000), wk = 0.0026738 k( 51) = ( 0.1975537 0.4118394 0.0000000), wk = 0.0026738 k( 52) = ( 0.1810909 0.4191862 0.0000000), wk = 0.0026738 k( 53) = ( 0.1646281 0.4265329 0.0000000), wk = 0.0026738 k( 54) = ( 0.1481653 0.4338796 0.0000000), wk = 0.0026738 k( 55) = ( 0.1317025 0.4412263 0.0000000), wk = 0.0026738 k( 56) = ( 0.1152397 0.4485730 0.0000000), wk = 0.0026738 k( 57) = ( 0.0987769 0.4559197 0.0000000), wk = 0.0026738 k( 58) = ( 0.0823141 0.4632664 0.0000000), wk = 0.0026738 k( 59) = ( 0.0658513 0.4706132 0.0000000), wk = 0.0026738 k( 60) = ( 0.0493884 0.4779599 0.0000000), wk = 0.0026738 k( 61) = ( 0.0329256 0.4853066 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164628 0.4926533 0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 99) = ( 0.0164628 0.4926533 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329256 0.4853066 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493884 0.4779599 0.5000000), wk = 0.0026738 k( 102) = ( 0.0658513 0.4706132 0.5000000), wk = 0.0026738 k( 103) = ( 0.0823141 0.4632664 0.5000000), wk = 0.0026738 k( 104) = ( 0.0987769 0.4559197 0.5000000), wk = 0.0026738 k( 105) = ( 0.1152397 0.4485730 0.5000000), wk = 0.0026738 k( 106) = ( 0.1317025 0.4412263 0.5000000), wk = 0.0026738 k( 107) = ( 0.1481653 0.4338796 0.5000000), wk = 0.0026738 k( 108) = ( 0.1646281 0.4265329 0.5000000), wk = 0.0026738 k( 109) = ( 0.1810909 0.4191862 0.5000000), wk = 0.0026738 k( 110) = ( 0.1975537 0.4118394 0.5000000), wk = 0.0026738 k( 111) = ( 0.2140165 0.4044927 0.5000000), wk = 0.0026738 k( 112) = ( 0.2304794 0.3971460 0.5000000), wk = 0.0026738 k( 113) = ( 0.2469422 0.3897993 0.5000000), wk = 0.0026738 k( 114) = ( 0.2634050 0.3824526 0.5000000), wk = 0.0026738 k( 115) = ( 0.2798678 0.3751059 0.5000000), wk = 0.0026738 k( 116) = ( 0.2963306 0.3677592 0.5000000), wk = 0.0026738 k( 117) = ( 0.3127934 0.3604125 0.5000000), wk = 0.0026738 k( 118) = ( 0.3292562 0.3530658 0.5000000), wk = 0.0026738 k( 119) = ( 0.3457190 0.3457190 0.5000000), wk = 0.0026738 k( 120) = ( 0.3457190 0.3457190 0.5000000), wk = 0.0026738 k( 121) = ( 0.3370761 0.3370761 0.5000000), wk = 0.0026738 k( 122) = ( 0.3284331 0.3284331 0.5000000), wk = 0.0026738 k( 123) = ( 0.3197901 0.3197901 0.5000000), wk = 0.0026738 k( 124) = ( 0.3111471 0.3111471 0.5000000), wk = 0.0026738 k( 125) = ( 0.3025042 0.3025042 0.5000000), wk = 0.0026738 k( 126) = ( 0.2938612 0.2938612 0.5000000), wk = 0.0026738 k( 127) = ( 0.2852182 0.2852182 0.5000000), wk = 0.0026738 k( 128) = ( 0.2765752 0.2765752 0.5000000), wk = 0.0026738 k( 129) = ( 0.2679323 0.2679323 0.5000000), wk = 0.0026738 k( 130) = ( 0.2592893 0.2592893 0.5000000), wk = 0.0026738 k( 131) = ( 0.2506463 0.2506463 0.5000000), wk = 0.0026738 k( 132) = ( 0.2420033 0.2420033 0.5000000), wk = 0.0026738 k( 133) = ( 0.2333603 0.2333604 0.5000000), wk = 0.0026738 k( 134) = ( 0.2247174 0.2247174 0.5000000), wk = 0.0026738 k( 135) = ( 0.2160744 0.2160744 0.5000000), wk = 0.0026738 k( 136) = ( 0.2074314 0.2074314 0.5000000), wk = 0.0026738 k( 137) = ( 0.1987885 0.1987885 0.5000000), wk = 0.0026738 k( 138) = ( 0.1901455 0.1901455 0.5000000), wk = 0.0026738 k( 139) = ( 0.1815025 0.1815025 0.5000000), wk = 0.0026738 k( 140) = ( 0.1728595 0.1728595 0.5000000), wk = 0.0026738 k( 141) = ( 0.1642165 0.1642166 0.5000000), wk = 0.0026738 k( 142) = ( 0.1555736 0.1555736 0.5000000), wk = 0.0026738 k( 143) = ( 0.1469306 0.1469306 0.5000000), wk = 0.0026738 k( 144) = ( 0.1382876 0.1382876 0.5000000), wk = 0.0026738 k( 145) = ( 0.1296446 0.1296446 0.5000000), wk = 0.0026738 k( 146) = ( 0.1210017 0.1210017 0.5000000), wk = 0.0026738 k( 147) = ( 0.1123587 0.1123587 0.5000000), wk = 0.0026738 k( 148) = ( 0.1037157 0.1037157 0.5000000), wk = 0.0026738 k( 149) = ( 0.0950727 0.0950727 0.5000000), wk = 0.0026738 k( 150) = ( 0.0864298 0.0864298 0.5000000), wk = 0.0026738 k( 151) = ( 0.0777868 0.0777868 0.5000000), wk = 0.0026738 k( 152) = ( 0.0691438 0.0691438 0.5000000), wk = 0.0026738 k( 153) = ( 0.0605008 0.0605008 0.5000000), wk = 0.0026738 k( 154) = ( 0.0518579 0.0518579 0.5000000), wk = 0.0026738 k( 155) = ( 0.0432149 0.0432149 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345719 0.0345719 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259289 0.0259289 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172860 0.0172860 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086430 0.0086430 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3484848), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0138889 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0277778 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0416667 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0694444 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0972222 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.1388889 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.1527778 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1805556 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.2083333 -0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.2361111 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.2638889 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.2916667 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.3194444 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.3472222 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.3611111 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.4027778 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.4305556 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.4583333 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.4722222 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.4861111 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914288 0.5085712 0.0000000), wk = 0.0026738 k( 234) = ( -0.4828577 0.5171423 0.0000000), wk = 0.0026738 k( 235) = ( -0.4742865 0.5257135 0.0000000), wk = 0.0026738 k( 236) = ( -0.4657153 0.5342847 0.0000000), wk = 0.0026738 k( 237) = ( -0.4571442 0.5428558 0.0000000), wk = 0.0026738 k( 238) = ( -0.4485730 0.5514270 0.0000000), wk = 0.0026738 k( 239) = ( -0.4400019 0.5599981 0.0000000), wk = 0.0026738 k( 240) = ( -0.4314307 0.5685693 0.0000000), wk = 0.0026738 k( 241) = ( -0.4228595 0.5771405 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4142884 0.5857116 0.0000000), wk = 0.0026738 k( 243) = ( -0.4057172 0.5942828 0.0000000), wk = 0.0026738 k( 244) = ( -0.3971460 0.6028540 0.0000000), wk = 0.0026738 k( 245) = ( -0.3885749 0.6114251 0.0000000), wk = 0.0026738 k( 246) = ( -0.3800037 0.6199963 0.0000000), wk = 0.0026738 k( 247) = ( -0.3714325 0.6285675 0.0000000), wk = 0.0026738 k( 248) = ( -0.3628614 0.6371386 0.0000000), wk = 0.0026738 k( 249) = ( -0.3542902 0.6457098 0.0000000), wk = 0.0026738 k( 250) = ( -0.3457190 0.6542810 0.0000000), wk = 0.0026738 k( 251) = ( -0.3457190 0.6542810 0.0000000), wk = 0.0026738 k( 252) = ( -0.3457190 0.6542810 0.0151515), wk = 0.0026738 k( 253) = ( -0.3457190 0.6542810 0.0303030), wk = 0.0026738 k( 254) = ( -0.3457190 0.6542810 0.0454545), wk = 0.0026738 k( 255) = ( -0.3457190 0.6542810 0.0606061), wk = 0.0026738 k( 256) = ( -0.3457190 0.6542810 0.0757576), wk = 0.0026738 k( 257) = ( -0.3457190 0.6542810 0.0909091), wk = 0.0026738 k( 258) = ( -0.3457190 0.6542810 0.1060606), wk = 0.0026738 k( 259) = ( -0.3457190 0.6542810 0.1212121), wk = 0.0026738 k( 260) = ( -0.3457190 0.6542810 0.1363636), wk = 0.0026738 k( 261) = ( -0.3457190 0.6542810 0.1515151), wk = 0.0026738 k( 262) = ( -0.3457190 0.6542810 0.1666667), wk = 0.0026738 k( 263) = ( -0.3457190 0.6542810 0.1818182), wk = 0.0026738 k( 264) = ( -0.3457190 0.6542810 0.1969697), wk = 0.0026738 k( 265) = ( -0.3457190 0.6542810 0.2121212), wk = 0.0026738 k( 266) = ( -0.3457190 0.6542810 0.2272727), wk = 0.0026738 k( 267) = ( -0.3457190 0.6542810 0.2424242), wk = 0.0026738 k( 268) = ( -0.3457190 0.6542810 0.2575758), wk = 0.0026738 k( 269) = ( -0.3457190 0.6542810 0.2727273), wk = 0.0026738 k( 270) = ( -0.3457190 0.6542810 0.2878788), wk = 0.0026738 k( 271) = ( -0.3457190 0.6542810 0.3030303), wk = 0.0026738 k( 272) = ( -0.3457190 0.6542810 0.3181818), wk = 0.0026738 k( 273) = ( -0.3457190 0.6542810 0.3333333), wk = 0.0026738 k( 274) = ( -0.3457190 0.6542810 0.3484849), wk = 0.0026738 k( 275) = ( -0.3457190 0.6542810 0.3636364), wk = 0.0026738 k( 276) = ( -0.3457190 0.6542810 0.3787879), wk = 0.0026738 k( 277) = ( -0.3457190 0.6542810 0.3939394), wk = 0.0026738 k( 278) = ( -0.3457190 0.6542810 0.4090909), wk = 0.0026738 k( 279) = ( -0.3457190 0.6542810 0.4242424), wk = 0.0026738 k( 280) = ( -0.3457190 0.6542810 0.4393939), wk = 0.0026738 k( 281) = ( -0.3457190 0.6542810 0.4545454), wk = 0.0026738 k( 282) = ( -0.3457190 0.6542810 0.4696970), wk = 0.0026738 k( 283) = ( -0.3457190 0.6542810 0.4848485), wk = 0.0026738 k( 284) = ( -0.3457190 0.6542810 0.5000000), wk = 0.0026738 k( 285) = ( -0.3457190 0.6542810 0.5000000), wk = 0.0026738 k( 286) = ( -0.3542902 0.6457098 0.5000000), wk = 0.0026738 k( 287) = ( -0.3628614 0.6371386 0.5000000), wk = 0.0026738 k( 288) = ( -0.3714325 0.6285675 0.5000000), wk = 0.0026738 k( 289) = ( -0.3800037 0.6199963 0.5000000), wk = 0.0026738 k( 290) = ( -0.3885749 0.6114251 0.5000000), wk = 0.0026738 k( 291) = ( -0.3971460 0.6028540 0.5000000), wk = 0.0026738 k( 292) = ( -0.4057172 0.5942828 0.5000000), wk = 0.0026738 k( 293) = ( -0.4142884 0.5857116 0.5000000), wk = 0.0026738 k( 294) = ( -0.4228595 0.5771405 0.5000000), wk = 0.0026738 k( 295) = ( -0.4314307 0.5685693 0.5000000), wk = 0.0026738 k( 296) = ( -0.4400019 0.5599981 0.5000000), wk = 0.0026738 k( 297) = ( -0.4485730 0.5514270 0.5000000), wk = 0.0026738 k( 298) = ( -0.4571442 0.5428558 0.5000000), wk = 0.0026738 k( 299) = ( -0.4657153 0.5342847 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742865 0.5257135 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828577 0.5171423 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914288 0.5085712 0.5000000), wk = 0.0026738 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4545454), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3484848), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738 k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738 k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738 k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738 k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738 k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738 k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738 k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738 k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738 k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738 k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738 k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738 k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738 k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738 k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738 k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738 k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738 k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738 k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 78195 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34641 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 196, 58) NL pseudopotentials 0.33 Mb ( 98, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1628) G-vector shells 0.01 Mb ( 837) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 196, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.2 secs Computing kpt #: 2 total cpu time spent up to now is 45.9 secs Computing kpt #: 3 total cpu time spent up to now is 48.5 secs Computing kpt #: 4 total cpu time spent up to now is 50.9 secs Computing kpt #: 5 total cpu time spent up to now is 53.4 secs Computing kpt #: 6 total cpu time spent up to now is 55.8 secs Computing kpt #: 7 total cpu time spent up to now is 58.2 secs Computing kpt #: 8 total cpu time spent up to now is 60.6 secs Computing kpt #: 9 total cpu time spent up to now is 63.0 secs Computing kpt #: 10 total cpu time spent up to now is 65.4 secs Computing kpt #: 11 total cpu time spent up to now is 67.8 secs Computing kpt #: 12 total cpu time spent up to now is 70.1 secs Computing kpt #: 13 total cpu time spent up to now is 72.4 secs Computing kpt #: 14 total cpu time spent up to now is 74.8 secs Computing kpt #: 15 total cpu time spent up to now is 77.9 secs Computing kpt #: 16 total cpu time spent up to now is 80.7 secs Computing kpt #: 17 total cpu time spent up to now is 83.3 secs Computing kpt #: 18 total cpu time spent up to now is 86.7 secs Computing kpt #: 19 total cpu time spent up to now is 89.9 secs Computing kpt #: 20 total cpu time spent up to now is 93.1 secs Computing kpt #: 21 total cpu time spent up to now is 96.2 secs Computing kpt #: 22 total cpu time spent up to now is 100.1 secs Computing kpt #: 23 total cpu time spent up to now is 104.8 secs Computing kpt #: 24 total cpu time spent up to now is 109.8 secs Computing kpt #: 25 total cpu time spent up to now is 116.1 secs Computing kpt #: 26 total cpu time spent up to now is 120.6 secs Computing kpt #: 27 total cpu time spent up to now is 124.0 secs Computing kpt #: 28 total cpu time spent up to now is 128.0 secs Computing kpt #: 29 total cpu time spent up to now is 131.5 secs Computing kpt #: 30 total cpu time spent up to now is 138.5 secs Computing kpt #: 31 total cpu time spent up to now is 142.8 secs Computing kpt #: 32 total cpu time spent up to now is 145.9 secs Computing kpt #: 33 total cpu time spent up to now is 149.0 secs Computing kpt #: 34 total cpu time spent up to now is 152.1 secs Computing kpt #: 35 total cpu time spent up to now is 155.3 secs Computing kpt #: 36 total cpu time spent up to now is 158.3 secs Computing kpt #: 37 total cpu time spent up to now is 161.0 secs Computing kpt #: 38 total cpu time spent up to now is 164.2 secs Computing kpt #: 39 total cpu time spent up to now is 167.2 secs Computing kpt #: 40 total cpu time spent up to now is 170.4 secs Computing kpt #: 41 total cpu time spent up to now is 174.1 secs Computing kpt #: 42 total cpu time spent up to now is 177.6 secs Computing kpt #: 43 total cpu time spent up to now is 181.6 secs Computing kpt #: 44 total cpu time spent up to now is 184.6 secs Computing kpt #: 45 total cpu time spent up to now is 189.1 secs Computing kpt #: 46 total cpu time spent up to now is 192.6 secs Computing kpt #: 47 total cpu time spent up to now is 195.9 secs Computing kpt #: 48 total cpu time spent up to now is 201.4 secs Computing kpt #: 49 total cpu time spent up to now is 205.4 secs Computing kpt #: 50 total cpu time spent up to now is 211.1 secs Computing kpt #: 51 total cpu time spent up to now is 215.7 secs Computing kpt #: 52 total cpu time spent up to now is 219.4 secs Computing kpt #: 53 total cpu time spent up to now is 224.7 secs Computing kpt #: 54 total cpu time spent up to now is 229.8 secs Computing kpt #: 55 total cpu time spent up to now is 234.3 secs Computing kpt #: 56 total cpu time spent up to now is 237.5 secs Computing kpt #: 57 total cpu time spent up to now is 241.3 secs Computing kpt #: 58 total cpu time spent up to now is 246.3 secs Computing kpt #: 59 total cpu time spent up to now is 250.0 secs Computing kpt #: 60 total cpu time spent up to now is 252.8 secs Computing kpt #: 61 total cpu time spent up to now is 255.4 secs Computing kpt #: 62 total cpu time spent up to now is 257.9 secs Computing kpt #: 63 total cpu time spent up to now is 261.4 secs Computing kpt #: 64 total cpu time spent up to now is 264.0 secs Computing kpt #: 65 total cpu time spent up to now is 267.0 secs Computing kpt #: 66 total cpu time spent up to now is 269.9 secs Computing kpt #: 67 total cpu time spent up to now is 274.5 secs Computing kpt #: 68 total cpu time spent up to now is 277.9 secs Computing kpt #: 69 total cpu time spent up to now is 281.2 secs Computing kpt #: 70 total cpu time spent up to now is 286.7 secs Computing kpt #: 71 total cpu time spent up to now is 291.2 secs Computing kpt #: 72 total cpu time spent up to now is 294.6 secs Computing kpt #: 73 total cpu time spent up to now is 299.9 secs Computing kpt #: 74 total cpu time spent up to now is 305.5 secs Computing kpt #: 75 total cpu time spent up to now is 309.5 secs Computing kpt #: 76 total cpu time spent up to now is 313.4 secs Computing kpt #: 77 total cpu time spent up to now is 317.6 secs Computing kpt #: 78 total cpu time spent up to now is 321.8 secs Computing kpt #: 79 total cpu time spent up to now is 327.6 secs Computing kpt #: 80 total cpu time spent up to now is 332.7 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.0 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 343.5 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 349.2 secs Computing kpt #: 84 total cpu time spent up to now is 354.8 secs Computing kpt #: 85 total cpu time spent up to now is 360.1 secs Computing kpt #: 86 total cpu time spent up to now is 366.2 secs Computing kpt #: 87 total cpu time spent up to now is 370.2 secs Computing kpt #: 88 total cpu time spent up to now is 373.3 secs Computing kpt #: 89 total cpu time spent up to now is 377.4 secs Computing kpt #: 90 total cpu time spent up to now is 382.0 secs Computing kpt #: 91 total cpu time spent up to now is 385.6 secs Computing kpt #: 92 total cpu time spent up to now is 390.7 secs Computing kpt #: 93 total cpu time spent up to now is 394.2 secs Computing kpt #: 94 total cpu time spent up to now is 398.9 secs Computing kpt #: 95 total cpu time spent up to now is 403.1 secs Computing kpt #: 96 total cpu time spent up to now is 407.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.1 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.5 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 426.5 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.2 secs Computing kpt #: 101 total cpu time spent up to now is 435.9 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.6 secs Computing kpt #: 103 total cpu time spent up to now is 445.8 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.4 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 457.6 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 462.6 secs Computing kpt #: 107 total cpu time spent up to now is 465.7 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 470.7 secs Computing kpt #: 109 total cpu time spent up to now is 474.6 secs Computing kpt #: 110 total cpu time spent up to now is 478.2 secs Computing kpt #: 111 total cpu time spent up to now is 482.6 secs Computing kpt #: 112 total cpu time spent up to now is 489.2 secs Computing kpt #: 113 total cpu time spent up to now is 493.1 secs Computing kpt #: 114 total cpu time spent up to now is 496.2 secs Computing kpt #: 115 total cpu time spent up to now is 499.9 secs Computing kpt #: 116 total cpu time spent up to now is 506.2 secs Computing kpt #: 117 total cpu time spent up to now is 511.9 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.5 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 526.3 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 531.8 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 539.5 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 545.6 secs Computing kpt #: 123 total cpu time spent up to now is 550.8 secs Computing kpt #: 124 total cpu time spent up to now is 555.3 secs Computing kpt #: 125 total cpu time spent up to now is 559.1 secs Computing kpt #: 126 total cpu time spent up to now is 562.4 secs Computing kpt #: 127 total cpu time spent up to now is 569.3 secs Computing kpt #: 128 total cpu time spent up to now is 573.6 secs Computing kpt #: 129 total cpu time spent up to now is 577.3 secs Computing kpt #: 130 total cpu time spent up to now is 580.3 secs Computing kpt #: 131 total cpu time spent up to now is 584.6 secs Computing kpt #: 132 total cpu time spent up to now is 589.5 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 596.5 secs Computing kpt #: 134 total cpu time spent up to now is 603.1 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 609.2 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 614.5 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 621.5 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 627.3 secs Computing kpt #: 139 total cpu time spent up to now is 632.6 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 638.8 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 643.9 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 650.2 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 656.2 secs Computing kpt #: 144 total cpu time spent up to now is 659.6 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 667.5 secs Computing kpt #: 146 total cpu time spent up to now is 671.7 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 676.6 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 682.6 secs Computing kpt #: 149 total cpu time spent up to now is 687.7 secs Computing kpt #: 150 total cpu time spent up to now is 691.7 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.8 secs Computing kpt #: 152 total cpu time spent up to now is 700.7 secs Computing kpt #: 153 total cpu time spent up to now is 704.0 secs Computing kpt #: 154 total cpu time spent up to now is 708.2 secs Computing kpt #: 155 total cpu time spent up to now is 712.4 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 718.5 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 726.6 secs Computing kpt #: 158 total cpu time spent up to now is 730.2 secs Computing kpt #: 159 total cpu time spent up to now is 734.4 secs Computing kpt #: 160 total cpu time spent up to now is 737.7 secs Computing kpt #: 161 total cpu time spent up to now is 741.0 secs Computing kpt #: 162 total cpu time spent up to now is 746.1 secs Computing kpt #: 163 total cpu time spent up to now is 750.5 secs Computing kpt #: 164 total cpu time spent up to now is 753.6 secs Computing kpt #: 165 total cpu time spent up to now is 757.7 secs Computing kpt #: 166 total cpu time spent up to now is 760.4 secs Computing kpt #: 167 total cpu time spent up to now is 764.9 secs Computing kpt #: 168 total cpu time spent up to now is 767.5 secs Computing kpt #: 169 total cpu time spent up to now is 771.7 secs Computing kpt #: 170 total cpu time spent up to now is 775.1 secs Computing kpt #: 171 total cpu time spent up to now is 778.2 secs Computing kpt #: 172 total cpu time spent up to now is 781.0 secs Computing kpt #: 173 total cpu time spent up to now is 785.4 secs Computing kpt #: 174 total cpu time spent up to now is 789.4 secs Computing kpt #: 175 total cpu time spent up to now is 792.7 secs Computing kpt #: 176 total cpu time spent up to now is 797.0 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 802.5 secs Computing kpt #: 178 total cpu time spent up to now is 806.6 secs Computing kpt #: 179 total cpu time spent up to now is 811.0 secs Computing kpt #: 180 total cpu time spent up to now is 815.3 secs Computing kpt #: 181 total cpu time spent up to now is 817.7 secs Computing kpt #: 182 total cpu time spent up to now is 820.0 secs Computing kpt #: 183 total cpu time spent up to now is 823.8 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 829.5 secs Computing kpt #: 185 total cpu time spent up to now is 834.4 secs Computing kpt #: 186 total cpu time spent up to now is 838.4 secs Computing kpt #: 187 total cpu time spent up to now is 841.9 secs Computing kpt #: 188 total cpu time spent up to now is 845.4 secs Computing kpt #: 189 total cpu time spent up to now is 849.9 secs Computing kpt #: 190 total cpu time spent up to now is 854.8 secs Computing kpt #: 191 total cpu time spent up to now is 857.6 secs Computing kpt #: 192 total cpu time spent up to now is 860.2 secs Computing kpt #: 193 total cpu time spent up to now is 862.7 secs Computing kpt #: 194 total cpu time spent up to now is 865.4 secs Computing kpt #: 195 total cpu time spent up to now is 868.0 secs Computing kpt #: 196 total cpu time spent up to now is 872.2 secs Computing kpt #: 197 total cpu time spent up to now is 875.4 secs Computing kpt #: 198 total cpu time spent up to now is 879.7 secs Computing kpt #: 199 total cpu time spent up to now is 884.5 secs Computing kpt #: 200 total cpu time spent up to now is 887.1 secs Computing kpt #: 201 total cpu time spent up to now is 890.2 secs Computing kpt #: 202 total cpu time spent up to now is 893.5 secs Computing kpt #: 203 total cpu time spent up to now is 896.8 secs Computing kpt #: 204 total cpu time spent up to now is 900.5 secs Computing kpt #: 205 total cpu time spent up to now is 904.1 secs Computing kpt #: 206 total cpu time spent up to now is 906.6 secs Computing kpt #: 207 total cpu time spent up to now is 910.9 secs Computing kpt #: 208 total cpu time spent up to now is 915.2 secs Computing kpt #: 209 total cpu time spent up to now is 918.6 secs Computing kpt #: 210 total cpu time spent up to now is 921.3 secs Computing kpt #: 211 total cpu time spent up to now is 924.0 secs Computing kpt #: 212 total cpu time spent up to now is 927.4 secs Computing kpt #: 213 total cpu time spent up to now is 931.6 secs Computing kpt #: 214 total cpu time spent up to now is 934.5 secs Computing kpt #: 215 total cpu time spent up to now is 937.2 secs Computing kpt #: 216 total cpu time spent up to now is 939.9 secs Computing kpt #: 217 total cpu time spent up to now is 944.8 secs Computing kpt #: 218 total cpu time spent up to now is 948.1 secs Computing kpt #: 219 total cpu time spent up to now is 950.8 secs Computing kpt #: 220 total cpu time spent up to now is 953.8 secs Computing kpt #: 221 total cpu time spent up to now is 956.7 secs Computing kpt #: 222 total cpu time spent up to now is 959.7 secs Computing kpt #: 223 total cpu time spent up to now is 964.4 secs Computing kpt #: 224 total cpu time spent up to now is 967.0 secs Computing kpt #: 225 total cpu time spent up to now is 969.6 secs Computing kpt #: 226 total cpu time spent up to now is 973.1 secs Computing kpt #: 227 total cpu time spent up to now is 976.9 secs Computing kpt #: 228 total cpu time spent up to now is 981.0 secs Computing kpt #: 229 total cpu time spent up to now is 983.7 secs Computing kpt #: 230 total cpu time spent up to now is 986.3 secs Computing kpt #: 231 total cpu time spent up to now is 989.1 secs Computing kpt #: 232 total cpu time spent up to now is 992.5 secs Computing kpt #: 233 total cpu time spent up to now is 996.4 secs Computing kpt #: 234 total cpu time spent up to now is 999.0 secs Computing kpt #: 235 total cpu time spent up to now is 1001.8 secs Computing kpt #: 236 total cpu time spent up to now is 1005.2 secs Computing kpt #: 237 total cpu time spent up to now is 1008.7 secs Computing kpt #: 238 total cpu time spent up to now is 1012.7 secs Computing kpt #: 239 total cpu time spent up to now is 1016.3 secs Computing kpt #: 240 total cpu time spent up to now is 1019.7 secs Computing kpt #: 241 total cpu time spent up to now is 1024.0 secs Computing kpt #: 242 total cpu time spent up to now is 1027.4 secs Computing kpt #: 243 total cpu time spent up to now is 1030.7 secs Computing kpt #: 244 total cpu time spent up to now is 1033.8 secs Computing kpt #: 245 total cpu time spent up to now is 1037.3 secs Computing kpt #: 246 total cpu time spent up to now is 1041.4 secs Computing kpt #: 247 total cpu time spent up to now is 1044.3 secs Computing kpt #: 248 total cpu time spent up to now is 1047.4 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1054.1 secs Computing kpt #: 250 total cpu time spent up to now is 1059.8 secs Computing kpt #: 251 total cpu time spent up to now is 1064.2 secs Computing kpt #: 252 total cpu time spent up to now is 1068.1 secs Computing kpt #: 253 total cpu time spent up to now is 1073.1 secs Computing kpt #: 254 total cpu time spent up to now is 1078.0 secs Computing kpt #: 255 total cpu time spent up to now is 1081.1 secs Computing kpt #: 256 total cpu time spent up to now is 1084.5 secs Computing kpt #: 257 total cpu time spent up to now is 1088.2 secs Computing kpt #: 258 total cpu time spent up to now is 1091.4 secs Computing kpt #: 259 total cpu time spent up to now is 1096.2 secs Computing kpt #: 260 total cpu time spent up to now is 1098.6 secs Computing kpt #: 261 total cpu time spent up to now is 1101.1 secs Computing kpt #: 262 total cpu time spent up to now is 1104.7 secs Computing kpt #: 263 total cpu time spent up to now is 1109.2 secs Computing kpt #: 264 total cpu time spent up to now is 1112.0 secs Computing kpt #: 265 total cpu time spent up to now is 1114.5 secs Computing kpt #: 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kpt #: 281 total cpu time spent up to now is 1166.6 secs Computing kpt #: 282 total cpu time spent up to now is 1170.5 secs Computing kpt #: 283 total cpu time spent up to now is 1173.6 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1178.7 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1184.0 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1191.5 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1196.8 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1202.0 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1208.2 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1213.4 secs Computing kpt #: 291 total cpu time spent up to now is 1215.6 secs Computing kpt #: 292 total cpu time spent up to now is 1218.6 secs Computing kpt #: 293 total cpu time spent up to now is 1222.0 secs Computing kpt #: 294 total cpu time spent up to now is 1224.8 secs Computing kpt #: 295 total cpu time spent up to now is 1229.0 secs Computing kpt #: 296 total cpu time spent up to now is 1231.4 secs Computing kpt #: 297 total cpu time spent up to now is 1234.3 secs Computing kpt #: 298 total cpu time spent up to now is 1237.0 secs Computing kpt #: 299 total cpu time spent up to now is 1239.8 secs Computing kpt #: 300 total cpu time spent up to now is 1243.2 secs Computing kpt #: 301 total cpu time spent up to now is 1246.5 secs Computing kpt #: 302 total cpu time spent up to now is 1248.7 secs Computing kpt #: 303 total cpu time spent up to now is 1251.4 secs Computing kpt #: 304 total cpu time spent up to now is 1254.5 secs Computing kpt #: 305 total cpu time spent up to now is 1257.6 secs Computing kpt #: 306 total cpu time spent up to now is 1261.8 secs Computing kpt #: 307 total cpu time spent up to now is 1265.4 secs Computing kpt #: 308 total cpu time spent up to now is 1268.5 secs Computing kpt #: 309 total cpu time spent up to now is 1271.1 secs Computing kpt #: 310 total cpu time spent up to now is 1273.9 secs Computing kpt #: 311 total cpu time spent up to now is 1277.0 secs Computing kpt #: 312 total cpu time spent up to now is 1280.6 secs Computing kpt #: 313 total cpu time spent up to now is 1283.7 secs Computing kpt #: 314 total cpu time spent up to now is 1286.4 secs Computing kpt #: 315 total cpu time spent up to now is 1288.7 secs Computing kpt #: 316 total cpu time spent up to now is 1291.0 secs Computing kpt #: 317 total cpu time spent up to now is 1295.0 secs Computing kpt #: 318 total cpu time spent up to now is 1298.8 secs Computing kpt #: 319 total cpu time spent up to now is 1301.7 secs Computing kpt #: 320 total cpu time spent up to now is 1305.1 secs Computing kpt #: 321 total cpu time spent up to now is 1308.4 secs Computing kpt #: 322 total cpu time spent up to now is 1311.4 secs Computing kpt #: 323 total cpu time spent up to now is 1314.3 secs Computing kpt #: 324 total cpu time spent up to now is 1318.0 secs Computing kpt #: 325 total cpu time spent up to now is 1321.2 secs Computing kpt #: 326 total cpu time spent up to now is 1324.7 secs Computing kpt #: 327 total cpu time spent up to now is 1328.1 secs Computing kpt #: 328 total cpu time spent up to now is 1331.6 secs Computing kpt #: 329 total cpu time spent up to now is 1334.6 secs Computing kpt #: 330 total cpu time spent up to now is 1337.6 secs Computing kpt #: 331 total cpu time spent up to now is 1341.9 secs Computing kpt #: 332 total cpu time spent up to now is 1344.7 secs Computing kpt #: 333 total cpu time spent up to now is 1347.3 secs Computing kpt #: 334 total cpu time spent up to now is 1349.8 secs Computing kpt #: 335 total cpu time spent up to now is 1352.3 secs Computing kpt #: 336 total cpu time spent up to now is 1354.9 secs Computing kpt #: 337 total cpu time spent up to now is 1358.7 secs Computing kpt #: 338 total cpu time spent up to now is 1362.4 secs Computing kpt #: 339 total cpu time spent up to now is 1367.9 secs Computing kpt #: 340 total cpu time spent up to now is 1371.6 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1377.1 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1383.1 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1388.4 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1394.2 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1399.1 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1405.5 secs Computing kpt #: 347 total cpu time spent up to now is 1410.9 secs Computing kpt #: 348 total cpu time spent up to now is 1415.9 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1421.1 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1426.9 secs Computing kpt #: 351 total cpu time spent up to now is 1432.2 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1437.6 secs Computing kpt #: 353 total cpu time spent up to now is 1441.1 secs Computing kpt #: 354 total cpu time spent up to now is 1445.3 secs Computing kpt #: 355 total cpu time spent up to now is 1449.8 secs Computing kpt #: 356 total cpu time spent up to now is 1453.7 secs Computing kpt #: 357 total cpu time spent up to now is 1458.1 secs Computing kpt #: 358 total cpu time spent up to now is 1462.1 secs Computing kpt #: 359 total cpu time spent up to now is 1465.7 secs Computing kpt #: 360 total cpu time spent up to now is 1468.8 secs Computing kpt #: 361 total cpu time spent up to now is 1473.9 secs Computing kpt #: 362 total cpu time spent up to now is 1477.6 secs Computing kpt #: 363 total cpu time spent up to now is 1481.1 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1486.3 secs Computing kpt #: 365 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1492.3 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1498.9 secs Computing kpt #: 367 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1505.1 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1510.3 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1516.1 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1521.2 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1526.0 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1531.2 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1538.1 secs Computing kpt #: 374 total cpu time spent up to now is 1541.5 secs ethr = 2.08E-11, avg # of iterations = 57.3 total cpu time spent up to now is 1541.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.9465 -13.9465 -13.4237 -13.4237 -10.7851 -10.7851 -9.0407 -9.0407 -8.8572 -8.8572 -8.7888 -8.7888 -3.6651 -3.6651 -3.3277 -3.3277 -2.8204 -2.8204 -0.6601 -0.6601 -0.0860 -0.0860 -0.0806 -0.0806 0.3063 0.3063 1.0808 1.0808 1.4113 1.4113 2.1383 2.1383 2.4307 2.4307 3.2962 3.2962 3.4558 3.4558 3.8032 3.8032 3.8273 3.8273 4.4332 4.4332 4.7636 4.7636 5.5775 5.5775 10.7508 10.7508 12.1645 12.1645 12.1806 12.1806 13.0510 13.0510 13.5634 13.5634 k = 0.0086 0.0140-0.0000 ( 4315 PWs) bands (ev): -13.9463 -13.9462 -13.4237 -13.4237 -10.7845 -10.7844 -9.0580 -9.0556 -8.8446 -8.8416 -8.7885 -8.7882 -3.6686 -3.6685 -3.3222 -3.3217 -2.8195 -2.8193 -0.6604 -0.6597 -0.0870 -0.0866 -0.0800 -0.0798 0.3020 0.3032 1.0859 1.0878 1.4100 1.4108 2.1363 2.1375 2.4307 2.4309 3.2936 3.2941 3.4561 3.4561 3.7978 3.8054 3.8220 3.8295 4.4334 4.4335 4.7627 4.7630 5.5764 5.5768 10.7538 10.7538 12.1666 12.1670 12.1808 12.1812 13.0501 13.0514 13.5635 13.5655 k = 0.0173 0.0279-0.0000 ( 4309 PWs) bands (ev): -13.9454 -13.9454 -13.4238 -13.4238 -10.7825 -10.7825 -9.0974 -9.0938 -8.8125 -8.8078 -8.7872 -8.7867 -3.6783 -3.6781 -3.3058 -3.3048 -2.8167 -2.8163 -0.6607 -0.6595 -0.0898 -0.0891 -0.0781 -0.0779 0.2909 0.2932 1.1028 1.1065 1.4069 1.4084 2.1316 2.1338 2.4309 2.4314 3.2865 3.2876 3.4571 3.4571 3.7889 3.8032 3.8148 3.8291 4.4342 4.4345 4.7602 4.7608 5.5736 5.5743 10.7626 10.7626 12.1734 12.1742 12.1817 12.1825 13.0488 13.0513 13.5656 13.5694 k = 0.0259 0.0419-0.0000 ( 4319 PWs) bands (ev): -13.9441 -13.9441 -13.4239 -13.4239 -10.7793 -10.7792 -9.1472 -9.1433 -8.7857 -8.7845 -8.7724 -8.7673 -3.6922 -3.6920 -3.2804 -3.2790 -2.8120 -2.8114 -0.6614 -0.6594 -0.0944 -0.0933 -0.0752 -0.0747 0.2747 0.2779 1.1303 1.1355 1.4019 1.4041 2.1240 2.1274 2.4312 2.4320 3.2751 3.2768 3.4588 3.4588 3.7758 3.7923 3.8101 3.8265 4.4357 4.4360 4.7561 4.7570 5.5690 5.5701 10.7772 10.7773 12.1832 12.1844 12.1846 12.1858 13.0473 13.0509 13.5689 13.5744 k = 0.0346 0.0559-0.0000 ( 4309 PWs) bands (ev): -13.9422 -13.9422 -13.4242 -13.4242 -10.7747 -10.7746 -9.2022 -9.1983 -8.7826 -8.7812 -8.7313 -8.7255 -3.7085 -3.7084 -3.2480 -3.2462 -2.8054 -2.8046 -0.6625 -0.6599 -0.1008 -0.0993 -0.0713 -0.0707 0.2557 0.2595 1.1666 1.1731 1.3951 1.3980 2.1137 2.1181 2.4315 2.4327 3.2598 3.2620 3.4611 3.4612 3.7579 3.7738 3.8067 3.8225 4.4377 4.4381 4.7503 4.7515 5.5628 5.5643 10.7975 10.7976 12.1855 12.1870 12.2001 12.2017 13.0460 13.0506 13.5722 13.5791 k = 0.0432 0.0698-0.0000 ( 4313 PWs) bands (ev): -13.9398 -13.9398 -13.4245 -13.4244 -10.7689 -10.7688 -9.2604 -9.2566 -8.7788 -8.7772 -8.6905 -8.6843 -3.7256 -3.7256 -3.2102 -3.2081 -2.7968 -2.7958 -0.6647 -0.6614 -0.1090 -0.1071 -0.0668 -0.0661 0.2364 0.2406 1.2100 1.2175 1.3864 1.3900 2.1007 2.1060 2.4318 2.4334 3.2410 3.2437 3.4642 3.4643 3.7350 3.7498 3.8026 3.8173 4.4403 4.4408 4.7427 4.7442 5.5553 5.5570 10.8233 10.8234 12.1883 12.1902 12.2195 12.2216 13.0454 13.0509 13.5739 13.5820 k = 0.0519 0.0838-0.0000 ( 4309 PWs) bands (ev): -13.9368 -13.9368 -13.4248 -13.4248 -10.7617 -10.7616 -9.3206 -9.3170 -8.7742 -8.7723 -8.6514 -8.6449 -3.7423 -3.7422 -3.1684 -3.1661 -2.7864 -2.7852 -0.6683 -0.6643 -0.1191 -0.1168 -0.0622 -0.0613 0.2192 0.2235 1.2587 1.2672 1.3758 1.3801 2.0850 2.0912 2.4318 2.4339 3.2192 3.2225 3.4681 3.4682 3.7070 3.7206 3.7976 3.8111 4.4435 4.4441 4.7332 4.7350 5.5465 5.5486 10.8545 10.8546 12.1915 12.1938 12.2427 12.2452 13.0461 13.0522 13.5726 13.5814 k = 0.0605 0.0978-0.0000 ( 4301 PWs) bands (ev): -13.9334 -13.9334 -13.4252 -13.4252 -10.7533 -10.7531 -9.3824 -9.3789 -8.7688 -8.7666 -8.6145 -8.6076 -3.7578 -3.7576 -3.1235 -3.1210 -2.7740 -2.7726 -0.6741 -0.6693 -0.1310 -0.1284 -0.0580 -0.0569 0.2065 0.2108 1.3116 1.3207 1.3634 1.3683 2.0665 2.0735 2.4315 2.4342 3.1951 3.1989 3.4728 3.4729 3.6739 3.6864 3.7915 3.8041 4.4473 4.4480 4.7217 4.7236 5.5366 5.5391 10.8906 10.8909 12.1952 12.1979 12.2692 12.2721 13.0485 13.0551 13.5670 13.5761 k = 0.0691 0.1117-0.0000 ( 4299 PWs) bands (ev): -13.9295 -13.9294 -13.4257 -13.4256 -10.7435 -10.7433 -9.4453 -9.4420 -8.7626 -8.7601 -8.5801 -8.5730 -3.7715 -3.7711 -3.0762 -3.0736 -2.7597 -2.7581 -0.6825 -0.6770 -0.1450 -0.1419 -0.0542 -0.0531 0.2001 0.2043 1.3486 1.3543 1.3676 1.3774 2.0454 2.0531 2.4308 2.4341 3.1692 3.1736 3.4782 3.4784 3.6360 3.6476 3.7844 3.7962 4.4518 4.4526 4.7079 4.7099 5.5260 5.5288 10.9316 10.9319 12.1991 12.2021 12.2986 12.3020 13.0532 13.0601 13.5567 13.5658 k = 0.0778 0.1257-0.0000 ( 4299 PWs) bands (ev): -13.9251 -13.9250 -13.4262 -13.4262 -10.7324 -10.7322 -9.5090 -9.5058 -8.7556 -8.7528 -8.5485 -8.5411 -3.7831 -3.7825 -3.0271 -3.0244 -2.7436 -2.7417 -0.6941 -0.6879 -0.1609 -0.1575 -0.0509 -0.0497 0.2012 0.2052 1.3322 1.3385 1.4254 1.4357 2.0215 2.0299 2.4294 2.4334 3.1422 3.1472 3.4845 3.4849 3.5936 3.6043 3.7762 3.7874 4.4568 4.4577 4.6917 4.6938 5.5147 5.5178 10.9771 10.9774 12.2031 12.2066 12.3305 12.3344 13.0606 13.0676 13.5420 13.5508 k = 0.0864 0.1397-0.0000 ( 4299 PWs) bands (ev): -13.9202 -13.9201 -13.4267 -13.4267 -10.7200 -10.7197 -9.5733 -9.5703 -8.7479 -8.7448 -8.5198 -8.5122 -3.7922 -3.7915 -2.9766 -2.9737 -2.7255 -2.7235 -0.7094 -0.7024 -0.1790 -0.1751 -0.0473 -0.0460 0.2102 0.2140 1.3137 1.3206 1.4847 1.4953 1.9949 2.0038 2.4274 2.4322 3.1147 3.1202 3.4913 3.4922 3.5474 3.5570 3.7671 3.7778 4.4625 4.4635 4.6729 4.6752 5.5029 5.5063 11.0267 11.0271 12.2070 12.2109 12.3647 12.3690 13.0711 13.0782 13.5236 13.5320 k = 0.0951 0.1536-0.0000 ( 4303 PWs) bands (ev): -13.9149 -13.9148 -13.4274 -13.4273 -10.7062 -10.7060 -9.6380 -9.6352 -8.7394 -8.7360 -8.4941 -8.4864 -3.7988 -3.7979 -2.9250 -2.9221 -2.7056 -2.7034 -0.7283 -0.7208 -0.1992 -0.1949 -0.0425 -0.0412 0.2266 0.2304 1.2931 1.3005 1.5447 1.5557 1.9655 1.9750 2.4245 2.4302 3.0872 3.0933 3.4897 3.4986 3.5070 3.5080 3.7570 3.7673 4.4689 4.4700 4.6516 4.6539 5.4907 5.4944 11.0802 11.0806 12.2108 12.2152 12.4008 12.4055 13.0850 13.0919 13.5026 13.5106 k = 0.1037 0.1676-0.0000 ( 4299 PWs) bands (ev): -13.9091 -13.9091 -13.4280 -13.4280 -10.6912 -10.6909 -9.7029 -9.7003 -8.7302 -8.7266 -8.4716 -8.4637 -3.8028 -3.8018 -2.8727 -2.8696 -2.6838 -2.6814 -0.7509 -0.7428 -0.2216 -0.2169 -0.0355 -0.0343 0.2499 0.2537 1.2704 1.2783 1.6050 1.6163 1.9336 1.9434 2.4208 2.4274 3.0602 3.0668 3.4409 3.4512 3.5109 3.5117 3.7459 3.7560 4.4760 4.4771 4.6276 4.6300 5.4782 5.4822 11.1371 11.1376 12.2143 12.2191 12.4386 12.4436 13.1024 13.1091 13.4801 13.4875 k = 0.1124 0.1816-0.0000 ( 4301 PWs) bands (ev): -13.9030 -13.9029 -13.4287 -13.4287 -10.6748 -10.6744 -9.7679 -9.7655 -8.7204 -8.7164 -8.4521 -8.4441 -3.8043 -3.8031 -2.8198 -2.8167 -2.6602 -2.6576 -0.7768 -0.7682 -0.2463 -0.2413 -0.0257 -0.0246 0.2794 0.2833 1.2453 1.2537 1.6652 1.6767 1.8990 1.9093 2.4163 2.4237 3.0340 3.0411 3.3850 3.3947 3.5216 3.5221 3.7340 3.7438 4.4837 4.4849 4.6009 4.6033 5.4654 5.4697 11.1971 11.1978 12.2174 12.2225 12.4778 12.4833 13.1233 13.1297 13.4569 13.4639 k = 0.1210 0.1956-0.0000 ( 4297 PWs) bands (ev): -13.8965 -13.8964 -13.4295 -13.4295 -10.6571 -10.6567 -9.8329 -9.8306 -8.7099 -8.7057 -8.4358 -8.4276 -3.8032 -3.8020 -2.7667 -2.7635 -2.6348 -2.6319 -0.8054 -0.7965 -0.2734 -0.2680 -0.0127 -0.0116 0.3143 0.3184 1.2180 1.2268 1.7248 1.7366 1.8621 1.8726 2.4109 2.4192 3.0087 3.0164 3.3269 3.3361 3.5336 3.5341 3.7212 3.7308 4.4921 4.4934 4.5717 4.5740 5.4522 5.4568 11.2598 11.2606 12.2199 12.2255 12.5185 12.5243 13.1474 13.1533 13.4341 13.4406 k = 0.1296 0.2095-0.0000 ( 4301 PWs) bands (ev): -13.8897 -13.8896 -13.4303 -13.4303 -10.6380 -10.6376 -9.8976 -9.8955 -8.6989 -8.6944 -8.4225 -8.4142 -3.7999 -3.7985 -2.7134 -2.7103 -2.6075 -2.6044 -0.8361 -0.8269 -0.3029 -0.2972 0.0035 0.0046 0.3543 0.3585 1.1882 1.1975 1.7837 1.7957 1.8229 1.8337 2.4046 2.4138 2.9844 2.9924 3.2676 3.2766 3.5471 3.5475 3.7075 3.7170 4.5012 4.5026 4.5398 4.5421 5.4387 5.4435 11.3249 11.3258 12.2217 12.2277 12.5604 12.5665 13.1742 13.1795 13.4128 13.4187 k = 0.1383 0.2235-0.0000 ( 4305 PWs) bands (ev): -13.8825 -13.8824 -13.4311 -13.4311 -10.6176 -10.6172 -9.9620 -9.9600 -8.6874 -8.6826 -8.4122 -8.4038 -3.7943 -3.7929 -2.6604 -2.6572 -2.5784 -2.5752 -0.8682 -0.8589 -0.3349 -0.3288 0.0228 0.0240 0.3988 0.4032 1.1559 1.1655 1.7817 1.7928 1.8416 1.8537 2.3976 2.4077 2.9604 2.9688 3.2085 3.2173 3.5620 3.5625 3.6931 3.7025 4.5055 4.5078 4.5112 4.5126 5.4247 5.4298 11.3919 11.3930 12.2228 12.2292 12.6034 12.6099 13.2025 13.2071 13.3945 13.3996 k = 0.1469 0.2375-0.0000 ( 4291 PWs) bands (ev): -13.8750 -13.8749 -13.4319 -13.4319 -10.5959 -10.5954 -10.0260 -10.0241 -8.6753 -8.6703 -8.4048 -8.3964 -3.7867 -3.7852 -2.6076 -2.6045 -2.5476 -2.5441 -0.9012 -0.8918 -0.3695 -0.3630 0.0450 0.0463 0.4476 0.4522 1.1208 1.1308 1.7389 1.7503 1.8981 1.9104 2.3899 2.4007 2.9359 2.9446 3.1510 3.1598 3.5784 3.5790 3.6780 3.6873 4.4690 4.4713 4.5217 4.5232 5.4102 5.4154 11.4607 11.4619 12.2231 12.2300 12.6475 12.6543 13.2302 13.2336 13.3817 13.3858 k = 0.1556 0.2514-0.0000 ( 4291 PWs) bands (ev): -13.8673 -13.8672 -13.4328 -13.4328 -10.5728 -10.5723 -10.0894 -10.0877 -8.6629 -8.6576 -8.4002 -8.3917 -3.7774 -3.7758 -2.5553 -2.5522 -2.5150 -2.5113 -0.9343 -0.9248 -0.4066 -0.3998 0.0699 0.0713 0.5002 0.5051 1.0830 1.0933 1.6948 1.7064 1.9531 1.9656 2.3816 2.3931 2.9091 2.9179 3.0974 3.1062 3.5964 3.5971 3.6622 3.6714 4.4304 4.4326 4.5331 4.5346 5.3950 5.4004 11.5308 11.5322 12.2227 12.2300 12.6922 12.6994 13.2531 13.2549 13.3791 13.3816 k = 0.1642 0.2654-0.0000 ( 4295 PWs) bands (ev): -13.8593 -13.8592 -13.4337 -13.4337 -10.5484 -10.5478 -10.1522 -10.1506 -8.6501 -8.6445 -8.3983 -8.3897 -3.7665 -3.7649 -2.5037 -2.5007 -2.4806 -2.4768 -0.9670 -0.9575 -0.4463 -0.4392 0.0972 0.0987 0.5564 0.5615 1.0422 1.0528 1.6497 1.6615 2.0066 2.0192 2.3727 2.3850 2.8776 2.8862 3.0505 3.0596 3.6154 3.6167 3.6465 3.6550 4.3898 4.3919 4.5452 4.5468 5.3790 5.3847 11.6018 11.6035 12.2215 12.2292 12.7370 12.7445 13.2664 13.2666 13.3916 13.3922 k = 0.1729 0.2794-0.0000 ( 4303 PWs) bands (ev): -13.8512 -13.8511 -13.4346 -13.4346 -10.5226 -10.5220 -10.2143 -10.2128 -8.6370 -8.6312 -8.3988 -8.3903 -3.7544 -3.7527 -2.4529 -2.4500 -2.4446 -2.4405 -0.9988 -0.9894 -0.4886 -0.4811 0.1266 0.1283 0.6159 0.6214 0.9983 1.0091 1.6042 1.6162 2.0582 2.0710 2.3635 2.3763 2.8389 2.8473 3.0131 3.0226 3.6243 3.6335 3.6419 3.6427 4.3474 4.3495 4.5582 4.5598 5.3622 5.3680 11.6737 11.6755 12.2197 12.2278 12.7807 12.7886 13.2701 13.2715 13.4174 13.4179 k = 0.1815 0.2933-0.0000 ( 4301 PWs) bands (ev): -13.8428 -13.8427 -13.4355 -13.4355 -10.4956 -10.4949 -10.2755 -10.2741 -8.6237 -8.6176 -8.4017 -8.3932 -3.7412 -3.7396 -2.4070 -2.4030 -2.4029 -2.3997 -1.0293 -1.0199 -0.5333 -0.5255 0.1580 0.1599 0.6785 0.6842 0.9511 0.9621 1.5585 1.5707 2.1081 2.1210 2.3540 2.3673 2.7930 2.8011 2.9856 2.9955 3.6089 3.6190 3.6629 3.6629 4.3035 4.3055 4.5720 4.5737 5.3445 5.3505 11.7460 11.7481 12.2173 12.2258 12.8216 12.8300 13.2729 13.2746 13.4517 13.4525 k = 0.1901 0.3073-0.0000 ( 4305 PWs) bands (ev): -13.8344 -13.8343 -13.4364 -13.4364 -10.4672 -10.4664 -10.3358 -10.3345 -8.6102 -8.6039 -8.4068 -8.3984 -3.7274 -3.7258 -2.3676 -2.3632 -2.3542 -2.3513 -1.0581 -1.0488 -0.5804 -0.5723 0.1912 0.1932 0.7438 0.7498 0.9006 0.9117 1.5132 1.5255 2.1560 2.1690 2.3442 2.3579 2.7420 2.7499 2.9661 2.9762 3.5910 3.6010 3.6878 3.6881 4.2582 4.2601 4.5866 4.5883 5.3258 5.3319 11.8187 11.8209 12.2144 12.2233 12.8575 12.8662 13.2807 13.2824 13.4903 13.4911 k = 0.1988 0.3213-0.0000 ( 4305 PWs) bands (ev): -13.8258 -13.8257 -13.4373 -13.4373 -10.4374 -10.4366 -10.3952 -10.3940 -8.5967 -8.5902 -8.4139 -8.4055 -3.7132 -3.7116 -2.3266 -2.3221 -2.3066 -2.3039 -1.0848 -1.0756 -0.6297 -0.6214 0.2259 0.2281 0.8115 0.8179 0.8466 0.8577 1.4684 1.4809 2.2020 2.2151 2.3342 2.3483 2.6886 2.6964 2.9520 2.9623 3.5724 3.5825 3.7148 3.7152 4.2117 4.2135 4.6020 4.6038 5.3061 5.3124 11.8914 11.8939 12.2112 12.2205 12.8857 12.8946 13.2979 13.2996 13.5307 13.5313 k = 0.2074 0.3352-0.0000 ( 4309 PWs) bands (ev): -13.8172 -13.8171 -13.4382 -13.4382 -10.4535 -10.4524 -10.4064 -10.4055 -8.5832 -8.5764 -8.4228 -8.4145 -3.6988 -3.6972 -2.2841 -2.2794 -2.2604 -2.2578 -1.1092 -1.1001 -0.6811 -0.6726 0.2619 0.2644 0.7891 0.8002 0.8815 0.8882 1.4246 1.4372 2.2461 2.2593 2.3241 2.3384 2.6348 2.6426 2.9415 2.9519 3.5535 3.5636 3.7438 3.7443 4.1641 4.1659 4.6183 4.6201 5.2854 5.2917 11.9641 11.9668 12.2078 12.2175 12.9043 12.9132 13.3271 13.3288 13.5711 13.5714 k = 0.2161 0.3492-0.0000 ( 4313 PWs) bands (ev): -13.8085 -13.8084 -13.4390 -13.4390 -10.5107 -10.5097 -10.3740 -10.3731 -8.5698 -8.5628 -8.4334 -8.4252 -3.6845 -3.6830 -2.2401 -2.2352 -2.2157 -2.2132 -1.1310 -1.1220 -0.7343 -0.7257 0.2992 0.3018 0.7281 0.7391 0.9534 0.9603 1.3819 1.3946 2.2882 2.3016 2.3137 2.3281 2.5821 2.5899 2.9335 2.9439 3.5343 3.5445 3.7746 3.7752 4.1157 4.1173 4.6355 4.6373 5.2637 5.2701 12.0366 12.0395 12.2044 12.2145 12.9131 12.9217 13.3685 13.3704 13.6105 13.6105 k = 0.2247 0.3632-0.0000 ( 4305 PWs) bands (ev): -13.7998 -13.7997 -13.4399 -13.4399 -10.5667 -10.5657 -10.3404 -10.3395 -8.5566 -8.5494 -8.4454 -8.4374 -3.6706 -3.6691 -2.1946 -2.1895 -2.1726 -2.1702 -1.1500 -1.1412 -0.7892 -0.7803 0.3374 0.3402 0.6636 0.6745 1.0268 1.0341 1.3405 1.3533 2.3023 2.3172 2.3292 2.3422 2.5316 2.5395 2.9270 2.9373 3.5149 3.5252 3.8073 3.8080 4.0665 4.0681 4.6535 4.6554 5.2410 5.2475 12.1088 12.1119 12.2010 12.2115 12.9134 12.9216 13.4208 13.4229 13.6477 13.6478 k = 0.2334 0.3771-0.0000 ( 4301 PWs) bands (ev): -13.7912 -13.7911 -13.4406 -13.4406 -10.6215 -10.6206 -10.3055 -10.3045 -8.5437 -8.5363 -8.4588 -8.4508 -3.6573 -3.6558 -2.1478 -2.1425 -2.1310 -2.1289 -1.1660 -1.1574 -0.8453 -0.8363 0.3763 0.3794 0.5958 0.6064 1.1016 1.1092 1.3004 1.3132 2.2906 2.3054 2.3678 2.3810 2.4843 2.4922 2.9214 2.9316 3.4956 3.5060 3.8418 3.8426 4.0168 4.0183 4.6724 4.6743 5.2173 5.2239 12.1804 12.1837 12.1980 12.2088 12.9073 12.9151 13.4814 13.4838 13.6764 13.6821 k = 0.2420 0.3911-0.0000 ( 4301 PWs) bands (ev): -13.7826 -13.7825 -13.4414 -13.4414 -10.6749 -10.6741 -10.2694 -10.2683 -8.5312 -8.5237 -8.4732 -8.4654 -3.6448 -3.6434 -2.0998 -2.0943 -2.0912 -2.0892 -1.1790 -1.1706 -0.9024 -0.8932 0.4159 0.4192 0.5248 0.5352 1.1774 1.1853 1.2616 1.2745 2.2776 2.2920 2.4049 2.4180 2.4415 2.4490 2.9163 2.9264 3.4763 3.4868 3.8779 3.8789 3.9668 3.9681 4.6921 4.6941 5.1928 5.1994 12.1950 12.2063 12.2516 12.2552 12.8966 12.9040 13.5480 13.5506 13.6443 13.6552 k = 0.2506 0.4051-0.0000 ( 4293 PWs) bands (ev): -13.7741 -13.7740 -13.4421 -13.4421 -10.7271 -10.7263 -10.2320 -10.2308 -8.5193 -8.5115 -8.4886 -8.4810 -3.6332 -3.6319 -2.0540 -2.0516 -2.0497 -2.0446 -1.1888 -1.1806 -0.9600 -0.9507 0.4509 0.4557 0.4592 0.4611 1.2241 1.2365 1.2544 1.2621 2.2624 2.2760 2.4034 2.4106 2.4411 2.4545 2.9113 2.9212 3.4573 3.4679 3.9151 3.9152 3.9171 3.9193 4.7127 4.7148 5.1674 5.1740 12.1926 12.2043 12.3216 12.3256 12.8830 12.8901 13.6014 13.6111 13.6188 13.6209 k = 0.2593 0.4190-0.0000 ( 4305 PWs) bands (ev): -13.7657 -13.7656 -13.4427 -13.4427 -10.7778 -10.7771 -10.1935 -10.1922 -8.5079 -8.5048 -8.5001 -8.4974 -3.6228 -3.6215 -2.0174 -2.0156 -1.9997 -1.9941 -1.1956 -1.1876 -1.0177 -1.0083 0.3743 0.3842 0.4957 0.4994 1.1877 1.2004 1.3309 1.3393 2.2442 2.2563 2.3729 2.3787 2.4756 2.4890 2.9061 2.9157 3.4387 3.4494 3.8661 3.8670 3.9552 3.9565 4.7341 4.7362 5.1413 5.1479 12.1908 12.2029 12.3904 12.3946 12.8678 12.8746 13.5525 13.5620 13.6899 13.6921 k = 0.2679 0.4330-0.0000 ( 4311 PWs) bands (ev): -13.7575 -13.7574 -13.4433 -13.4433 -10.8271 -10.8264 -10.1538 -10.1524 -8.5217 -8.5144 -8.4974 -8.4894 -3.6136 -3.6124 -1.9831 -1.9814 -1.9485 -1.9428 -1.1992 -1.1914 -1.0750 -1.0656 0.2954 0.3049 0.5356 0.5395 1.1522 1.1650 1.4080 1.4166 2.2227 2.2325 2.3495 2.3535 2.5091 2.5226 2.9004 2.9096 3.4206 3.4314 3.8160 3.8167 3.9961 3.9975 4.7563 4.7585 5.1146 5.1212 12.1895 12.2019 12.4569 12.4615 12.8524 12.8590 13.4988 13.5078 13.7553 13.7558 k = 0.2766 0.4470-0.0000 ( 4311 PWs) bands (ev): -13.7495 -13.7494 -13.4437 -13.4437 -10.8749 -10.8743 -10.1129 -10.1115 -8.5390 -8.5319 -8.4877 -8.4795 -3.6058 -3.6045 -1.9506 -1.9491 -1.8966 -1.8908 -1.1999 -1.1922 -1.1312 -1.1218 0.2144 0.2236 0.5751 0.5792 1.1175 1.1303 1.4848 1.4937 2.1984 2.2059 2.3325 2.3345 2.5417 2.5552 2.8939 2.9026 3.4032 3.4141 3.7662 3.7666 4.0384 4.0400 4.7792 4.7815 5.0873 5.0939 12.1887 12.2016 12.5198 12.5246 12.8389 12.8453 13.4417 13.4502 13.7878 13.7879 k = 0.2852 0.4609-0.0000 ( 4303 PWs) bands (ev): -13.7417 -13.7416 -13.4441 -13.4441 -10.9211 -10.9206 -10.0710 -10.0694 -8.5567 -8.5498 -8.4790 -8.4707 -3.5992 -3.5980 -1.9199 -1.9185 -1.8446 -1.8388 -1.1987 -1.1902 -1.1847 -1.1763 0.1317 0.1406 0.6139 0.6182 1.0834 1.0962 1.5612 1.5704 2.1725 2.1780 2.3200 2.3204 2.5736 2.5871 2.8862 2.8945 3.3867 3.3976 3.7169 3.7170 4.0820 4.0837 4.8029 4.8052 5.0596 5.0662 12.1886 12.2018 12.5759 12.5808 12.8307 12.8367 13.3825 13.3905 13.8009 13.8012 k = 0.2939 0.4749-0.0000 ( 4295 PWs) bands (ev): -13.7341 -13.7340 -13.4444 -13.4444 -10.9658 -10.9654 -10.0280 -10.0263 -8.5746 -8.5679 -8.4714 -8.4630 -3.5941 -3.5929 -1.8909 -1.8897 -1.7930 -1.7873 -1.2384 -1.2281 -1.1918 -1.1854 0.0476 0.0561 0.6519 0.6563 1.0496 1.0623 1.6367 1.6462 2.1466 2.1506 2.3100 2.3106 2.6049 2.6184 2.8773 2.8849 3.3712 3.3822 3.6681 3.6684 4.1268 4.1287 4.8272 4.8296 5.0316 5.0381 12.1890 12.2025 12.6192 12.6237 12.8343 12.8395 13.3225 13.3300 13.8080 13.8083 k = 0.3025 0.4889-0.0000 ( 4295 PWs) bands (ev): -13.7268 -13.7267 -13.4446 -13.4446 -11.0090 -11.0085 -9.9840 -9.9823 -8.5926 -8.5862 -8.4651 -8.4566 -3.5902 -3.5891 -1.8636 -1.8624 -1.7432 -1.7376 -1.2859 -1.2756 -1.1846 -1.1782 -0.0375 -0.0294 0.6888 0.6934 1.0158 1.0286 1.7112 1.7208 2.1215 2.1245 2.3021 2.3032 2.6357 2.6493 2.8667 2.8736 3.3569 3.3679 3.6202 3.6209 4.1728 4.1749 4.8521 4.8546 5.0034 5.0099 12.1898 12.2036 12.6426 12.6456 12.8575 12.8608 13.2625 13.2696 13.8110 13.8113 k = 0.3111 0.5028-0.0000 ( 4295 PWs) bands (ev): -13.7198 -13.7197 -13.4448 -13.4448 -11.0504 -11.0501 -9.9391 -9.9372 -8.6105 -8.6043 -8.4601 -8.4516 -3.5877 -3.5866 -1.8378 -1.8367 -1.6975 -1.6921 -1.3267 -1.3161 -1.1749 -1.1688 -0.1233 -0.1156 0.7244 0.7291 0.9820 0.9947 1.7842 1.7940 2.0981 2.1004 2.2960 2.2973 2.6663 2.6798 2.8545 2.8605 3.3437 3.3548 3.5733 3.5746 4.2198 4.2220 4.8775 4.8801 4.9752 4.9815 12.1910 12.2050 12.6456 12.6470 12.9000 12.9013 13.2037 13.2103 13.8107 13.8111 k = 0.3198 0.5168-0.0000 ( 4299 PWs) bands (ev): -13.7131 -13.7130 -13.4448 -13.4448 -11.0903 -11.0899 -9.8933 -9.8913 -8.6283 -8.6224 -8.4567 -8.4481 -3.5864 -3.5853 -1.8134 -1.8125 -1.6601 -1.6551 -1.3560 -1.3450 -1.1633 -1.1575 -0.2096 -0.2022 0.7585 0.7632 0.9477 0.9605 1.8555 1.8655 2.0768 2.0785 2.2912 2.2925 2.6965 2.7100 2.8403 2.8454 3.3318 3.3430 3.5278 3.5299 4.2677 4.2701 4.9033 4.9060 4.9470 4.9533 12.1924 12.2065 12.6352 12.6355 12.9541 12.9542 13.1468 13.1529 13.8078 13.8081 k = 0.3284 0.5308-0.0000 ( 4303 PWs) bands (ev): -13.7067 -13.7066 -13.4447 -13.4447 -11.1284 -11.1281 -9.8467 -9.8446 -8.6459 -8.6402 -8.4548 -8.4462 -3.5862 -3.5851 -1.7904 -1.7896 -1.6378 -1.6331 -1.3669 -1.3556 -1.1500 -1.1445 -0.2959 -0.2889 0.7909 0.7957 0.9129 0.9257 1.9248 1.9348 2.0577 2.0591 2.2875 2.2884 2.7267 2.7400 2.8242 2.8282 3.3210 3.3324 3.4839 3.4869 4.3164 4.3190 4.9191 4.9250 4.9294 4.9325 12.1937 12.2078 12.6175 12.6178 13.0129 13.0140 13.0927 13.0983 13.8027 13.8029 k = 0.3371 0.5448-0.0000 ( 4311 PWs) bands (ev): -13.7006 -13.7005 -13.4445 -13.4445 -11.1648 -11.1645 -9.7994 -9.7971 -8.6632 -8.6577 -8.4547 -8.4461 -3.5871 -3.5860 -1.7687 -1.7679 -1.6356 -1.6310 -1.3540 -1.3427 -1.1353 -1.1301 -0.3820 -0.3754 0.8215 0.8262 0.8773 0.8901 1.9918 2.0018 2.0411 2.0422 2.2846 2.2851 2.7566 2.7699 2.8060 2.8090 3.3112 3.3231 3.4419 3.4461 4.3657 4.3685 4.8915 4.8974 4.9557 4.9587 12.1947 12.2087 12.5961 12.5968 13.0417 13.0467 13.0748 13.0765 13.7958 13.7959 k = 0.3457 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6949 -13.6948 -13.4443 -13.4443 -11.1995 -11.1992 -9.7513 -9.7490 -8.6800 -8.6748 -8.4564 -8.4478 -3.5888 -3.5878 -1.7482 -1.7474 -1.6504 -1.6455 -1.3204 -1.3094 -1.1196 -1.1147 -0.4676 -0.4613 0.8404 0.8492 0.8545 0.8553 2.0267 2.0278 2.0562 2.0665 2.2823 2.2824 2.7854 2.7859 2.7888 2.7996 3.3020 3.3148 3.4021 3.4080 4.4156 4.4185 4.8643 4.8701 4.9821 4.9852 12.1951 12.2089 12.5731 12.5740 12.9955 12.9997 13.1372 13.1394 13.7875 13.7875 k = 0.3457 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6949 -13.6948 -13.4443 -13.4443 -11.1995 -11.1992 -9.7513 -9.7490 -8.6800 -8.6748 -8.4564 -8.4478 -3.5888 -3.5878 -1.7482 -1.7474 -1.6504 -1.6455 -1.3204 -1.3094 -1.1196 -1.1147 -0.4676 -0.4613 0.8404 0.8492 0.8545 0.8553 2.0267 2.0278 2.0562 2.0665 2.2823 2.2824 2.7854 2.7859 2.7888 2.7996 3.3020 3.3148 3.4021 3.4080 4.4156 4.4185 4.8643 4.8701 4.9821 4.9852 12.1951 12.2089 12.5731 12.5740 12.9955 12.9997 13.1372 13.1394 13.7875 13.7875 k = 0.3293 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6981 -13.6980 -13.4445 -13.4445 -11.1806 -11.1803 -9.7771 -9.7748 -8.6711 -8.6658 -8.4552 -8.4466 -3.5873 -3.5863 -1.7808 -1.7799 -1.6230 -1.6189 -1.3397 -1.3285 -1.1260 -1.1210 -0.4213 -0.4148 0.8333 0.8380 0.8623 0.8749 2.0153 2.0228 2.0404 2.0443 2.2834 2.2836 2.7621 2.7736 2.8051 2.8097 3.3067 3.3190 3.4237 3.4286 4.3893 4.3921 4.8779 4.8836 4.9694 4.9724 12.1956 12.2095 12.5843 12.5853 13.0152 13.0198 13.1061 13.1078 13.7845 13.7853 k = 0.3128 0.5587-0.0000 ( 4300 PWs) bands (ev): -13.7016 -13.7016 -13.4449 -13.4449 -11.1597 -11.1595 -9.8036 -9.8014 -8.6621 -8.6566 -8.4543 -8.4457 -3.5848 -3.5838 -1.8350 -1.8340 -1.5859 -1.5826 -1.3533 -1.3420 -1.1280 -1.1229 -0.3726 -0.3661 0.8137 0.8184 0.8861 0.8989 1.9763 1.9858 2.0507 2.0525 2.2838 2.2844 2.7374 2.7498 2.8247 2.8289 3.3112 3.3231 3.4472 3.4515 4.3634 4.3661 4.8889 4.8942 4.9609 4.9633 12.1973 12.2113 12.5931 12.5944 13.0225 13.0264 13.0846 13.0848 13.7791 13.7806 k = 0.2963 0.5587-0.0000 ( 4301 PWs) bands (ev): -13.7056 -13.7055 -13.4454 -13.4454 -11.1370 -11.1367 -9.8308 -9.8286 -8.6528 -8.6473 -8.4538 -8.4452 -3.5814 -3.5802 -1.8970 -1.8961 -1.5544 -1.5515 -1.3601 -1.3489 -1.1244 -1.1192 -0.3223 -0.3156 0.7913 0.7959 0.9126 0.9254 1.9334 1.9432 2.0636 2.0649 2.2829 2.2839 2.7130 2.7259 2.8443 2.8484 3.3153 3.3270 3.4717 3.4758 4.3384 4.3410 4.8944 4.8984 4.9595 4.9606 12.2008 12.2148 12.5995 12.6012 13.0085 13.0104 13.0784 13.0810 13.7784 13.7805 k = 0.2799 0.5587-0.0000 ( 4299 PWs) bands (ev): -13.7097 -13.7096 -13.4461 -13.4461 -11.1124 -11.1120 -9.8586 -9.8565 -8.6435 -8.6378 -8.4536 -8.4450 -3.5767 -3.5755 -1.9631 -1.9621 -1.5335 -1.5305 -1.3598 -1.3491 -1.1140 -1.1088 -0.2708 -0.2640 0.7667 0.7713 0.9416 0.9544 1.8878 1.8978 2.0778 2.0787 2.2800 2.2812 2.6897 2.7028 2.8641 2.8682 3.3189 3.3304 3.4965 3.5006 4.3147 4.3170 4.8929 4.8951 4.9655 4.9667 12.2064 12.2203 12.6037 12.6059 12.9816 12.9828 13.0796 13.0839 13.7846 13.7871 k = 0.2634 0.5587-0.0000 ( 4311 PWs) bands (ev): -13.7141 -13.7140 -13.4469 -13.4469 -11.0861 -11.0857 -9.8872 -9.8851 -8.6340 -8.6282 -8.4537 -8.4451 -3.5708 -3.5695 -2.0313 -2.0305 -1.5237 -1.5206 -1.3541 -1.3444 -1.0953 -1.0901 -0.2186 -0.2118 0.7405 0.7449 0.9729 0.9857 1.8398 1.8499 2.0929 2.0936 2.2742 2.2758 2.6683 2.6814 2.8839 2.8879 3.3218 3.3332 3.5209 3.5250 4.2926 4.2947 4.8863 4.8875 4.9762 4.9787 12.2142 12.2280 12.6060 12.6088 12.9517 12.9529 13.0787 13.0837 13.7983 13.8010 k = 0.2469 0.5587-0.0000 ( 4313 PWs) bands (ev): -13.7185 -13.7185 -13.4479 -13.4478 -11.0583 -11.0579 -9.9164 -9.9144 -8.6245 -8.6185 -8.4541 -8.4456 -3.5634 -3.5621 -2.1007 -2.0999 -1.5227 -1.5193 -1.3467 -1.3384 -1.0678 -1.0628 -0.1663 -0.1595 0.7132 0.7175 1.0064 1.0191 1.7899 1.8000 2.1080 2.1093 2.2652 2.2672 2.6494 2.6623 2.9037 2.9077 3.3239 3.3352 3.5441 3.5484 4.2725 4.2744 4.8777 4.8787 4.9895 4.9928 12.2243 12.2380 12.6068 12.6101 12.9218 12.9232 13.0729 13.0784 13.8194 13.8222 k = 0.2305 0.5587-0.0000 ( 4312 PWs) bands (ev): -13.7230 -13.7229 -13.4489 -13.4489 -11.0290 -11.0286 -9.9463 -9.9444 -8.6150 -8.6089 -8.4549 -8.4464 -3.5545 -3.5532 -2.1705 -2.1698 -1.5269 -1.5234 -1.3406 -1.3336 -1.0325 -1.0276 -0.1145 -0.1078 0.6856 0.6896 1.0419 1.0546 1.7382 1.7483 2.1222 2.1249 2.2529 2.2558 2.6336 2.6461 2.9233 2.9273 3.3249 3.3362 3.5656 3.5702 4.2548 4.2565 4.8688 4.8698 5.0037 5.0073 12.2368 12.2503 12.6064 12.6102 12.8928 12.8944 13.0623 13.0680 13.8472 13.8499 k = 0.2140 0.5587-0.0000 ( 4315 PWs) bands (ev): -13.7275 -13.7274 -13.4501 -13.4500 -10.9985 -10.9981 -9.9768 -9.9750 -8.6055 -8.5993 -8.4560 -8.4475 -3.5441 -3.5426 -2.2401 -2.2393 -1.5340 -1.5304 -1.3369 -1.3310 -0.9912 -0.9864 -0.0639 -0.0574 0.6586 0.6622 1.0792 1.0919 1.6849 1.6950 2.1335 2.1385 2.2387 2.2431 2.6211 2.6329 2.9429 2.9469 3.3247 3.3360 3.5849 3.5898 4.2398 4.2412 4.8605 4.8616 5.0178 5.0216 12.2516 12.2649 12.6053 12.6096 12.8650 12.8669 13.0475 13.0533 13.8802 13.8829 k = 0.1976 0.5587-0.0000 ( 4314 PWs) bands (ev): -13.7319 -13.7318 -13.4513 -13.4512 -10.9669 -10.9665 -10.0079 -10.0062 -8.5962 -8.5898 -8.4574 -8.4490 -3.5319 -3.5304 -2.3088 -2.3081 -1.5424 -1.5389 -1.3353 -1.3303 -0.9456 -0.9410 -0.0155 -0.0093 0.6333 0.6364 1.1183 1.1310 1.6302 1.6403 2.1372 2.1456 2.2268 2.2338 2.6116 2.6226 2.9622 2.9662 3.3231 3.3344 3.6017 3.6068 4.2275 4.2287 4.8532 4.8544 5.0313 5.0352 12.2685 12.2817 12.6039 12.6087 12.8385 12.8408 13.0296 13.0354 13.9173 13.9199 k = 0.1811 0.5587-0.0000 ( 4318 PWs) bands (ev): -13.7361 -13.7360 -13.4525 -13.4524 -10.9345 -10.9340 -10.0395 -10.0378 -8.5869 -8.5805 -8.4591 -8.4507 -3.5181 -3.5166 -2.3763 -2.3756 -1.5514 -1.5480 -1.3353 -1.3311 -0.8976 -0.8930 0.0295 0.0351 0.6112 0.6136 1.1589 1.1716 1.5744 1.5844 2.1279 2.1387 2.2250 2.2334 2.6048 2.6150 2.9813 2.9853 3.3201 3.3311 3.6158 3.6212 4.2180 4.2191 4.8471 4.8483 5.0440 5.0479 12.2875 12.3004 12.6027 12.6079 12.8134 12.8160 13.0094 13.0151 13.9565 13.9592 k = 0.1646 0.5587-0.0000 ( 4323 PWs) bands (ev): -13.7401 -13.7400 -13.4537 -13.4537 -10.9013 -10.9008 -10.0715 -10.0699 -8.5778 -8.5713 -8.4611 -8.4528 -3.5026 -3.5010 -2.4421 -2.4414 -1.5603 -1.5572 -1.3364 -1.3328 -0.8483 -0.8439 0.0693 0.0741 0.5942 0.5957 1.2010 1.2136 1.5176 1.5275 2.1055 2.1167 2.2346 2.2424 2.6001 2.6095 3.0001 3.0041 3.3154 3.3262 3.6274 3.6329 4.2111 4.2122 4.8422 4.8435 5.0556 5.0594 12.3082 12.3208 12.6021 12.6075 12.7897 12.7925 12.9876 12.9933 13.9929 13.9962 k = 0.1482 0.5587-0.0000 ( 4327 PWs) bands (ev): -13.7439 -13.7438 -13.4549 -13.4549 -10.8676 -10.8671 -10.1038 -10.1023 -8.5689 -8.5623 -8.4634 -8.4552 -3.4854 -3.4839 -2.5058 -2.5050 -1.5689 -1.5660 -1.3381 -1.3350 -0.7989 -0.7945 0.1017 0.1055 0.5848 0.5853 1.2442 1.2567 1.4600 1.4699 2.0746 2.0856 2.2497 2.2565 2.5969 2.6055 3.0186 3.0227 3.3090 3.3195 3.6365 3.6421 4.2066 4.2078 4.8387 4.8400 5.0661 5.0698 12.3302 12.3426 12.6024 12.6080 12.7674 12.7704 12.9650 12.9707 13.9942 13.9969 k = 0.1317 0.5587-0.0000 ( 4319 PWs) bands (ev): -13.7474 -13.7473 -13.4561 -13.4560 -10.8338 -10.8333 -10.1361 -10.1347 -8.5603 -8.5535 -8.4661 -8.4579 -3.4668 -3.4653 -2.5668 -2.5661 -1.5770 -1.5744 -1.3400 -1.3374 -0.7501 -0.7459 0.1247 0.1272 0.5843 0.5857 1.2884 1.3009 1.4020 1.4117 2.0384 2.0494 2.2668 2.2728 2.5948 2.6026 3.0367 3.0409 3.3009 3.3111 3.6436 3.6490 4.2042 4.2053 4.8365 4.8378 5.0753 5.0788 12.3532 12.3652 12.6039 12.6096 12.7468 12.7497 12.9420 12.9476 13.9688 13.9718 k = 0.1152 0.5587-0.0000 ( 4317 PWs) bands (ev): -13.7505 -13.7505 -13.4572 -13.4571 -10.8001 -10.7996 -10.1682 -10.1669 -8.5519 -8.5451 -8.4691 -8.4610 -3.4470 -3.4455 -2.6247 -2.6239 -1.5844 -1.5820 -1.3420 -1.3398 -0.7029 -0.6989 0.1368 0.1381 0.5950 0.5979 1.3312 1.3434 1.3465 1.3550 1.9989 2.0098 2.2842 2.2894 2.5933 2.6004 3.0546 3.0588 3.2913 3.3009 3.6490 3.6541 4.2033 4.2045 4.8354 4.8366 5.0833 5.0865 12.3765 12.3881 12.6065 12.6120 12.7283 12.7309 12.9188 12.9244 13.9413 13.9443 k = 0.0988 0.5587-0.0000 ( 4318 PWs) bands (ev): -13.7533 -13.7533 -13.4582 -13.4581 -10.7671 -10.7665 -10.1998 -10.1985 -8.5438 -8.5369 -8.4724 -8.4644 -3.4264 -3.4250 -2.6788 -2.6780 -1.5909 -1.5889 -1.3439 -1.3421 -0.6580 -0.6542 0.1385 0.1387 0.6171 0.6214 1.2843 1.2939 1.3801 1.3923 1.9570 1.9681 2.3009 2.3055 2.5922 2.5985 3.0721 3.0764 3.2802 3.2893 3.6531 3.6577 4.2035 4.2046 4.8352 4.8363 5.0901 5.0930 12.3997 12.4107 12.6097 12.6149 12.7129 12.7149 12.8955 12.9012 13.9145 13.9173 k = 0.0823 0.5587-0.0000 ( 4326 PWs) bands (ev): -13.7558 -13.7557 -13.4591 -13.4590 -10.7352 -10.7347 -10.2302 -10.2291 -8.5361 -8.5292 -8.4760 -8.4682 -3.4056 -3.4043 -2.7282 -2.7274 -1.5965 -1.5948 -1.3456 -1.3441 -0.6163 -0.6129 0.1313 0.1321 0.6490 0.6544 1.2263 1.2356 1.4263 1.4384 1.9136 1.9247 2.3164 2.3204 2.5914 2.5968 3.0892 3.0936 3.2680 3.2764 3.6561 3.6601 4.2044 4.2055 4.8357 4.8368 5.0956 5.0981 12.4221 12.4325 12.6117 12.6167 12.7022 12.7043 12.8722 12.8780 13.8894 13.8919 k = 0.0659 0.5587-0.0000 ( 4324 PWs) bands (ev): -13.7578 -13.7578 -13.4598 -13.4598 -10.7054 -10.7049 -10.2587 -10.2578 -8.5288 -8.5218 -8.4799 -8.4722 -3.3854 -3.3843 -2.7720 -2.7713 -1.6012 -1.5998 -1.3471 -1.3459 -0.5791 -0.5761 0.1193 0.1205 0.6881 0.6942 1.1690 1.1779 1.4729 1.4848 1.8692 1.8803 2.3301 2.3334 2.5906 2.5951 3.1058 3.1102 3.2550 3.2627 3.6584 3.6617 4.2056 4.2065 4.8367 4.8376 5.1000 5.1021 12.4431 12.4526 12.6101 12.6153 12.6983 12.7019 12.8489 12.8549 13.8671 13.8692 k = 0.0494 0.5587-0.0000 ( 4328 PWs) bands (ev): -13.7594 -13.7594 -13.4604 -13.4604 -10.6790 -10.6785 -10.2842 -10.2833 -8.5219 -8.5151 -8.4839 -8.4766 -3.3671 -3.3661 -2.8088 -2.8082 -1.6049 -1.6038 -1.3482 -1.3473 -0.5476 -0.5452 0.1058 0.1071 0.7313 0.7379 1.1136 1.1220 1.5191 1.5307 1.8246 1.8356 2.3415 2.3440 2.5901 2.5936 3.1217 3.1259 3.2418 3.2486 3.6601 3.6627 4.2069 4.2076 4.8379 4.8386 5.1034 5.1050 12.4621 12.4704 12.6041 12.6095 12.7030 12.7082 12.8257 12.8318 13.8486 13.8502 k = 0.0329 0.5587-0.0000 ( 4330 PWs) bands (ev): -13.7605 -13.7605 -13.4608 -13.4608 -10.6575 -10.6571 -10.3048 -10.3042 -8.5155 -8.5092 -8.4878 -8.4812 -3.3520 -3.3513 -2.8370 -2.8365 -1.6074 -1.6067 -1.3490 -1.3484 -0.5234 -0.5217 0.0938 0.0948 0.7753 0.7816 1.0624 1.0698 1.5642 1.5750 1.7812 1.7916 2.3501 2.3519 2.5897 2.5921 3.1362 3.1400 3.2294 3.2350 3.6614 3.6631 4.2080 4.2085 4.8390 4.8395 5.1058 5.1069 12.4782 12.4848 12.5962 12.6010 12.7152 12.7211 12.8028 12.8089 13.8347 13.8359 k = 0.0165 0.5587-0.0000 ( 4332 PWs) bands (ev): -13.7612 -13.7612 -13.4611 -13.4611 -10.6431 -10.6429 -10.3185 -10.3182 -8.5098 -8.5053 -8.4905 -8.4858 -3.3420 -3.3416 -2.8548 -2.8546 -1.6089 -1.6086 -1.3494 -1.3491 -0.5078 -0.5069 0.0856 0.0862 0.8139 0.8184 1.0216 1.0267 1.6050 1.6134 1.7432 1.7515 2.3556 2.3565 2.5897 2.5910 3.1479 3.1505 3.2201 3.2235 3.6623 3.6632 4.2087 4.2090 4.8398 4.8401 5.1073 5.1078 12.4903 12.4941 12.5898 12.5928 12.7316 12.7373 12.7814 12.7871 13.8262 13.8268 k = 0.0000 0.5587-0.0000 ( 4332 PWs) bands (ev): -13.7614 -13.7614 -13.4612 -13.4612 -10.6379 -10.6379 -10.3232 -10.3232 -8.5057 -8.5057 -8.4896 -8.4896 -3.3383 -3.3383 -2.8608 -2.8608 -1.6093 -1.6093 -1.3494 -1.3494 -0.5022 -0.5022 0.0829 0.0829 0.8329 0.8329 1.0060 1.0060 1.6289 1.6289 1.7279 1.7279 2.3578 2.3578 2.5902 2.5902 3.1537 3.1537 3.2176 3.2176 3.6629 3.6629 4.2091 4.2091 4.8402 4.8402 5.1080 5.1080 12.4961 12.4961 12.5884 12.5884 12.7457 12.7457 12.7714 12.7714 13.8235 13.8235 k = 0.0000 0.5587-0.0000 ( 4332 PWs) bands (ev): -13.7614 -13.7614 -13.4612 -13.4612 -10.6379 -10.6379 -10.3232 -10.3232 -8.5057 -8.5057 -8.4896 -8.4896 -3.3383 -3.3383 -2.8608 -2.8608 -1.6093 -1.6093 -1.3494 -1.3494 -0.5022 -0.5022 0.0829 0.0829 0.8329 0.8329 1.0060 1.0060 1.6289 1.6289 1.7279 1.7279 2.3578 2.3578 2.5902 2.5902 3.1537 3.1537 3.2176 3.2176 3.6629 3.6629 4.2091 4.2091 4.8402 4.8402 5.1080 5.1080 12.4961 12.4961 12.5884 12.5884 12.7457 12.7457 12.7714 12.7714 13.8235 13.8235 k = 0.0000 0.5587 0.0163 ( 4332 PWs) bands (ev): -13.7612 -13.7612 -13.4613 -13.4613 -10.6371 -10.6371 -10.3226 -10.3225 -8.5074 -8.5073 -8.4914 -8.4914 -3.3378 -3.3377 -2.8604 -2.8603 -1.6086 -1.6085 -1.3473 -1.3469 -0.5005 -0.5003 0.0830 0.0831 0.8305 0.8305 1.0035 1.0037 1.6283 1.6284 1.7290 1.7290 2.3560 2.3560 2.5909 2.5909 3.1550 3.1551 3.2185 3.2187 3.6624 3.6626 4.2095 4.2097 4.8400 4.8400 5.1077 5.1077 12.4916 12.4920 12.5845 12.5850 12.7434 12.7440 12.7745 12.7748 13.8272 13.8273 k = 0.0000 0.5587 0.0327 ( 4338 PWs) bands (ev): -13.7606 -13.7606 -13.4616 -13.4616 -10.6346 -10.6345 -10.3206 -10.3205 -8.5122 -8.5120 -8.4968 -8.4968 -3.3362 -3.3359 -2.8591 -2.8588 -1.6063 -1.6062 -1.3404 -1.3398 -0.4952 -0.4948 0.0833 0.0834 0.8235 0.8235 0.9964 0.9968 1.6269 1.6271 1.7323 1.7324 2.3504 2.3505 2.5931 2.5931 3.1590 3.1591 3.2214 3.2219 3.6613 3.6616 4.2110 4.2113 4.8395 4.8396 5.1068 5.1068 12.4792 12.4799 12.5733 12.5744 12.7372 12.7384 12.7837 12.7843 13.8380 13.8381 k = 0.0000 0.5587 0.0490 ( 4332 PWs) bands (ev): -13.7595 -13.7595 -13.4622 -13.4622 -10.6303 -10.6303 -10.3172 -10.3170 -8.5202 -8.5198 -8.5058 -8.5058 -3.3333 -3.3329 -2.8568 -2.8564 -1.6025 -1.6024 -1.3289 -1.3280 -0.4862 -0.4856 0.0837 0.0839 0.8121 0.8121 0.9849 0.9854 1.6244 1.6247 1.7375 1.7377 2.3416 2.3417 2.5966 2.5968 3.1654 3.1656 3.2264 3.2272 3.6593 3.6598 4.2135 4.2140 4.8387 4.8388 5.1054 5.1054 12.4603 12.4611 12.5552 12.5567 12.7279 12.7294 12.7979 12.7987 13.8545 13.8545 k = 0.0000 0.5587 0.0653 ( 4322 PWs) bands (ev): -13.7580 -13.7580 -13.4631 -13.4630 -10.6244 -10.6244 -10.3124 -10.3123 -8.5314 -8.5308 -8.5183 -8.5182 -3.3294 -3.3288 -2.8536 -2.8531 -1.5973 -1.5971 -1.3130 -1.3117 -0.4737 -0.4729 0.0843 0.0845 0.7965 0.7966 0.9694 0.9700 1.6209 1.6213 1.7443 1.7446 2.3298 2.3299 2.6015 2.6016 3.1738 3.1740 3.2334 3.2343 3.6566 3.6573 4.2170 4.2176 4.8375 4.8376 5.1034 5.1034 12.4364 12.4374 12.5306 12.5323 12.7163 12.7180 12.8158 12.8168 13.8747 13.8748 k = 0.0000 0.5587 0.0817 ( 4326 PWs) bands (ev): -13.7561 -13.7560 -13.4641 -13.4641 -10.6168 -10.6168 -10.3064 -10.3061 -8.5456 -8.5448 -8.5342 -8.5340 -3.3243 -3.3235 -2.8496 -2.8490 -1.5907 -1.5904 -1.2927 -1.2911 -0.4575 -0.4565 0.0850 0.0852 0.7773 0.7774 0.9502 0.9510 1.6163 1.6167 1.7522 1.7525 2.3156 2.3158 2.6074 2.6076 3.1837 3.1840 3.2422 3.2434 3.6531 3.6539 4.2214 4.2222 4.8360 4.8361 5.1008 5.1008 12.4092 12.4101 12.5003 12.5021 12.7031 12.7049 12.8364 12.8373 13.8960 13.8964 k = 0.0000 0.5587 0.0980 ( 4322 PWs) bands (ev): -13.7537 -13.7537 -13.4654 -13.4654 -10.6076 -10.6075 -10.2989 -10.2987 -8.5628 -8.5619 -8.5533 -8.5530 -3.3181 -3.3172 -2.8450 -2.8443 -1.5827 -1.5824 -1.2683 -1.2665 -0.4378 -0.4366 0.0856 0.0859 0.7549 0.7550 0.9279 0.9289 1.6106 1.6111 1.7605 1.7609 2.2997 2.2999 2.6142 2.6144 3.1947 3.1951 3.2528 3.2542 3.6488 3.6498 4.2268 4.2277 4.8340 4.8342 5.0976 5.0976 12.3798 12.3805 12.4655 12.4673 12.6889 12.6907 12.8589 12.8597 13.9156 13.9164 k = 0.0000 0.5587 0.1143 ( 4316 PWs) bands (ev): -13.7510 -13.7509 -13.4670 -13.4669 -10.5966 -10.5965 -10.2901 -10.2898 -8.5832 -8.5821 -8.5752 -8.5749 -3.3108 -3.3098 -2.8397 -2.8389 -1.5734 -1.5730 -1.2401 -1.2380 -0.4145 -0.4131 0.0861 0.0865 0.7299 0.7301 0.9031 0.9042 1.6037 1.6043 1.7689 1.7692 2.2826 2.2829 2.6217 2.6219 3.2062 3.2068 3.2650 3.2665 3.6437 3.6448 4.2329 4.2340 4.8316 4.8318 5.0938 5.0939 12.3492 12.3498 12.4275 12.4291 12.6740 12.6756 12.8827 12.8833 13.9311 13.9324 k = 0.0000 0.5587 0.1306 ( 4310 PWs) bands (ev): -13.7479 -13.7478 -13.4688 -13.4687 -10.5840 -10.5839 -10.2800 -10.2797 -8.6069 -8.6058 -8.5995 -8.5992 -3.3024 -3.3013 -2.8340 -2.8331 -1.5629 -1.5624 -1.2084 -1.2060 -0.3877 -0.3862 0.0862 0.0868 0.7031 0.7034 0.8760 0.8774 1.5957 1.5963 1.7765 1.7768 2.2652 2.2655 2.6297 2.6299 3.2179 3.2185 3.2786 3.2803 3.6378 3.6391 4.2397 4.2409 4.8288 4.8290 5.0894 5.0895 12.3184 12.3188 12.3875 12.3888 12.6586 12.6600 12.9073 12.9077 13.9408 13.9425 k = 0.0000 0.5587 0.1470 ( 4312 PWs) bands (ev): -13.7443 -13.7443 -13.4708 -13.4707 -10.5697 -10.5696 -10.2686 -10.2681 -8.6342 -8.6331 -8.6255 -8.6254 -3.2930 -3.2917 -2.8279 -2.8270 -1.5512 -1.5506 -1.1735 -1.1708 -0.3576 -0.3559 0.0859 0.0865 0.6752 0.6755 0.8473 0.8489 1.5866 1.5873 1.7828 1.7830 2.2481 2.2484 2.6379 2.6380 3.2291 3.2298 3.2933 3.2951 3.6312 3.6327 4.2471 4.2485 4.8254 4.8256 5.0843 5.0845 12.2883 12.2885 12.3468 12.3478 12.6430 12.6442 12.9324 12.9325 13.9439 13.9460 k = 0.0000 0.5587 0.1633 ( 4310 PWs) bands (ev): -13.7404 -13.7404 -13.4731 -13.4730 -10.5538 -10.5537 -10.2558 -10.2553 -8.6647 -8.6639 -8.6534 -8.6532 -3.2825 -3.2812 -2.8216 -2.8207 -1.5384 -1.5377 -1.1359 -1.1329 -0.3241 -0.3223 0.0847 0.0855 0.6470 0.6475 0.8174 0.8192 1.5764 1.5771 1.7871 1.7873 2.2320 2.2324 2.6460 2.6461 3.2396 3.2404 3.3089 3.3108 3.6241 3.6257 4.2549 4.2564 4.8216 4.8218 5.0787 5.0788 12.2594 12.2595 12.3065 12.3072 12.6274 12.6284 12.9574 12.9576 13.9414 13.9438 k = 0.0000 0.5587 0.1796 ( 4312 PWs) bands (ev): -13.7362 -13.7361 -13.4756 -13.4755 -10.5362 -10.5361 -10.2416 -10.2412 -8.6982 -8.6975 -8.6834 -8.6829 -3.2711 -3.2697 -2.8153 -2.8144 -1.5245 -1.5238 -1.0960 -1.0927 -0.2875 -0.2855 0.0824 0.0834 0.6196 0.6201 0.7867 0.7887 1.5651 1.5659 1.7890 1.7891 2.2176 2.2181 2.6539 2.6540 3.2491 3.2500 3.3248 3.3268 3.6167 3.6184 4.2629 4.2645 4.8172 4.8175 5.0723 5.0725 12.2326 12.2327 12.2677 12.2679 12.6121 12.6129 12.9819 12.9825 13.9346 13.9371 k = 0.0000 0.5587 0.1960 ( 4310 PWs) bands (ev): -13.7316 -13.7315 -13.4783 -13.4783 -10.5171 -10.5170 -10.2262 -10.2257 -8.7342 -8.7336 -8.7151 -8.7145 -3.2588 -3.2572 -2.8091 -2.8082 -1.5096 -1.5088 -1.0544 -1.0509 -0.2481 -0.2459 0.0786 0.0798 0.5938 0.5945 0.7555 0.7577 1.5530 1.5538 1.7878 1.7879 2.2055 2.2061 2.6613 2.6614 3.2572 3.2582 3.3404 3.3425 3.6094 3.6113 4.2709 4.2727 4.8124 4.8127 5.0654 5.0656 12.2083 12.2085 12.2309 12.2313 12.5974 12.5980 13.0057 13.0066 13.9252 13.9278 k = 0.0000 0.5587 0.2123 ( 4316 PWs) bands (ev): -13.7266 -13.7266 -13.4814 -13.4813 -10.4963 -10.4962 -10.2095 -10.2089 -8.7725 -8.7719 -8.7487 -8.7480 -3.2455 -3.2439 -2.8031 -2.8023 -1.4937 -1.4928 -1.0117 -1.0079 -0.2059 -0.2036 0.0728 0.0742 0.5707 0.5717 0.7244 0.7268 1.5400 1.5408 1.7832 1.7833 2.1960 2.1968 2.6681 2.6681 3.2638 3.2648 3.3550 3.3570 3.6031 3.6050 4.2786 4.2805 4.8072 4.8075 5.0577 5.0580 12.1864 12.1875 12.1972 12.1990 12.5835 12.5840 13.0280 13.0294 13.9146 13.9173 k = 0.0000 0.5587 0.2286 ( 4318 PWs) bands (ev): -13.7214 -13.7213 -13.4846 -13.4845 -10.4739 -10.4738 -10.1915 -10.1909 -8.8128 -8.8123 -8.7839 -8.7831 -3.2315 -3.2297 -2.7975 -2.7968 -1.4768 -1.4758 -0.9686 -0.9646 -0.1615 -0.1590 0.0648 0.0665 0.5515 0.5526 0.6936 0.6963 1.5262 1.5270 1.7750 1.7752 2.1896 2.1904 2.6740 2.6741 3.2687 3.2698 3.3672 3.3692 3.5987 3.6007 4.2858 4.2878 4.8017 4.8019 5.0495 5.0498 12.1633 12.1655 12.1721 12.1754 12.5708 12.5711 13.0485 13.0502 13.9039 13.9066 k = 0.0000 0.5587 0.2450 ( 4322 PWs) bands (ev): -13.7159 -13.7158 -13.4881 -13.4880 -10.4500 -10.4498 -10.1722 -10.1715 -8.8550 -8.8545 -8.8207 -8.8198 -3.2166 -3.2148 -2.7924 -2.7918 -1.4589 -1.4578 -0.9258 -0.9216 -0.1152 -0.1126 0.0543 0.0562 0.5370 0.5383 0.6636 0.6667 1.5117 1.5125 1.7633 1.7636 2.1863 2.1871 2.6790 2.6791 3.2719 3.2730 3.3758 3.3776 3.5976 3.5995 4.2922 4.2943 4.7959 4.7962 5.0406 5.0409 12.1393 12.1402 12.1591 12.1615 12.5594 12.5596 13.0665 13.0686 13.8938 13.8965 k = 0.0000 0.5587 0.2613 ( 4314 PWs) bands (ev): -13.7101 -13.7099 -13.4919 -13.4918 -10.4245 -10.4243 -10.1517 -10.1510 -8.8987 -8.8982 -8.8587 -8.8578 -3.2009 -3.1991 -2.7881 -2.7875 -1.4401 -1.4389 -0.8842 -0.8799 -0.0677 -0.0649 0.0414 0.0436 0.5280 0.5294 0.6350 0.6384 1.4966 1.4974 1.7483 1.7487 2.1858 2.1868 2.6828 2.6830 3.2733 3.2744 3.3794 3.3808 3.6011 3.6028 4.2975 4.2996 4.7902 4.7905 5.0311 5.0315 12.1189 12.1193 12.1512 12.1535 12.5496 12.5497 13.0815 13.0839 13.8847 13.8874 k = 0.0000 0.5587 0.2776 ( 4312 PWs) bands (ev): -13.7040 -13.7039 -13.4959 -13.4958 -10.3975 -10.3973 -10.1299 -10.1292 -8.9438 -8.9434 -8.8980 -8.8970 -3.1846 -3.1827 -2.7845 -2.7841 -1.4202 -1.4189 -0.8448 -0.8403 -0.0197 -0.0168 0.0267 0.0290 0.5249 0.5265 0.6084 0.6120 1.4809 1.4817 1.7303 1.7308 2.1881 2.1891 2.6853 2.6856 3.2729 3.2739 3.3771 3.3781 3.6099 3.6114 4.3012 4.3034 4.7846 4.7849 5.0210 5.0214 12.1035 12.1037 12.1486 12.1508 12.5416 12.5416 13.0927 13.0956 13.8767 13.8794 k = 0.0000 0.5587 0.2940 ( 4306 PWs) bands (ev): -13.6977 -13.6976 -13.5001 -13.5000 -10.3690 -10.3688 -10.1070 -10.1062 -8.9902 -8.9897 -8.9383 -8.9372 -3.1677 -3.1657 -2.7819 -2.7816 -1.3994 -1.3979 -0.8086 -0.8040 0.0100 0.0124 0.0287 0.0315 0.5279 0.5296 0.5845 0.5885 1.4648 1.4656 1.7097 1.7102 2.1927 2.1938 2.6865 2.6869 3.2707 3.2718 3.3691 3.3697 3.6240 3.6252 4.3031 4.3053 4.7795 4.7797 5.0103 5.0108 12.0937 12.0937 12.1512 12.1535 12.5355 12.5355 13.0998 13.1031 13.8697 13.8724 k = 0.0000 0.5587 0.3103 ( 4310 PWs) bands (ev): -13.6912 -13.6910 -13.5046 -13.5045 -10.3390 -10.3388 -10.0829 -10.0821 -9.0375 -9.0370 -8.9794 -8.9782 -3.1502 -3.1482 -2.7803 -2.7801 -1.3774 -1.3758 -0.7768 -0.7721 -0.0060 -0.0032 0.0739 0.0771 0.5367 0.5385 0.5647 0.5690 1.4482 1.4490 1.6868 1.6874 2.1995 2.2005 2.6861 2.6865 3.2669 3.2679 3.3562 3.3563 3.6427 3.6436 4.3028 4.3050 4.7750 4.7751 4.9992 4.9997 12.0896 12.0898 12.1593 12.1617 12.5314 12.5315 13.1024 13.1060 13.8632 13.8646 k = 0.0000 0.5587 0.3266 ( 4308 PWs) bands (ev): -13.6845 -13.6843 -13.5093 -13.5092 -10.3076 -10.3075 -10.0578 -10.0569 -9.0855 -9.0851 -9.0212 -9.0200 -3.1321 -3.1301 -2.7798 -2.7798 -1.3544 -1.3527 -0.7504 -0.7458 -0.0210 -0.0181 0.1158 0.1191 0.5491 0.5499 0.5543 0.5564 1.4313 1.4320 1.6621 1.6627 2.2081 2.2091 2.6840 2.6845 3.2616 3.2625 3.3393 3.3395 3.6648 3.6655 4.3001 4.3023 4.7713 4.7715 4.9876 4.9881 12.0916 12.0919 12.1729 12.1754 12.5294 12.5295 13.1002 13.1042 13.8133 13.8160 k = 0.0000 0.5587 0.3430 ( 4314 PWs) bands (ev): -13.6776 -13.6775 -13.5143 -13.5142 -10.2749 -10.2747 -10.0316 -10.0307 -9.1341 -9.1337 -9.0634 -9.0622 -3.1137 -3.1117 -2.7807 -2.7806 -1.3303 -1.3285 -0.7306 -0.7260 -0.0338 -0.0306 0.1516 0.1548 0.5434 0.5478 0.5717 0.5730 1.4140 1.4147 1.6357 1.6363 2.2183 2.2193 2.6800 2.6806 3.2549 3.2557 3.3196 3.3202 3.6896 3.6902 4.2948 4.2969 4.7688 4.7689 4.9756 4.9762 12.0999 12.1002 12.1920 12.1945 12.5297 12.5297 13.0932 13.0976 13.7493 13.7520 k = 0.0000 0.5587 0.3593 ( 4318 PWs) bands (ev): -13.6705 -13.6704 -13.5195 -13.5194 -10.2409 -10.2406 -10.0044 -10.0035 -9.1830 -9.1826 -9.1061 -9.1048 -3.0949 -3.0929 -2.7829 -2.7826 -1.3050 -1.3031 -0.7182 -0.7137 -0.0430 -0.0397 0.1787 0.1816 0.5467 0.5511 0.5959 0.5973 1.3965 1.3972 1.6079 1.6085 2.2301 2.2311 2.6740 2.6747 3.2470 3.2477 3.2985 3.2994 3.7164 3.7168 4.2867 4.2888 4.7675 4.7675 4.9634 4.9640 12.1145 12.1148 12.2163 12.2190 12.5320 12.5320 13.0815 13.0863 13.6802 13.6830 k = 0.0000 0.5587 0.3756 ( 4322 PWs) bands (ev): -13.6634 -13.6633 -13.5249 -13.5248 -10.2056 -10.2053 -9.9765 -9.9755 -9.2319 -9.2315 -9.1489 -9.1476 -3.0759 -3.0738 -2.7864 -2.7859 -1.2785 -1.2765 -0.7136 -0.7093 -0.0480 -0.0446 0.1954 0.1977 0.5612 0.5653 0.6243 0.6255 1.3787 1.3794 1.5789 1.5795 2.2434 2.2444 2.6657 2.6665 3.2382 3.2387 3.2767 3.2779 3.7445 3.7448 4.2758 4.2778 4.7675 4.7676 4.9510 4.9516 12.1354 12.1356 12.2457 12.2485 12.5364 12.5365 13.0653 13.0705 13.6077 13.6106 k = 0.0000 0.5587 0.3919 ( 4322 PWs) bands (ev): -13.6561 -13.6560 -13.5305 -13.5304 -10.1691 -10.1688 -9.9479 -9.9469 -9.2807 -9.2802 -9.1917 -9.1904 -3.0567 -3.0546 -2.7912 -2.7906 -1.2509 -1.2488 -0.7169 -0.7127 -0.0485 -0.0450 0.2017 0.2032 0.5864 0.5899 0.6560 0.6570 1.3609 1.3615 1.5488 1.5494 2.2582 2.2591 2.6550 2.6559 3.2286 3.2290 3.2552 3.2566 3.7737 3.7740 4.2622 4.2640 4.7689 4.7691 4.9384 4.9391 12.1624 12.1626 12.2796 12.2826 12.5427 12.5430 13.0448 13.0503 13.5336 13.5366 k = 0.0000 0.5587 0.4083 ( 4324 PWs) bands (ev): -13.6488 -13.6486 -13.5364 -13.5363 -10.1315 -10.1312 -9.9189 -9.9179 -9.3288 -9.3283 -9.2343 -9.2331 -3.0374 -3.0353 -2.7974 -2.7966 -1.2221 -1.2199 -0.7274 -0.7234 -0.0447 -0.0411 0.1993 0.2001 0.6196 0.6226 0.6901 0.6909 1.3431 1.3437 1.5178 1.5184 2.2744 2.2753 2.6418 2.6427 3.2185 3.2187 3.2346 3.2362 3.8036 3.8039 4.2459 4.2476 4.7716 4.7719 4.9257 4.9264 12.1954 12.1954 12.3176 12.3207 12.5507 12.5512 13.0201 13.0260 13.4599 13.4629 k = 0.0000 0.5587 0.4246 ( 4324 PWs) bands (ev): -13.6414 -13.6412 -13.5425 -13.5423 -10.0930 -10.0927 -9.8899 -9.8889 -9.3758 -9.3753 -9.2766 -9.2753 -3.0181 -3.0161 -2.8049 -2.8040 -1.1922 -1.1899 -0.7444 -0.7406 -0.0371 -0.0334 0.1908 0.1908 0.6579 0.6605 0.7257 0.7262 1.3256 1.3262 1.4860 1.4865 2.2922 2.2931 2.6259 2.6269 3.2082 3.2082 3.2158 3.2176 3.8340 3.8343 4.2271 4.2287 4.7757 4.7760 4.9131 4.9138 12.2339 12.2341 12.3587 12.3620 12.5602 12.5609 12.9912 12.9972 13.3889 13.3919 k = 0.0000 0.5587 0.4409 ( 4324 PWs) bands (ev): -13.6339 -13.6338 -13.5487 -13.5486 -10.0537 -10.0534 -9.8616 -9.8606 -9.4209 -9.4205 -9.3183 -9.3170 -2.9989 -2.9969 -2.8138 -2.8127 -1.1612 -1.1588 -0.7666 -0.7630 -0.0264 -0.0227 0.1775 0.1781 0.6985 0.7006 0.7615 0.7618 1.3089 1.3094 1.4536 1.4542 2.3116 2.3125 2.6075 2.6084 3.1974 3.1975 3.1996 3.2015 3.8648 3.8651 4.2062 4.2077 4.7809 4.7813 4.9006 4.9013 12.2778 12.2781 12.4019 12.4053 12.5708 12.5718 12.9575 12.9636 13.3235 13.3263 k = 0.0000 0.5587 0.4573 ( 4322 PWs) bands (ev): -13.6265 -13.6263 -13.5551 -13.5550 -10.0137 -10.0134 -9.8351 -9.8341 -9.4630 -9.4625 -9.3591 -9.3578 -2.9800 -2.9779 -2.8239 -2.8228 -1.1292 -1.1267 -0.7931 -0.7896 -0.0133 -0.0097 0.1617 0.1628 0.7390 0.7408 0.7961 0.7961 1.2936 1.2941 1.4211 1.4216 2.3326 2.3334 2.5865 2.5875 3.1845 3.1858 3.1886 3.1896 3.8957 3.8960 4.1833 4.1846 4.7872 4.7877 4.8882 4.8890 12.3265 12.3272 12.4455 12.4491 12.5819 12.5833 12.9183 12.9242 13.2672 13.2695 k = 0.0000 0.5587 0.4736 ( 4322 PWs) bands (ev): -13.6190 -13.6189 -13.5617 -13.5616 -9.9736 -9.9732 -9.8123 -9.8113 -9.5000 -9.4995 -9.3987 -9.3975 -2.9613 -2.9593 -2.8353 -2.8340 -1.0962 -1.0936 -0.8228 -0.8194 0.0016 0.0051 0.1444 0.1460 0.7776 0.7792 0.8274 0.8276 1.2807 1.2813 1.3889 1.3894 2.3551 2.3559 2.5634 2.5643 3.1734 3.1749 3.1794 3.1803 3.9266 3.9270 4.1587 4.1599 4.7944 4.7950 4.8761 4.8768 12.3795 12.3805 12.4877 12.4914 12.5929 12.5948 12.8728 12.8781 13.2237 13.2252 k = 0.0000 0.5587 0.4899 ( 4328 PWs) bands (ev): -13.6116 -13.6114 -13.5685 -13.5684 -9.9336 -9.9333 -9.7966 -9.7957 -9.5285 -9.5279 -9.4366 -9.4353 -2.9430 -2.9411 -2.8479 -2.8465 -1.0624 -1.0597 -0.8548 -0.8515 0.0178 0.0212 0.1264 0.1283 0.8125 0.8139 0.8533 0.8538 1.2718 1.2724 1.3578 1.3584 2.3792 2.3799 2.5384 2.5394 3.1651 3.1668 3.1715 3.1725 3.9575 3.9579 4.1327 4.1337 4.8025 4.8031 4.8642 4.8650 12.4360 12.4374 12.5257 12.5294 12.6030 12.6055 12.8208 12.8252 13.1964 13.1969 k = 0.0000 0.5587 0.5063 ( 4334 PWs) bands (ev): -13.6042 -13.6040 -13.5754 -13.5753 -9.8947 -9.8943 -9.7924 -9.7917 -9.5440 -9.5432 -9.4719 -9.4707 -2.9253 -2.9234 -2.8615 -2.8600 -1.0280 -1.0252 -0.8884 -0.8852 0.0349 0.0381 0.1079 0.1102 0.8420 0.8433 0.8716 0.8723 1.2686 1.2692 1.3290 1.3296 2.4045 2.4053 2.5122 2.5131 3.1599 3.1615 3.1650 3.1661 3.9881 3.9886 4.1054 4.1064 4.8114 4.8120 4.8527 4.8535 12.4942 12.4963 12.5567 12.5602 12.6115 12.6147 12.7638 12.7669 13.1868 13.1873 k = 0.0000 0.5587 0.5226 ( 4332 PWs) bands (ev): -13.5969 -13.5967 -13.5824 -13.5823 -9.8581 -9.8577 -9.8029 -9.8022 -9.5434 -9.5425 -9.5032 -9.5021 -2.9082 -2.9064 -2.8762 -2.8746 -0.9931 -0.9902 -0.9229 -0.9198 0.0526 0.0557 0.0893 0.0919 0.8643 0.8654 0.8800 0.8809 1.2727 1.2733 1.3040 1.3047 2.4308 2.4316 2.4851 2.4860 3.1574 3.1590 3.1603 3.1616 4.0183 4.0190 4.0772 4.0780 4.8209 4.8216 4.8416 4.8424 12.5494 12.5519 12.5776 12.5803 12.6210 12.6246 12.7047 12.7063 13.1959 13.1971 k = 0.0000 0.5587 0.5389 ( 4336 PWs) bands (ev): -13.5896 -13.5896 -13.5895 -13.5895 -9.8262 -9.8262 -9.8257 -9.8257 -9.5284 -9.5284 -9.5273 -9.5273 -2.8918 -2.8918 -2.8900 -2.8900 -0.9579 -0.9579 -0.9550 -0.9550 0.0708 0.0708 0.0737 0.0737 0.8774 0.8774 0.8785 0.8785 1.2847 1.2847 1.2854 1.2854 2.4579 2.4579 2.4587 2.4587 3.1577 3.1577 3.1591 3.1591 4.0481 4.0481 4.0488 4.0488 4.8310 4.8310 4.8317 4.8317 12.5822 12.5822 12.5823 12.5823 12.6506 12.6506 12.6517 12.6517 13.2232 13.2234 k = 0.0000 0.5587 0.5389 ( 4336 PWs) bands (ev): -13.5896 -13.5896 -13.5895 -13.5895 -9.8262 -9.8262 -9.8257 -9.8257 -9.5284 -9.5284 -9.5273 -9.5273 -2.8918 -2.8918 -2.8900 -2.8900 -0.9579 -0.9579 -0.9550 -0.9550 0.0708 0.0708 0.0737 0.0737 0.8774 0.8774 0.8785 0.8785 1.2847 1.2847 1.2854 1.2854 2.4579 2.4579 2.4587 2.4587 3.1577 3.1577 3.1591 3.1591 4.0481 4.0481 4.0488 4.0488 4.8310 4.8310 4.8317 4.8317 12.5822 12.5822 12.5823 12.5823 12.6506 12.6506 12.6517 12.6517 13.2231 13.2232 k = 0.0165 0.5587 0.5389 ( 4332 PWs) bands (ev): -13.5895 -13.5895 -13.5893 -13.5893 -9.8287 -9.8287 -9.8281 -9.8281 -9.5262 -9.5262 -9.5251 -9.5251 -2.8901 -2.8901 -2.8883 -2.8883 -0.9621 -0.9621 -0.9591 -0.9591 0.0736 0.0736 0.0764 0.0764 0.8757 0.8757 0.8774 0.8774 1.2862 1.2862 1.2880 1.2880 2.4566 2.4566 2.4577 2.4577 3.1586 3.1586 3.1601 3.1601 4.0487 4.0487 4.0495 4.0495 4.8292 4.8292 4.8300 4.8300 12.5795 12.5795 12.5811 12.5811 12.6524 12.6524 12.6544 12.6544 13.2228 13.2228 k = 0.0329 0.5587 0.5389 ( 4330 PWs) bands (ev): -13.5891 -13.5891 -13.5889 -13.5889 -9.8359 -9.8359 -9.8351 -9.8351 -9.5198 -9.5198 -9.5186 -9.5186 -2.8850 -2.8850 -2.8833 -2.8833 -0.9743 -0.9743 -0.9714 -0.9714 0.0816 0.0816 0.0845 0.0845 0.8712 0.8712 0.8739 0.8739 1.2916 1.2916 1.2949 1.2949 2.4529 2.4529 2.4545 2.4545 3.1613 3.1613 3.1631 3.1631 4.0507 4.0507 4.0515 4.0515 4.8239 4.8239 4.8248 4.8248 12.5736 12.5736 12.5764 12.5764 12.6579 12.6579 12.6610 12.6610 13.2219 13.2219 k = 0.0494 0.5587 0.5389 ( 4326 PWs) bands (ev): -13.5884 -13.5884 -13.5883 -13.5883 -9.8471 -9.8471 -9.8462 -9.8462 -9.5098 -9.5098 -9.5085 -9.5085 -2.8766 -2.8766 -2.8748 -2.8748 -0.9943 -0.9943 -0.9915 -0.9915 0.0944 0.0944 0.0974 0.0974 0.8642 0.8642 0.8679 0.8679 1.3008 1.3008 1.3055 1.3055 2.4470 2.4470 2.4492 2.4492 3.1659 3.1659 3.1680 3.1680 4.0541 4.0541 4.0550 4.0550 4.8151 4.8151 4.8162 4.8162 12.5660 12.5660 12.5695 12.5695 12.6661 12.6661 12.6700 12.6700 13.2204 13.2204 k = 0.0659 0.5587 0.5389 ( 4328 PWs) bands (ev): -13.5876 -13.5876 -13.5874 -13.5874 -9.8617 -9.8617 -9.8606 -9.8606 -9.4969 -9.4969 -9.4954 -9.4954 -2.8648 -2.8648 -2.8630 -2.8630 -1.0213 -1.0213 -1.0186 -1.0186 0.1115 0.1115 0.1146 0.1146 0.8553 0.8553 0.8599 0.8599 1.3134 1.3134 1.3194 1.3194 2.4391 2.4391 2.4419 2.4419 3.1719 3.1719 3.1744 3.1744 4.0588 4.0588 4.0598 4.0598 4.8030 4.8030 4.8042 4.8042 12.5574 12.5574 12.5614 12.5614 12.6757 12.6757 12.6803 12.6803 13.2183 13.2183 k = 0.0823 0.5587 0.5389 ( 4320 PWs) bands (ev): -13.5864 -13.5864 -13.5863 -13.5863 -9.8789 -9.8789 -9.8776 -9.8776 -9.4817 -9.4817 -9.4802 -9.4802 -2.8498 -2.8498 -2.8480 -2.8480 -1.0547 -1.0547 -1.0521 -1.0521 0.1322 0.1322 0.1354 0.1354 0.8450 0.8450 0.8502 0.8502 1.3290 1.3290 1.3361 1.3361 2.4295 2.4295 2.4328 2.4328 3.1794 3.1794 3.1821 3.1821 4.0649 4.0649 4.0660 4.0660 4.7877 4.7877 4.7892 4.7892 12.5484 12.5484 12.5526 12.5526 12.6861 12.6861 12.6912 12.6912 13.2158 13.2158 k = 0.0988 0.5587 0.5389 ( 4316 PWs) bands (ev): -13.5851 -13.5851 -13.5850 -13.5850 -9.8979 -9.8979 -9.8966 -9.8966 -9.4650 -9.4650 -9.4634 -9.4634 -2.8317 -2.8317 -2.8298 -2.8298 -1.0937 -1.0937 -1.0912 -1.0912 0.1557 0.1557 0.1590 0.1590 0.8335 0.8335 0.8393 0.8393 1.3471 1.3471 1.3551 1.3551 2.4183 2.4183 2.4222 2.4222 3.1878 3.1878 3.1908 3.1908 4.0724 4.0724 4.0736 4.0736 4.7695 4.7695 4.7711 4.7711 12.5393 12.5393 12.5436 12.5436 12.6968 12.6968 12.7025 12.7025 13.2128 13.2128 k = 0.1152 0.5587 0.5389 ( 4314 PWs) bands (ev): -13.5836 -13.5836 -13.5834 -13.5834 -9.9184 -9.9184 -9.9170 -9.9170 -9.4471 -9.4471 -9.4454 -9.4454 -2.8104 -2.8104 -2.8085 -2.8085 -1.1375 -1.1375 -1.1351 -1.1351 0.1812 0.1812 0.1847 0.1847 0.8214 0.8214 0.8276 0.8276 1.3673 1.3673 1.3761 1.3761 2.4059 2.4059 2.4102 2.4102 3.1970 3.1970 3.2002 3.2002 4.0813 4.0813 4.0827 4.0827 4.7485 4.7485 4.7504 4.7504 12.5299 12.5299 12.5343 12.5343 12.7074 12.7074 12.7138 12.7138 13.2096 13.2096 k = 0.1317 0.5587 0.5389 ( 4314 PWs) bands (ev): -13.5818 -13.5818 -13.5817 -13.5817 -9.9398 -9.9398 -9.9384 -9.9384 -9.4284 -9.4284 -9.4268 -9.4268 -2.7862 -2.7862 -2.7843 -2.7843 -1.1854 -1.1854 -1.1831 -1.1831 0.2082 0.2082 0.2118 0.2118 0.8089 0.8089 0.8154 0.8154 1.3891 1.3891 1.3985 1.3985 2.3925 2.3925 2.3971 2.3971 3.2066 3.2066 3.2099 3.2099 4.0916 4.0916 4.0931 4.0931 4.7252 4.7252 4.7272 4.7272 12.5204 12.5204 12.5249 12.5249 12.7178 12.7178 12.7249 12.7249 13.2062 13.2062 k = 0.1482 0.5587 0.5389 ( 4316 PWs) bands (ev): -13.5800 -13.5800 -13.5798 -13.5798 -9.9619 -9.9619 -9.9604 -9.9604 -9.4093 -9.4093 -9.4076 -9.4076 -2.7592 -2.7592 -2.7572 -2.7572 -1.2369 -1.2369 -1.2347 -1.2347 0.2360 0.2360 0.2399 0.2399 0.7964 0.7964 0.8030 0.8030 1.4122 1.4122 1.4221 1.4221 2.3783 2.3783 2.3832 2.3832 3.2163 3.2163 3.2197 3.2197 4.1034 4.1034 4.1050 4.1050 4.6997 4.6997 4.7020 4.7020 12.5106 12.5106 12.5151 12.5151 12.7278 12.7278 12.7357 12.7357 13.2028 13.2028 k = 0.1646 0.5587 0.5389 ( 4312 PWs) bands (ev): -13.5779 -13.5779 -13.5778 -13.5778 -9.9843 -9.9843 -9.9828 -9.9828 -9.3899 -9.3899 -9.3882 -9.3882 -2.7295 -2.7295 -2.7275 -2.7275 -1.2914 -1.2914 -1.2892 -1.2892 0.2643 0.2643 0.2682 0.2682 0.7840 0.7840 0.7908 0.7908 1.4362 1.4362 1.4466 1.4466 2.3636 2.3636 2.3688 2.3688 3.2258 3.2258 3.2292 3.2292 4.1164 4.1164 4.1181 4.1181 4.6726 4.6726 4.6750 4.6750 12.5004 12.5004 12.5048 12.5048 12.7374 12.7374 12.7460 12.7460 13.1994 13.1994 k = 0.1811 0.5587 0.5389 ( 4308 PWs) bands (ev): -13.5758 -13.5758 -13.5757 -13.5757 -10.0068 -10.0068 -10.0053 -10.0053 -9.3704 -9.3704 -9.3686 -9.3686 -2.6973 -2.6973 -2.6952 -2.6952 -1.3483 -1.3483 -1.3462 -1.3462 0.2925 0.2925 0.2966 0.2966 0.7720 0.7720 0.7788 0.7788 1.4608 1.4608 1.4715 1.4715 2.3487 2.3487 2.3540 2.3540 3.2348 3.2348 3.2382 3.2382 4.1307 4.1307 4.1326 4.1326 4.6442 4.6442 4.6468 4.6468 12.4895 12.4895 12.4939 12.4939 12.7465 12.7465 12.7558 12.7558 13.1964 13.1964 k = 0.1976 0.5587 0.5389 ( 4318 PWs) bands (ev): -13.5736 -13.5736 -13.5735 -13.5735 -10.0293 -10.0293 -10.0278 -10.0278 -9.3508 -9.3508 -9.3491 -9.3491 -2.6627 -2.6627 -2.6607 -2.6607 -1.4074 -1.4074 -1.4053 -1.4053 0.3204 0.3204 0.3246 0.3246 0.7605 0.7605 0.7673 0.7673 1.4857 1.4857 1.4967 1.4967 2.3337 2.3337 2.3393 2.3393 3.2431 3.2431 3.2464 3.2464 4.1461 4.1461 4.1480 4.1480 4.6151 4.6151 4.6177 4.6177 12.4778 12.4778 12.4822 12.4822 12.7549 12.7549 12.7649 12.7649 13.1939 13.1939 k = 0.2140 0.5587 0.5389 ( 4320 PWs) bands (ev): -13.5713 -13.5713 -13.5712 -13.5712 -10.0516 -10.0516 -10.0501 -10.0501 -9.3314 -9.3314 -9.3296 -9.3296 -2.6262 -2.6262 -2.6241 -2.6241 -1.4680 -1.4680 -1.4661 -1.4661 0.3476 0.3476 0.3520 0.3520 0.7497 0.7497 0.7565 0.7565 1.5105 1.5105 1.5217 1.5217 2.3191 2.3191 2.3247 2.3247 3.2505 3.2505 3.2537 3.2537 4.1623 4.1623 4.1643 4.1643 4.5858 4.5858 4.5885 4.5885 12.4651 12.4651 12.4695 12.4695 12.7625 12.7625 12.7732 12.7732 13.1922 13.1922 k = 0.2305 0.5587 0.5389 ( 4318 PWs) bands (ev): -13.5690 -13.5690 -13.5689 -13.5689 -10.0734 -10.0734 -10.0720 -10.0720 -9.3121 -9.3121 -9.3103 -9.3103 -2.5878 -2.5878 -2.5857 -2.5857 -1.5300 -1.5300 -1.5281 -1.5281 0.3740 0.3740 0.3785 0.3785 0.7398 0.7398 0.7464 0.7464 1.5349 1.5349 1.5463 1.5463 2.3050 2.3050 2.3108 2.3108 3.2568 3.2568 3.2599 3.2599 4.1788 4.1788 4.1810 4.1810 4.5570 4.5570 4.5598 4.5598 12.4512 12.4512 12.4556 12.4556 12.7694 12.7694 12.7805 12.7805 13.1915 13.1915 k = 0.2469 0.5587 0.5389 ( 4310 PWs) bands (ev): -13.5668 -13.5668 -13.5667 -13.5667 -10.0948 -10.0948 -10.0934 -10.0934 -9.2929 -9.2929 -9.2912 -9.2912 -2.5480 -2.5480 -2.5460 -2.5460 -1.5928 -1.5928 -1.5909 -1.5909 0.3992 0.3992 0.4038 0.4038 0.7308 0.7308 0.7373 0.7373 1.5586 1.5586 1.5701 1.5701 2.2919 2.2919 2.2976 2.2976 3.2621 3.2621 3.2649 3.2649 4.1950 4.1950 4.1973 4.1973 4.5299 4.5299 4.5326 4.5326 12.4361 12.4361 12.4404 12.4404 12.7752 12.7752 12.7867 12.7867 13.1921 13.1921 k = 0.2634 0.5587 0.5389 ( 4316 PWs) bands (ev): -13.5646 -13.5646 -13.5645 -13.5645 -10.1155 -10.1155 -10.1141 -10.1141 -9.2740 -9.2740 -9.2723 -9.2723 -2.5072 -2.5072 -2.5052 -2.5052 -1.6559 -1.6559 -1.6541 -1.6541 0.4231 0.4231 0.4278 0.4278 0.7230 0.7230 0.7293 0.7293 1.5809 1.5809 1.5925 1.5925 2.2800 2.2800 2.2857 2.2857 3.2660 3.2660 3.2687 3.2687 4.2099 4.2099 4.2123 4.2123 4.5055 4.5055 4.5082 4.5082 12.4196 12.4196 12.4239 12.4239 12.7798 12.7798 12.7916 12.7916 13.1942 13.1942 k = 0.2799 0.5587 0.5389 ( 4314 PWs) bands (ev): -13.5624 -13.5624 -13.5623 -13.5623 -10.1355 -10.1355 -10.1341 -10.1341 -9.2553 -9.2553 -9.2537 -9.2537 -2.4660 -2.4660 -2.4642 -2.4642 -1.7187 -1.7187 -1.7170 -1.7170 0.4454 0.4454 0.4502 0.4502 0.7164 0.7164 0.7226 0.7226 1.6015 1.6015 1.6131 1.6131 2.2699 2.2699 2.2756 2.2756 3.2688 3.2688 3.2713 3.2713 4.2219 4.2219 4.2244 4.2244 4.4858 4.4858 4.4882 4.4882 12.4016 12.4016 12.4058 12.4058 12.7830 12.7830 12.7950 12.7950 13.1982 13.1982 k = 0.2963 0.5587 0.5389 ( 4322 PWs) bands (ev): -13.5604 -13.5604 -13.5603 -13.5603 -10.1547 -10.1547 -10.1533 -10.1533 -9.2369 -9.2369 -9.2353 -9.2353 -2.4254 -2.4254 -2.4237 -2.4237 -1.7804 -1.7804 -1.7788 -1.7788 0.4659 0.4659 0.4707 0.4707 0.7115 0.7115 0.7175 0.7175 1.6197 1.6197 1.6314 1.6314 2.2620 2.2620 2.2676 2.2676 3.2703 3.2703 3.2727 3.2727 4.2291 4.2291 4.2317 4.2317 4.4729 4.4729 4.4749 4.4749 12.3821 12.3821 12.3863 12.3863 12.7846 12.7846 12.7967 12.7967 13.2042 13.2042 k = 0.3128 0.5587 0.5389 ( 4320 PWs) bands (ev): -13.5585 -13.5585 -13.5585 -13.5585 -10.1729 -10.1729 -10.1715 -10.1715 -9.2188 -9.2188 -9.2172 -9.2172 -2.3867 -2.3867 -2.3854 -2.3854 -1.8393 -1.8393 -1.8381 -1.8381 0.4842 0.4842 0.4890 0.4890 0.7084 0.7084 0.7142 0.7142 1.6349 1.6349 1.6466 1.6466 2.2569 2.2569 2.2624 2.2624 3.2707 3.2707 3.2729 3.2729 4.2295 4.2295 4.2322 4.2322 4.4686 4.4686 4.4701 4.4701 12.3610 12.3610 12.3652 12.3652 12.7846 12.7846 12.7966 12.7966 13.2122 13.2122 k = 0.3293 0.5587 0.5389 ( 4316 PWs) bands (ev): -13.5569 -13.5569 -13.5568 -13.5568 -10.1901 -10.1901 -10.1888 -10.1888 -9.2010 -9.2010 -9.1994 -9.1994 -2.3525 -2.3525 -2.3516 -2.3516 -1.8932 -1.8932 -1.8924 -1.8924 0.4999 0.4999 0.5048 0.5048 0.7076 0.7076 0.7132 0.7132 1.6465 1.6465 1.6582 1.6582 2.2552 2.2552 2.2605 2.2605 3.2700 3.2700 3.2721 3.2721 4.2227 4.2227 4.2254 4.2254 4.4737 4.4737 4.4748 4.4748 12.3385 12.3385 12.3426 12.3426 12.7828 12.7828 12.7946 12.7946 13.2223 13.2223 k = 0.3457 0.5587 0.5389 ( 4314 PWs) bands (ev): -13.5554 -13.5554 -13.5553 -13.5553 -10.2062 -10.2062 -10.2049 -10.2049 -9.1835 -9.1835 -9.1819 -9.1819 -2.3271 -2.3271 -2.3267 -2.3267 -1.9377 -1.9377 -1.9375 -1.9375 0.5126 0.5126 0.5175 0.5175 0.7095 0.7095 0.7149 0.7149 1.6539 1.6539 1.6655 1.6655 2.2573 2.2573 2.2625 2.2625 3.2684 3.2684 3.2704 3.2704 4.2095 4.2095 4.2122 4.2122 4.4871 4.4871 4.4880 4.4880 12.3145 12.3145 12.3186 12.3186 12.7793 12.7793 12.7909 12.7909 13.2341 13.2341 k = 0.3457 0.5587 0.5389 ( 4314 PWs) bands (ev): -13.5554 -13.5554 -13.5553 -13.5553 -10.2062 -10.2062 -10.2049 -10.2049 -9.1835 -9.1835 -9.1819 -9.1819 -2.3271 -2.3271 -2.3267 -2.3267 -1.9377 -1.9377 -1.9375 -1.9375 0.5126 0.5126 0.5175 0.5175 0.7095 0.7095 0.7149 0.7149 1.6539 1.6539 1.6655 1.6655 2.2573 2.2573 2.2625 2.2625 3.2684 3.2684 3.2704 3.2704 4.2095 4.2095 4.2122 4.2122 4.4871 4.4871 4.4880 4.4880 12.3145 12.3145 12.3186 12.3186 12.7793 12.7793 12.7909 12.7909 13.2341 13.2341 k = 0.3371 0.5448 0.5389 ( 4314 PWs) bands (ev): -13.5580 -13.5580 -13.5579 -13.5579 -10.1761 -10.1761 -10.1747 -10.1747 -9.2167 -9.2167 -9.2150 -9.2150 -2.3636 -2.3636 -2.3632 -2.3632 -1.8644 -1.8644 -1.8642 -1.8642 0.4904 0.4904 0.4953 0.4953 0.7031 0.7031 0.7088 0.7088 1.6448 1.6448 1.6565 1.6565 2.2496 2.2496 2.2551 2.2551 3.2721 3.2721 3.2743 3.2743 4.2400 4.2400 4.2427 4.2427 4.4554 4.4554 4.4563 4.4563 12.3602 12.3602 12.3644 12.3644 12.7866 12.7866 12.7986 12.7986 13.2117 13.2117 k = 0.3284 0.5308 0.5389 ( 4334 PWs) bands (ev): -13.5607 -13.5607 -13.5607 -13.5607 -10.1445 -10.1445 -10.1431 -10.1431 -9.2503 -9.2503 -9.2487 -9.2487 -2.4020 -2.4020 -2.4016 -2.4016 -1.7894 -1.7894 -1.7893 -1.7893 0.4658 0.4658 0.4706 0.4706 0.6968 0.6968 0.7028 0.7028 1.6369 1.6369 1.6487 1.6487 2.2427 2.2427 2.2484 2.2484 3.2755 3.2755 3.2778 3.2778 4.2718 4.2718 4.2745 4.2745 4.4246 4.4246 4.4254 4.4254 12.4027 12.4027 12.4068 12.4068 12.7913 12.7913 12.8037 12.8037 13.1930 13.1930 k = 0.3198 0.5168 0.5389 ( 4326 PWs) bands (ev): -13.5636 -13.5636 -13.5635 -13.5635 -10.1117 -10.1117 -10.1102 -10.1102 -9.2843 -9.2843 -9.2826 -9.2826 -2.4423 -2.4423 -2.4419 -2.4419 -1.7131 -1.7131 -1.7130 -1.7130 0.4390 0.4390 0.4436 0.4436 0.6905 0.6905 0.6969 0.6969 1.6305 1.6305 1.6423 1.6423 2.2368 2.2368 2.2427 2.2427 3.2785 3.2785 3.2810 3.2810 4.3049 4.3049 4.3075 4.3075 4.3947 4.3947 4.3956 4.3956 12.4402 12.4402 12.4442 12.4442 12.7928 12.7928 12.8056 12.8056 13.1798 13.1798 k = 0.3111 0.5028 0.5389 ( 4318 PWs) bands (ev): -13.5665 -13.5665 -13.5664 -13.5664 -10.0775 -10.0775 -10.0759 -10.0759 -9.3184 -9.3184 -9.3167 -9.3167 -2.4844 -2.4844 -2.4841 -2.4841 -1.6360 -1.6360 -1.6357 -1.6357 0.4099 0.4099 0.4143 0.4143 0.6844 0.6844 0.6911 0.6911 1.6258 1.6258 1.6374 1.6374 2.2318 2.2318 2.2379 2.2379 3.2811 3.2811 3.2839 3.2839 4.3391 4.3391 4.3415 4.3415 4.3662 4.3662 4.3669 4.3669 12.4710 12.4710 12.4747 12.4747 12.7905 12.7905 12.8036 12.8036 13.1737 13.1737 k = 0.3025 0.4889 0.5389 ( 4322 PWs) bands (ev): -13.5696 -13.5696 -13.5695 -13.5695 -10.0420 -10.0420 -10.0404 -10.0404 -9.3526 -9.3526 -9.3509 -9.3509 -2.5283 -2.5283 -2.5280 -2.5280 -1.5581 -1.5581 -1.5577 -1.5577 0.3786 0.3786 0.3828 0.3828 0.6784 0.6784 0.6855 0.6855 1.6227 1.6227 1.6342 1.6342 2.2280 2.2280 2.2343 2.2343 3.2834 3.2834 3.2865 3.2865 4.3383 4.3383 4.3392 4.3392 4.3745 4.3745 4.3771 4.3771 12.4932 12.4932 12.4966 12.4966 12.7838 12.7838 12.7970 12.7970 13.1763 13.1763 k = 0.2939 0.4749 0.5389 ( 4332 PWs) bands (ev): -13.5727 -13.5727 -13.5726 -13.5726 -10.0053 -10.0053 -10.0037 -10.0037 -9.3868 -9.3868 -9.3851 -9.3851 -2.5741 -2.5741 -2.5738 -2.5738 -1.4799 -1.4799 -1.4793 -1.4793 0.3452 0.3452 0.3492 0.3492 0.6727 0.6727 0.6800 0.6800 1.6214 1.6214 1.6326 1.6326 2.2255 2.2255 2.2320 2.2320 3.2853 3.2853 3.2887 3.2887 4.3122 4.3122 4.3130 4.3130 4.4107 4.4107 4.4131 4.4131 12.5058 12.5058 12.5088 12.5088 12.7722 12.7722 12.7855 12.7855 13.1885 13.1885 k = 0.2852 0.4609 0.5389 ( 4326 PWs) bands (ev): -13.5759 -13.5759 -13.5758 -13.5758 -9.9675 -9.9675 -9.9659 -9.9659 -9.4208 -9.4208 -9.4191 -9.4191 -2.6215 -2.6215 -2.6212 -2.6212 -1.4017 -1.4017 -1.4008 -1.4008 0.3099 0.3099 0.3136 0.3136 0.6672 0.6672 0.6749 0.6749 1.6218 1.6218 1.6327 1.6327 2.2244 2.2244 2.2311 2.2311 3.2870 3.2870 3.2907 3.2907 4.2875 4.2875 4.2882 4.2882 4.4477 4.4477 4.4500 4.4500 12.5087 12.5087 12.5112 12.5112 12.7555 12.7555 12.7687 12.7687 13.2102 13.2102 k = 0.2766 0.4470 0.5389 ( 4310 PWs) bands (ev): -13.5792 -13.5792 -13.5791 -13.5791 -9.9286 -9.9286 -9.9269 -9.9269 -9.4545 -9.4545 -9.4528 -9.4528 -2.6705 -2.6705 -2.6703 -2.6703 -1.3237 -1.3237 -1.3226 -1.3226 0.2730 0.2730 0.2764 0.2764 0.6620 0.6620 0.6700 0.6700 1.6239 1.6239 1.6345 1.6345 2.2247 2.2247 2.2317 2.2317 3.2885 3.2885 3.2925 3.2925 4.2641 4.2641 4.2648 4.2648 4.4854 4.4854 4.4876 4.4876 12.5026 12.5026 12.5046 12.5046 12.7334 12.7334 12.7466 12.7466 13.2402 13.2402 k = 0.2679 0.4330 0.5389 ( 4308 PWs) bands (ev): -13.5826 -13.5826 -13.5825 -13.5825 -9.8887 -9.8887 -9.8870 -9.8870 -9.4879 -9.4879 -9.4862 -9.4862 -2.7212 -2.7212 -2.7210 -2.7210 -1.2464 -1.2464 -1.2450 -1.2450 0.2345 0.2345 0.2376 0.2376 0.6571 0.6571 0.6654 0.6654 1.6277 1.6277 1.6380 1.6380 2.2266 2.2266 2.2338 2.2338 3.2898 3.2898 3.2941 3.2941 4.2423 4.2423 4.2429 4.2429 4.5237 4.5237 4.5257 4.5257 12.4890 12.4890 12.4907 12.4907 12.7062 12.7062 12.7192 12.7192 13.2765 13.2765 k = 0.2593 0.4190 0.5389 ( 4308 PWs) bands (ev): -13.5860 -13.5860 -13.5859 -13.5859 -9.8478 -9.8478 -9.8461 -9.8461 -9.5208 -9.5208 -9.5191 -9.5191 -2.7733 -2.7733 -2.7732 -2.7732 -1.1699 -1.1699 -1.1683 -1.1683 0.1948 0.1948 0.1976 0.1976 0.6525 0.6525 0.6612 0.6612 1.6330 1.6330 1.6429 1.6429 2.2301 2.2301 2.2376 2.2376 3.2911 3.2911 3.2957 3.2957 4.2219 4.2219 4.2225 4.2225 4.5625 4.5625 4.5643 4.5643 12.4697 12.4697 12.4711 12.4711 12.6740 12.6740 12.6868 12.6868 13.3169 13.3169 k = 0.2506 0.4051 0.5389 ( 4316 PWs) bands (ev): -13.5895 -13.5895 -13.5894 -13.5894 -9.8061 -9.8061 -9.8043 -9.8043 -9.5532 -9.5532 -9.5515 -9.5515 -2.8268 -2.8268 -2.8268 -2.8268 -1.0947 -1.0947 -1.0929 -1.0929 0.1541 0.1541 0.1566 0.1566 0.6484 0.6484 0.6574 0.6574 1.6398 1.6398 1.6493 1.6493 2.2353 2.2353 2.2429 2.2429 3.2923 3.2923 3.2972 3.2972 4.2029 4.2029 4.2035 4.2035 4.6015 4.6015 4.6033 4.6033 12.4462 12.4462 12.4474 12.4474 12.6371 12.6371 12.6496 12.6496 13.3588 13.3588 k = 0.2420 0.3911 0.5389 ( 4320 PWs) bands (ev): -13.5930 -13.5930 -13.5929 -13.5929 -9.7636 -9.7636 -9.7617 -9.7617 -9.5850 -9.5850 -9.5834 -9.5834 -2.8816 -2.8816 -2.8816 -2.8816 -1.0211 -1.0211 -1.0189 -1.0189 0.1127 0.1127 0.1150 0.1150 0.6448 0.6448 0.6541 0.6541 1.6479 1.6479 1.6571 1.6571 2.2421 2.2421 2.2499 2.2499 3.2937 3.2937 3.2989 3.2989 4.1855 4.1855 4.1859 4.1859 4.6408 4.6408 4.6424 4.6424 12.4201 12.4201 12.4210 12.4210 12.5960 12.5960 12.6082 12.6082 13.4000 13.4000 k = 0.2334 0.3771 0.5389 ( 4312 PWs) bands (ev): -13.5965 -13.5965 -13.5964 -13.5964 -9.7204 -9.7204 -9.7185 -9.7185 -9.6161 -9.6161 -9.6145 -9.6145 -2.9376 -2.9376 -2.9375 -2.9375 -0.9494 -0.9494 -0.9468 -0.9468 0.0709 0.0709 0.0729 0.0729 0.6417 0.6417 0.6513 0.6513 1.6573 1.6573 1.6661 1.6661 2.2505 2.2505 2.2585 2.2585 3.2953 3.2953 3.3008 3.3008 4.1694 4.1694 4.1698 4.1698 4.6801 4.6801 4.6816 4.6816 12.3923 12.3923 12.3931 12.3931 12.5513 12.5513 12.5630 12.5630 13.4380 13.4380 k = 0.2247 0.3632 0.5389 ( 4316 PWs) bands (ev): -13.6001 -13.6001 -13.6000 -13.6000 -9.6766 -9.6766 -9.6747 -9.6747 -9.6464 -9.6464 -9.6449 -9.6449 -2.9946 -2.9946 -2.9945 -2.9945 -0.8797 -0.8797 -0.8769 -0.8769 0.0288 0.0288 0.0306 0.0306 0.6392 0.6392 0.6491 0.6491 1.6678 1.6678 1.6762 1.6762 2.2605 2.2605 2.2687 2.2687 3.2972 3.2972 3.3031 3.3031 4.1546 4.1546 4.1550 4.1550 4.7194 4.7194 4.7207 4.7207 12.3639 12.3639 12.3645 12.3645 12.5035 12.5035 12.5148 12.5148 13.4706 13.4706 k = 0.2161 0.3492 0.5389 ( 4312 PWs) bands (ev): -13.6037 -13.6037 -13.6036 -13.6036 -9.6761 -9.6761 -9.6746 -9.6746 -9.6322 -9.6322 -9.6303 -9.6303 -3.0525 -3.0525 -3.0523 -3.0523 -0.8125 -0.8125 -0.8094 -0.8094 -0.0132 -0.0132 -0.0117 -0.0117 0.6372 0.6372 0.6474 0.6474 1.6792 1.6792 1.6872 1.6872 2.2719 2.2719 2.2803 2.2803 3.2996 3.2996 3.3058 3.3058 4.1412 4.1412 4.1415 4.1415 4.7585 4.7585 4.7596 4.7596 12.3354 12.3354 12.3360 12.3360 12.4531 12.4531 12.4640 12.4640 13.4957 13.4957 k = 0.2074 0.3352 0.5389 ( 4312 PWs) bands (ev): -13.6072 -13.6072 -13.6071 -13.6071 -9.7048 -9.7048 -9.7033 -9.7033 -9.5875 -9.5875 -9.5857 -9.5857 -3.1111 -3.1111 -3.1109 -3.1109 -0.7480 -0.7480 -0.7445 -0.7445 -0.0549 -0.0549 -0.0536 -0.0536 0.6360 0.6360 0.6465 0.6465 1.6915 1.6915 1.6991 1.6991 2.2847 2.2847 2.2933 2.2933 3.3026 3.3026 3.3091 3.3091 4.1290 4.1290 4.1293 4.1293 4.7972 4.7972 4.7982 4.7982 12.3076 12.3076 12.3081 12.3081 12.4008 12.4008 12.4111 12.4111 13.5114 13.5114 k = 0.1988 0.3213 0.5389 ( 4320 PWs) bands (ev): -13.6108 -13.6108 -13.6107 -13.6107 -9.7326 -9.7326 -9.7312 -9.7312 -9.5426 -9.5426 -9.5407 -9.5407 -3.1703 -3.1703 -3.1699 -3.1699 -0.6864 -0.6864 -0.6826 -0.6826 -0.0961 -0.0961 -0.0950 -0.0950 0.6356 0.6356 0.6462 0.6462 1.7045 1.7045 1.7117 1.7117 2.2986 2.2986 2.3074 2.3074 3.3063 3.3063 3.3131 3.3131 4.1181 4.1181 4.1182 4.1182 4.8355 4.8355 4.8363 4.8363 12.2808 12.2808 12.2813 12.2813 12.3470 12.3470 12.3568 12.3568 13.5166 13.5166 k = 0.1901 0.3073 0.5389 ( 4320 PWs) bands (ev): -13.6143 -13.6143 -13.6142 -13.6142 -9.7595 -9.7595 -9.7581 -9.7581 -9.4975 -9.4975 -9.4957 -9.4957 -3.2297 -3.2297 -3.2294 -3.2294 -0.6279 -0.6279 -0.6237 -0.6237 -0.1366 -0.1366 -0.1357 -0.1357 0.6359 0.6359 0.6467 0.6467 1.7180 1.7180 1.7248 1.7248 2.3136 2.3136 2.3224 2.3224 3.3110 3.3110 3.3181 3.3181 4.1082 4.1082 4.1083 4.1083 4.8732 4.8732 4.8738 4.8738 12.2553 12.2553 12.2559 12.2559 12.2924 12.2924 12.3016 12.3016 13.5107 13.5107 k = 0.1815 0.2933 0.5389 ( 4328 PWs) bands (ev): -13.6178 -13.6178 -13.6177 -13.6177 -9.7854 -9.7854 -9.7840 -9.7840 -9.4525 -9.4525 -9.4506 -9.4506 -3.2893 -3.2893 -3.2889 -3.2889 -0.5726 -0.5726 -0.5682 -0.5682 -0.1763 -0.1763 -0.1755 -0.1755 0.6370 0.6370 0.6480 0.6480 1.7319 1.7319 1.7384 1.7384 2.3292 2.3292 2.3382 2.3382 3.3167 3.3167 3.3240 3.3240 4.0995 4.0995 4.0995 4.0995 4.9101 4.9101 4.9107 4.9107 12.2297 12.2297 12.2321 12.2321 12.2392 12.2392 12.2460 12.2460 13.4941 13.4941 k = 0.1729 0.2794 0.5389 ( 4332 PWs) bands (ev): -13.6212 -13.6212 -13.6211 -13.6211 -9.8103 -9.8103 -9.8090 -9.8090 -9.4076 -9.4076 -9.4058 -9.4058 -3.3488 -3.3488 -3.3484 -3.3484 -0.5208 -0.5208 -0.5162 -0.5162 -0.2148 -0.2148 -0.2142 -0.2142 0.6391 0.6391 0.6502 0.6502 1.7462 1.7462 1.7523 1.7523 2.3453 2.3453 2.3543 2.3543 3.3236 3.3236 3.3312 3.3312 4.0917 4.0917 4.0917 4.0917 4.9463 4.9463 4.9466 4.9466 12.1807 12.1807 12.1898 12.1898 12.2108 12.2108 12.2113 12.2113 13.4680 13.4680 k = 0.1642 0.2654 0.5389 ( 4332 PWs) bands (ev): -13.6246 -13.6246 -13.6245 -13.6245 -9.8341 -9.8341 -9.8328 -9.8328 -9.3630 -9.3630 -9.3612 -9.3612 -3.4080 -3.4080 -3.4075 -3.4075 -0.4726 -0.4726 -0.4677 -0.4677 -0.2521 -0.2521 -0.2516 -0.2516 0.6420 0.6420 0.6531 0.6531 1.7607 1.7607 1.7664 1.7664 2.3617 2.3617 2.3707 2.3707 3.3319 3.3319 3.3396 3.3396 4.0848 4.0848 4.0848 4.0848 4.9814 4.9814 4.9817 4.9817 12.1260 12.1260 12.1345 12.1345 12.1911 12.1911 12.1914 12.1914 13.4342 13.4342 k = 0.1556 0.2514 0.5389 ( 4332 PWs) bands (ev): -13.6279 -13.6279 -13.6278 -13.6278 -9.8568 -9.8568 -9.8556 -9.8556 -9.3189 -9.3189 -9.3171 -9.3171 -3.4666 -3.4666 -3.4661 -3.4661 -0.4279 -0.4279 -0.4228 -0.4228 -0.2881 -0.2881 -0.2877 -0.2877 0.6458 0.6458 0.6569 0.6569 1.7752 1.7752 1.7806 1.7806 2.3779 2.3779 2.3869 2.3869 3.3415 3.3415 3.3493 3.3493 4.0787 4.0787 4.0788 4.0788 5.0155 5.0155 5.0156 5.0156 12.0719 12.0719 12.0798 12.0798 12.1738 12.1738 12.1741 12.1741 13.3943 13.3943 k = 0.1469 0.2375 0.5389 ( 4340 PWs) bands (ev): -13.6311 -13.6311 -13.6310 -13.6310 -9.8784 -9.8784 -9.8773 -9.8773 -9.2755 -9.2755 -9.2737 -9.2737 -3.5244 -3.5244 -3.5238 -3.5238 -0.3869 -0.3869 -0.3816 -0.3816 -0.3225 -0.3225 -0.3223 -0.3223 0.6505 0.6505 0.6614 0.6614 1.7896 1.7896 1.7947 1.7947 2.3938 2.3938 2.4027 2.4027 3.3526 3.3526 3.3605 3.3605 4.0735 4.0735 4.0736 4.0736 5.0483 5.0483 5.0483 5.0483 12.0188 12.0188 12.0262 12.0262 12.1588 12.1588 12.1591 12.1591 13.3504 13.3504 k = 0.1383 0.2235 0.5389 ( 4348 PWs) bands (ev): -13.6342 -13.6342 -13.6341 -13.6341 -9.8989 -9.8989 -9.8978 -9.8978 -9.2329 -9.2329 -9.2312 -9.2312 -3.5811 -3.5811 -3.5805 -3.5805 -0.3571 -0.3571 -0.3554 -0.3554 -0.3476 -0.3476 -0.3438 -0.3438 0.6560 0.6560 0.6668 0.6668 1.8039 1.8039 1.8086 1.8086 2.4090 2.4090 2.4178 2.4178 3.3652 3.3652 3.3731 3.3731 4.0690 4.0690 4.0691 4.0691 5.0797 5.0797 5.0798 5.0798 11.9671 11.9671 11.9741 11.9741 12.1461 12.1461 12.1464 12.1464 13.3041 13.3041 k = 0.1296 0.2095 0.5389 ( 4340 PWs) bands (ev): -13.6371 -13.6371 -13.6370 -13.6370 -9.9182 -9.9182 -9.9172 -9.9172 -9.1913 -9.1913 -9.1897 -9.1897 -3.6364 -3.6364 -3.6357 -3.6357 -0.3870 -0.3870 -0.3866 -0.3866 -0.3149 -0.3149 -0.3098 -0.3098 0.6622 0.6622 0.6728 0.6728 1.8179 1.8179 1.8223 1.8223 2.4235 2.4235 2.4320 2.4320 3.3793 3.3793 3.3871 3.3871 4.0651 4.0651 4.0653 4.0653 5.1098 5.1098 5.1100 5.1100 11.9171 11.9171 11.9236 11.9236 12.1356 12.1356 12.1360 12.1360 13.2568 13.2568 k = 0.1210 0.1956 0.5389 ( 4340 PWs) bands (ev): -13.6400 -13.6400 -13.6399 -13.6399 -9.9363 -9.9363 -9.9354 -9.9354 -9.1510 -9.1510 -9.1494 -9.1494 -3.6900 -3.6900 -3.6894 -3.6894 -0.4164 -0.4164 -0.4162 -0.4162 -0.2843 -0.2843 -0.2792 -0.2792 0.6691 0.6691 0.6793 0.6793 1.8315 1.8315 1.8356 1.8356 2.4368 2.4368 2.4451 2.4451 3.3946 3.3946 3.4023 3.4023 4.0619 4.0619 4.0620 4.0620 5.1382 5.1382 5.1385 5.1385 11.8691 11.8691 11.8752 11.8752 12.1274 12.1274 12.1278 12.1278 13.2097 13.2097 k = 0.1124 0.1816 0.5389 ( 4332 PWs) bands (ev): -13.6427 -13.6427 -13.6426 -13.6426 -9.9533 -9.9533 -9.9524 -9.9524 -9.1121 -9.1121 -9.1106 -9.1106 -3.7417 -3.7417 -3.7410 -3.7410 -0.4441 -0.4441 -0.4439 -0.4439 -0.2569 -0.2569 -0.2519 -0.2519 0.6766 0.6766 0.6864 0.6864 1.8447 1.8447 1.8484 1.8484 2.4491 2.4491 2.4570 2.4570 3.4111 3.4111 3.4186 3.4186 4.0591 4.0591 4.0593 4.0593 5.1651 5.1651 5.1655 5.1655 11.8233 11.8233 11.8289 11.8289 12.1211 12.1211 12.1216 12.1216 13.1638 13.1638 k = 0.1037 0.1676 0.5389 ( 4332 PWs) bands (ev): -13.6452 -13.6452 -13.6452 -13.6452 -9.9690 -9.9690 -9.9682 -9.9682 -9.0749 -9.0749 -9.0734 -9.0734 -3.7911 -3.7911 -3.7904 -3.7904 -0.4699 -0.4699 -0.4697 -0.4697 -0.2326 -0.2326 -0.2277 -0.2277 0.6844 0.6844 0.6938 0.6938 1.8573 1.8573 1.8607 1.8607 2.4600 2.4600 2.4675 2.4675 3.4286 3.4286 3.4357 3.4357 4.0569 4.0569 4.0571 4.0571 5.1903 5.1903 5.1907 5.1907 11.7800 11.7800 11.7852 11.7852 12.1168 12.1168 12.1172 12.1172 13.1200 13.1200 k = 0.0951 0.1536 0.5389 ( 4332 PWs) bands (ev): -13.6476 -13.6476 -13.6476 -13.6476 -9.9835 -9.9835 -9.9827 -9.9827 -9.0395 -9.0395 -9.0382 -9.0382 -3.8379 -3.8379 -3.8373 -3.8373 -0.4937 -0.4937 -0.4936 -0.4936 -0.2111 -0.2111 -0.2065 -0.2065 0.6925 0.6925 0.7013 0.7013 1.8692 1.8692 1.8723 1.8723 2.4697 2.4697 2.4768 2.4768 3.4466 3.4466 3.4534 3.4534 4.0550 4.0550 4.0552 4.0552 5.2137 5.2137 5.2142 5.2142 11.7394 11.7394 11.7442 11.7442 12.1140 12.1140 12.1145 12.1145 13.0790 13.0790 k = 0.0864 0.1397 0.5389 ( 4328 PWs) bands (ev): -13.6499 -13.6499 -13.6498 -13.6498 -9.9968 -9.9968 -9.9961 -9.9961 -9.0063 -9.0063 -9.0050 -9.0050 -3.8819 -3.8819 -3.8813 -3.8813 -0.5156 -0.5156 -0.5156 -0.5156 -0.1924 -0.1924 -0.1880 -0.1880 0.7007 0.7007 0.7088 0.7088 1.8803 1.8803 1.8832 1.8832 2.4781 2.4781 2.4847 2.4847 3.4649 3.4649 3.4713 3.4713 4.0536 4.0536 4.0538 4.0538 5.2353 5.2353 5.2358 5.2358 11.7017 11.7017 11.7060 11.7060 12.1126 12.1126 12.1131 12.1131 13.0414 13.0414 k = 0.0778 0.1257 0.5389 ( 4332 PWs) bands (ev): -13.6519 -13.6519 -13.6518 -13.6518 -10.0088 -10.0088 -10.0082 -10.0082 -8.9754 -8.9754 -8.9742 -8.9742 -3.9228 -3.9228 -3.9222 -3.9222 -0.5355 -0.5355 -0.5355 -0.5355 -0.1761 -0.1761 -0.1721 -0.1721 0.7088 0.7088 0.7162 0.7162 1.8907 1.8907 1.8933 1.8933 2.4853 2.4853 2.4913 2.4913 3.4831 3.4831 3.4890 3.4890 4.0524 4.0524 4.0526 4.0526 5.2550 5.2550 5.2555 5.2555 11.6671 11.6671 11.6710 11.6710 12.1123 12.1123 12.1127 12.1127 13.0074 13.0074 k = 0.0691 0.1117 0.5389 ( 4344 PWs) bands (ev): -13.6538 -13.6538 -13.6537 -13.6537 -10.0196 -10.0196 -10.0190 -10.0190 -8.9470 -8.9470 -8.9459 -8.9459 -3.9603 -3.9603 -3.9597 -3.9597 -0.5534 -0.5534 -0.5534 -0.5534 -0.1622 -0.1622 -0.1585 -0.1585 0.7166 0.7166 0.7233 0.7233 1.9002 1.9002 1.9024 1.9024 2.4914 2.4914 2.4968 2.4968 3.5008 3.5008 3.5062 3.5062 4.0515 4.0515 4.0517 4.0517 5.2728 5.2728 5.2733 5.2733 11.6356 11.6356 11.6391 11.6391 12.1127 12.1127 12.1131 12.1131 12.9776 12.9776 k = 0.0605 0.0978 0.5389 ( 4332 PWs) bands (ev): -13.6554 -13.6554 -13.6554 -13.6554 -10.0291 -10.0291 -10.0286 -10.0286 -8.9214 -8.9214 -8.9204 -8.9204 -3.9940 -3.9940 -3.9935 -3.9935 -0.5692 -0.5692 -0.5692 -0.5692 -0.1503 -0.1503 -0.1471 -0.1471 0.7240 0.7240 0.7299 0.7299 1.9087 1.9087 1.9107 1.9107 2.4964 2.4964 2.5012 2.5012 3.5176 3.5176 3.5224 3.5224 4.0508 4.0508 4.0510 4.0510 5.2885 5.2885 5.2890 5.2890 11.6076 11.6076 11.6106 11.6106 12.1137 12.1137 12.1141 12.1141 12.9519 12.9519 k = 0.0519 0.0838 0.5389 ( 4328 PWs) bands (ev): -13.6569 -13.6569 -13.6568 -13.6568 -10.0374 -10.0374 -10.0369 -10.0369 -8.8987 -8.8987 -8.8979 -8.8979 -4.0238 -4.0238 -4.0234 -4.0234 -0.5829 -0.5829 -0.5829 -0.5829 -0.1404 -0.1404 -0.1376 -0.1376 0.7308 0.7308 0.7359 0.7359 1.9162 1.9162 1.9179 1.9179 2.5005 2.5005 2.5046 2.5046 3.5331 3.5331 3.5373 3.5373 4.0503 4.0503 4.0504 4.0504 5.3022 5.3022 5.3027 5.3027 11.5831 11.5831 11.5857 11.5857 12.1149 12.1149 12.1152 12.1152 12.9304 12.9304 k = 0.0432 0.0698 0.5389 ( 4332 PWs) bands (ev): -13.6581 -13.6581 -13.6581 -13.6581 -10.0444 -10.0444 -10.0440 -10.0440 -8.8792 -8.8792 -8.8785 -8.8785 -4.0495 -4.0495 -4.0491 -4.0491 -0.5946 -0.5946 -0.5946 -0.5946 -0.1322 -0.1322 -0.1298 -0.1298 0.7368 0.7368 0.7412 0.7412 1.9227 1.9227 1.9241 1.9241 2.5038 2.5038 2.5072 2.5072 3.5470 3.5470 3.5505 3.5505 4.0499 4.0499 4.0500 4.0500 5.3139 5.3139 5.3143 5.3143 11.5622 11.5622 11.5644 11.5644 12.1162 12.1162 12.1164 12.1164 12.9129 12.9129 k = 0.0346 0.0559 0.5389 ( 4320 PWs) bands (ev): -13.6591 -13.6591 -13.6591 -13.6591 -10.0501 -10.0501 -10.0498 -10.0498 -8.8629 -8.8629 -8.8624 -8.8624 -4.0707 -4.0707 -4.0704 -4.0704 -0.6041 -0.6041 -0.6041 -0.6041 -0.1257 -0.1257 -0.1238 -0.1238 0.7421 0.7421 0.7456 0.7456 1.9281 1.9281 1.9292 1.9292 2.5064 2.5064 2.5092 2.5092 3.5589 3.5589 3.5618 3.5618 4.0497 4.0497 4.0498 4.0498 5.3235 5.3235 5.3238 5.3238 11.5450 11.5450 11.5467 11.5467 12.1173 12.1173 12.1175 12.1175 12.8993 12.8994 k = 0.0259 0.0419 0.5389 ( 4316 PWs) bands (ev): -13.6599 -13.6599 -13.6599 -13.6599 -10.0545 -10.0545 -10.0543 -10.0543 -8.8501 -8.8501 -8.8497 -8.8497 -4.0875 -4.0875 -4.0872 -4.0872 -0.6116 -0.6116 -0.6116 -0.6116 -0.1207 -0.1207 -0.1192 -0.1192 0.7463 0.7463 0.7490 0.7490 1.9323 1.9323 1.9332 1.9332 2.5083 2.5083 2.5104 2.5104 3.5686 3.5686 3.5707 3.5707 4.0495 4.0495 4.0496 4.0496 5.3310 5.3310 5.3312 5.3312 11.5316 11.5316 11.5329 11.5329 12.1183 12.1183 12.1184 12.1184 12.8893 12.8893 k = 0.0173 0.0279 0.5389 ( 4316 PWs) bands (ev): -13.6605 -13.6605 -13.6605 -13.6605 -10.0577 -10.0577 -10.0575 -10.0575 -8.8409 -8.8409 -8.8406 -8.8406 -4.0995 -4.0995 -4.0993 -4.0993 -0.6169 -0.6169 -0.6169 -0.6169 -0.1171 -0.1171 -0.1161 -0.1161 0.7496 0.7496 0.7513 0.7513 1.9354 1.9354 1.9360 1.9360 2.5098 2.5098 2.5112 2.5112 3.5757 3.5757 3.5772 3.5772 4.0494 4.0494 4.0494 4.0494 5.3363 5.3363 5.3365 5.3365 11.5220 11.5220 11.5229 11.5229 12.1190 12.1190 12.1191 12.1191 12.8824 12.8824 k = 0.0086 0.0140 0.5389 ( 4328 PWs) bands (ev): -13.6608 -13.6608 -13.6608 -13.6608 -10.0596 -10.0596 -10.0595 -10.0595 -8.8352 -8.8352 -8.8351 -8.8351 -4.1068 -4.1068 -4.1067 -4.1067 -0.6201 -0.6201 -0.6201 -0.6201 -0.1149 -0.1149 -0.1144 -0.1144 0.7517 0.7517 0.7526 0.7526 1.9373 1.9373 1.9376 1.9376 2.5108 2.5108 2.5115 2.5115 3.5802 3.5802 3.5809 3.5809 4.0493 4.0493 4.0494 4.0494 5.3396 5.3396 5.3397 5.3397 11.5164 11.5164 11.5168 11.5168 12.1194 12.1194 12.1194 12.1194 12.8784 12.8784 k = 0.0000 0.0000 0.5389 ( 4340 PWs) bands (ev): -13.6609 -13.6609 -13.6609 -13.6609 -10.0602 -10.0602 -10.0602 -10.0602 -8.8333 -8.8333 -8.8333 -8.8333 -4.1092 -4.1092 -4.1092 -4.1092 -0.6212 -0.6212 -0.6212 -0.6212 -0.1140 -0.1140 -0.1140 -0.1140 0.7527 0.7527 0.7527 0.7527 1.9381 1.9381 1.9381 1.9381 2.5113 2.5113 2.5113 2.5113 3.5820 3.5820 3.5820 3.5820 4.0493 4.0493 4.0493 4.0493 5.3407 5.3407 5.3407 5.3407 11.5146 11.5146 11.5146 11.5146 12.1195 12.1195 12.1195 12.1195 12.8772 12.8772 k = 0.0000 0.0000 0.5389 ( 4340 PWs) bands (ev): -13.6609 -13.6609 -13.6609 -13.6609 -10.0602 -10.0602 -10.0602 -10.0602 -8.8333 -8.8333 -8.8333 -8.8333 -4.1092 -4.1092 -4.1092 -4.1092 -0.6212 -0.6212 -0.6212 -0.6212 -0.1140 -0.1140 -0.1140 -0.1140 0.7527 0.7527 0.7527 0.7527 1.9381 1.9381 1.9381 1.9381 2.5113 2.5113 2.5113 2.5113 3.5820 3.5820 3.5820 3.5820 4.0493 4.0493 4.0493 4.0493 5.3407 5.3407 5.3407 5.3407 11.5146 11.5146 11.5146 11.5146 12.1195 12.1195 12.1195 12.1195 12.8772 12.8772 k = 0.0000 0.0000 0.5226 ( 4340 PWs) bands (ev): -13.6735 -13.6735 -13.6485 -13.6485 -10.1030 -10.1030 -10.0163 -10.0163 -8.8383 -8.8383 -8.8289 -8.8289 -4.1111 -4.1111 -4.1047 -4.1047 -0.6390 -0.6390 -0.6027 -0.6027 -0.2002 -0.2002 -0.0403 -0.0403 0.7383 0.7383 0.7794 0.7794 1.9125 1.9125 1.9592 1.9592 2.5084 2.5084 2.5159 2.5159 3.5712 3.5712 3.5926 3.5926 4.0233 4.0233 4.0739 4.0739 5.3217 5.3217 5.3586 5.3586 11.5118 11.5118 11.5273 11.5273 12.1115 12.1115 12.1267 12.1267 12.8314 12.8314 k = 0.0000 0.0000 0.5063 ( 4338 PWs) bands (ev): -13.6861 -13.6861 -13.6362 -13.6362 -10.1447 -10.1447 -9.9714 -9.9714 -8.8438 -8.8438 -8.8250 -8.8250 -4.1106 -4.1106 -4.0978 -4.0978 -0.6562 -0.6562 -0.5837 -0.5837 -0.2965 -0.2965 0.0190 0.0190 0.7340 0.7340 0.8200 0.8200 1.8827 1.8827 1.9757 1.9757 2.5068 2.5068 2.5225 2.5225 3.5602 3.5602 3.6031 3.6031 3.9959 3.9959 4.0970 4.0970 5.3019 5.3019 5.3756 5.3756 11.5189 11.5189 11.5498 11.5498 12.1037 12.1037 12.1318 12.1318 12.7856 12.7856 k = 0.0000 0.0000 0.4899 ( 4338 PWs) bands (ev): -13.6988 -13.6988 -13.6241 -13.6241 -10.1852 -10.1852 -9.9255 -9.9255 -8.8499 -8.8499 -8.8217 -8.8217 -4.1078 -4.1078 -4.0883 -4.0883 -0.6727 -0.6727 -0.5644 -0.5644 -0.4002 -0.4002 0.0631 0.0631 0.7376 0.7376 0.8746 0.8746 1.8487 1.8487 1.9877 1.9877 2.5065 2.5065 2.5312 2.5312 3.5491 3.5491 3.6134 3.6134 3.9674 3.9674 4.1186 4.1186 5.2811 5.2811 5.3915 5.3915 11.5358 11.5358 11.5820 11.5820 12.0966 12.0966 12.1330 12.1330 12.7426 12.7426 k = 0.0000 0.0000 0.4736 ( 4336 PWs) bands (ev): -13.7115 -13.7115 -13.6121 -13.6121 -10.2245 -10.2245 -9.8787 -9.8787 -8.8564 -8.8564 -8.8190 -8.8190 -4.1026 -4.1026 -4.0764 -4.0764 -0.6883 -0.6883 -0.5448 -0.5448 -0.5090 -0.5090 0.0932 0.0932 0.7474 0.7474 0.9416 0.9416 1.8106 1.8106 1.9949 1.9949 2.5071 2.5071 2.5426 2.5426 3.5379 3.5379 3.6235 3.6235 3.9378 3.9378 4.1387 4.1387 5.2596 5.2596 5.4064 5.4064 11.5624 11.5624 11.6235 11.6235 12.0906 12.0906 12.1278 12.1278 12.7056 12.7056 k = 0.0000 0.0000 0.4573 ( 4328 PWs) bands (ev): -13.7242 -13.7242 -13.6004 -13.6004 -10.2625 -10.2625 -9.8312 -9.8312 -8.8634 -8.8634 -8.8168 -8.8168 -4.0953 -4.0953 -4.0619 -4.0619 -0.7029 -0.7029 -0.6221 -0.6221 -0.5245 -0.5245 0.1114 0.1114 0.7618 0.7618 1.0185 1.0185 1.7686 1.7686 1.9974 1.9974 2.5085 2.5085 2.5568 2.5568 3.5267 3.5267 3.6333 3.6333 3.9074 3.9074 4.1576 4.1576 5.2374 5.2374 5.4202 5.4202 11.5985 11.5985 11.6743 11.6743 12.0861 12.0861 12.1139 12.1139 12.6776 12.6776 k = 0.0000 0.0000 0.4409 ( 4332 PWs) bands (ev): -13.7368 -13.7368 -13.5889 -13.5889 -10.2993 -10.2993 -9.7829 -9.7829 -8.8707 -8.8707 -8.8152 -8.8152 -4.0859 -4.0859 -4.0450 -4.0450 -0.7372 -0.7372 -0.7165 -0.7165 -0.5044 -0.5044 0.1204 0.1204 0.7799 0.7799 1.1019 1.1019 1.7230 1.7230 1.9950 1.9950 2.5104 2.5104 2.5743 2.5743 3.5153 3.5153 3.6430 3.6430 3.8764 3.8764 4.1752 4.1752 5.2146 5.2146 5.4329 5.4329 11.6438 11.6438 11.7337 11.7337 12.0830 12.0830 12.0894 12.0894 12.6611 12.6611 k = 0.0000 0.0000 0.4246 ( 4328 PWs) bands (ev): -13.7494 -13.7494 -13.5777 -13.5777 -10.3348 -10.3348 -9.7339 -9.7339 -8.8785 -8.8785 -8.8141 -8.8141 -4.0744 -4.0744 -4.0257 -4.0257 -0.8535 -0.8535 -0.7290 -0.7290 -0.4841 -0.4841 0.1226 0.1226 0.8008 0.8008 1.1888 1.1888 1.6738 1.6738 1.9879 1.9879 2.5127 2.5127 2.5955 2.5955 3.5040 3.5040 3.6525 3.6525 3.8453 3.8453 4.1917 4.1917 5.1912 5.1912 5.4446 5.4446 11.6981 11.6981 11.8016 11.8016 12.0535 12.0535 12.0816 12.0816 12.6573 12.6573 k = 0.0000 0.0000 0.4083 ( 4324 PWs) bands (ev): -13.7618 -13.7618 -13.5668 -13.5668 -10.3690 -10.3690 -9.6845 -9.6845 -8.8865 -8.8865 -8.8136 -8.8136 -4.0612 -4.0612 -4.0041 -4.0041 -0.9704 -0.9704 -0.7404 -0.7404 -0.4638 -0.4638 0.1198 0.1198 0.8240 0.8240 1.2767 1.2767 1.6214 1.6214 1.9759 1.9759 2.5152 2.5152 2.6210 2.6210 3.4926 3.4926 3.6619 3.6619 3.8142 3.8142 4.2072 4.2072 5.1675 5.1675 5.4554 5.4554 11.7608 11.7608 11.8773 11.8773 12.0075 12.0075 12.0816 12.0816 12.6654 12.6654 k = 0.0000 0.0000 0.3919 ( 4308 PWs) bands (ev): -13.7741 -13.7741 -13.5562 -13.5562 -10.4019 -10.4019 -9.6346 -9.6346 -8.8948 -8.8948 -8.8135 -8.8135 -4.0463 -4.0463 -3.9803 -3.9803 -1.0871 -1.0871 -0.7504 -0.7504 -0.4435 -0.4435 0.1135 0.1135 0.8490 0.8490 1.3634 1.3634 1.5659 1.5659 1.9591 1.9591 2.5177 2.5177 2.6510 2.6510 3.4813 3.4813 3.6710 3.6710 3.7836 3.7836 4.2219 4.2219 5.1435 5.1435 5.4652 5.4652 11.8318 11.8318 11.9527 11.9527 11.9606 11.9606 12.0832 12.0832 12.6840 12.6840 k = 0.0000 0.0000 0.3756 ( 4304 PWs) bands (ev): -13.7863 -13.7863 -13.5459 -13.5459 -10.4334 -10.4334 -9.5844 -9.5844 -8.9033 -8.9033 -8.8140 -8.8140 -4.0298 -4.0298 -3.9544 -3.9544 -1.2030 -1.2030 -0.7591 -0.7591 -0.4233 -0.4233 0.1048 0.1048 0.8755 0.8755 1.4472 1.4472 1.5077 1.5077 1.9376 1.9376 2.5200 2.5200 2.6860 2.6860 3.4700 3.4700 3.6798 3.6798 3.7538 3.7538 4.2359 4.2359 5.1193 5.1193 5.4741 5.4741 11.8920 11.8920 11.9106 11.9106 12.0500 12.0500 12.0861 12.0861 12.7110 12.7110 k = 0.0000 0.0000 0.3593 ( 4308 PWs) bands (ev): -13.7982 -13.7982 -13.5359 -13.5359 -10.4636 -10.4636 -9.5341 -9.5341 -8.9120 -8.9120 -8.8148 -8.8148 -4.0120 -4.0120 -3.9265 -3.9265 -1.3177 -1.3177 -0.7664 -0.7664 -0.4033 -0.4033 0.0944 0.0944 0.9032 0.9032 1.4470 1.4470 1.5268 1.5268 1.9116 1.9116 2.5221 2.5221 2.7263 2.7263 3.4589 3.4589 3.6882 3.6882 3.7252 3.7252 4.2493 4.2493 5.0950 5.0950 5.4822 5.4822 11.8270 11.8270 11.9962 11.9962 12.0902 12.0902 12.1457 12.1457 12.7449 12.7449 k = 0.0000 0.0000 0.3430 ( 4306 PWs) bands (ev): -13.8098 -13.8098 -13.5263 -13.5263 -10.4924 -10.4924 -9.4838 -9.4838 -8.9208 -8.9208 -8.8161 -8.8161 -3.9930 -3.9930 -3.8968 -3.8968 -1.4307 -1.4307 -0.7723 -0.7723 -0.3835 -0.3835 0.0829 0.0829 0.9319 0.9319 1.3842 1.3842 1.6009 1.6009 1.8812 1.8812 2.5237 2.5237 2.7721 2.7721 3.4479 3.4479 3.6912 3.6912 3.7032 3.7032 4.2622 4.2622 5.0709 5.0709 5.4896 5.4896 11.7589 11.7589 12.0885 12.0885 12.0955 12.0955 12.2462 12.2462 12.7841 12.7841 k = 0.0000 0.0000 0.3266 ( 4314 PWs) bands (ev): -13.8212 -13.8212 -13.5171 -13.5171 -10.5198 -10.5198 -9.4336 -9.4336 -8.9296 -8.9296 -8.8176 -8.8176 -3.9730 -3.9730 -3.8655 -3.8655 -1.5417 -1.5417 -0.7766 -0.7766 -0.3639 -0.3639 0.0708 0.0708 0.9613 0.9613 1.3196 1.3196 1.6691 1.6691 1.8467 1.8467 2.5247 2.5247 2.8232 2.8232 3.4371 3.4371 3.6691 3.6691 3.7075 3.7075 4.2747 4.2747 5.0469 5.0469 5.4963 5.4963 11.6891 11.6891 12.1013 12.1013 12.1872 12.1872 12.3502 12.3502 12.8275 12.8275 k = 0.0000 0.0000 0.3103 ( 4310 PWs) bands (ev): -13.8323 -13.8323 -13.5082 -13.5082 -10.5459 -10.5459 -9.3838 -9.3838 -8.9384 -8.9384 -8.8195 -8.8195 -3.9522 -3.9522 -3.8328 -3.8328 -1.6502 -1.6502 -0.7793 -0.7793 -0.3446 -0.3446 0.0584 0.0584 0.9913 0.9913 1.2536 1.2536 1.7310 1.7310 1.8084 1.8084 2.5249 2.5249 2.8793 2.8793 3.4265 3.4265 3.6448 3.6448 3.7155 3.7155 4.2869 4.2869 5.0233 5.0233 5.5024 5.5024 11.6184 11.6184 12.1079 12.1079 12.2913 12.2913 12.4555 12.4555 12.8744 12.8744 k = 0.0000 0.0000 0.2940 ( 4314 PWs) bands (ev): -13.8430 -13.8430 -13.4998 -13.4998 -10.5706 -10.5706 -9.3344 -9.3344 -8.9472 -8.9472 -8.8217 -8.8217 -3.9309 -3.9309 -3.7988 -3.7988 -1.7559 -1.7559 -0.7805 -0.7805 -0.3257 -0.3257 0.0458 0.0458 1.0217 1.0217 1.1865 1.1865 1.7666 1.7666 1.7866 1.7866 2.5244 2.5244 2.9397 2.9397 3.4163 3.4163 3.6219 3.6219 3.7238 3.7238 4.2988 4.2988 5.0001 5.0001 5.5081 5.5081 11.5477 11.5477 12.1149 12.1149 12.4003 12.4003 12.5581 12.5581 12.9237 12.9237 k = 0.0000 0.0000 0.2776 ( 4314 PWs) bands (ev): -13.8533 -13.8533 -13.4917 -13.4917 -10.5940 -10.5940 -9.2858 -9.2858 -8.9558 -8.9558 -8.8241 -8.8241 -3.9091 -3.9091 -3.7639 -3.7639 -1.8585 -1.8585 -0.7801 -0.7801 -0.3071 -0.3071 0.0334 0.0334 1.0522 1.0522 1.1187 1.1187 1.7220 1.7220 1.8359 1.8359 2.5230 2.5230 3.0036 3.0036 3.4066 3.4066 3.6006 3.6006 3.7320 3.7320 4.3105 4.3105 4.9774 4.9774 5.5134 5.5134 11.4774 11.4774 12.1220 12.1220 12.5136 12.5136 12.6497 12.6497 12.9716 12.9717 k = 0.0000 0.0000 0.2613 ( 4318 PWs) bands (ev): -13.8633 -13.8633 -13.4841 -13.4841 -10.6160 -10.6160 -9.2380 -9.2380 -8.9643 -8.9643 -8.8266 -8.8266 -3.8872 -3.8872 -3.7282 -3.7282 -1.9576 -1.9576 -0.7781 -0.7781 -0.2889 -0.2889 0.0212 0.0212 1.0504 1.0504 1.0832 1.0832 1.6748 1.6748 1.8795 1.8795 2.5206 2.5206 3.0699 3.0699 3.3975 3.3975 3.5812 3.5812 3.7401 3.7401 4.3219 4.3219 4.9555 4.9555 5.5184 5.5184 11.4081 11.4081 12.1290 12.1290 12.6305 12.6305 12.7136 12.7136 12.9669 12.9669 k = 0.0000 0.0000 0.2450 ( 4330 PWs) bands (ev): -13.8728 -13.8728 -13.4769 -13.4769 -10.6366 -10.6366 -9.1914 -9.1914 -8.9725 -8.9725 -8.8293 -8.8293 -3.8653 -3.8653 -3.6920 -3.6920 -2.0529 -2.0529 -0.7745 -0.7745 -0.2711 -0.2711 0.0093 0.0093 0.9826 0.9826 1.1137 1.1137 1.6256 1.6256 1.9179 1.9179 2.5173 2.5173 3.1371 3.1371 3.3895 3.3895 3.5634 3.5634 3.7481 3.7481 4.3330 4.3330 4.9342 4.9342 5.5232 5.5232 11.3402 11.3402 12.1357 12.1357 12.7291 12.7291 12.7512 12.7512 12.9605 12.9605 k = 0.0000 0.0000 0.2286 ( 4334 PWs) bands (ev): -13.8818 -13.8818 -13.4701 -13.4701 -10.6558 -10.6558 -9.1462 -9.1462 -8.9804 -8.9804 -8.8320 -8.8320 -3.8436 -3.8436 -3.6557 -3.6557 -2.1441 -2.1441 -0.7695 -0.7695 -0.2538 -0.2538 -0.0021 -0.0021 0.9152 0.9152 1.1440 1.1440 1.5750 1.5750 1.9517 1.9517 2.5130 2.5130 3.2033 3.2033 3.3834 3.3834 3.5474 3.5474 3.7560 3.7560 4.3439 4.3439 4.9139 4.9139 5.5279 5.5279 11.2742 11.2742 12.1418 12.1418 12.7024 12.7024 12.8728 12.8728 12.9564 12.9564 k = 0.0000 0.0000 0.2123 ( 4318 PWs) bands (ev): -13.8903 -13.8903 -13.4638 -13.4638 -10.6737 -10.6737 -9.1025 -9.1025 -8.9880 -8.9880 -8.8348 -8.8348 -3.8224 -3.8224 -3.6196 -3.6196 -2.2309 -2.2309 -0.7630 -0.7630 -0.2368 -0.2368 -0.0130 -0.0130 0.8489 0.8489 1.1738 1.1738 1.5236 1.5236 1.9814 1.9814 2.5078 2.5078 3.2646 3.2646 3.3821 3.3821 3.5330 3.5330 3.7637 3.7637 4.3545 4.3545 4.8946 4.8946 5.5325 5.5325 11.2104 11.2104 12.1474 12.1474 12.6527 12.6527 12.9547 12.9547 12.9965 12.9965 k = 0.0000 0.0000 0.1960 ( 4308 PWs) bands (ev): -13.8983 -13.8983 -13.4579 -13.4579 -10.6903 -10.6903 -9.0607 -9.0607 -8.9953 -8.9953 -8.8375 -8.8375 -3.8018 -3.8018 -3.5839 -3.5839 -2.3128 -2.3128 -0.7553 -0.7553 -0.2203 -0.2203 -0.0233 -0.0233 0.7840 0.7840 1.2031 1.2031 1.4721 1.4721 2.0075 2.0075 2.5018 2.5018 3.3097 3.3097 3.3959 3.3959 3.5202 3.5202 3.7713 3.7713 4.3647 4.3647 4.8763 4.8763 5.5371 5.5371 11.1493 11.1493 12.1521 12.1521 12.5950 12.5950 12.9559 12.9559 13.1207 13.1207 k = 0.0000 0.0000 0.1796 ( 4306 PWs) bands (ev): -13.9058 -13.9058 -13.4525 -13.4525 -10.7055 -10.7055 -9.0210 -9.0210 -9.0020 -9.0020 -8.8402 -8.8402 -3.7821 -3.7821 -3.5491 -3.5491 -2.3897 -2.3897 -0.7466 -0.7466 -0.2041 -0.2041 -0.0329 -0.0329 0.7210 0.7210 1.2314 1.2314 1.4210 1.4210 2.0304 2.0304 2.4950 2.4950 3.3259 3.3259 3.4364 3.4364 3.5091 3.5091 3.7786 3.7786 4.3745 4.3745 4.8591 4.8591 5.5417 5.5417 11.0912 11.0912 12.1560 12.1560 12.5360 12.5360 12.9596 12.9596 13.2446 13.2446 k = 0.0000 0.0000 0.1633 ( 4314 PWs) bands (ev): -13.9127 -13.9127 -13.4475 -13.4475 -10.7194 -10.7194 -9.0086 -9.0086 -8.9834 -8.9834 -8.8428 -8.8428 -3.7634 -3.7634 -3.5156 -3.5156 -2.4612 -2.4612 -0.7369 -0.7369 -0.1884 -0.1884 -0.0418 -0.0418 0.6603 0.6603 1.2586 1.2586 1.3711 1.3711 2.0506 2.0506 2.4876 2.4876 3.3266 3.3266 3.4871 3.4871 3.5020 3.5020 3.7856 3.7856 4.3837 4.3837 4.8432 4.8432 5.5463 5.5463 11.0365 11.0365 12.1591 12.1591 12.4788 12.4788 12.9657 12.9657 13.3361 13.3361 k = 0.0000 0.0000 0.1470 ( 4314 PWs) bands (ev): -13.9190 -13.9190 -13.4430 -13.4430 -10.7319 -10.7319 -9.0144 -9.0144 -8.9487 -8.9487 -8.8453 -8.8453 -3.7459 -3.7459 -3.4836 -3.4836 -2.5270 -2.5270 -0.7266 -0.7266 -0.1731 -0.1731 -0.0500 -0.0500 0.6025 0.6025 1.2844 1.2844 1.3231 1.3231 2.0682 2.0682 2.4798 2.4798 3.3231 3.3231 3.4890 3.4890 3.5457 3.5457 3.7923 3.7923 4.3924 4.3924 4.8285 4.8285 5.5509 5.5509 10.9855 10.9855 12.1615 12.1615 12.4250 12.4250 12.9738 12.9738 13.3798 13.3798 k = 0.0000 0.0000 0.1306 ( 4314 PWs) bands (ev): -13.9246 -13.9246 -13.4390 -13.4390 -10.7431 -10.7431 -9.0198 -9.0198 -8.9167 -8.9167 -8.8476 -8.8476 -3.7298 -3.7298 -3.4537 -3.4537 -2.5868 -2.5868 -0.7159 -0.7159 -0.1583 -0.1583 -0.0574 -0.0574 0.5481 0.5481 1.2775 1.2775 1.3087 1.3087 2.0835 2.0835 2.4718 2.4718 3.3185 3.3185 3.4818 3.4818 3.5968 3.5968 3.7985 3.7985 4.4004 4.4004 4.8153 4.8153 5.5554 5.5554 10.9387 10.9387 12.1631 12.1631 12.3756 12.3756 12.9836 12.9836 13.4194 13.4194 k = 0.0000 0.0000 0.1143 ( 4318 PWs) bands (ev): -13.9297 -13.9297 -13.4354 -13.4354 -10.7530 -10.7530 -9.0246 -9.0246 -8.8879 -8.8879 -8.8497 -8.8497 -3.7152 -3.7152 -3.4261 -3.4261 -2.6403 -2.6403 -0.7053 -0.7053 -0.1439 -0.1439 -0.0640 -0.0640 0.4974 0.4974 1.2351 1.2351 1.3310 1.3310 2.0967 2.0967 2.4639 2.4639 3.3138 3.3138 3.4754 3.4754 3.6438 3.6438 3.8042 3.8042 4.4078 4.4078 4.8034 4.8034 5.5598 5.5598 10.8964 10.8964 12.1642 12.1642 12.3310 12.3310 12.9946 12.9946 13.4545 13.4545 k = 0.0000 0.0000 0.0980 ( 4322 PWs) bands (ev): -13.9341 -13.9341 -13.4323 -13.4323 -10.7615 -10.7615 -9.0288 -9.0288 -8.8625 -8.8625 -8.8515 -8.8515 -3.7023 -3.7023 -3.4013 -3.4013 -2.6873 -2.6873 -0.6950 -0.6950 -0.1302 -0.1302 -0.0697 -0.0697 0.4512 0.4512 1.1967 1.1967 1.3511 1.3511 2.1080 2.1080 2.4562 2.4562 3.3094 3.3094 3.4700 3.4700 3.6855 3.6855 3.8094 3.8094 4.4143 4.4143 4.7930 4.7930 5.5639 5.5639 10.8589 10.8589 12.1647 12.1647 12.2918 12.2918 13.0061 13.0061 13.4846 13.4846 k = 0.0000 0.0000 0.0817 ( 4316 PWs) bands (ev): -13.9379 -13.9379 -13.4296 -13.4296 -10.7687 -10.7687 -9.0324 -9.0324 -8.8535 -8.8535 -8.8401 -8.8401 -3.6912 -3.6912 -3.3796 -3.3796 -2.7275 -2.7275 -0.6853 -0.6853 -0.1173 -0.1173 -0.0746 -0.0746 0.4101 0.4101 1.1628 1.1628 1.3688 1.3688 2.1173 2.1173 2.4491 2.4491 3.3055 3.3055 3.4656 3.4656 3.7215 3.7215 3.8141 3.8141 4.4199 4.4199 4.7841 4.7841 5.5677 5.5677 10.8265 10.8265 12.1650 12.1650 12.2582 12.2582 13.0176 13.0176 13.5096 13.5096 k = 0.0000 0.0000 0.0653 ( 4316 PWs) bands (ev): -13.9410 -13.9410 -13.4275 -13.4275 -10.7746 -10.7746 -9.0354 -9.0354 -8.8548 -8.8548 -8.8219 -8.8219 -3.6819 -3.6819 -3.3614 -3.3614 -2.7607 -2.7607 -0.6768 -0.6768 -0.1056 -0.1056 -0.0786 -0.0786 0.3746 0.3746 1.1341 1.1341 1.3837 1.3837 2.1249 2.1249 2.4429 2.4429 3.3022 3.3022 3.4620 3.4620 3.7512 3.7512 3.8181 3.8181 4.4246 4.4246 4.7768 4.7768 5.5710 5.5710 10.7996 10.7996 12.1650 12.1650 12.2305 12.2305 13.0284 13.0284 13.5296 13.5296 k = 0.0000 0.0000 0.0490 ( 4318 PWs) bands (ev): -13.9434 -13.9434 -13.4258 -13.4258 -10.7792 -10.7792 -9.0377 -9.0377 -8.8558 -8.8558 -8.8075 -8.8075 -3.6746 -3.6746 -3.3468 -3.3468 -2.7867 -2.7867 -0.6698 -0.6698 -0.0955 -0.0955 -0.0818 -0.0818 0.3457 0.3457 1.1112 1.1112 1.3956 1.3956 2.1308 2.1308 2.4377 2.4377 3.2996 3.2996 3.4592 3.4592 3.7744 3.7744 3.8216 3.8216 4.4283 4.4283 4.7710 4.7710 5.5738 5.5738 10.7784 10.7784 12.1648 12.1648 12.2088 12.2088 13.0377 13.0377 13.5447 13.5447 k = 0.0000 0.0000 0.0327 ( 4316 PWs) bands (ev): -13.9451 -13.9451 -13.4246 -13.4246 -10.7825 -10.7825 -9.0394 -9.0394 -8.8566 -8.8566 -8.7972 -8.7972 -3.6693 -3.6693 -3.3363 -3.3363 -2.8054 -2.8054 -0.6645 -0.6645 -0.0877 -0.0877 -0.0839 -0.0839 0.3242 0.3242 1.0944 1.0944 1.4043 1.4043 2.1350 2.1350 2.4339 2.4339 3.2977 3.2977 3.4573 3.4573 3.7907 3.7907 3.8244 3.8244 4.4310 4.4310 4.7669 4.7669 5.5758 5.5758 10.7631 10.7631 12.1647 12.1647 12.1932 12.1932 13.0449 13.0449 13.5552 13.5552 k = 0.0000 0.0000 0.0163 ( 4315 PWs) bands (ev): -13.9462 -13.9462 -13.4239 -13.4239 -10.7844 -10.7844 -9.0404 -9.0404 -8.8571 -8.8571 -8.7909 -8.7909 -3.6662 -3.6662 -3.3299 -3.3299 -2.8166 -2.8166 -0.6612 -0.6612 -0.0856 -0.0856 -0.0823 -0.0823 0.3108 0.3108 1.0842 1.0842 1.4096 1.4096 2.1375 2.1375 2.4315 2.4315 3.2966 3.2966 3.4562 3.4562 3.8002 3.8002 3.8265 3.8265 4.4326 4.4326 4.7644 4.7644 5.5771 5.5771 10.7539 10.7539 12.1646 12.1646 12.1838 12.1838 13.0495 13.0495 13.5614 13.5614 k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.9465 -13.9465 -13.4237 -13.4237 -10.7851 -10.7851 -9.0407 -9.0407 -8.8572 -8.8572 -8.7888 -8.7888 -3.6651 -3.6651 -3.3277 -3.3277 -2.8204 -2.8204 -0.6601 -0.6601 -0.0860 -0.0860 -0.0806 -0.0806 0.3063 0.3063 1.0808 1.0808 1.4113 1.4113 2.1383 2.1383 2.4307 2.4307 3.2962 3.2962 3.4558 3.4558 3.8032 3.8032 3.8273 3.8273 4.4332 4.4332 4.7636 4.7636 5.5775 5.5775 10.7508 10.7508 12.1645 12.1645 12.1806 12.1806 13.0510 13.0510 13.5634 13.5634 k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.9465 -13.9465 -13.4237 -13.4237 -10.7851 -10.7851 -9.0407 -9.0407 -8.8572 -8.8572 -8.7888 -8.7888 -3.6651 -3.6651 -3.3277 -3.3277 -2.8204 -2.8204 -0.6601 -0.6601 -0.0860 -0.0860 -0.0806 -0.0806 0.3063 0.3063 1.0808 1.0808 1.4113 1.4113 2.1383 2.1383 2.4307 2.4307 3.2962 3.2962 3.4558 3.4558 3.8032 3.8032 3.8273 3.8273 4.4332 4.4332 4.7636 4.7636 5.5775 5.5775 10.7508 10.7508 12.1645 12.1645 12.1806 12.1806 13.0510 13.0510 13.5634 13.5634 k =-0.0139 0.0086 0.0000 ( 4321 PWs) bands (ev): -13.9461 -13.9461 -13.4237 -13.4237 -10.7865 -10.7865 -9.0406 -9.0405 -8.8580 -8.8574 -8.7886 -8.7879 -3.6628 -3.6626 -3.3301 -3.3298 -2.8172 -2.8170 -0.6612 -0.6609 -0.0845 -0.0843 -0.0822 -0.0821 0.3052 0.3052 1.0795 1.0796 1.4126 1.4127 2.1398 2.1398 2.4306 2.4307 3.2950 3.2953 3.4530 3.4532 3.8025 3.8026 3.8263 3.8264 4.4335 4.4337 4.7646 4.7647 5.5768 5.5768 10.7542 10.7542 12.1213 12.1222 12.2231 12.2232 13.0510 13.0510 13.5620 13.5623 k =-0.0278 0.0172 0.0000 ( 4313 PWs) bands (ev): -13.9447 -13.9446 -13.4238 -13.4237 -10.7908 -10.7908 -9.0400 -9.0398 -8.8595 -8.8585 -8.7874 -8.7860 -3.6558 -3.6554 -3.3366 -3.3362 -2.8077 -2.8073 -0.6642 -0.6635 -0.0877 -0.0873 -0.0791 -0.0791 0.3019 0.3020 1.0760 1.0762 1.4166 1.4167 2.1442 2.1444 2.4304 2.4307 3.2919 3.2925 3.4449 3.4452 3.8004 3.8006 3.8236 3.8236 4.4346 4.4350 4.7678 4.7680 5.5747 5.5747 10.7641 10.7642 12.0715 12.0728 12.2719 12.2725 13.0510 13.0510 13.5582 13.5587 k =-0.0417 0.0258 0.0000 ( 4311 PWs) bands (ev): -13.9423 -13.9423 -13.4239 -13.4238 -10.7979 -10.7978 -9.0390 -9.0387 -8.8617 -8.8602 -8.7852 -8.7833 -3.6441 -3.6435 -3.3469 -3.3462 -2.7923 -2.7917 -0.6690 -0.6681 -0.0961 -0.0956 -0.0708 -0.0707 0.2965 0.2966 1.0701 1.0704 1.4232 1.4234 2.1516 2.1519 2.4302 2.4306 3.2865 3.2875 3.4317 3.4322 3.7969 3.7972 3.8189 3.8190 4.4366 4.4371 4.7731 4.7734 5.5711 5.5712 10.7807 10.7808 12.0221 12.0239 12.3198 12.3209 13.0509 13.0509 13.5521 13.5528 k =-0.0556 0.0344 0.0000 ( 4325 PWs) bands (ev): -13.9391 -13.9390 -13.4241 -13.4240 -10.8077 -10.8076 -9.0376 -9.0373 -8.8643 -8.8626 -8.7823 -8.7799 -3.6277 -3.6268 -3.3602 -3.3593 -2.7718 -2.7711 -0.6756 -0.6743 -0.1079 -0.1072 -0.0593 -0.0591 0.2890 0.2891 1.0619 1.0624 1.4324 1.4326 2.1619 2.1622 2.4299 2.4305 3.2787 3.2801 3.4137 3.4145 3.7920 3.7924 3.8126 3.8127 4.4393 4.4400 4.7803 4.7806 5.5662 5.5663 10.8037 10.8038 11.9738 11.9761 12.3663 12.3679 13.0508 13.0509 13.5439 13.5448 k =-0.0694 0.0430 0.0000 ( 4327 PWs) bands (ev): -13.9349 -13.9349 -13.4243 -13.4241 -10.8201 -10.8200 -9.0359 -9.0355 -8.8673 -8.8653 -8.7789 -8.7761 -3.6067 -3.6056 -3.3758 -3.3747 -2.7470 -2.7460 -0.6837 -0.6822 -0.1228 -0.1220 -0.0446 -0.0444 0.2794 0.2795 1.0516 1.0521 1.4442 1.4444 2.1749 2.1752 2.4295 2.4303 3.2680 3.2697 3.3918 3.3928 3.7857 3.7862 3.8048 3.8048 4.4429 4.4437 4.7892 4.7896 5.5600 5.5601 10.8330 10.8331 11.9270 11.9297 12.4110 12.4130 13.0507 13.0508 13.5338 13.5349 k =-0.0833 0.0516 0.0000 ( 4327 PWs) bands (ev): -13.9299 -13.9298 -13.4245 -13.4244 -10.8350 -10.8349 -9.0339 -9.0334 -8.8703 -8.8682 -8.7751 -8.7720 -3.5812 -3.5798 -3.3930 -3.3917 -2.7185 -2.7173 -0.6934 -0.6916 -0.1407 -0.1397 -0.0270 -0.0268 0.2678 0.2679 1.0390 1.0396 1.4585 1.4587 2.1905 2.1909 2.4291 2.4300 3.2536 3.2558 3.3668 3.3682 3.7778 3.7784 3.7955 3.7956 4.4472 4.4481 4.7998 4.8001 5.5525 5.5526 10.8683 10.8685 11.8822 11.8853 12.4535 12.4559 13.0507 13.0507 13.5223 13.5235 k =-0.0972 0.0602 0.0000 ( 4323 PWs) bands (ev): -13.9239 -13.9239 -13.4248 -13.4246 -10.8523 -10.8522 -9.0316 -9.0310 -8.8734 -8.8712 -8.7711 -8.7677 -3.5512 -3.5496 -3.4111 -3.4097 -2.6871 -2.6857 -0.7044 -0.7023 -0.1614 -0.1602 -0.0064 -0.0062 0.2543 0.2544 1.0243 1.0250 1.4751 1.4753 2.2085 2.2090 2.4286 2.4297 3.2343 3.2369 3.3404 3.3421 3.7683 3.7688 3.7852 3.7852 4.4522 4.4532 4.8116 4.8120 5.5439 5.5440 10.9095 10.9096 11.8397 11.8432 12.4934 12.4962 13.0507 13.0508 13.5094 13.5107 k =-0.1111 0.0688 0.0000 ( 4327 PWs) bands (ev): -13.9172 -13.9171 -13.4251 -13.4249 -10.8719 -10.8717 -9.0291 -9.0285 -8.8764 -8.8741 -8.7670 -8.7634 -3.5168 -3.5151 -3.4297 -3.4281 -2.6532 -2.6515 -0.7166 -0.7143 -0.1848 -0.1833 0.0168 0.0170 0.2390 0.2390 1.0075 1.0083 1.4941 1.4943 2.2288 2.2293 2.4281 2.4294 3.2088 3.2117 3.3142 3.3161 3.7568 3.7574 3.7740 3.7740 4.4579 4.4589 4.8245 4.8248 5.5342 5.5343 10.9561 10.9563 11.7999 11.8038 12.5304 12.5334 13.0510 13.0510 13.4954 13.4968 k =-0.1250 0.0773 0.0000 ( 4311 PWs) bands (ev): -13.9096 -13.9096 -13.4255 -13.4252 -10.8935 -10.8933 -9.0264 -9.0257 -8.8792 -8.8768 -8.7629 -8.7591 -3.4782 -3.4763 -3.4484 -3.4467 -2.6173 -2.6154 -0.7300 -0.7274 -0.2105 -0.2088 0.0426 0.0428 0.2218 0.2219 0.9886 0.9895 1.5154 1.5156 2.2511 2.2517 2.4276 2.4290 3.1764 3.1792 3.2896 3.2913 3.7435 3.7441 3.7621 3.7623 4.4642 4.4652 4.8382 4.8385 5.5236 5.5237 11.0080 11.0082 11.7632 11.7675 12.5641 12.5673 13.0516 13.0517 13.4806 13.4820 k =-0.1389 0.0859 0.0000 ( 4310 PWs) bands (ev): -13.9013 -13.9012 -13.4259 -13.4256 -10.9169 -10.9168 -9.0236 -9.0229 -8.8818 -8.8794 -8.7590 -8.7550 -3.4668 -3.4650 -3.4355 -3.4334 -2.5798 -2.5777 -0.7443 -0.7415 -0.2385 -0.2364 0.0709 0.0711 0.2031 0.2031 0.9677 0.9686 1.5388 1.5389 2.2753 2.2760 2.4270 2.4285 3.1372 3.1399 3.2666 3.2681 3.7283 3.7288 3.7498 3.7501 4.4709 4.4719 4.8525 4.8527 5.5121 5.5121 11.0647 11.0650 11.7299 11.7344 12.5942 12.5975 13.0528 13.0529 13.4650 13.4664 k =-0.1528 0.0945 0.0000 ( 4314 PWs) bands (ev): -13.8922 -13.8921 -13.4263 -13.4260 -10.9421 -10.9419 -9.0207 -9.0199 -8.8841 -8.8816 -8.7552 -8.7512 -3.4847 -3.4828 -3.3889 -3.3866 -2.5411 -2.5386 -0.7596 -0.7565 -0.2684 -0.2660 0.1015 0.1017 0.1827 0.1827 0.9448 0.9458 1.5642 1.5643 2.3012 2.3019 2.4264 2.4281 3.0924 3.0949 3.2444 3.2456 3.7114 3.7118 3.7368 3.7372 4.4781 4.4791 4.8671 4.8672 5.4998 5.4999 11.1259 11.1262 11.7001 11.7050 12.6203 12.6237 13.0547 13.0549 13.4488 13.4501 k =-0.1667 0.1031 0.0000 ( 4314 PWs) bands (ev): -13.8824 -13.8824 -13.4268 -13.4264 -10.9687 -10.9685 -9.0177 -9.0169 -8.8860 -8.8835 -8.7517 -8.7475 -3.5019 -3.4999 -3.3385 -3.3359 -2.5013 -2.4986 -0.7757 -0.7723 -0.2999 -0.2973 0.1343 0.1345 0.1610 0.1611 0.9199 0.9210 1.5916 1.5916 2.3285 2.3292 2.4258 2.4277 3.0432 3.0454 3.2223 3.2231 3.6928 3.6933 3.7233 3.7238 4.4856 4.4865 4.8819 4.8819 5.4870 5.4871 11.1913 11.1917 11.6743 11.6793 12.6421 12.6456 13.0575 13.0579 13.4320 13.4333 k =-0.1806 0.1117 0.0000 ( 4318 PWs) bands (ev): -13.8720 -13.8720 -13.4272 -13.4269 -10.9966 -10.9964 -9.0148 -9.0140 -8.8876 -8.8851 -8.7485 -8.7442 -3.5182 -3.5161 -3.2845 -3.2817 -2.4607 -2.4577 -0.7926 -0.7889 -0.3329 -0.3299 0.1376 0.1377 0.1696 0.1697 0.8931 0.8941 1.6206 1.6207 2.3570 2.3577 2.4253 2.4273 2.9908 2.9928 3.1995 3.1999 3.6728 3.6733 3.7091 3.7097 4.4933 4.4942 4.8966 4.8966 5.4737 5.4738 11.2604 11.2608 11.6524 11.6577 12.6595 12.6629 13.0615 13.0620 13.4147 13.4159 k =-0.1944 0.1203 0.0000 ( 4314 PWs) bands (ev): -13.8611 -13.8610 -13.4277 -13.4274 -11.0255 -11.0253 -9.0119 -9.0111 -8.8888 -8.8863 -8.7456 -8.7413 -3.5336 -3.5315 -3.2269 -3.2240 -2.4195 -2.4163 -0.8102 -0.8063 -0.3670 -0.3637 0.1133 0.1135 0.2065 0.2066 0.8643 0.8654 1.6513 1.6515 2.3864 2.3871 2.4250 2.4271 2.9360 2.9379 3.1756 3.1758 3.6515 3.6520 3.6944 3.6951 4.5010 4.5019 4.9109 4.9111 5.4600 5.4601 11.3329 11.3334 11.6348 11.6403 12.6723 12.6755 13.0667 13.0674 13.3969 13.3980 k =-0.2083 0.1289 0.0000 ( 4314 PWs) bands (ev): -13.8496 -13.8495 -13.4282 -13.4278 -11.0553 -11.0551 -9.0091 -9.0082 -8.8896 -8.8870 -8.7432 -8.7387 -3.5480 -3.5458 -3.1661 -3.1630 -2.3779 -2.3744 -0.8285 -0.8243 -0.4020 -0.3984 0.0878 0.0881 0.2453 0.2455 0.8335 0.8347 1.6836 1.6838 2.4161 2.4164 2.4256 2.4274 2.8797 2.8814 3.1505 3.1506 3.6289 3.6294 3.6790 3.6798 4.5088 4.5096 4.9250 4.9252 5.4462 5.4463 11.4084 11.4089 11.6216 11.6272 12.6806 12.6836 13.0731 13.0739 13.3787 13.3797 k =-0.2222 0.1375 0.0000 ( 4298 PWs) bands (ev): -13.8376 -13.8375 -13.4287 -13.4283 -11.0857 -11.0855 -9.0063 -9.0055 -8.8899 -8.8873 -8.7411 -8.7366 -3.5613 -3.5591 -3.1023 -3.0989 -2.3361 -2.3324 -0.8475 -0.8431 -0.4377 -0.4337 0.0614 0.0618 0.2859 0.2860 0.8009 0.8021 1.7171 1.7175 2.4239 2.4265 2.4476 2.4486 2.8225 2.8241 3.1240 3.1243 3.6050 3.6056 3.6632 3.6640 4.5166 4.5173 4.9385 4.9388 5.4323 5.4324 11.4865 11.4870 11.6127 11.6184 12.6846 12.6873 13.0805 13.0814 13.3600 13.3609 k =-0.2361 0.1461 0.0000 ( 4298 PWs) bands (ev): -13.8253 -13.8252 -13.4292 -13.4288 -11.1165 -11.1163 -9.0037 -9.0028 -8.8899 -8.8873 -8.7395 -8.7349 -3.5735 -3.5713 -3.0355 -3.0320 -2.2943 -2.2903 -0.8672 -0.8625 -0.4737 -0.4693 0.0342 0.0346 0.3280 0.3281 0.7664 0.7676 1.7518 1.7524 2.4242 2.4271 2.4779 2.4790 2.7650 2.7666 3.0964 3.0970 3.5799 3.5805 3.6468 3.6476 4.5241 4.5247 4.9514 4.9518 5.4185 5.4186 11.5668 11.5674 11.6082 11.6140 12.6845 12.6870 13.0886 13.0896 13.3408 13.3417 k =-0.2500 0.1547 0.0000 ( 4290 PWs) bands (ev): -13.8126 -13.8125 -13.4297 -13.4294 -11.1475 -11.1473 -9.0012 -9.0003 -8.8894 -8.8867 -8.7383 -8.7337 -3.5846 -3.5823 -2.9661 -2.9624 -2.2526 -2.2483 -0.8877 -0.8827 -0.5098 -0.5050 0.0063 0.0069 0.3715 0.3716 0.7302 0.7314 1.7875 1.7883 2.4248 2.4278 2.5079 2.5091 2.7078 2.7093 3.0682 3.0690 3.5536 3.5543 3.6300 3.6308 4.5313 4.5319 4.9637 4.9642 5.4048 5.4050 11.6081 11.6140 11.6489 11.6495 12.6806 12.6829 13.0971 13.0982 13.3213 13.3221 k =-0.2639 0.1633 0.0000 ( 4296 PWs) bands (ev): -13.7998 -13.7997 -13.4302 -13.4299 -11.1784 -11.1783 -8.9988 -8.9980 -8.8885 -8.8858 -8.7375 -8.7330 -3.5945 -3.5923 -2.8943 -2.8903 -2.2112 -2.2067 -0.9089 -0.9037 -0.5456 -0.5405 -0.0221 -0.0214 0.4160 0.4161 0.6925 0.6938 1.8239 1.8249 2.4258 2.4291 2.5366 2.5381 2.6514 2.6530 3.0396 3.0407 3.5262 3.5270 3.6127 3.6136 4.5382 4.5387 4.9752 4.9758 5.3915 5.3916 11.6124 11.6183 11.7324 11.7331 12.6735 12.6755 13.1056 13.1067 13.3016 13.3022 k =-0.2778 0.1719 0.0000 ( 4290 PWs) bands (ev): -13.7868 -13.7867 -13.4308 -13.4304 -11.2091 -11.2090 -8.9966 -8.9958 -8.8871 -8.8844 -8.7373 -8.7327 -3.6034 -3.6012 -2.8202 -2.8161 -2.1702 -2.1655 -0.9311 -0.9256 -0.5811 -0.5756 -0.0508 -0.0501 0.4611 0.4612 0.6538 0.6551 1.8609 1.8620 2.4274 2.4309 2.5617 2.5642 2.5973 2.5998 3.0117 3.0129 3.4977 3.4986 3.5950 3.5959 4.5447 4.5451 4.9860 4.9866 5.3786 5.3787 11.6209 11.6268 11.8169 11.8176 12.6633 12.6651 13.1138 13.1149 13.2816 13.2821 k =-0.2917 0.1805 0.0000 ( 4304 PWs) bands (ev): -13.7737 -13.7737 -13.4313 -13.4309 -11.2394 -11.2393 -8.9946 -8.9938 -8.8854 -8.8827 -8.7374 -8.7329 -3.6112 -3.6091 -2.7441 -2.7398 -2.1300 -2.1250 -0.9542 -0.9485 -0.6158 -0.6100 -0.0797 -0.0789 0.5048 0.5050 0.6159 0.6173 1.8979 1.8993 2.4298 2.4336 2.5403 2.5405 2.5917 2.5917 2.9854 2.9869 3.4681 3.4690 3.5768 3.5777 4.5507 4.5511 4.9960 4.9966 5.3661 5.3662 11.6335 11.6393 11.9019 11.9027 12.6505 12.6521 13.1214 13.1224 13.2615 13.2620 k =-0.3056 0.1891 0.0000 ( 4292 PWs) bands (ev): -13.7608 -13.7607 -13.4317 -13.4314 -11.2690 -11.2689 -8.9927 -8.9920 -8.8833 -8.8806 -8.7381 -8.7335 -3.6180 -3.6159 -2.6664 -2.6618 -2.0905 -2.0854 -0.9785 -0.9725 -0.6495 -0.6434 -0.1086 -0.1077 0.5344 0.5350 0.5918 0.5927 1.9348 1.9365 2.4332 2.4373 2.4893 2.4897 2.6101 2.6109 2.9627 2.9644 3.4375 3.4385 3.5583 3.5592 4.5562 4.5565 5.0052 5.0059 5.3542 5.3543 11.6500 11.6557 11.9872 11.9880 12.6353 12.6366 13.1282 13.1290 13.2416 13.2420 k =-0.3194 0.1977 0.0000 ( 4290 PWs) bands (ev): -13.7480 -13.7480 -13.4322 -13.4319 -11.2977 -11.2976 -8.9910 -8.9903 -8.8808 -8.8781 -8.7391 -8.7346 -3.6238 -3.6219 -2.5871 -2.5824 -2.0521 -2.0469 -1.0040 -0.9978 -0.6821 -0.6757 -0.1373 -0.1363 0.5132 0.5145 0.6179 0.6182 1.9712 1.9730 2.4372 2.4399 2.4404 2.4425 2.6231 2.6241 2.9456 2.9475 3.4059 3.4071 3.5393 3.5402 4.5612 4.5615 5.0137 5.0144 5.3429 5.3430 11.6702 11.6758 12.0722 12.0731 12.6178 12.6189 13.1341 13.1347 13.2220 13.2224 k =-0.3333 0.2063 0.0000 ( 4296 PWs) bands (ev): -13.7356 -13.7355 -13.4327 -13.4324 -11.3253 -11.3252 -8.9894 -8.9887 -8.8780 -8.8753 -8.7406 -8.7361 -3.6288 -3.6269 -2.5067 -2.5018 -2.0150 -2.0096 -1.0311 -1.0247 -0.7131 -0.7065 -0.1656 -0.1645 0.4733 0.4747 0.6625 0.6627 2.0064 2.0086 2.3925 2.3930 2.4442 2.4487 2.6277 2.6287 2.9365 2.9384 3.3735 3.3747 3.5199 3.5208 4.5656 4.5659 5.0214 5.0221 5.3324 5.3325 11.6938 11.6993 12.1564 12.1573 12.5982 12.5991 13.1388 13.1392 13.2031 13.2036 k =-0.3472 0.2149 0.0000 ( 4292 PWs) bands (ev): -13.7235 -13.7234 -13.4331 -13.4328 -11.3516 -11.3515 -8.9880 -8.9874 -8.8749 -8.8722 -8.7424 -8.7380 -3.6329 -3.6311 -2.4254 -2.4203 -1.9794 -1.9739 -1.0600 -1.0533 -0.7425 -0.7358 -0.1932 -0.1920 0.4307 0.4322 0.7096 0.7097 2.0402 2.0425 2.3479 2.3483 2.4523 2.4571 2.6228 2.6237 2.9367 2.9385 3.3403 3.3417 3.5000 3.5010 4.5696 4.5698 5.0284 5.0290 5.3225 5.3226 11.7206 11.7260 12.2393 12.2403 12.5766 12.5773 13.1423 13.1424 13.1853 13.1859 k =-0.3611 0.2234 0.0000 ( 4296 PWs) bands (ev): -13.7119 -13.7119 -13.4335 -13.4332 -11.3764 -11.3763 -8.9867 -8.9862 -8.8716 -8.8689 -8.7445 -8.7403 -3.6363 -3.6347 -2.3435 -2.3382 -1.9454 -1.9400 -1.0909 -1.0840 -0.7700 -0.7631 -0.2199 -0.2186 0.3880 0.3895 0.7567 0.7568 2.0718 2.0743 2.3061 2.3065 2.4627 2.4676 2.6091 2.6098 2.9457 2.9474 3.3066 3.3080 3.4798 3.4807 4.5730 4.5732 5.0346 5.0353 5.3135 5.3135 11.7502 11.7554 12.3203 12.3214 12.5531 12.5536 13.1434 13.1441 13.1695 13.1706 k =-0.3750 0.2320 0.0000 ( 4290 PWs) bands (ev): -13.7010 -13.7010 -13.4339 -13.4336 -11.3995 -11.3994 -8.9856 -8.9851 -8.8681 -8.8654 -8.7469 -8.7428 -3.6391 -3.6375 -2.2614 -2.2558 -1.9135 -1.9082 -1.1241 -1.1170 -0.7953 -0.7885 -0.2454 -0.2441 0.3461 0.3476 0.8031 0.8032 2.1007 2.1034 2.2672 2.2675 2.4756 2.4807 2.5888 2.5894 2.9617 2.9633 3.2725 3.2740 3.4591 3.4600 4.5759 4.5760 5.0402 5.0408 5.3052 5.3053 11.7822 11.7872 12.3988 12.3999 12.5278 12.5280 13.1401 13.1416 13.1587 13.1604 k =-0.3889 0.2406 0.0000 ( 4284 PWs) bands (ev): -13.6909 -13.6908 -13.4342 -13.4340 -11.4207 -11.4207 -8.9846 -8.9842 -8.8645 -8.8618 -8.7495 -8.7456 -3.6412 -3.6398 -2.1793 -2.1735 -1.8838 -1.8786 -1.1599 -1.1526 -0.8183 -0.8117 -0.2694 -0.2681 0.3059 0.3073 0.8481 0.8482 2.1264 2.1292 2.2314 2.2316 2.4911 2.4963 2.5646 2.5650 2.9825 2.9839 3.2383 3.2399 3.4380 3.4389 4.5783 4.5785 5.0451 5.0457 5.2978 5.2979 11.8163 11.8210 12.4739 12.4751 12.5007 12.5009 13.1313 13.1327 13.1556 13.1570 k =-0.4028 0.2492 0.0000 ( 4286 PWs) bands (ev): -13.6816 -13.6815 -13.4345 -13.4343 -11.4399 -11.4399 -8.9838 -8.9834 -8.8608 -8.8582 -8.7522 -8.7486 -3.6429 -3.6417 -2.0976 -2.0917 -1.8566 -1.8517 -1.1987 -1.1913 -0.8388 -0.8325 -0.2916 -0.2903 0.2681 0.2695 0.8908 0.8909 2.1487 2.1514 2.1986 2.1988 2.5092 2.5143 2.5388 2.5391 3.0062 3.0075 3.2044 3.2061 3.4166 3.4175 4.5804 4.5805 5.0494 5.0499 5.2912 5.2913 11.8518 11.8563 12.4719 12.4721 12.5450 12.5460 13.1215 13.1226 13.1555 13.1565 k =-0.4167 0.2578 0.0000 ( 4286 PWs) bands (ev): -13.6733 -13.6732 -13.4348 -13.4346 -11.4570 -11.4569 -8.9831 -8.9827 -8.8571 -8.8547 -8.7549 -8.7516 -3.6442 -3.6431 -2.0168 -2.0106 -1.8323 -1.8277 -1.2407 -1.2332 -0.8567 -0.8509 -0.3118 -0.3105 0.2335 0.2348 0.9307 0.9308 2.1663 2.1689 2.1702 2.1704 2.5130 2.5132 2.5300 2.5344 3.0314 3.0325 3.1714 3.1731 3.3950 3.3959 4.5820 4.5821 5.0531 5.0535 5.2855 5.2855 11.8884 11.8925 12.4419 12.4424 12.6103 12.6114 13.1135 13.1144 13.1558 13.1565 k =-0.4306 0.2664 0.0000 ( 4294 PWs) bands (ev): -13.6661 -13.6660 -13.4350 -13.4349 -11.4716 -11.4716 -8.9825 -8.9822 -8.8536 -8.8514 -8.7576 -8.7546 -3.6451 -3.6442 -1.9371 -1.9307 -1.8110 -1.8069 -1.2863 -1.2787 -0.8719 -0.8667 -0.3295 -0.3283 0.2028 0.2039 0.9667 0.9668 2.1432 2.1432 2.1827 2.1848 2.4891 2.4892 2.5515 2.5557 3.0570 3.0580 3.1399 3.1416 3.3735 3.3743 4.5833 4.5834 5.0562 5.0566 5.2806 5.2807 11.9251 11.9289 12.4113 12.4119 12.6688 12.6698 13.1084 13.1092 13.1561 13.1566 k =-0.4444 0.2750 0.0000 ( 4298 PWs) bands (ev): -13.6600 -13.6600 -13.4352 -13.4351 -11.4838 -11.4838 -8.9820 -8.9817 -8.8504 -8.8485 -8.7600 -8.7574 -3.6457 -3.6450 -1.8591 -1.8525 -1.7930 -1.7896 -1.3355 -1.3279 -0.8843 -0.8798 -0.3444 -0.3435 0.1767 0.1777 0.9981 0.9982 2.1211 2.1211 2.1944 2.1963 2.4680 2.4681 2.5732 2.5769 3.0819 3.0829 3.1109 3.1126 3.3524 3.3532 4.5843 4.5844 5.0587 5.0590 5.2767 5.2767 11.9609 11.9643 12.3807 12.3815 12.7187 12.7196 13.1068 13.1075 13.1564 13.1567 k =-0.4583 0.2836 0.0000 ( 4302 PWs) bands (ev): -13.6553 -13.6552 -13.4353 -13.4353 -11.4934 -11.4934 -8.9816 -8.9814 -8.8475 -8.8460 -8.7620 -8.7600 -3.6461 -3.6455 -1.7830 -1.7787 -1.7761 -1.7760 -1.3886 -1.3809 -0.8937 -0.8902 -0.3564 -0.3556 0.1558 0.1565 1.0238 1.0239 2.1031 2.1032 2.2032 2.2047 2.4507 2.4508 2.5935 2.5965 3.0856 3.0867 3.1056 3.1062 3.3326 3.3333 4.5851 4.5851 5.0606 5.0609 5.2736 5.2736 11.9945 11.9973 12.3516 12.3525 12.7586 12.7594 13.1084 13.1089 13.1566 13.1568 k =-0.4722 0.2922 0.0000 ( 4304 PWs) bands (ev): -13.6518 -13.6518 -13.4354 -13.4354 -11.5003 -11.5003 -8.9813 -8.9812 -8.8453 -8.8442 -8.7635 -8.7620 -3.6463 -3.6460 -1.7681 -1.7662 -1.7093 -1.7023 -1.4455 -1.4379 -0.9003 -0.8979 -0.3651 -0.3645 0.1405 0.1410 1.0430 1.0430 2.0899 2.0899 2.2093 2.2103 2.4378 2.4379 2.6104 2.6125 3.0658 3.0667 3.1254 3.1260 3.3153 3.3158 4.5856 4.5856 5.0620 5.0622 5.2714 5.2714 12.0234 12.0255 12.3262 12.3270 12.7874 12.7879 13.1120 13.1124 13.1567 13.1569 k =-0.4861 0.3008 0.0000 ( 4308 PWs) bands (ev): -13.6497 -13.6497 -13.4355 -13.4355 -11.5045 -11.5045 -8.9811 -8.9811 -8.8437 -8.8432 -8.7642 -8.7635 -3.6464 -3.6462 -1.7615 -1.7605 -1.6384 -1.6312 -1.5062 -1.4987 -0.9040 -0.9028 -0.3703 -0.3700 0.1312 0.1315 1.0548 1.0549 2.0818 2.0818 2.2130 2.2135 2.4299 2.4300 2.6219 2.6230 3.0531 3.0536 3.1396 3.1400 3.3029 3.3032 4.5859 4.5859 5.0629 5.0630 5.2700 5.2701 12.0440 12.0451 12.3081 12.3087 12.8046 12.8049 13.1157 13.1159 13.1568 13.1569 k =-0.5000 0.3094 0.0000 ( 4302 PWs) bands (ev): -13.6490 -13.6490 -13.4355 -13.4355 -11.5059 -11.5059 -8.9810 -8.9810 -8.8430 -8.8430 -8.7643 -8.7643 -3.6464 -3.6464 -1.7589 -1.7589 -1.5710 -1.5710 -1.5628 -1.5628 -0.9049 -0.9049 -0.3720 -0.3720 0.1282 0.1282 1.0589 1.0589 2.0790 2.0790 2.2144 2.2144 2.4273 2.4273 2.6263 2.6263 3.0488 3.0488 3.1450 3.1450 3.2983 3.2983 4.5860 4.5860 5.0632 5.0632 5.2696 5.2696 12.0520 12.0520 12.3016 12.3016 12.8104 12.8104 13.1174 13.1174 13.1569 13.1569 k =-0.5000 0.3094 0.0000 ( 4302 PWs) bands (ev): -13.6490 -13.6490 -13.4355 -13.4355 -11.5059 -11.5059 -8.9810 -8.9810 -8.8430 -8.8430 -8.7643 -8.7643 -3.6464 -3.6464 -1.7589 -1.7589 -1.5710 -1.5710 -1.5628 -1.5628 -0.9049 -0.9049 -0.3720 -0.3720 0.1282 0.1282 1.0589 1.0589 2.0790 2.0790 2.2144 2.2144 2.4273 2.4273 2.6263 2.6263 3.0488 3.0488 3.1450 3.1450 3.2983 3.2983 4.5860 4.5860 5.0632 5.0632 5.2696 5.2696 12.0520 12.0520 12.3016 12.3016 12.8104 12.8104 13.1174 13.1174 13.1569 13.1569 k =-0.4914 0.3232-0.0000 ( 4306 PWs) bands (ev): -13.6491 -13.6491 -13.4356 -13.4356 -11.5049 -11.5049 -8.9904 -8.9885 -8.8426 -8.8423 -8.7586 -8.7562 -3.6461 -3.6460 -1.7640 -1.7634 -1.5674 -1.5673 -1.5582 -1.5581 -0.9059 -0.9056 -0.3823 -0.3792 0.1344 0.1377 1.0582 1.0586 2.0761 2.0775 2.2145 2.2181 2.4275 2.4300 2.6242 2.6251 3.0498 3.0499 3.1431 3.1441 3.2983 3.2983 4.5868 4.5872 5.0597 5.0605 5.2684 5.2692 12.0532 12.0532 12.3026 12.3026 12.8140 12.8151 13.0796 13.0942 13.1829 13.1982 k =-0.4829 0.3371-0.0000 ( 4308 PWs) bands (ev): -13.6495 -13.6495 -13.4357 -13.4357 -11.5020 -11.5020 -9.0137 -9.0105 -8.8411 -8.8404 -8.7415 -8.7374 -3.6452 -3.6451 -1.7760 -1.7749 -1.5678 -1.5677 -1.5352 -1.5348 -0.9086 -0.9081 -0.4084 -0.4028 0.1551 0.1612 1.0567 1.0575 2.0696 2.0720 2.2183 2.2250 2.4310 2.4358 2.6188 2.6205 3.0528 3.0530 3.1383 3.1403 3.2981 3.2981 4.5896 4.5904 5.0501 5.0516 5.2655 5.2671 12.0568 12.0570 12.3055 12.3057 12.8260 12.8283 13.0375 13.0522 13.2338 13.2500 k =-0.4743 0.3509-0.0000 ( 4296 PWs) bands (ev): -13.6501 -13.6501 -13.4360 -13.4360 -11.4972 -11.4972 -9.0461 -9.0423 -8.8384 -8.8375 -8.7177 -8.7126 -3.6438 -3.6436 -1.7907 -1.7892 -1.5705 -1.5704 -1.4999 -1.4992 -0.9131 -0.9124 -0.4466 -0.4393 0.1869 0.1950 1.0543 1.0554 2.0606 2.0635 2.2246 2.2337 2.4377 2.4446 2.6101 2.6127 3.0579 3.0581 3.1307 3.1336 3.2979 3.2979 4.5944 4.5956 5.0346 5.0368 5.2609 5.2631 12.0627 12.0630 12.3105 12.3107 12.8462 12.8496 12.9982 13.0123 13.2889 13.3054 k =-0.4657 0.3648-0.0000 ( 4300 PWs) bands (ev): -13.6510 -13.6510 -13.4363 -13.4363 -11.4905 -11.4905 -9.0841 -9.0800 -8.8347 -8.8334 -8.6911 -8.6852 -3.6418 -3.6415 -1.8050 -1.8030 -1.5746 -1.5745 -1.4566 -1.4555 -0.9193 -0.9183 -0.4935 -0.4851 0.2262 0.2357 1.0509 1.0523 2.0503 2.0534 2.2320 2.2426 2.4480 2.4564 2.5980 2.6014 3.0650 3.0654 3.1203 3.1242 3.2976 3.2976 4.6012 4.6028 5.0138 5.0165 5.2544 5.2571 12.0708 12.0713 12.3174 12.3176 12.8739 12.8790 12.9630 12.9755 13.3471 13.3636 k =-0.4571 0.3786-0.0000 ( 4302 PWs) bands (ev): -13.6521 -13.6521 -13.4367 -13.4367 -11.4819 -11.4818 -9.1256 -9.1215 -8.8298 -8.8283 -8.6637 -8.6573 -3.6393 -3.6389 -1.8170 -1.8146 -1.5798 -1.5797 -1.4073 -1.4057 -0.9271 -0.9259 -0.5464 -0.5371 0.2700 0.2804 1.0464 1.0483 2.0396 2.0426 2.2396 2.2509 2.4618 2.4713 2.5825 2.5867 3.0741 3.0747 3.1074 3.1122 3.2972 3.2973 4.6099 4.6119 4.9881 4.9911 5.2459 5.2490 12.0806 12.0816 12.3262 12.3265 12.9046 12.9160 12.9363 12.9425 13.4080 13.4244 k =-0.4486 0.3925-0.0000 ( 4302 PWs) bands (ev): -13.6536 -13.6535 -13.4372 -13.4372 -11.4714 -11.4713 -9.1696 -9.1655 -8.8239 -8.8221 -8.6367 -8.6300 -3.6362 -3.6358 -1.8258 -1.8230 -1.5863 -1.5861 -1.3530 -1.3511 -0.9364 -0.9350 -0.6032 -0.5935 0.3164 0.3275 1.0408 1.0430 2.0292 2.0320 2.2466 2.2580 2.4791 2.4891 2.5635 2.5686 3.0853 3.0860 3.0919 3.0977 3.2969 3.2970 4.6204 4.6228 4.9580 4.9613 5.2352 5.2386 12.0921 12.0936 12.3368 12.3372 12.8970 12.9127 12.9596 12.9611 13.4712 13.4874 k =-0.4400 0.4063-0.0000 ( 4298 PWs) bands (ev): -13.6553 -13.6552 -13.4378 -13.4378 -11.4589 -11.4589 -9.2154 -9.2113 -8.8169 -8.8148 -8.6109 -8.6038 -3.6328 -3.6323 -1.8308 -1.8277 -1.5938 -1.5937 -1.2945 -1.2922 -0.9472 -0.9455 -0.6627 -0.6528 0.3640 0.3756 1.0341 1.0366 2.0195 2.0221 2.2527 2.2637 2.4994 2.5095 2.5411 2.5470 3.0741 3.0807 3.0986 3.0997 3.2966 3.2968 4.6328 4.6356 4.9240 4.9275 5.2225 5.2261 12.1046 12.1069 12.3493 12.3497 12.8748 12.8878 13.0089 13.0126 13.5366 13.5526 k =-0.4314 0.4202-0.0000 ( 4308 PWs) bands (ev): -13.6572 -13.6572 -13.4384 -13.4384 -11.4446 -11.4445 -9.2624 -9.2584 -8.8089 -8.8066 -8.5866 -8.5793 -3.6289 -3.6284 -1.8319 -1.8283 -1.6025 -1.6024 -1.2323 -1.2295 -0.9593 -0.9573 -0.7241 -0.7140 0.4119 0.4239 1.0260 1.0288 2.0110 2.0133 2.2578 2.2680 2.5150 2.5190 2.5251 2.5321 3.0542 3.0617 3.1138 3.1153 3.2965 3.2967 4.6469 4.6501 4.8865 4.8902 5.2077 5.2114 12.1179 12.1211 12.3635 12.3640 12.8563 12.8674 13.0661 13.0708 13.6039 13.6195 k =-0.4229 0.4341-0.0000 ( 4294 PWs) bands (ev): -13.6595 -13.6595 -13.4391 -13.4391 -11.4284 -11.4283 -9.3103 -9.3065 -8.7999 -8.7973 -8.5641 -8.5566 -3.6248 -3.6242 -1.8287 -1.8249 -1.6123 -1.6121 -1.1667 -1.1636 -0.9726 -0.9704 -0.7866 -0.7765 0.4597 0.4719 1.0165 1.0196 2.0038 2.0058 2.2619 2.2711 2.4853 2.4923 2.5480 2.5566 3.0324 3.0407 3.1312 3.1331 3.2966 3.2970 4.6628 4.6662 4.8461 4.8498 5.1909 5.1948 12.1314 12.1356 12.3794 12.3799 12.8426 12.8521 13.1298 13.1351 13.6398 13.6422 k =-0.4143 0.4479-0.0000 ( 4300 PWs) bands (ev): -13.6621 -13.6620 -13.4397 -13.4397 -11.4103 -11.4102 -9.3589 -9.3553 -8.7899 -8.7870 -8.5436 -8.5359 -3.6204 -3.6197 -1.8214 -1.8172 -1.6232 -1.6230 -1.0982 -1.0946 -0.9870 -0.9845 -0.8496 -0.8396 0.5067 0.5192 1.0054 1.0088 1.9981 1.9999 2.2653 2.2734 2.4520 2.4597 2.5746 2.5824 3.0089 3.0180 3.1504 3.1531 3.2970 3.2977 4.6801 4.6839 4.8032 4.8070 5.1724 5.1762 12.1445 12.1500 12.3968 12.3974 12.8346 12.8422 13.1991 13.2050 13.6061 13.6091 k =-0.4057 0.4618-0.0000 ( 4300 PWs) bands (ev): -13.6650 -13.6649 -13.4404 -13.4404 -11.3903 -11.3902 -9.4079 -9.4045 -8.7790 -8.7758 -8.5252 -8.5173 -3.6158 -3.6152 -1.8100 -1.8055 -1.6352 -1.6349 -1.0275 -1.0231 -1.0022 -0.9995 -0.9124 -0.9027 0.5529 0.5654 0.9927 0.9964 1.9943 1.9958 2.2681 2.2750 2.4150 2.4232 2.6024 2.6091 2.9840 2.9938 3.1716 3.1752 3.2978 3.2990 4.6990 4.7032 4.7582 4.7620 5.1522 5.1560 12.1568 12.1636 12.4156 12.4163 12.8325 12.8384 13.2736 13.2798 13.5570 13.5600 k =-0.3971 0.4756-0.0000 ( 4296 PWs) bands (ev): -13.6682 -13.6682 -13.4411 -13.4411 -11.3685 -11.3684 -9.4573 -9.4540 -8.7672 -8.7637 -8.5089 -8.5009 -3.6113 -3.6105 -1.7946 -1.7899 -1.6482 -1.6479 -1.0186 -1.0153 -0.9821 -0.9714 -0.9467 -0.9433 0.5979 0.6105 0.9782 0.9821 1.9923 1.9937 2.2703 2.2761 2.3742 2.3830 2.6306 2.6363 2.9578 2.9683 3.1945 3.1994 3.2993 3.3013 4.7116 4.7145 4.7201 4.7238 5.1306 5.1344 12.1677 12.1759 12.4357 12.4365 12.8369 12.8410 13.3525 13.3591 13.5017 13.5046 k =-0.3886 0.4895-0.0000 ( 4298 PWs) bands (ev): -13.6718 -13.6717 -13.4418 -13.4418 -11.3449 -11.3447 -9.5067 -9.5036 -8.7545 -8.7507 -8.4949 -8.4866 -3.6067 -3.6059 -1.7755 -1.7706 -1.6623 -1.6619 -1.0423 -1.0338 -1.0317 -1.0305 -0.8745 -0.8703 0.6416 0.6543 0.9619 0.9660 1.9924 1.9936 2.2723 2.2770 2.3299 2.3390 2.6589 2.6634 2.9307 2.9418 3.2185 3.2255 3.3017 3.3053 4.6636 4.6672 4.7410 4.7456 5.1077 5.1114 12.1769 12.1864 12.4570 12.4578 12.8480 12.8503 13.4349 13.4404 13.4453 13.4470 k =-0.3800 0.5033-0.0000 ( 4298 PWs) bands (ev): -13.6757 -13.6757 -13.4424 -13.4424 -11.3194 -11.3192 -9.5562 -9.5532 -8.7410 -8.7369 -8.4829 -8.4746 -3.6023 -3.6015 -1.7531 -1.7480 -1.6773 -1.6770 -1.1028 -1.0922 -1.0518 -1.0483 -0.7965 -0.7918 0.6840 0.6968 0.9436 0.9479 1.9946 1.9957 2.2736 2.2777 2.2823 2.2914 2.6868 2.6901 2.9028 2.9144 3.2426 3.2529 3.3059 3.3122 4.6148 4.6182 4.7637 4.7686 5.0838 5.0875 12.1841 12.1948 12.4793 12.4801 12.8658 12.8665 13.3839 13.3867 13.5215 13.5285 k =-0.3714 0.5172-0.0000 ( 4300 PWs) bands (ev): -13.6800 -13.6799 -13.4430 -13.4430 -11.2921 -11.2919 -9.6055 -9.6027 -8.7267 -8.7224 -8.4732 -8.4648 -3.5982 -3.5974 -1.7280 -1.7227 -1.6934 -1.6930 -1.1630 -1.1524 -1.0691 -1.0652 -0.7164 -0.7113 0.7251 0.7379 0.9233 0.9278 1.9991 2.0001 2.2302 2.2401 2.2761 2.2786 2.7140 2.7160 2.8743 2.8863 3.2642 3.2791 3.3144 3.3245 4.5652 4.5686 4.7876 4.7927 5.0592 5.0627 12.1894 12.2012 12.5023 12.5032 12.8894 12.8903 13.3232 13.3259 13.6102 13.6174 k =-0.3629 0.5310-0.0000 ( 4298 PWs) bands (ev): -13.6846 -13.6845 -13.4435 -13.4435 -11.2630 -11.2628 -9.6545 -9.6518 -8.7118 -8.7071 -8.4655 -8.4570 -3.5945 -3.5936 -1.7112 -1.7101 -1.7005 -1.6958 -1.2207 -1.2100 -1.0863 -1.0821 -0.6347 -0.6292 0.7649 0.7777 0.9010 0.9056 2.0059 2.0069 2.1753 2.1854 2.2779 2.2795 2.7400 2.7408 2.8453 2.8577 3.2807 3.2970 3.3343 3.3452 4.5154 4.5186 4.8124 4.8177 5.0338 5.0372 12.1928 12.2055 12.5258 12.5267 12.9189 12.9211 13.2616 13.2642 13.7009 13.7084 k =-0.3543 0.5449-0.0000 ( 4302 PWs) bands (ev): -13.6896 -13.6895 -13.4439 -13.4439 -11.2321 -11.2319 -9.7032 -9.7006 -8.6962 -8.6913 -8.4600 -8.4514 -3.5913 -3.5904 -1.7289 -1.7282 -1.6740 -1.6690 -1.2742 -1.2634 -1.1032 -1.0987 -0.5517 -0.5458 0.8033 0.8161 0.8767 0.8814 2.0151 2.0161 2.1173 2.1274 2.2800 2.2808 2.7642 2.7646 2.8161 2.8288 3.2924 3.3068 3.3656 3.3738 4.4654 4.4685 4.8380 4.8436 5.0081 5.0113 12.1946 12.2079 12.5495 12.5505 12.9544 12.9577 13.1996 13.2020 13.7781 13.7782 k =-0.3457 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6949 -13.6948 -13.4443 -13.4443 -11.1995 -11.1992 -9.7513 -9.7490 -8.6800 -8.6748 -8.4564 -8.4478 -3.5888 -3.5878 -1.7482 -1.7474 -1.6504 -1.6455 -1.3204 -1.3094 -1.1196 -1.1147 -0.4676 -0.4613 0.8404 0.8492 0.8545 0.8553 2.0267 2.0278 2.0562 2.0665 2.2823 2.2824 2.7854 2.7859 2.7888 2.7996 3.3020 3.3148 3.4021 3.4080 4.4156 4.4185 4.8643 4.8701 4.9821 4.9852 12.1951 12.2089 12.5731 12.5740 12.9955 12.9997 13.1372 13.1394 13.7875 13.7875 k =-0.3457 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6949 -13.6948 -13.4443 -13.4443 -11.1995 -11.1992 -9.7513 -9.7490 -8.6800 -8.6748 -8.4564 -8.4478 -3.5888 -3.5878 -1.7482 -1.7474 -1.6504 -1.6455 -1.3204 -1.3094 -1.1196 -1.1147 -0.4676 -0.4613 0.8404 0.8492 0.8545 0.8553 2.0267 2.0278 2.0562 2.0665 2.2823 2.2824 2.7854 2.7859 2.7888 2.7996 3.3020 3.3148 3.4021 3.4080 4.4156 4.4185 4.8643 4.8701 4.9821 4.9852 12.1951 12.2089 12.5731 12.5740 12.9955 12.9997 13.1372 13.1394 13.7875 13.7875 k =-0.3457 0.5587 0.0163 ( 4304 PWs) bands (ev): -13.6947 -13.6946 -13.4444 -13.4444 -11.1985 -11.1982 -9.7508 -9.7484 -8.6824 -8.6772 -8.4573 -8.4487 -3.5864 -3.5854 -1.7486 -1.7479 -1.6611 -1.6562 -1.3071 -1.2962 -1.1180 -1.1131 -0.4712 -0.4650 0.8419 0.8500 0.8558 0.8560 2.0251 2.0262 2.0541 2.0643 2.2834 2.2835 2.7852 2.7878 2.7902 2.7988 3.3007 3.3132 3.4045 3.4101 4.4154 4.4183 4.8638 4.8696 4.9815 4.9846 12.1931 12.2069 12.5718 12.5726 12.9962 13.0003 13.1342 13.1363 13.7853 13.7854 k =-0.3457 0.5587 0.0327 ( 4304 PWs) bands (ev): -13.6942 -13.6941 -13.4447 -13.4447 -11.1956 -11.1953 -9.7491 -9.7467 -8.6896 -8.6845 -8.4601 -8.4516 -3.5792 -3.5783 -1.7499 -1.7491 -1.6892 -1.6840 -1.2714 -1.2608 -1.1132 -1.1083 -0.4819 -0.4759 0.8464 0.8522 0.8580 0.8600 2.0204 2.0215 2.0479 2.0579 2.2865 2.2866 2.7832 2.7935 2.7958 2.7964 3.2970 3.3088 3.4113 3.4161 4.4147 4.4175 4.8624 4.8681 4.9797 4.9828 12.1872 12.2009 12.5677 12.5686 12.9982 13.0019 13.1251 13.1272 13.7791 13.7793 k =-0.3457 0.5587 0.0490 ( 4305 PWs) bands (ev): -13.6934 -13.6933 -13.4452 -13.4452 -11.1907 -11.1905 -9.7462 -9.7439 -8.7016 -8.6965 -8.4647 -8.4563 -3.5673 -3.5664 -1.7521 -1.7512 -1.7270 -1.7217 -1.2210 -1.2106 -1.1051 -1.1003 -0.4994 -0.4936 0.8536 0.8556 0.8614 0.8668 2.0130 2.0141 2.0376 2.0472 2.2914 2.2915 2.7794 2.7917 2.8036 2.8054 3.2917 3.3027 3.4213 3.4254 4.4135 4.4163 4.8600 4.8657 4.9767 4.9798 12.1779 12.1914 12.5611 12.5620 13.0015 13.0047 13.1096 13.1117 13.7700 13.7702 k =-0.3457 0.5587 0.0653 ( 4314 PWs) bands (ev): -13.6922 -13.6921 -13.4460 -13.4460 -11.1839 -11.1837 -9.7422 -9.7399 -8.7182 -8.7132 -8.4712 -8.4628 -3.5508 -3.5500 -1.7696 -1.7637 -1.7546 -1.7542 -1.1614 -1.1511 -1.0938 -1.0891 -0.5233 -0.5179 0.8602 0.8623 0.8669 0.8759 2.0034 2.0045 2.0234 2.0325 2.2979 2.2980 2.7738 2.7855 2.8168 2.8186 3.2855 3.2957 3.4337 3.4371 4.4118 4.4146 4.8565 4.8622 4.9725 4.9756 12.1657 12.1790 12.5521 12.5530 13.0064 13.0089 13.0875 13.0897 13.7590 13.7593 k =-0.3457 0.5587 0.0817 ( 4307 PWs) bands (ev): -13.6906 -13.6905 -13.4470 -13.4470 -11.1751 -11.1749 -9.7371 -9.7348 -8.7393 -8.7344 -8.4795 -8.4712 -3.5299 -3.5292 -1.8125 -1.8068 -1.7587 -1.7581 -1.0964 -1.0856 -1.0787 -1.0746 -0.5530 -0.5479 0.8661 0.8702 0.8763 0.8868 1.9921 1.9932 2.0054 2.0139 2.3055 2.3058 2.7664 2.7774 2.8332 2.8351 3.2789 3.2886 3.4478 3.4508 4.4098 4.4125 4.8521 4.8577 4.9671 4.9701 12.1514 12.1646 12.5408 12.5417 13.0128 13.0145 13.0591 13.0613 13.7475 13.7479 k =-0.3457 0.5587 0.0980 ( 4305 PWs) bands (ev): -13.6887 -13.6886 -13.4482 -13.4482 -11.1644 -11.1642 -9.7309 -9.7286 -8.7648 -8.7599 -8.4895 -8.4813 -3.5049 -3.5043 -1.8549 -1.8494 -1.7636 -1.7630 -1.0618 -1.0568 -1.0257 -1.0160 -0.5878 -0.5831 0.8732 0.8778 0.8885 0.8988 1.9795 1.9802 1.9842 1.9916 2.3142 2.3146 2.7569 2.7672 2.8526 2.8545 3.2724 3.2816 3.4633 3.4658 4.4074 4.4100 4.8466 4.8521 4.9604 4.9634 12.1360 12.1490 12.5273 12.5282 13.0196 13.0206 13.0258 13.0279 13.7364 13.7369 k =-0.3457 0.5587 0.1143 ( 4310 PWs) bands (ev): -13.6865 -13.6865 -13.4496 -13.4496 -11.1518 -11.1516 -9.7235 -9.7213 -8.7943 -8.7896 -8.5013 -8.4933 -3.4761 -3.4755 -1.8959 -1.8905 -1.7694 -1.7688 -1.0404 -1.0356 -0.9534 -0.9436 -0.6270 -0.6226 0.8815 0.8864 0.9016 0.9113 1.9581 1.9643 1.9678 1.9682 2.3236 2.3242 2.7454 2.7547 2.8744 2.8764 3.2663 3.2750 3.4797 3.4821 4.4046 4.4072 4.8400 4.8455 4.9525 4.9554 12.1203 12.1332 12.5115 12.5124 12.9848 12.9868 13.0309 13.0310 13.7263 13.7268 k =-0.3457 0.5587 0.1306 ( 4313 PWs) bands (ev): -13.6840 -13.6839 -13.4512 -13.4512 -11.1373 -11.1371 -9.7151 -9.7129 -8.8277 -8.8231 -8.5148 -8.5069 -3.4436 -3.4432 -1.9347 -1.9295 -1.7763 -1.7757 -1.0157 -1.0110 -0.8793 -0.8695 -0.6694 -0.6654 0.8912 0.8962 0.9149 0.9239 1.9299 1.9362 1.9535 1.9549 2.3336 2.3344 2.7316 2.7400 2.8983 2.9004 3.2606 3.2691 3.4971 3.4993 4.4016 4.4041 4.8322 4.8377 4.9433 4.9461 12.1052 12.1180 12.4934 12.4943 12.9419 12.9439 13.0414 13.0422 13.7171 13.7176 k =-0.3457 0.5587 0.1470 ( 4313 PWs) bands (ev): -13.6812 -13.6811 -13.4531 -13.4531 -11.1208 -11.1207 -9.7055 -9.7034 -8.8647 -8.8602 -8.5299 -8.5222 -3.4079 -3.4076 -1.9710 -1.9660 -1.7842 -1.7836 -0.9875 -0.9830 -0.8065 -0.7973 -0.7121 -0.7078 0.9021 0.9072 0.9277 0.9360 1.8985 1.9040 1.9405 1.9420 2.3440 2.3450 2.7154 2.7227 2.9237 2.9259 3.2558 3.2640 3.5151 3.5172 4.3985 4.4008 4.8233 4.8287 4.9329 4.9356 12.0915 12.1042 12.4726 12.4735 12.8976 12.8994 13.0535 13.0551 13.7086 13.7091 k =-0.3457 0.5587 0.1633 ( 4311 PWs) bands (ev): -13.6781 -13.6780 -13.4551 -13.4551 -11.1025 -11.1024 -9.6948 -9.6927 -8.9051 -8.9007 -8.5466 -8.5390 -3.3693 -3.3691 -2.0045 -1.9997 -1.7931 -1.7925 -0.9559 -0.9515 -0.7801 -0.7766 -0.7097 -0.7001 0.9143 0.9196 0.9396 0.9472 1.8644 1.8691 1.9281 1.9299 2.3548 2.3560 2.6966 2.7029 2.9500 2.9524 3.2518 3.2599 3.5337 3.5359 4.3952 4.3974 4.8132 4.8184 4.9211 4.9238 12.0799 12.0925 12.4485 12.4495 12.8540 12.8557 13.0672 13.0696 13.7001 13.7007 k =-0.3457 0.5587 0.1796 ( 4319 PWs) bands (ev): -13.6747 -13.6746 -13.4574 -13.4574 -11.0822 -11.0822 -9.6830 -9.6810 -8.9485 -8.9443 -8.5648 -8.5575 -3.3281 -3.3281 -2.0352 -2.0306 -1.8032 -1.8026 -0.9208 -0.9166 -0.8247 -0.8222 -0.6376 -0.6274 0.9278 0.9332 0.9503 0.9572 1.8276 1.8315 1.9169 1.9188 2.3658 2.3672 2.6752 2.6803 2.9768 2.9792 3.2490 3.2570 3.5529 3.5551 4.3919 4.3940 4.8018 4.8069 4.9082 4.9107 12.0709 12.0835 12.4207 12.4216 12.8134 12.8150 13.0822 13.0854 13.6912 13.6917 k =-0.3457 0.5587 0.1960 ( 4319 PWs) bands (ev): -13.6710 -13.6709 -13.4599 -13.4599 -11.0601 -11.0601 -9.6701 -9.6682 -8.9948 -8.9907 -8.5845 -8.5773 -3.2848 -3.2848 -2.0628 -2.0584 -1.8144 -1.8138 -0.8834 -0.8786 -0.8758 -0.8744 -0.5591 -0.5489 0.9425 0.9480 0.9596 0.9656 1.7885 1.7915 1.9070 1.9091 2.3768 2.3784 2.6510 2.6550 3.0033 3.0059 3.2477 3.2555 3.5726 3.5750 4.3886 4.3907 4.7890 4.7941 4.8940 4.8964 12.0651 12.0777 12.3887 12.3896 12.7778 12.7793 13.0983 13.1023 13.6809 13.6815 k =-0.3457 0.5587 0.2123 ( 4320 PWs) bands (ev): -13.6670 -13.6669 -13.4626 -13.4626 -11.0362 -11.0361 -9.6561 -9.6543 -9.0436 -9.0396 -8.6055 -8.5986 -3.2398 -3.2396 -2.0874 -2.0832 -1.8268 -1.8262 -0.9317 -0.9297 -0.8399 -0.8362 -0.4795 -0.4693 0.9585 0.9633 0.9678 0.9723 1.7472 1.7494 1.8988 1.9011 2.3877 2.3895 2.6240 2.6268 3.0288 3.0315 3.2482 3.2557 3.5929 3.5953 4.3856 4.3876 4.7749 4.7799 4.8786 4.8809 12.0629 12.0756 12.3527 12.3537 12.7486 12.7499 13.1154 13.1201 13.6688 13.6693 k =-0.3457 0.5587 0.2286 ( 4316 PWs) bands (ev): -13.6628 -13.6627 -13.4655 -13.4655 -11.0104 -11.0103 -9.6411 -9.6394 -9.0946 -9.0908 -8.6278 -8.6211 -3.1932 -3.1929 -2.1088 -2.1048 -1.8403 -1.8398 -0.9874 -0.9858 -0.7944 -0.7909 -0.3998 -0.3896 0.9716 0.9746 0.9782 0.9823 1.7040 1.7054 1.8926 1.8952 2.3982 2.4003 2.5941 2.5957 3.0526 3.0553 3.2508 3.2581 3.6137 3.6162 4.3828 4.3847 4.7594 4.7643 4.8622 4.8643 12.0646 12.0773 12.3134 12.3145 12.7261 12.7273 13.1331 13.1386 13.6542 13.6547 k =-0.3457 0.5587 0.2450 ( 4318 PWs) bands (ev): -13.6584 -13.6583 -13.4686 -13.4686 -10.9827 -10.9827 -9.6250 -9.6234 -9.1476 -9.1440 -8.6514 -8.6449 -3.1455 -3.1450 -2.1270 -2.1233 -1.8550 -1.8545 -1.0440 -1.0427 -0.7454 -0.7422 -0.3204 -0.3102 0.9752 0.9793 0.9946 1.0007 1.6591 1.6597 1.8886 1.8915 2.4083 2.4105 2.5613 2.5618 3.0738 3.0765 3.2559 3.2628 3.6352 3.6378 4.3804 4.3823 4.7425 4.7472 4.8447 4.8467 12.0704 12.0831 12.2722 12.2734 12.7103 12.7114 13.1510 13.1573 13.6363 13.6369 k =-0.3457 0.5587 0.2613 ( 4316 PWs) bands (ev): -13.6537 -13.6536 -13.4720 -13.4719 -10.9533 -10.9532 -9.6078 -9.6064 -9.2024 -9.1989 -8.6761 -8.6699 -3.0969 -3.0963 -2.1420 -2.1386 -1.8709 -1.8704 -1.1011 -1.1000 -0.6931 -0.6902 -0.2419 -0.2318 0.9766 0.9800 1.0140 1.0203 1.6125 1.6126 1.8872 1.8903 2.4176 2.4200 2.5250 2.5256 3.0921 3.0945 3.2637 3.2700 3.6574 3.6601 4.3785 4.3803 4.7241 4.7287 4.8262 4.8281 12.0805 12.0932 12.2306 12.2320 12.7006 12.7015 13.1685 13.1756 13.6144 13.6151 k =-0.3457 0.5587 0.2776 ( 4313 PWs) bands (ev): -13.6488 -13.6487 -13.4755 -13.4755 -10.9221 -10.9220 -9.5897 -9.5883 -9.2587 -9.2553 -8.7018 -8.6959 -3.0477 -3.0471 -2.1538 -2.1507 -1.8880 -1.8876 -1.1582 -1.1573 -0.6376 -0.6349 -0.1646 -0.1545 0.9759 0.9786 1.0345 1.0409 1.5642 1.5649 1.8885 1.8919 2.4259 2.4285 2.4854 2.4872 3.1072 3.1093 3.2739 3.2794 3.6805 3.6833 4.3772 4.3790 4.7042 4.7086 4.8070 4.8087 12.0949 12.1076 12.1903 12.1918 12.6960 12.6969 13.1850 13.1929 13.5877 13.5886 k =-0.3457 0.5587 0.2940 ( 4313 PWs) bands (ev): -13.6437 -13.6437 -13.4792 -13.4792 -10.8892 -10.8890 -9.5705 -9.5693 -9.3162 -9.3130 -8.7285 -8.7228 -2.9982 -2.9975 -2.1625 -2.1596 -1.9063 -1.9059 -1.2152 -1.2146 -0.5789 -0.5766 -0.0888 -0.0788 0.9730 0.9751 1.0556 1.0622 1.5151 1.5163 1.8928 1.8964 2.4328 2.4352 2.4437 2.4462 3.1194 3.1210 3.2858 3.2904 3.7047 3.7076 4.3765 4.3783 4.6827 4.6871 4.7870 4.7886 12.1135 12.1262 12.1525 12.1543 12.6957 12.6967 13.1996 13.2083 13.5554 13.5565 k =-0.3457 0.5587 0.3103 ( 4309 PWs) bands (ev): -13.6385 -13.6384 -13.4832 -13.4831 -10.8545 -10.8542 -9.5504 -9.5493 -9.3747 -9.3717 -8.7561 -8.7507 -2.9486 -2.9479 -2.1680 -2.1653 -1.9259 -1.9255 -1.2719 -1.2714 -0.5173 -0.5154 -0.0149 -0.0051 0.9681 0.9696 1.0770 1.0836 1.4658 1.4674 1.9000 1.9039 2.3981 2.4022 2.4386 2.4418 3.1292 3.1304 3.2984 3.3021 3.7301 3.7331 4.3767 4.3783 4.6598 4.6640 4.7665 4.7678 12.1185 12.1203 12.1366 12.1494 12.6991 12.7000 13.2113 13.2209 13.5164 13.5179 k =-0.3457 0.5587 0.3266 ( 4315 PWs) bands (ev): -13.6331 -13.6330 -13.4873 -13.4873 -10.8181 -10.8178 -9.5293 -9.5283 -9.4341 -9.4312 -8.7844 -8.7793 -2.8992 -2.8984 -2.1704 -2.1679 -1.9466 -1.9463 -1.3280 -1.3277 -0.4530 -0.4514 0.0567 0.0664 0.9612 0.9621 1.0976 1.1039 1.4176 1.4193 1.9104 1.9145 2.3510 2.3561 2.4424 2.4458 3.1373 3.1383 3.3106 3.3133 3.7569 3.7599 4.3776 4.3793 4.6354 4.6395 4.7454 4.7466 12.0894 12.0914 12.1636 12.1764 12.7050 12.7059 13.2190 13.2293 13.4699 13.4720 k =-0.3457 0.5587 0.3430 ( 4312 PWs) bands (ev): -13.6275 -13.6274 -13.4916 -13.4916 -10.7800 -10.7797 -9.5073 -9.5065 -9.4941 -9.4913 -8.8134 -8.8086 -2.8502 -2.8493 -2.1696 -2.1674 -1.9686 -1.9683 -1.3834 -1.3831 -0.3860 -0.3849 0.1258 0.1353 0.9524 0.9527 1.1153 1.1209 1.3729 1.3741 1.9240 1.9283 2.3017 2.3078 2.4441 2.4477 3.1446 3.1453 3.3214 3.3233 3.7852 3.7882 4.3795 4.3811 4.6095 4.6135 4.7241 4.7251 12.0658 12.0681 12.1946 12.2074 12.7127 12.7136 13.2213 13.2323 13.4161 13.4188 k =-0.3457 0.5587 0.3593 ( 4316 PWs) bands (ev): -13.6218 -13.6217 -13.4961 -13.4961 -10.7403 -10.7399 -9.5546 -9.5520 -9.4842 -9.4836 -8.8430 -8.8385 -2.8016 -2.8008 -2.1658 -2.1638 -1.9918 -1.9915 -1.4378 -1.4377 -0.3167 -0.3161 0.1920 0.2013 0.9416 0.9418 1.1254 1.1293 1.3366 1.3369 1.9408 1.9453 2.2505 2.2575 2.4436 2.4474 3.1515 3.1521 3.3301 3.3313 3.8151 3.8180 4.3824 4.3840 4.5822 4.5860 4.7026 4.7034 12.0484 12.0509 12.2295 12.2422 12.7207 12.7216 13.2170 13.2285 13.3562 13.3595 k =-0.3457 0.5587 0.3756 ( 4319 PWs) bands (ev): -13.6160 -13.6159 -13.5008 -13.5007 -10.6989 -10.6985 -9.6153 -9.6129 -9.4604 -9.4599 -8.8732 -8.8689 -2.7537 -2.7528 -2.1590 -2.1572 -2.0162 -2.0160 -1.4912 -1.4911 -0.2453 -0.2452 0.2551 0.2642 0.9287 0.9295 1.1198 1.1207 1.3149 1.3181 1.9606 1.9652 2.1977 2.2056 2.4406 2.4446 3.1586 3.1592 3.3364 3.3369 3.8464 3.8492 4.3863 4.3878 4.5535 4.5572 4.6810 4.6816 12.0376 12.0404 12.2679 12.2805 12.7273 12.7281 13.2054 13.2173 13.2933 13.2971 k =-0.3457 0.5587 0.3919 ( 4323 PWs) bands (ev): -13.6101 -13.6100 -13.5056 -13.5056 -10.6560 -10.6555 -9.6762 -9.6738 -9.4357 -9.4354 -8.9037 -8.8997 -2.7065 -2.7056 -2.1492 -2.1476 -2.0418 -2.0416 -1.5433 -1.5433 -0.1725 -0.1721 0.3151 0.3239 0.9142 0.9155 1.0909 1.0929 1.3147 1.3207 1.9833 1.9881 2.1437 2.1523 2.4349 2.4392 3.1662 3.1668 3.3398 3.3398 3.8792 3.8819 4.3913 4.3928 4.5235 4.5271 4.6595 4.6599 12.0338 12.0368 12.3095 12.3221 12.7296 12.7302 13.1861 13.1982 13.2320 13.2362 k =-0.3457 0.5587 0.4083 ( 4325 PWs) bands (ev): -13.6041 -13.6040 -13.5106 -13.5106 -10.6115 -10.6109 -9.7369 -9.7347 -9.4102 -9.4101 -8.9346 -8.9309 -2.6602 -2.6593 -2.1366 -2.1352 -2.0686 -2.0685 -1.5941 -1.5941 -0.0983 -0.0973 0.3717 0.3802 0.8980 0.8998 1.0451 1.0489 1.3316 1.3395 2.0086 2.0135 2.0886 2.0980 2.4264 2.4308 3.1744 3.1752 3.3400 3.3405 3.9132 3.9159 4.3974 4.3988 4.4922 4.4957 4.6382 4.6385 12.0372 12.0404 12.3542 12.3667 12.7240 12.7242 13.1593 13.1714 13.1784 13.1825 k =-0.3457 0.5587 0.4246 ( 4327 PWs) bands (ev): -13.5981 -13.5980 -13.5158 -13.5157 -10.5656 -10.5649 -9.7975 -9.7954 -9.3840 -9.3839 -8.9657 -8.9623 -2.6148 -2.6140 -2.1212 -2.1199 -2.0965 -2.0964 -1.6435 -1.6434 -0.0228 -0.0214 0.4249 0.4331 0.8803 0.8826 0.9902 0.9950 1.3587 1.3677 2.0327 2.0360 2.0416 2.0432 2.4149 2.4196 3.1836 3.1844 3.3375 3.3385 3.9483 3.9510 4.4046 4.4060 4.4598 4.4632 4.6172 4.6173 12.0479 12.0513 12.4015 12.4139 12.7055 12.7060 13.1256 13.1377 13.1386 13.1422 k =-0.3457 0.5587 0.4409 ( 4325 PWs) bands (ev): -13.5920 -13.5919 -13.5211 -13.5210 -10.5182 -10.5174 -9.8578 -9.8558 -9.3572 -9.3569 -8.9970 -8.9938 -2.5704 -2.5696 -2.1262 -2.1262 -2.1024 -2.1013 -1.6912 -1.6911 0.0535 0.0555 0.4748 0.4826 0.8610 0.8638 0.9298 0.9351 1.3918 1.4015 1.9770 1.9875 2.0659 2.0710 2.4005 2.4053 3.1936 3.1946 3.3326 3.3339 3.9844 3.9870 4.4130 4.4142 4.4265 4.4296 4.5966 4.5967 12.0659 12.0695 12.4512 12.4636 12.6715 12.6728 13.0863 13.0984 13.1163 13.1191 k =-0.3457 0.5587 0.4573 ( 4325 PWs) bands (ev): -13.5859 -13.5858 -13.5265 -13.5265 -10.4693 -10.4685 -9.9176 -9.9157 -9.3297 -9.3292 -9.0283 -9.0254 -2.5271 -2.5263 -2.1566 -2.1565 -2.0815 -2.0806 -1.7371 -1.7371 0.1304 0.1329 0.5213 0.5287 0.8402 0.8433 0.8660 0.8714 1.4290 1.4392 1.9212 1.9321 2.0969 2.1021 2.3832 2.3881 3.2045 3.2058 3.3255 3.3271 4.0211 4.0237 4.3919 4.3951 4.4225 4.4239 4.5765 4.5767 12.0910 12.0948 12.5029 12.5152 12.6235 12.6255 13.0422 13.0541 13.1116 13.1138 k =-0.3457 0.5587 0.4736 ( 4319 PWs) bands (ev): -13.5797 -13.5796 -13.5321 -13.5320 -10.4192 -10.4183 -9.9768 -9.9751 -9.3015 -9.3008 -9.0597 -9.0571 -2.4848 -2.4841 -2.1883 -2.1881 -2.0578 -2.0570 -1.7813 -1.7812 0.2075 0.2106 0.5646 0.5717 0.7990 0.8047 0.8177 0.8215 1.4692 1.4799 1.8657 1.8770 2.1290 2.1343 2.3629 2.3679 3.2163 3.2177 3.3165 3.3183 4.0584 4.0610 4.3567 4.3597 4.4332 4.4345 4.5570 4.5573 12.1232 12.1272 12.5541 12.5676 12.5678 12.5693 12.9942 13.0059 13.1211 13.1228 k =-0.3457 0.5587 0.4899 ( 4323 PWs) bands (ev): -13.5736 -13.5735 -13.5378 -13.5377 -10.3677 -10.3667 -10.0354 -10.0338 -9.2727 -9.2718 -9.0909 -9.0886 -2.4437 -2.4431 -2.2212 -2.2210 -2.0315 -2.0309 -1.8235 -1.8234 0.2846 0.2882 0.6049 0.6116 0.7301 0.7358 0.7935 0.7976 1.5122 1.5231 1.8110 1.8225 2.1616 2.1669 2.3400 2.3451 3.2287 3.2303 3.3059 3.3079 4.0960 4.0987 4.3207 4.3237 4.4450 4.4462 4.5382 4.5387 12.1622 12.1662 12.5022 12.5058 12.6115 12.6232 12.9432 12.9548 13.1408 13.1421 k =-0.3457 0.5587 0.5063 ( 4320 PWs) bands (ev): -13.5675 -13.5674 -13.5436 -13.5435 -10.3150 -10.3139 -10.0932 -10.0917 -9.2435 -9.2423 -9.1220 -9.1199 -2.4037 -2.4031 -2.2553 -2.2550 -2.0026 -2.0022 -1.8637 -1.8636 0.3614 0.3655 0.6423 0.6483 0.6595 0.6648 0.7675 0.7720 1.5574 1.5686 1.7573 1.7689 2.1942 2.1995 2.3145 2.3197 3.2417 3.2435 3.2942 3.2962 4.1339 4.1365 4.2841 4.2870 4.4580 4.4591 4.5203 4.5209 12.2074 12.2115 12.4379 12.4418 12.6670 12.6787 12.8899 12.9015 13.1675 13.1684 k =-0.3457 0.5587 0.5226 ( 4318 PWs) bands (ev): -13.5614 -13.5613 -13.5494 -13.5494 -10.2611 -10.2599 -10.1502 -10.1488 -9.2137 -9.2123 -9.1529 -9.1510 -2.3648 -2.3643 -2.2906 -2.2903 -1.9714 -1.9710 -1.9018 -1.9017 0.4375 0.4420 0.5866 0.5918 0.6772 0.6830 0.7396 0.7445 1.6047 1.6162 1.7049 1.7165 2.2263 2.2315 2.2868 2.2921 3.2551 3.2569 3.2816 3.2836 4.1717 4.1744 4.2470 4.2498 4.4720 4.4730 4.5032 4.5040 12.2584 12.2625 12.3748 12.3788 12.7231 12.7348 12.8351 12.8466 13.1991 13.1998 k =-0.3457 0.5587 0.5389 ( 4314 PWs) bands (ev): -13.5554 -13.5554 -13.5553 -13.5553 -10.2062 -10.2062 -10.2049 -10.2049 -9.1835 -9.1835 -9.1819 -9.1819 -2.3271 -2.3271 -2.3267 -2.3267 -1.9377 -1.9377 -1.9375 -1.9375 0.5126 0.5126 0.5175 0.5175 0.7095 0.7095 0.7149 0.7149 1.6539 1.6539 1.6655 1.6655 2.2573 2.2573 2.2625 2.2625 3.2684 3.2684 3.2704 3.2704 4.2095 4.2095 4.2122 4.2122 4.4871 4.4871 4.4880 4.4880 12.3145 12.3145 12.3186 12.3186 12.7793 12.7793 12.7909 12.7909 13.2341 13.2341 k =-0.3457 0.5587 0.5389 ( 4314 PWs) bands (ev): -13.5554 -13.5554 -13.5553 -13.5553 -10.2062 -10.2062 -10.2049 -10.2049 -9.1835 -9.1835 -9.1819 -9.1819 -2.3271 -2.3271 -2.3267 -2.3267 -1.9377 -1.9377 -1.9375 -1.9375 0.5126 0.5126 0.5175 0.5175 0.7095 0.7095 0.7149 0.7149 1.6539 1.6539 1.6655 1.6655 2.2573 2.2573 2.2625 2.2625 3.2684 3.2684 3.2704 3.2704 4.2095 4.2095 4.2122 4.2122 4.4871 4.4871 4.4880 4.4880 12.3145 12.3145 12.3186 12.3186 12.7793 12.7793 12.7909 12.7909 13.2341 13.2341 k =-0.3543 0.5449 0.5389 ( 4312 PWs) bands (ev): -13.5529 -13.5529 -13.5529 -13.5529 -10.2346 -10.2346 -10.2334 -10.2334 -9.1511 -9.1511 -9.1495 -9.1495 -2.2929 -2.2929 -2.2924 -2.2924 -2.0086 -2.0086 -2.0083 -2.0083 0.5325 0.5325 0.5374 0.5374 0.7159 0.7159 0.7210 0.7210 1.6642 1.6642 1.6756 1.6756 2.2655 2.2655 2.2705 2.2705 3.2644 3.2644 3.2662 3.2662 4.1806 4.1806 4.1834 4.1834 4.5192 4.5192 4.5200 4.5200 12.2674 12.2674 12.2714 12.2714 12.7703 12.7703 12.7814 12.7814 13.2587 13.2587 k =-0.3629 0.5310 0.5389 ( 4312 PWs) bands (ev): -13.5506 -13.5506 -13.5505 -13.5505 -10.2616 -10.2616 -10.2604 -10.2604 -9.1195 -9.1195 -9.1179 -9.1179 -2.2605 -2.2605 -2.2601 -2.2601 -2.0773 -2.0773 -2.0769 -2.0769 0.5502 0.5502 0.5550 0.5550 0.7222 0.7222 0.7270 0.7270 1.6753 1.6753 1.6864 1.6864 2.2742 2.2742 2.2790 2.2790 3.2601 3.2601 3.2617 3.2617 4.1532 4.1532 4.1560 4.1560 4.5516 4.5516 4.5525 4.5525 12.2196 12.2196 12.2235 12.2235 12.7602 12.7602 12.7708 12.7708 13.2845 13.2846 k =-0.3714 0.5172 0.5389 ( 4312 PWs) bands (ev): -13.5484 -13.5484 -13.5483 -13.5483 -10.2871 -10.2871 -10.2860 -10.2860 -9.0887 -9.0887 -9.0872 -9.0872 -2.2302 -2.2302 -2.2297 -2.2297 -2.1434 -2.1434 -2.1430 -2.1430 0.5658 0.5658 0.5706 0.5706 0.7284 0.7284 0.7329 0.7329 1.6872 1.6872 1.6979 1.6979 2.2832 2.2832 2.2878 2.2878 3.2555 3.2555 3.2569 3.2569 4.1273 4.1273 4.1300 4.1300 4.5842 4.5842 4.5851 4.5851 12.1721 12.1721 12.1758 12.1758 12.7496 12.7496 12.7596 12.7596 13.3109 13.3110 k =-0.3800 0.5033 0.5389 ( 4316 PWs) bands (ev): -13.5463 -13.5463 -13.5462 -13.5462 -10.3111 -10.3111 -10.3100 -10.3100 -9.0589 -9.0589 -9.0575 -9.0575 -2.2079 -2.2079 -2.2074 -2.2074 -2.2007 -2.2007 -2.2003 -2.2003 0.5797 0.5797 0.5842 0.5842 0.7346 0.7346 0.7387 0.7387 1.6995 1.6995 1.7098 1.7098 2.2924 2.2924 2.2968 2.2968 3.2506 3.2506 3.2519 3.2519 4.1030 4.1030 4.1057 4.1057 4.6167 4.6167 4.6176 4.6176 12.1256 12.1256 12.1291 12.1291 12.7390 12.7390 12.7484 12.7484 13.3371 13.3372 k =-0.3886 0.4895 0.5389 ( 4324 PWs) bands (ev): -13.5443 -13.5443 -13.5443 -13.5443 -10.3335 -10.3335 -10.3325 -10.3325 -9.0303 -9.0303 -9.0289 -9.0289 -2.2675 -2.2675 -2.2670 -2.2670 -2.1751 -2.1751 -2.1746 -2.1746 0.5917 0.5917 0.5961 0.5961 0.7405 0.7405 0.7444 0.7444 1.7120 1.7120 1.7219 1.7219 2.3017 2.3017 2.3058 2.3058 3.2456 3.2456 3.2468 3.2468 4.0803 4.0803 4.0829 4.0829 4.6489 4.6489 4.6497 4.6497 12.0806 12.0806 12.0839 12.0839 12.7289 12.7289 12.7377 12.7377 13.3625 13.3625 k =-0.3971 0.4756 0.5389 ( 4320 PWs) bands (ev): -13.5425 -13.5425 -13.5424 -13.5424 -10.3544 -10.3544 -10.3535 -10.3535 -9.0030 -9.0030 -9.0017 -9.0017 -2.3246 -2.3246 -2.3241 -2.3241 -2.1505 -2.1505 -2.1501 -2.1501 0.6022 0.6022 0.6064 0.6064 0.7463 0.7463 0.7499 0.7499 1.7246 1.7246 1.7339 1.7339 2.3109 2.3109 2.3148 2.3148 3.2405 3.2405 3.2416 3.2416 4.0593 4.0593 4.0618 4.0618 4.6803 4.6803 4.6811 4.6811 12.0376 12.0376 12.0407 12.0407 12.7196 12.7196 12.7279 12.7279 13.3868 13.3868 k =-0.4057 0.4618 0.5389 ( 4320 PWs) bands (ev): -13.5408 -13.5408 -13.5408 -13.5408 -10.3736 -10.3736 -10.3728 -10.3728 -8.9772 -8.9772 -8.9760 -8.9760 -2.3783 -2.3783 -2.3777 -2.3777 -2.1280 -2.1280 -2.1276 -2.1276 0.6112 0.6112 0.6152 0.6152 0.7518 0.7518 0.7551 0.7551 1.7369 1.7369 1.7456 1.7456 2.3199 2.3199 2.3235 2.3235 3.2354 3.2354 3.2363 3.2363 4.0400 4.0400 4.0424 4.0424 4.7108 4.7108 4.7115 4.7115 11.9969 11.9969 11.9998 11.9998 12.7116 12.7116 12.7193 12.7193 13.4098 13.4098 k =-0.4143 0.4479 0.5389 ( 4322 PWs) bands (ev): -13.5393 -13.5393 -13.5392 -13.5392 -10.3913 -10.3913 -10.3905 -10.3905 -8.9530 -8.9530 -8.9519 -8.9519 -2.4282 -2.4282 -2.4276 -2.4276 -2.1073 -2.1073 -2.1070 -2.1070 0.6190 0.6190 0.6226 0.6226 0.7571 0.7571 0.7601 0.7601 1.7489 1.7489 1.7569 1.7569 2.3286 2.3286 2.3320 2.3320 3.2304 3.2304 3.2312 3.2312 4.0223 4.0223 4.0246 4.0246 4.7400 4.7400 4.7407 4.7407 11.9590 11.9590 11.9616 11.9616 12.7049 12.7049 12.7120 12.7120 13.4311 13.4311 k =-0.4229 0.4341 0.5389 ( 4318 PWs) bands (ev): -13.5379 -13.5379 -13.5378 -13.5378 -10.4073 -10.4073 -10.4066 -10.4066 -8.9305 -8.9305 -8.9295 -8.9295 -2.4741 -2.4741 -2.4735 -2.4735 -2.0887 -2.0887 -2.0884 -2.0884 0.6256 0.6256 0.6289 0.6289 0.7620 0.7620 0.7647 0.7647 1.7602 1.7602 1.7675 1.7675 2.3369 2.3369 2.3400 2.3400 3.2254 3.2254 3.2262 3.2262 4.0064 4.0064 4.0085 4.0085 4.7676 4.7676 4.7682 4.7682 11.9240 11.9240 11.9263 11.9263 12.6998 12.6998 12.7062 12.7062 13.4506 13.4506 k =-0.4314 0.4202 0.5389 ( 4318 PWs) bands (ev): -13.5366 -13.5366 -13.5366 -13.5366 -10.4217 -10.4217 -10.4211 -10.4211 -8.9100 -8.9100 -8.9091 -8.9091 -2.5158 -2.5158 -2.5153 -2.5153 -2.0720 -2.0720 -2.0717 -2.0717 0.6312 0.6312 0.6342 0.6342 0.7665 0.7665 0.7689 0.7689 1.7708 1.7708 1.7774 1.7774 2.3447 2.3447 2.3474 2.3474 3.2207 3.2207 3.2214 3.2214 3.9922 3.9922 3.9941 3.9941 4.7933 4.7933 4.7939 4.7939 11.8921 11.8921 11.8942 11.8942 12.6962 12.6962 12.7020 12.7020 13.4683 13.4683 k =-0.4400 0.4063 0.5389 ( 4314 PWs) bands (ev): -13.5355 -13.5355 -13.5355 -13.5355 -10.4344 -10.4344 -10.4339 -10.4339 -8.8915 -8.8915 -8.8907 -8.8907 -2.5530 -2.5530 -2.5526 -2.5526 -2.0573 -2.0573 -2.0570 -2.0570 0.6359 0.6359 0.6385 0.6385 0.7707 0.7707 0.7727 0.7727 1.7805 1.7805 1.7864 1.7864 2.3518 2.3518 2.3542 2.3542 3.2163 3.2163 3.2169 3.2169 3.9797 3.9797 3.9814 3.9814 4.8168 4.8168 4.8173 4.8173 11.8636 11.8636 11.8655 11.8655 12.6941 12.6941 12.6992 12.6992 13.4839 13.4839 k =-0.4486 0.3925 0.5389 ( 4330 PWs) bands (ev): -13.5345 -13.5345 -13.5345 -13.5345 -10.4455 -10.4455 -10.4450 -10.4450 -8.8752 -8.8752 -8.8745 -8.8745 -2.5857 -2.5857 -2.5853 -2.5853 -2.0445 -2.0445 -2.0443 -2.0443 0.6398 0.6398 0.6420 0.6420 0.7744 0.7744 0.7761 0.7761 1.7892 1.7892 1.7943 1.7943 2.3581 2.3581 2.3603 2.3603 3.2123 3.2123 3.2128 3.2128 3.9689 3.9689 3.9704 3.9704 4.8378 4.8378 4.8382 4.8382 11.8387 11.8387 11.8403 11.8403 12.6932 12.6932 12.6977 12.6977 13.4975 13.4976 k =-0.4571 0.3786 0.5389 ( 4334 PWs) bands (ev): -13.5337 -13.5337 -13.5337 -13.5337 -10.4548 -10.4548 -10.4544 -10.4544 -8.8612 -8.8612 -8.8606 -8.8606 -2.6137 -2.6137 -2.6133 -2.6133 -2.0337 -2.0337 -2.0335 -2.0335 0.6429 0.6429 0.6448 0.6448 0.7775 0.7775 0.7790 0.7790 1.7968 1.7968 1.8010 1.8010 2.3637 2.3637 2.3655 2.3655 3.2088 3.2088 3.2092 3.2092 3.9598 3.9598 3.9611 3.9611 4.8560 4.8560 4.8564 4.8564 11.8174 11.8174 11.8187 11.8187 12.6934 12.6934 12.6972 12.6972 13.5091 13.5091 k =-0.4657 0.3648 0.5389 ( 4330 PWs) bands (ev): -13.5330 -13.5330 -13.5330 -13.5330 -10.4625 -10.4625 -10.4622 -10.4622 -8.8496 -8.8496 -8.8491 -8.8491 -2.6367 -2.6367 -2.6364 -2.6364 -2.0249 -2.0249 -2.0247 -2.0247 0.6455 0.6455 0.6470 0.6470 0.7802 0.7802 0.7814 0.7814 1.8032 1.8032 1.8066 1.8066 2.3684 2.3684 2.3699 2.3699 3.2058 3.2058 3.2062 3.2062 3.9525 3.9525 3.9535 3.9535 4.8713 4.8713 4.8716 4.8716 11.7998 11.7998 11.8009 11.8009 12.6943 12.6943 12.6974 12.6974 13.5185 13.5185 k =-0.4743 0.3509 0.5389 ( 4340 PWs) bands (ev): -13.5325 -13.5325 -13.5325 -13.5325 -10.4684 -10.4684 -10.4682 -10.4682 -8.8404 -8.8404 -8.8401 -8.8401 -2.6548 -2.6548 -2.6546 -2.6546 -2.0180 -2.0180 -2.0179 -2.0179 0.6474 0.6474 0.6486 0.6486 0.7824 0.7824 0.7833 0.7833 1.8083 1.8083 1.8109 1.8109 2.3721 2.3721 2.3732 2.3732 3.2035 3.2035 3.2037 3.2037 3.9467 3.9467 3.9475 3.9475 4.8834 4.8834 4.8836 4.8836 11.7861 11.7861 11.7869 11.7869 12.6957 12.6957 12.6980 12.6980 13.5259 13.5259 k =-0.4829 0.3371 0.5389 ( 4336 PWs) bands (ev): -13.5321 -13.5321 -13.5321 -13.5321 -10.4727 -10.4727 -10.4725 -10.4725 -8.8338 -8.8338 -8.8336 -8.8336 -2.6677 -2.6677 -2.6676 -2.6676 -2.0131 -2.0131 -2.0130 -2.0130 0.6488 0.6488 0.6496 0.6496 0.7840 0.7840 0.7846 0.7846 1.8121 1.8121 1.8139 1.8139 2.3749 2.3749 2.3756 2.3756 3.2018 3.2018 3.2019 3.2019 3.9427 3.9427 3.9432 3.9432 4.8922 4.8922 4.8923 4.8923 11.7763 11.7763 11.7768 11.7768 12.6970 12.6970 12.6986 12.6986 13.5311 13.5311 k =-0.4914 0.3232 0.5389 ( 4344 PWs) bands (ev): -13.5319 -13.5319 -13.5319 -13.5319 -10.4752 -10.4752 -10.4751 -10.4751 -8.8298 -8.8298 -8.8297 -8.8297 -2.6755 -2.6755 -2.6754 -2.6754 -2.0101 -2.0101 -2.0101 -2.0101 0.6497 0.6497 0.6501 0.6501 0.7850 0.7850 0.7853 0.7853 1.8146 1.8146 1.8155 1.8155 2.3767 2.3767 2.3770 2.3770 3.2007 3.2007 3.2008 3.2008 3.9403 3.9403 3.9406 3.9406 4.8975 4.8975 4.8975 4.8975 11.7704 11.7704 11.7707 11.7707 12.6981 12.6981 12.6989 12.6989 13.5343 13.5343 k =-0.5000 0.3094 0.5389 ( 4344 PWs) bands (ev): -13.5318 -13.5318 -13.5318 -13.5318 -10.4760 -10.4760 -10.4760 -10.4760 -8.8284 -8.8284 -8.8284 -8.8284 -2.6781 -2.6781 -2.6781 -2.6781 -2.0092 -2.0092 -2.0092 -2.0092 0.6502 0.6502 0.6502 0.6502 0.7854 0.7854 0.7854 0.7854 1.8157 1.8157 1.8157 1.8157 2.3774 2.3774 2.3774 2.3774 3.2004 3.2004 3.2004 3.2004 3.9396 3.9396 3.9396 3.9396 4.8993 4.8993 4.8993 4.8993 11.7686 11.7686 11.7686 11.7686 12.6988 12.6988 12.6988 12.6988 13.5353 13.5353 k =-0.5000 0.3094 0.5389 ( 4344 PWs) bands (ev): -13.5318 -13.5318 -13.5318 -13.5318 -10.4760 -10.4760 -10.4760 -10.4760 -8.8284 -8.8284 -8.8284 -8.8284 -2.6781 -2.6781 -2.6781 -2.6781 -2.0092 -2.0092 -2.0092 -2.0092 0.6502 0.6502 0.6502 0.6502 0.7854 0.7854 0.7854 0.7854 1.8157 1.8157 1.8157 1.8157 2.3774 2.3774 2.3774 2.3774 3.2004 3.2004 3.2004 3.2004 3.9396 3.9396 3.9396 3.9396 4.8993 4.8993 4.8993 4.8993 11.7686 11.7686 11.7686 11.7686 12.6988 12.6988 12.6988 12.6988 13.5353 13.5353 k =-0.5000 0.3094 0.5226 ( 4348 PWs) bands (ev): -13.5370 -13.5370 -13.5268 -13.5268 -10.5335 -10.5335 -10.4175 -10.4175 -8.8338 -8.8338 -8.8232 -8.8232 -2.6824 -2.6824 -2.6706 -2.6706 -2.0465 -2.0465 -1.9742 -1.9742 0.5541 0.5541 0.7461 0.7461 0.7782 0.7782 0.7910 0.7910 1.7903 1.7903 1.8436 1.8436 2.3732 2.3732 2.3800 2.3800 3.1956 3.1956 3.2019 3.2019 3.9029 3.9029 3.9768 3.9768 4.8990 4.8990 4.9004 4.9004 11.7720 11.7720 11.7737 11.7737 12.6946 12.6946 12.6999 12.6999 13.4932 13.4932 k =-0.5000 0.3094 0.5063 ( 4348 PWs) bands (ev): -13.5421 -13.5421 -13.5217 -13.5217 -10.5897 -10.5897 -10.3578 -10.3578 -8.8394 -8.8394 -8.8183 -8.8183 -2.6836 -2.6836 -2.6601 -2.6601 -2.0862 -2.0862 -1.9414 -1.9414 0.4587 0.4587 0.7691 0.7691 0.7949 0.7949 0.8408 0.8408 1.7681 1.7681 1.8733 1.8733 2.3676 2.3676 2.3810 2.3810 3.1871 3.1871 3.2006 3.2006 3.8667 3.8667 4.0139 4.0139 4.8997 4.8997 4.9023 4.9023 11.7842 11.7842 11.7872 11.7872 12.6878 12.6878 12.6974 12.6974 13.4497 13.4497 k =-0.5000 0.3094 0.4899 ( 4348 PWs) bands (ev): -13.5473 -13.5473 -13.5168 -13.5168 -10.6446 -10.6446 -10.2972 -10.2972 -8.8452 -8.8452 -8.8135 -8.8135 -2.6816 -2.6816 -2.6465 -2.6465 -2.1285 -2.1285 -1.9107 -1.9107 0.3648 0.3648 0.7583 0.7583 0.7972 0.7972 0.9325 0.9325 1.7505 1.7505 1.9045 1.9045 2.3606 2.3606 2.3803 2.3803 3.1748 3.1748 3.1968 3.1968 3.8315 3.8315 4.0508 4.0508 4.9014 4.9014 4.9051 4.9051 11.8051 11.8051 11.8087 11.8087 12.6790 12.6790 12.6911 12.6911 13.4053 13.4053 k =-0.5000 0.3094 0.4736 ( 4344 PWs) bands (ev): -13.5525 -13.5525 -13.5119 -13.5119 -10.6983 -10.6983 -10.2357 -10.2357 -8.8511 -8.8511 -8.8090 -8.8090 -2.6765 -2.6765 -2.6298 -2.6298 -2.1734 -2.1734 -1.8820 -1.8820 0.2728 0.2728 0.7454 0.7454 0.7979 0.7979 1.0192 1.0192 1.7392 1.7392 1.9367 1.9367 2.3523 2.3523 2.3780 2.3780 3.1583 3.1583 3.1911 3.1911 3.7975 3.7975 4.0871 4.0871 4.9041 4.9041 4.9085 4.9085 11.8346 11.8346 11.8379 11.8379 12.6685 12.6685 12.6806 12.6806 13.3605 13.3605 k =-0.5000 0.3094 0.4573 ( 4348 PWs) bands (ev): -13.5577 -13.5577 -13.5071 -13.5071 -10.7505 -10.7505 -10.1735 -10.1735 -8.8572 -8.8572 -8.8047 -8.8047 -2.6683 -2.6683 -2.6102 -2.6102 -2.2209 -2.2209 -1.8551 -1.8551 0.1835 0.1835 0.7303 0.7303 0.7970 0.7970 1.0979 1.0979 1.7367 1.7367 1.9697 1.9697 2.3429 2.3429 2.3740 2.3740 3.1376 3.1376 3.1839 3.1839 3.7650 3.7650 4.1227 4.1227 4.9079 4.9079 4.9126 4.9126 11.8726 11.8726 11.8744 11.8744 12.6568 12.6568 12.6661 12.6661 13.3159 13.3159 k =-0.5000 0.3094 0.4409 ( 4346 PWs) bands (ev): -13.5629 -13.5629 -13.5024 -13.5024 -10.8012 -10.8012 -10.1105 -10.1105 -8.8633 -8.8633 -8.8007 -8.8007 -2.6569 -2.6569 -2.5876 -2.5876 -2.2712 -2.2712 -1.8300 -1.8300 0.0970 0.0970 0.7130 0.7130 0.7944 0.7944 1.1652 1.1652 1.7465 1.7465 2.0032 2.0032 2.3323 2.3323 2.3683 2.3683 3.1129 3.1129 3.1757 3.1757 3.7340 3.7340 4.1574 4.1574 4.9128 4.9128 4.9174 4.9174 11.9168 11.9168 11.9196 11.9196 12.6440 12.6440 12.6480 12.6480 13.2721 13.2721 k =-0.5000 0.3094 0.4246 ( 4342 PWs) bands (ev): -13.5680 -13.5680 -13.4979 -13.4979 -10.8505 -10.8505 -10.0470 -10.0470 -8.8696 -8.8696 -8.7970 -8.7970 -2.6425 -2.6425 -2.5622 -2.5622 -2.3240 -2.3240 -1.8066 -1.8066 0.0139 0.0139 0.6932 0.6932 0.7900 0.7900 1.2173 1.2173 1.7717 1.7717 2.0372 2.0372 2.3208 2.3208 2.3612 2.3612 3.0845 3.0845 3.1667 3.1667 3.7046 3.7046 4.1910 4.1910 4.9188 4.9188 4.9227 4.9227 11.9655 11.9655 11.9741 11.9741 12.6247 12.6247 12.6323 12.6323 13.2298 13.2298 k =-0.5000 0.3094 0.4083 ( 4336 PWs) bands (ev): -13.5731 -13.5731 -13.4934 -13.4934 -10.8982 -10.8982 -9.9830 -9.9830 -8.8759 -8.8759 -8.7935 -8.7935 -2.6251 -2.6251 -2.5340 -2.5340 -2.3796 -2.3796 -1.7847 -1.7847 -0.0656 -0.0656 0.6708 0.6708 0.7838 0.7838 1.2525 1.2525 1.8137 1.8137 2.0714 2.0714 2.3084 2.3084 2.3526 2.3526 3.0528 3.0528 3.1575 3.1575 3.6768 3.6768 4.2233 4.2233 4.9259 4.9259 4.9285 4.9285 12.0190 12.0190 12.0367 12.0367 12.5994 12.5994 12.6195 12.6195 13.1899 13.1899 k =-0.5000 0.3094 0.3919 ( 4332 PWs) bands (ev): -13.5782 -13.5782 -13.4891 -13.4891 -10.9444 -10.9444 -9.9187 -9.9187 -8.8823 -8.8823 -8.7902 -8.7902 -2.6047 -2.6047 -2.5031 -2.5031 -2.4376 -2.4376 -1.7643 -1.7643 -0.1414 -0.1414 0.6456 0.6456 0.7756 0.7756 1.2718 1.2718 1.8713 1.8713 2.1057 2.1057 2.2953 2.2953 2.3429 2.3429 3.0182 3.0182 3.1482 3.1482 3.6504 3.6504 4.2544 4.2544 4.9340 4.9340 4.9351 4.9351 12.0761 12.0761 12.1066 12.1066 12.5713 12.5713 12.6072 12.6072 13.1534 13.1534 k =-0.5000 0.3094 0.3756 ( 4344 PWs) bands (ev): -13.5832 -13.5832 -13.4849 -13.4849 -10.9889 -10.9889 -9.8543 -9.8543 -8.8887 -8.8887 -8.7872 -8.7872 -2.5814 -2.5814 -2.4980 -2.4980 -2.4696 -2.4696 -1.7452 -1.7452 -0.2132 -0.2132 0.6174 0.6174 0.7653 0.7653 1.2785 1.2785 1.9407 1.9407 2.1399 2.1399 2.2814 2.2814 2.3322 2.3322 2.9814 2.9814 3.1391 3.1391 3.6252 3.6252 4.2841 4.2841 4.9411 4.9411 4.9441 4.9441 12.1352 12.1352 12.1837 12.1837 12.5410 12.5410 12.5956 12.5956 13.1214 13.1214 k =-0.5000 0.3094 0.3593 ( 4334 PWs) bands (ev): -13.5880 -13.5880 -13.4808 -13.4808 -11.0317 -11.0317 -9.7898 -9.7898 -8.8950 -8.8950 -8.7844 -8.7844 -2.5608 -2.5608 -2.5550 -2.5550 -2.4336 -2.4336 -1.7275 -1.7275 -0.2809 -0.2809 0.5863 0.5863 0.7528 0.7528 1.2765 1.2765 2.0178 2.0178 2.1739 2.1739 2.2671 2.2671 2.3209 2.3209 2.9430 2.9430 3.1304 3.1304 3.6012 3.6012 4.3123 4.3123 4.9480 4.9480 4.9548 4.9548 12.1947 12.1947 12.2672 12.2672 12.5092 12.5092 12.5848 12.5848 13.0956 13.0956 k =-0.5000 0.3094 0.3430 ( 4328 PWs) bands (ev): -13.5928 -13.5928 -13.4769 -13.4769 -11.0729 -11.0729 -9.7255 -9.7255 -8.9013 -8.9013 -8.7819 -8.7819 -2.6250 -2.6250 -2.5263 -2.5263 -2.3953 -2.3953 -1.7110 -1.7110 -0.3444 -0.3444 0.5519 0.5519 0.7378 0.7378 1.2687 1.2687 2.0993 2.0993 2.2075 2.2075 2.2523 2.2523 2.3093 2.3093 2.9037 2.9037 3.1221 3.1221 3.5781 3.5781 4.3391 4.3391 4.9552 4.9552 4.9668 4.9668 12.2520 12.2520 12.3568 12.3568 12.4765 12.4765 12.5752 12.5752 13.0781 13.0781 k =-0.5000 0.3094 0.3266 ( 4324 PWs) bands (ev): -13.5975 -13.5975 -13.4732 -13.4732 -11.1123 -11.1123 -9.6616 -9.6616 -8.9076 -8.9076 -8.7796 -8.7796 -2.6910 -2.6910 -2.4948 -2.4948 -2.3548 -2.3548 -1.6956 -1.6956 -0.4039 -0.4039 0.5145 0.5145 0.7203 0.7203 1.2573 1.2573 2.1825 2.1825 2.2363 2.2363 2.2419 2.2419 2.2976 2.2976 2.8642 2.8642 3.1145 3.1145 3.5559 3.5559 4.3644 4.3644 4.9625 4.9625 4.9800 4.9800 12.3045 12.3045 12.4427 12.4427 12.4525 12.4525 12.5670 12.5670 13.0711 13.0711 k =-0.5000 0.3094 0.3103 ( 4336 PWs) bands (ev): -13.6020 -13.6020 -13.4696 -13.4696 -11.1500 -11.1500 -9.5981 -9.5981 -8.9137 -8.9137 -8.7775 -8.7775 -2.7582 -2.7582 -2.4608 -2.4608 -2.3123 -2.3123 -1.6814 -1.6814 -0.4593 -0.4593 0.4738 0.4738 0.7002 0.7002 1.2437 1.2437 2.2219 2.2219 2.2629 2.2629 2.2767 2.2767 2.2862 2.2862 2.8248 2.8248 3.1074 3.1074 3.5344 3.5344 4.3881 4.3881 4.9699 4.9699 4.9943 4.9943 12.3489 12.3489 12.4102 12.4102 12.5509 12.5509 12.5611 12.5611 13.0772 13.0772 k =-0.5000 0.3094 0.2940 ( 4336 PWs) bands (ev): -13.6064 -13.6064 -13.4662 -13.4662 -11.1859 -11.1859 -9.5355 -9.5355 -8.9198 -8.9198 -8.7757 -8.7757 -2.8263 -2.8263 -2.4244 -2.4244 -2.2679 -2.2679 -1.6682 -1.6682 -0.5107 -0.5107 0.4301 0.4301 0.6773 0.6773 1.2289 1.2289 2.2069 2.2069 2.2749 2.2749 2.3039 2.3039 2.3503 2.3503 2.7863 2.7863 3.1009 3.1009 3.5136 3.5136 4.4104 4.4104 4.9774 4.9774 5.0098 5.0098 12.3752 12.3752 12.3853 12.3853 12.5553 12.5553 12.6553 12.6553 13.0983 13.0983 k =-0.5000 0.3094 0.2776 ( 4328 PWs) bands (ev): -13.6107 -13.6107 -13.4629 -13.4629 -11.2199 -11.2199 -9.4738 -9.4738 -8.9256 -8.9256 -8.7740 -8.7740 -2.8947 -2.8947 -2.3857 -2.3857 -2.2218 -2.2218 -1.6560 -1.6560 -0.5583 -0.5583 0.3835 0.3835 0.6515 0.6515 1.2136 1.2136 2.1920 2.1920 2.2646 2.2646 2.3352 2.3352 2.4303 2.4303 2.7489 2.7489 3.0949 3.0949 3.4934 3.4934 4.4311 4.4311 4.9849 4.9849 5.0262 5.0262 12.3447 12.3447 12.4065 12.4065 12.5524 12.5524 12.7620 12.7620 13.1349 13.1349 k =-0.5000 0.3094 0.2613 ( 4324 PWs) bands (ev): -13.6148 -13.6148 -13.4598 -13.4598 -11.2522 -11.2522 -9.4133 -9.4133 -8.9313 -8.9313 -8.7725 -8.7725 -2.9631 -2.9631 -2.3451 -2.3451 -2.1742 -2.1742 -1.6447 -1.6447 -0.6020 -0.6020 0.3342 0.3342 0.6230 0.6230 1.1981 1.1981 2.1776 2.1776 2.2552 2.2552 2.3653 2.3653 2.5080 2.5080 2.7130 2.7130 3.0895 3.0895 3.4739 3.4739 4.4504 4.4504 4.9924 4.9924 5.0435 5.0435 12.3136 12.3136 12.4183 12.4183 12.5515 12.5515 12.8706 12.8706 13.1858 13.1858 k =-0.5000 0.3094 0.2450 ( 4320 PWs) bands (ev): -13.6186 -13.6186 -13.4569 -13.4569 -11.2826 -11.2826 -9.3542 -9.3542 -8.9368 -8.9368 -8.7712 -8.7712 -3.0309 -3.0309 -2.3026 -2.3026 -2.1255 -2.1255 -1.6343 -1.6343 -0.6422 -0.6422 0.2824 0.2824 0.5918 0.5918 1.1829 1.1829 2.1639 2.1639 2.2467 2.2467 2.3942 2.3942 2.5824 2.5824 2.6790 2.6790 3.0845 3.0845 3.4551 3.4551 4.4682 4.4682 4.9997 4.9997 5.0617 5.0617 12.2836 12.2836 12.4212 12.4212 12.5528 12.5528 12.9798 12.9798 13.2483 13.2483 k =-0.5000 0.3094 0.2286 ( 4308 PWs) bands (ev): -13.6224 -13.6224 -13.4542 -13.4542 -11.3111 -11.3111 -9.2969 -9.2969 -8.9421 -8.9421 -8.7700 -8.7700 -3.0976 -3.0976 -2.2585 -2.2585 -2.0759 -2.0759 -1.6248 -1.6248 -0.6789 -0.6789 0.2285 0.2285 0.5580 0.5580 1.1681 1.1681 2.1509 2.1509 2.2393 2.2393 2.4218 2.4218 2.6463 2.6463 2.6537 2.6537 3.0800 3.0800 3.4370 3.4370 4.4845 4.4845 5.0068 5.0068 5.0804 5.0804 12.2550 12.2550 12.4175 12.4175 12.5565 12.5565 13.0880 13.0880 13.3193 13.3193 k =-0.5000 0.3094 0.2123 ( 4310 PWs) bands (ev): -13.6259 -13.6259 -13.4516 -13.4516 -11.3377 -11.3377 -9.2416 -9.2416 -8.9471 -8.9471 -8.7690 -8.7690 -3.1627 -3.1627 -2.2131 -2.2131 -2.0256 -2.0256 -1.6161 -1.6161 -0.7124 -0.7124 0.1729 0.1729 0.5219 0.5219 1.1540 1.1540 2.1389 2.1389 2.2330 2.2330 2.4481 2.4481 2.6168 2.6168 2.7198 2.7198 3.0758 3.0758 3.4196 3.4196 4.4995 4.4995 5.0138 5.0138 5.0995 5.0995 12.2280 12.2280 12.4094 12.4094 12.5627 12.5627 13.1929 13.1929 13.3327 13.3327 k =-0.5000 0.3094 0.1960 ( 4306 PWs) bands (ev): -13.6291 -13.6291 -13.4493 -13.4493 -11.3624 -11.3624 -9.1886 -9.1886 -8.9519 -8.9519 -8.7681 -8.7681 -3.2257 -3.2257 -2.1667 -2.1667 -1.9752 -1.9752 -1.6081 -1.6081 -0.7427 -0.7427 0.1162 0.1162 0.4838 0.4838 1.1405 1.1405 2.1280 2.1280 2.2278 2.2278 2.4730 2.4730 2.5890 2.5890 2.7820 2.7820 3.0720 3.0720 3.4031 3.4031 4.5131 4.5131 5.0204 5.0204 5.1189 5.1189 12.2026 12.2026 12.3985 12.3985 12.5714 12.5714 13.2913 13.2913 13.3130 13.3130 k =-0.5000 0.3094 0.1796 ( 4312 PWs) bands (ev): -13.6322 -13.6322 -13.4471 -13.4471 -11.3852 -11.3852 -9.1383 -9.1383 -8.9563 -8.9563 -8.7674 -8.7674 -3.2861 -3.2861 -2.1197 -2.1197 -1.9250 -1.9250 -1.6010 -1.6010 -0.7700 -0.7700 0.0588 0.0588 0.4443 0.4443 1.1280 1.1280 2.1183 2.1183 2.2237 2.2237 2.4963 2.4963 2.5634 2.5634 2.8397 2.8397 3.0685 3.0685 3.3875 3.3875 4.5254 4.5254 5.0267 5.0267 5.1382 5.1382 12.1790 12.1790 12.3863 12.3863 12.5828 12.5828 13.2928 13.2928 13.3799 13.3799 k =-0.5000 0.3094 0.1633 ( 4306 PWs) bands (ev): -13.6350 -13.6350 -13.4451 -13.4451 -11.4060 -11.4060 -9.0908 -9.0908 -8.9604 -8.9604 -8.7667 -8.7667 -3.3433 -3.3433 -2.0726 -2.0726 -1.8755 -1.8755 -1.5945 -1.5945 -0.7945 -0.7945 0.0014 0.0014 0.4038 0.4038 1.1163 1.1163 2.1098 2.1098 2.2204 2.2204 2.5179 2.5179 2.5401 2.5401 2.8925 2.8925 3.0653 3.0653 3.3729 3.3729 4.5364 4.5364 5.0326 5.0326 5.1573 5.1573 12.1573 12.1573 12.3737 12.3737 12.5969 12.5969 13.2730 13.2730 13.4544 13.4544 k =-0.5000 0.3094 0.1470 ( 4306 PWs) bands (ev): -13.6376 -13.6376 -13.4433 -13.4433 -11.4249 -11.4249 -9.0467 -9.0467 -8.9642 -8.9642 -8.7662 -8.7662 -3.3969 -3.3969 -2.0259 -2.0259 -1.8272 -1.8272 -1.5887 -1.5887 -0.8162 -0.8162 -0.0553 -0.0553 0.3630 0.3630 1.1056 1.1056 2.1026 2.1026 2.2180 2.2180 2.5187 2.5187 2.5380 2.5380 2.9405 2.9405 3.0623 3.0623 3.3594 3.3594 4.5462 4.5462 5.0382 5.0382 5.1757 5.1757 12.1374 12.1374 12.3612 12.3612 12.6138 12.6138 13.2536 13.2536 13.5124 13.5124 k =-0.5000 0.3094 0.1306 ( 4298 PWs) bands (ev): -13.6400 -13.6400 -13.4416 -13.4416 -11.4419 -11.4419 -9.0061 -9.0061 -8.9677 -8.9677 -8.7657 -8.7657 -3.4463 -3.4463 -1.9802 -1.9802 -1.7808 -1.7808 -1.5836 -1.5836 -0.8354 -0.8354 -0.1104 -0.1104 0.3228 0.3228 1.0960 1.0960 2.0965 2.0965 2.2163 2.2163 2.4997 2.4997 2.5560 2.5560 2.9835 2.9835 3.0596 3.0596 3.3471 3.3471 4.5549 4.5549 5.0432 5.0432 5.1933 5.1933 12.1196 12.1196 12.3495 12.3495 12.6333 12.6333 13.2351 13.2351 13.4946 13.4946 k =-0.5000 0.3094 0.1143 ( 4302 PWs) bands (ev): -13.6421 -13.6421 -13.4402 -13.4402 -11.4568 -11.4568 -8.9711 -8.9711 -8.9690 -8.9690 -8.7654 -8.7654 -3.4912 -3.4912 -1.9362 -1.9362 -1.7370 -1.7370 -1.5791 -1.5791 -0.8520 -0.8520 -0.1632 -0.1632 0.2838 0.2838 1.0874 1.0874 2.0916 2.0916 2.2152 2.2152 2.4829 2.4829 2.5722 2.5722 3.0214 3.0214 3.0572 3.0572 3.3360 3.3360 4.5623 4.5623 5.0477 5.0477 5.2097 5.2097 12.1039 12.1039 12.3387 12.3387 12.6555 12.6555 13.2178 13.2178 13.4282 13.4282 k =-0.5000 0.3094 0.0980 ( 4306 PWs) bands (ev): -13.6439 -13.6439 -13.4390 -13.4390 -11.4698 -11.4698 -8.9735 -8.9735 -8.9368 -8.9368 -8.7650 -8.7650 -3.5311 -3.5311 -1.8948 -1.8948 -1.6965 -1.6965 -1.5753 -1.5753 -0.8663 -0.8663 -0.2125 -0.2125 0.2472 0.2472 1.0799 1.0799 2.0877 2.0877 2.2145 2.2145 2.4683 2.4683 2.5863 2.5863 3.0537 3.0537 3.0556 3.0556 3.3262 3.3262 4.5687 4.5687 5.0517 5.0517 5.2246 5.2246 12.0901 12.0901 12.3291 12.3291 12.6800 12.6800 13.2021 13.2021 13.3643 13.3643 k =-0.5000 0.3094 0.0817 ( 4294 PWs) bands (ev): -13.6454 -13.6454 -13.4379 -13.4379 -11.4808 -11.4808 -8.9758 -8.9758 -8.9087 -8.9087 -8.7648 -8.7648 -3.5655 -3.5655 -1.8570 -1.8570 -1.6601 -1.6601 -1.5720 -1.5720 -0.8782 -0.8782 -0.2572 -0.2572 0.2138 0.2138 1.0735 1.0735 2.0847 2.0847 2.2142 2.2142 2.4559 2.4559 2.5984 2.5984 3.0532 3.0532 3.0821 3.0821 3.3178 3.3178 4.5741 4.5741 5.0552 5.0552 5.2377 5.2377 12.0785 12.0785 12.3208 12.3208 12.7064 12.7064 13.1882 13.1882 13.3038 13.3038 k =-0.5000 0.3094 0.0653 ( 4288 PWs) bands (ev): -13.6467 -13.6467 -13.4370 -13.4370 -11.4898 -11.4898 -8.9776 -8.9776 -8.8854 -8.8854 -8.7646 -8.7646 -3.5942 -3.5942 -1.8239 -1.8239 -1.6289 -1.6289 -1.5694 -1.5694 -0.8879 -0.8879 -0.2962 -0.2962 0.1846 0.1846 1.0682 1.0682 2.0824 2.0824 2.2141 2.2141 2.4456 2.4456 2.6084 2.6084 3.0516 3.0516 3.1048 3.1048 3.3109 3.3109 4.5784 4.5784 5.0580 5.0580 5.2489 5.2489 12.0690 12.0690 12.3140 12.3140 12.7339 12.7339 13.1762 13.1762 13.2481 13.2481 k =-0.5000 0.3094 0.0490 ( 4286 PWs) bands (ev): -13.6477 -13.6477 -13.4364 -13.4364 -11.4968 -11.4968 -8.9791 -8.9791 -8.8670 -8.8670 -8.7645 -8.7645 -3.6168 -3.6168 -1.7965 -1.7965 -1.6035 -1.6035 -1.5672 -1.5672 -0.8953 -0.8953 -0.3283 -0.3283 0.1607 0.1607 1.0641 1.0641 2.0808 2.0808 2.2142 2.2142 2.4376 2.4376 2.6162 2.6162 3.0504 3.0504 3.1224 3.1224 3.3054 3.3054 4.5817 4.5817 5.0603 5.0603 5.2578 5.2578 12.0616 12.0616 12.3086 12.3086 12.7611 12.7611 13.1659 13.1659 13.1993 13.1993 k =-0.5000 0.3094 0.0327 ( 4300 PWs) bands (ev): -13.6484 -13.6484 -13.4359 -13.4359 -11.5018 -11.5018 -8.9802 -8.9802 -8.8537 -8.8537 -8.7643 -8.7643 -3.6332 -3.6332 -1.7760 -1.7760 -1.5850 -1.5850 -1.5654 -1.5654 -0.9006 -0.9006 -0.3522 -0.3522 0.1429 0.1429 1.0612 1.0612 2.0798 2.0798 2.2143 2.2143 2.4319 2.4319 2.6218 2.6218 3.0495 3.0495 3.1350 3.1350 3.3015 3.3015 4.5841 4.5841 5.0619 5.0619 5.2643 5.2643 12.0562 12.0562 12.3047 12.3047 12.7857 12.7857 13.1510 13.1510 13.1666 13.1666 k =-0.5000 0.3094 0.0163 ( 4308 PWs) bands (ev): -13.6488 -13.6488 -13.4356 -13.4356 -11.5048 -11.5048 -8.9808 -8.9808 -8.8457 -8.8457 -8.7643 -8.7643 -3.6431 -3.6431 -1.7633 -1.7633 -1.5742 -1.5742 -1.5638 -1.5638 -0.9038 -0.9038 -0.3670 -0.3670 0.1319 0.1319 1.0594 1.0594 2.0792 2.0792 2.2143 2.2143 2.4284 2.4284 2.6252 2.6252 3.0490 3.0490 3.1425 3.1425 3.2991 3.2991 4.5855 4.5855 5.0629 5.0629 5.2683 5.2683 12.0531 12.0531 12.3024 12.3024 12.8036 12.8036 13.1270 13.1270 13.1587 13.1587 k =-0.5000 0.3094 0.0000 ( 4302 PWs) bands (ev): -13.6490 -13.6490 -13.4355 -13.4355 -11.5059 -11.5059 -8.9810 -8.9810 -8.8430 -8.8430 -8.7643 -8.7643 -3.6464 -3.6464 -1.7589 -1.7589 -1.5710 -1.5710 -1.5628 -1.5628 -0.9049 -0.9049 -0.3720 -0.3720 0.1282 0.1282 1.0589 1.0589 2.0790 2.0790 2.2144 2.2144 2.4273 2.4273 2.6263 2.6263 3.0488 3.0488 3.1450 3.1450 3.2983 3.2983 4.5860 4.5860 5.0632 5.0632 5.2696 5.2696 12.0520 12.0520 12.3016 12.3016 12.8104 12.8104 13.1174 13.1174 13.1569 13.1569 k = 0.0000 0.0000 0.5389 ( 4340 PWs) bands (ev): -13.6609 -13.6609 -13.6609 -13.6609 -10.0602 -10.0602 -10.0602 -10.0602 -8.8333 -8.8333 -8.8333 -8.8333 -4.1092 -4.1092 -4.1092 -4.1092 -0.6212 -0.6212 -0.6212 -0.6212 -0.1140 -0.1140 -0.1140 -0.1140 0.7527 0.7527 0.7527 0.7527 1.9381 1.9381 1.9381 1.9381 2.5113 2.5113 2.5113 2.5113 3.5820 3.5820 3.5820 3.5820 4.0493 4.0493 4.0493 4.0493 5.3407 5.3407 5.3407 5.3407 11.5146 11.5146 11.5146 11.5146 12.1195 12.1195 12.1195 12.1195 12.8772 12.8772 k =-0.0139 0.0086 0.5389 ( 4336 PWs) bands (ev): -13.6607 -13.6607 -13.6607 -13.6607 -10.0611 -10.0611 -10.0610 -10.0610 -8.8333 -8.8333 -8.8332 -8.8332 -4.1076 -4.1076 -4.1073 -4.1073 -0.6238 -0.6238 -0.6236 -0.6236 -0.1121 -0.1121 -0.1118 -0.1118 0.7538 0.7538 0.7539 0.7539 1.9346 1.9346 1.9349 1.9349 2.5138 2.5138 2.5142 2.5142 3.5811 3.5811 3.5812 3.5812 4.0480 4.0480 4.0481 4.0481 5.3404 5.3404 5.3404 5.3404 11.5142 11.5142 11.5145 11.5145 12.1216 12.1216 12.1223 12.1223 12.8776 12.8776 k =-0.0278 0.0172 0.5389 ( 4330 PWs) bands (ev): -13.6600 -13.6600 -13.6600 -13.6600 -10.0637 -10.0637 -10.0636 -10.0636 -8.8332 -8.8332 -8.8329 -8.8329 -4.1025 -4.1025 -4.1019 -4.1019 -0.6316 -0.6316 -0.6312 -0.6312 -0.1061 -0.1061 -0.1056 -0.1056 0.7572 0.7572 0.7575 0.7575 1.9247 1.9247 1.9253 1.9253 2.5215 2.5215 2.5223 2.5223 3.5787 3.5787 3.5789 3.5789 4.0441 4.0441 4.0444 4.0444 5.3395 5.3395 5.3396 5.3396 11.5131 11.5131 11.5137 11.5137 12.1283 12.1283 12.1297 12.1297 12.8791 12.8791 k =-0.0417 0.0258 0.5389 ( 4328 PWs) bands (ev): -13.6589 -13.6589 -13.6588 -13.6588 -10.0679 -10.0679 -10.0678 -10.0678 -8.8329 -8.8329 -8.8325 -8.8325 -4.0940 -4.0940 -4.0932 -4.0932 -0.6440 -0.6440 -0.6435 -0.6435 -0.0964 -0.0964 -0.0957 -0.0957 0.7629 0.7629 0.7633 0.7633 1.9088 1.9088 1.9097 1.9097 2.5339 2.5339 2.5350 2.5350 3.5747 3.5747 3.5750 3.5750 4.0377 4.0377 4.0382 4.0382 5.3380 5.3380 5.3380 5.3380 11.5117 11.5117 11.5126 11.5126 12.1395 12.1395 12.1416 12.1416 12.8815 12.8816 k =-0.0556 0.0344 0.5389 ( 4320 PWs) bands (ev): -13.6573 -13.6573 -13.6573 -13.6573 -10.0739 -10.0739 -10.0737 -10.0737 -8.8326 -8.8326 -8.8320 -8.8320 -4.0821 -4.0821 -4.0810 -4.0810 -0.6609 -0.6609 -0.6602 -0.6602 -0.0833 -0.0833 -0.0824 -0.0824 0.7708 0.7708 0.7713 0.7713 1.8878 1.8878 1.8889 1.8889 2.5501 2.5501 2.5515 2.5515 3.5691 3.5691 3.5695 3.5695 4.0292 4.0292 4.0298 4.0298 5.3357 5.3357 5.3358 5.3358 11.5101 11.5101 11.5113 11.5113 12.1549 12.1549 12.1576 12.1576 12.8850 12.8850 k =-0.0694 0.0430 0.5389 ( 4320 PWs) bands (ev): -13.6553 -13.6553 -13.6552 -13.6552 -10.0814 -10.0814 -10.0812 -10.0812 -8.8321 -8.8321 -8.8314 -8.8314 -4.0668 -4.0668 -4.0654 -4.0654 -0.6817 -0.6817 -0.6808 -0.6808 -0.0672 -0.0672 -0.0661 -0.0661 0.7808 0.7808 0.7815 0.7815 1.8623 1.8623 1.8636 1.8636 2.5695 2.5695 2.5711 2.5711 3.5619 3.5619 3.5624 3.5624 4.0186 4.0186 4.0194 4.0194 5.3327 5.3327 5.3328 5.3328 11.5087 11.5087 11.5101 11.5101 12.1740 12.1740 12.1773 12.1773 12.8894 12.8894 k =-0.0833 0.0516 0.5389 ( 4322 PWs) bands (ev): -13.6529 -13.6529 -13.6528 -13.6528 -10.0904 -10.0904 -10.0901 -10.0901 -8.8315 -8.8315 -8.8307 -8.8307 -4.0481 -4.0481 -4.0465 -4.0465 -0.7060 -0.7060 -0.7050 -0.7050 -0.0486 -0.0486 -0.0474 -0.0474 0.7930 0.7930 0.7938 0.7938 1.8332 1.8332 1.8346 1.8346 2.5911 2.5911 2.5930 2.5930 3.5532 3.5532 3.5537 3.5537 4.0062 4.0062 4.0072 4.0072 5.3287 5.3287 5.3288 5.3288 11.5077 11.5077 11.5093 11.5093 12.1965 12.1965 12.2004 12.2004 12.8947 12.8947 k =-0.0972 0.0602 0.5389 ( 4326 PWs) bands (ev): -13.6501 -13.6501 -13.6499 -13.6499 -10.1008 -10.1008 -10.1005 -10.1005 -8.8309 -8.8309 -8.8300 -8.8300 -4.0262 -4.0262 -4.0243 -4.0243 -0.7333 -0.7333 -0.7322 -0.7322 -0.0277 -0.0277 -0.0264 -0.0264 0.8072 0.8072 0.8081 0.8081 1.8011 1.8011 1.8026 1.8026 2.6143 2.6143 2.6164 2.6164 3.5429 3.5429 3.5435 3.5435 3.9924 3.9924 3.9936 3.9936 5.3237 5.3237 5.3238 5.3238 11.5075 11.5075 11.5092 11.5092 12.2217 12.2217 12.2263 12.2263 12.9009 12.9009 k =-0.1111 0.0688 0.5389 ( 4322 PWs) bands (ev): -13.6469 -13.6469 -13.6467 -13.6467 -10.1126 -10.1126 -10.1123 -10.1123 -8.8302 -8.8302 -8.8292 -8.8292 -4.0011 -4.0011 -3.9989 -3.9989 -0.7634 -0.7634 -0.7623 -0.7623 -0.0050 -0.0050 -0.0036 -0.0036 0.8232 0.8232 0.8243 0.8243 1.7665 1.7665 1.7682 1.7682 2.6384 2.6384 2.6407 2.6407 3.5311 3.5311 3.5318 3.5318 3.9776 3.9776 3.9789 3.9789 5.3176 5.3176 5.3176 5.3176 11.5082 11.5082 11.5100 11.5100 12.2494 12.2494 12.2545 12.2545 12.9080 12.9080 k =-0.1250 0.0773 0.5389 ( 4326 PWs) bands (ev): -13.6433 -13.6433 -13.6431 -13.6431 -10.1255 -10.1255 -10.1252 -10.1252 -8.8295 -8.8295 -8.8285 -8.8285 -3.9728 -3.9728 -3.9704 -3.9704 -0.7960 -0.7960 -0.7947 -0.7947 0.0192 0.0192 0.0207 0.0207 0.8411 0.8411 0.8423 0.8423 1.7300 1.7300 1.7318 1.7318 2.6628 2.6628 2.6652 2.6652 3.5178 3.5178 3.5186 3.5186 3.9620 3.9620 3.9634 3.9634 5.3101 5.3101 5.3102 5.3102 11.5101 11.5101 11.5120 11.5120 12.2789 12.2789 12.2846 12.2846 12.9161 12.9161 k =-0.1389 0.0859 0.5389 ( 4316 PWs) bands (ev): -13.6393 -13.6393 -13.6391 -13.6391 -10.1396 -10.1396 -10.1392 -10.1392 -8.8289 -8.8289 -8.8277 -8.8277 -3.9415 -3.9415 -3.9389 -3.9389 -0.8308 -0.8308 -0.8294 -0.8294 0.0449 0.0449 0.0464 0.0464 0.8608 0.8608 0.8620 0.8620 1.6920 1.6920 1.6939 1.6939 2.6870 2.6870 2.6895 2.6895 3.5031 3.5031 3.5040 3.5040 3.9460 3.9460 3.9476 3.9476 5.3013 5.3013 5.3015 5.3015 11.5134 11.5134 11.5153 11.5153 12.3098 12.3098 12.3161 12.3161 12.9250 12.9250 k =-0.1528 0.0945 0.5389 ( 4324 PWs) bands (ev): -13.6351 -13.6351 -13.6349 -13.6349 -10.1546 -10.1546 -10.1542 -10.1542 -8.8282 -8.8282 -8.8270 -8.8270 -3.9072 -3.9072 -3.9044 -3.9044 -0.8676 -0.8676 -0.8662 -0.8662 0.0716 0.0716 0.0732 0.0732 0.8820 0.8820 0.8834 0.8834 1.6529 1.6529 1.6548 1.6548 2.7104 2.7104 2.7131 2.7131 3.4871 3.4871 3.4880 3.4880 3.9301 3.9301 3.9319 3.9319 5.2911 5.2911 5.2914 5.2914 11.5180 11.5180 11.5200 11.5200 12.3417 12.3417 12.3485 12.3485 12.9351 12.9351 k =-0.1667 0.1031 0.5389 ( 4320 PWs) bands (ev): -13.6305 -13.6305 -13.6303 -13.6303 -10.1705 -10.1705 -10.1701 -10.1701 -8.8276 -8.8276 -8.8263 -8.8263 -3.8700 -3.8700 -3.8670 -3.8670 -0.9064 -0.9064 -0.9048 -0.9048 0.0993 0.0993 0.1009 0.1009 0.9047 0.9047 0.9062 0.9062 1.6130 1.6130 1.6150 1.6150 2.7326 2.7326 2.7355 2.7355 3.4699 3.4699 3.4709 3.4709 3.9145 3.9145 3.9164 3.9164 5.2795 5.2795 5.2798 5.2798 11.5240 11.5240 11.5261 11.5261 12.3741 12.3741 12.3815 12.3815 12.9463 12.9463 k =-0.1806 0.1117 0.5389 ( 4320 PWs) bands (ev): -13.6257 -13.6257 -13.6255 -13.6255 -10.1871 -10.1871 -10.1866 -10.1866 -8.8270 -8.8270 -8.8257 -8.8257 -3.8301 -3.8301 -3.8270 -3.8270 -0.9468 -0.9468 -0.9452 -0.9452 0.1278 0.1278 0.1294 0.1294 0.9287 0.9287 0.9303 0.9303 1.5727 1.5727 1.5749 1.5749 2.7532 2.7532 2.7562 2.7562 3.4517 3.4517 3.4528 3.4528 3.8997 3.8997 3.9017 3.9017 5.2665 5.2665 5.2669 5.2669 11.5314 11.5314 11.5336 11.5336 12.4065 12.4065 12.4144 12.4144 12.9589 12.9589 k =-0.1944 0.1203 0.5389 ( 4320 PWs) bands (ev): -13.6207 -13.6207 -13.6204 -13.6204 -10.2042 -10.2042 -10.2038 -10.2038 -8.8265 -8.8265 -8.8252 -8.8252 -3.7876 -3.7876 -3.7843 -3.7843 -0.9889 -0.9889 -0.9872 -0.9872 0.1568 0.1568 0.1584 0.1584 0.9539 0.9539 0.9557 0.9557 1.5325 1.5325 1.5347 1.5347 2.7716 2.7716 2.7747 2.7747 3.4327 3.4327 3.4339 3.4339 3.8860 3.8860 3.8880 3.8880 5.2520 5.2520 5.2525 5.2525 11.5402 11.5402 11.5424 11.5424 12.4383 12.4383 12.4468 12.4468 12.9732 12.9732 k =-0.2083 0.1289 0.5389 ( 4316 PWs) bands (ev): -13.6155 -13.6155 -13.6152 -13.6152 -10.2218 -10.2218 -10.2213 -10.2213 -8.8261 -8.8261 -8.8247 -8.8247 -3.7426 -3.7426 -3.7391 -3.7391 -1.0326 -1.0326 -1.0308 -1.0308 0.1862 0.1862 0.1878 0.1878 0.9800 0.9800 0.9819 0.9819 1.4927 1.4927 1.4951 1.4951 2.7872 2.7872 2.7905 2.7905 3.4131 3.4131 3.4145 3.4145 3.8736 3.8736 3.8757 3.8757 5.2362 5.2362 5.2368 5.2368 11.5503 11.5503 11.5525 11.5525 12.4692 12.4692 12.4782 12.4782 12.9895 12.9895 k =-0.2222 0.1375 0.5389 ( 4320 PWs) bands (ev): -13.6101 -13.6101 -13.6098 -13.6098 -10.2396 -10.2396 -10.2392 -10.2392 -8.8257 -8.8257 -8.8244 -8.8244 -3.6952 -3.6952 -3.6916 -3.6916 -1.0778 -1.0778 -1.0759 -1.0759 0.2158 0.2158 0.2174 0.2174 1.0064 1.0064 1.0085 1.0085 1.4541 1.4541 1.4566 1.4566 2.7997 2.7997 2.8030 2.8030 3.3933 3.3933 3.3948 3.3948 3.8629 3.8629 3.8650 3.8650 5.2192 5.2192 5.2199 5.2199 11.5614 11.5614 11.5637 11.5637 12.4986 12.4986 12.5081 12.5081 13.0081 13.0081 k =-0.2361 0.1461 0.5389 ( 4320 PWs) bands (ev): -13.6045 -13.6045 -13.6043 -13.6043 -10.2577 -10.2577 -10.2572 -10.2572 -8.8255 -8.8255 -8.8241 -8.8241 -3.6456 -3.6456 -3.6419 -3.6419 -1.1243 -1.1243 -1.1223 -1.1223 0.2454 0.2454 0.2471 0.2471 1.0326 1.0326 1.0349 1.0349 1.4175 1.4175 1.4202 1.4202 2.8084 2.8084 2.8119 2.8119 3.3736 3.3736 3.3753 3.3753 3.8540 3.8540 3.8561 3.8561 5.2010 5.2010 5.2018 5.2018 11.5736 11.5736 11.5758 11.5758 12.5261 12.5261 12.5359 12.5359 13.0293 13.0293 k =-0.2500 0.1547 0.5389 ( 4316 PWs) bands (ev): -13.5990 -13.5990 -13.5987 -13.5987 -10.2757 -10.2757 -10.2753 -10.2753 -8.8253 -8.8253 -8.8240 -8.8240 -3.5939 -3.5939 -3.5901 -3.5901 -1.1722 -1.1722 -1.1702 -1.1702 0.2749 0.2749 0.2767 0.2767 1.0571 1.0571 1.0597 1.0597 1.3845 1.3845 1.3873 1.3873 2.8130 2.8130 2.8165 2.8165 3.3543 3.3543 3.3562 3.3562 3.8472 3.8472 3.8493 3.8493 5.1819 5.1819 5.1828 5.1828 11.5865 11.5865 11.5888 11.5888 12.5512 12.5512 12.5613 12.5613 13.0535 13.0535 k =-0.2639 0.1633 0.5389 ( 4316 PWs) bands (ev): -13.5933 -13.5933 -13.5930 -13.5930 -10.2937 -10.2937 -10.2932 -10.2932 -8.8252 -8.8252 -8.8239 -8.8239 -3.5403 -3.5403 -3.5364 -3.5364 -1.2215 -1.2215 -1.2193 -1.2193 0.3042 0.3042 0.3059 0.3059 1.0780 1.0780 1.0809 1.0809 1.3573 1.3573 1.3603 1.3603 2.8129 2.8129 2.8164 2.8164 3.3358 3.3358 3.3379 3.3379 3.8426 3.8426 3.8447 3.8447 5.1618 5.1618 5.1628 5.1628 11.6001 11.6001 11.6024 11.6024 12.5737 12.5737 12.5841 12.5841 13.0808 13.0808 k =-0.2778 0.1719 0.5389 ( 4324 PWs) bands (ev): -13.5877 -13.5877 -13.5874 -13.5874 -10.3114 -10.3114 -10.3109 -10.3109 -8.8252 -8.8252 -8.8239 -8.8239 -3.4850 -3.4850 -3.4810 -3.4810 -1.2719 -1.2719 -1.2696 -1.2696 0.3330 0.3330 0.3347 0.3347 1.0917 1.0917 1.0949 1.0949 1.3396 1.3396 1.3427 1.3427 2.8078 2.8078 2.8114 2.8114 3.3185 3.3185 3.3206 3.3206 3.8403 3.8403 3.8423 3.8423 5.1412 5.1412 5.1422 5.1422 11.6141 11.6141 11.6165 11.6165 12.5934 12.5934 12.6040 12.6040 13.1111 13.1111 k =-0.2917 0.1805 0.5389 ( 4320 PWs) bands (ev): -13.5821 -13.5821 -13.5818 -13.5818 -10.3287 -10.3287 -10.3283 -10.3283 -8.8253 -8.8253 -8.8241 -8.8241 -3.4281 -3.4281 -3.4240 -3.4240 -1.3235 -1.3235 -1.3211 -1.3211 0.3611 0.3611 0.3629 0.3629 1.0947 1.0947 1.0979 1.0979 1.3353 1.3353 1.3383 1.3383 2.7977 2.7977 2.8012 2.8012 3.3024 3.3024 3.3047 3.3047 3.8403 3.8403 3.8422 3.8422 5.1200 5.1200 5.1212 5.1212 11.6284 11.6284 11.6308 11.6308 12.6105 12.6105 12.6211 12.6211 13.1443 13.1443 k =-0.3056 0.1891 0.5389 ( 4320 PWs) bands (ev): -13.5766 -13.5766 -13.5764 -13.5764 -10.3455 -10.3455 -10.3451 -10.3451 -8.8254 -8.8254 -8.8243 -8.8243 -3.3698 -3.3698 -3.3657 -3.3657 -1.3761 -1.3761 -1.3737 -1.3737 0.3886 0.3886 0.3905 0.3905 1.0856 1.0856 1.0887 1.0887 1.3459 1.3459 1.3485 1.3485 2.7824 2.7824 2.7858 2.7858 3.2878 3.2878 3.2902 3.2902 3.8424 3.8424 3.8443 3.8443 5.0986 5.0986 5.0998 5.0998 11.6428 11.6428 11.6453 11.6453 12.6251 12.6251 12.6356 12.6356 13.1800 13.1800 k =-0.3194 0.1977 0.5389 ( 4316 PWs) bands (ev): -13.5713 -13.5713 -13.5710 -13.5710 -10.3618 -10.3618 -10.3614 -10.3614 -8.8256 -8.8256 -8.8245 -8.8245 -3.3104 -3.3104 -3.3063 -3.3063 -1.4297 -1.4297 -1.4272 -1.4272 0.4153 0.4153 0.4172 0.4172 1.0669 1.0669 1.0698 1.0698 1.3688 1.3688 1.3710 1.3710 2.7623 2.7623 2.7655 2.7655 3.2747 3.2747 3.2771 3.2771 3.8466 3.8466 3.8483 3.8483 5.0771 5.0771 5.0783 5.0783 11.6571 11.6571 11.6596 11.6596 12.6374 12.6374 12.6477 12.6477 13.2176 13.2176 k =-0.3333 0.2063 0.5389 ( 4316 PWs) bands (ev): -13.5661 -13.5661 -13.5659 -13.5659 -10.3773 -10.3773 -10.3769 -10.3769 -8.8259 -8.8259 -8.8248 -8.8248 -3.2501 -3.2501 -3.2460 -3.2460 -1.4841 -1.4841 -1.4816 -1.4816 0.4411 0.4411 0.4430 0.4430 1.0423 1.0423 1.0450 1.0450 1.4002 1.4002 1.4020 1.4020 2.7376 2.7376 2.7407 2.7407 3.2629 3.2629 3.2653 3.2653 3.8525 3.8525 3.8542 3.8542 5.0558 5.0558 5.0570 5.0570 11.6711 11.6711 11.6736 11.6736 12.6478 12.6478 12.6578 12.6578 13.2565 13.2565 k =-0.3472 0.2149 0.5389 ( 4320 PWs) bands (ev): -13.5612 -13.5612 -13.5609 -13.5609 -10.3920 -10.3920 -10.3916 -10.3916 -8.8262 -8.8262 -8.8252 -8.8252 -3.1892 -3.1892 -3.1851 -3.1851 -1.5392 -1.5392 -1.5366 -1.5366 0.4659 0.4659 0.4678 0.4678 1.0147 1.0147 1.0173 1.0173 1.4370 1.4370 1.4386 1.4386 2.7089 2.7089 2.7118 2.7118 3.2525 3.2525 3.2548 3.2548 3.8600 3.8600 3.8616 3.8616 5.0348 5.0348 5.0361 5.0361 11.6847 11.6847 11.6872 11.6872 12.6565 12.6565 12.6661 12.6661 13.2959 13.2959 k =-0.3611 0.2234 0.5389 ( 4320 PWs) bands (ev): -13.5565 -13.5565 -13.5563 -13.5563 -10.4058 -10.4058 -10.4054 -10.4054 -8.8265 -8.8265 -8.8256 -8.8256 -3.1280 -3.1280 -3.1240 -3.1240 -1.5947 -1.5947 -1.5920 -1.5920 0.4897 0.4897 0.4917 0.4917 0.9860 0.9860 0.9885 0.9885 1.4773 1.4773 1.4788 1.4788 2.6767 2.6767 2.6794 2.6794 3.2432 3.2432 3.2454 3.2454 3.8687 3.8687 3.8702 3.8702 5.0146 5.0146 5.0158 5.0158 11.6977 11.6977 11.7001 11.7001 12.6640 12.6640 12.6731 12.6731 13.3349 13.3349 k =-0.3750 0.2320 0.5389 ( 4312 PWs) bands (ev): -13.5521 -13.5521 -13.5519 -13.5519 -10.4185 -10.4185 -10.4182 -10.4182 -8.8268 -8.8268 -8.8260 -8.8260 -3.0669 -3.0669 -3.0629 -3.0629 -1.6502 -1.6502 -1.6475 -1.6475 0.5125 0.5125 0.5145 0.5145 0.9573 0.9573 0.9598 0.9598 1.5198 1.5198 1.5212 1.5212 2.6417 2.6417 2.6443 2.6443 3.2349 3.2349 3.2370 3.2370 3.8782 3.8782 3.8796 3.8796 4.9952 4.9952 4.9964 4.9964 11.7100 11.7100 11.7123 11.7123 12.6703 12.6703 12.6789 12.6789 13.3726 13.3726 k =-0.3889 0.2406 0.5389 ( 4322 PWs) bands (ev): -13.5481 -13.5481 -13.5479 -13.5479 -10.4302 -10.4302 -10.4299 -10.4299 -8.8271 -8.8271 -8.8264 -8.8264 -3.0064 -3.0064 -3.0025 -3.0025 -1.7056 -1.7056 -1.7028 -1.7028 0.5342 0.5342 0.5362 0.5362 0.9293 0.9293 0.9317 0.9317 1.5635 1.5635 1.5649 1.5649 2.6047 2.6047 2.6071 2.6071 3.2276 3.2276 3.2295 3.2295 3.8881 3.8881 3.8894 3.8894 4.9769 4.9769 4.9781 4.9781 11.7214 11.7214 11.7235 11.7235 12.6758 12.6758 12.6837 12.6837 13.4081 13.4081 k =-0.4028 0.2492 0.5389 ( 4330 PWs) bands (ev): -13.5444 -13.5444 -13.5443 -13.5443 -10.4406 -10.4406 -10.4404 -10.4404 -8.8274 -8.8274 -8.8268 -8.8268 -2.9471 -2.9471 -2.9434 -2.9434 -1.7600 -1.7600 -1.7574 -1.7574 0.5549 0.5549 0.5569 0.5569 0.9024 0.9024 0.9048 0.9048 1.6075 1.6075 1.6088 1.6088 2.5665 2.5665 2.5687 2.5687 3.2212 3.2212 3.2229 3.2229 3.8981 3.8981 3.8992 3.8992 4.9600 4.9600 4.9611 4.9611 11.7318 11.7318 11.7338 11.7338 12.6807 12.6807 12.6878 12.6878 13.4402 13.4402 k =-0.4167 0.2578 0.5389 ( 4334 PWs) bands (ev): -13.5412 -13.5412 -13.5411 -13.5411 -10.4499 -10.4499 -10.4496 -10.4496 -8.8277 -8.8277 -8.8271 -8.8271 -2.8898 -2.8898 -2.8863 -2.8863 -1.8130 -1.8130 -1.8103 -1.8103 0.5745 0.5745 0.5765 0.5765 0.8770 0.8770 0.8794 0.8794 1.6509 1.6509 1.6522 1.6522 2.5280 2.5280 2.5300 2.5300 3.2157 3.2157 3.2171 3.2171 3.9077 3.9077 3.9087 3.9087 4.9447 4.9447 4.9457 4.9457 11.7411 11.7411 11.7429 11.7429 12.6849 12.6849 12.6912 12.6912 13.4681 13.4681 k =-0.4306 0.2664 0.5389 ( 4346 PWs) bands (ev): -13.5384 -13.5384 -13.5383 -13.5383 -10.4578 -10.4578 -10.4576 -10.4576 -8.8280 -8.8280 -8.8275 -8.8275 -2.8356 -2.8356 -2.8323 -2.8323 -1.8633 -1.8633 -1.8608 -1.8608 0.5929 0.5929 0.5949 0.5949 0.8534 0.8534 0.8557 0.8557 1.6927 1.6927 1.6939 1.6939 2.4904 2.4904 2.4921 2.4921 3.2109 3.2109 3.2121 3.2121 3.9166 3.9166 3.9174 3.9174 4.9313 4.9313 4.9322 4.9322 11.7492 11.7492 11.7507 11.7507 12.6885 12.6885 12.6939 12.6939 13.4909 13.4909 k =-0.4444 0.2750 0.5389 ( 4348 PWs) bands (ev): -13.5361 -13.5361 -13.5360 -13.5360 -10.4643 -10.4643 -10.4641 -10.4641 -8.8282 -8.8282 -8.8278 -8.8278 -2.7859 -2.7859 -2.7830 -2.7830 -1.9096 -1.9096 -1.9073 -1.9073 0.6099 0.6099 0.6118 0.6118 0.8321 0.8321 0.8342 0.8342 1.7313 1.7313 1.7324 1.7324 2.4550 2.4550 2.4566 2.4566 3.2071 3.2071 3.2080 3.2080 3.9244 3.9244 3.9250 3.9250 4.9200 4.9200 4.9207 4.9207 11.7559 11.7559 11.7572 11.7572 12.6917 12.6917 12.6961 12.6961 13.5084 13.5084 k =-0.4583 0.2836 0.5389 ( 4348 PWs) bands (ev): -13.5343 -13.5343 -13.5342 -13.5342 -10.4694 -10.4694 -10.4693 -10.4693 -8.8283 -8.8283 -8.8280 -8.8280 -2.7427 -2.7427 -2.7403 -2.7403 -1.9499 -1.9499 -1.9480 -1.9480 0.6252 0.6252 0.6268 0.6268 0.8135 0.8135 0.8153 0.8153 1.7651 1.7651 1.7660 1.7660 2.4239 2.4239 2.4251 2.4251 3.2041 3.2041 3.2048 3.2048 3.9308 3.9308 3.9313 3.9313 4.9110 4.9110 4.9116 4.9116 11.7613 11.7613 11.7623 11.7623 12.6943 12.6943 12.6977 12.6977 13.5207 13.5207 k =-0.4722 0.2922 0.5389 ( 4352 PWs) bands (ev): -13.5329 -13.5329 -13.5329 -13.5329 -10.4731 -10.4731 -10.4730 -10.4730 -8.8284 -8.8284 -8.8282 -8.8282 -2.7085 -2.7085 -2.7068 -2.7068 -1.9817 -1.9817 -1.9803 -1.9803 0.6378 0.6378 0.6392 0.6392 0.7985 0.7985 0.8000 0.8000 1.7920 1.7920 1.7927 1.7927 2.3990 2.3990 2.3999 2.3999 3.2020 3.2020 3.2024 3.2024 3.9356 3.9356 3.9359 3.9359 4.9045 4.9045 4.9048 4.9048 11.7652 11.7652 11.7659 11.7659 12.6964 12.6964 12.6987 12.6987 13.5287 13.5287 k =-0.4861 0.3008 0.5389 ( 4356 PWs) bands (ev): -13.5321 -13.5321 -13.5321 -13.5321 -10.4753 -10.4753 -10.4753 -10.4753 -8.8285 -8.8285 -8.8284 -8.8284 -2.6862 -2.6862 -2.6853 -2.6853 -2.0023 -2.0023 -2.0015 -2.0015 0.6467 0.6467 0.6474 0.6474 0.7887 0.7887 0.7895 0.7895 1.8095 1.8095 1.8099 1.8099 2.3828 2.3828 2.3833 2.3833 3.2007 3.2007 3.2010 3.2010 3.9386 3.9386 3.9388 3.9388 4.9005 4.9005 4.9007 4.9007 11.7677 11.7677 11.7680 11.7680 12.6979 12.6979 12.6990 12.6990 13.5333 13.5334 k =-0.5000 0.3094 0.5389 ( 4344 PWs) bands (ev): -13.5318 -13.5318 -13.5318 -13.5318 -10.4760 -10.4760 -10.4760 -10.4760 -8.8284 -8.8284 -8.8284 -8.8284 -2.6781 -2.6781 -2.6781 -2.6781 -2.0092 -2.0092 -2.0092 -2.0092 0.6502 0.6502 0.6502 0.6502 0.7854 0.7854 0.7854 0.7854 1.8157 1.8157 1.8157 1.8157 2.3774 2.3774 2.3774 2.3774 3.2004 3.2004 3.2004 3.2004 3.9396 3.9396 3.9396 3.9396 4.8993 4.8993 4.8993 4.8993 11.7686 11.7686 11.7686 11.7686 12.6988 12.6988 12.6988 12.6988 13.5353 13.5353 Writing output data file Si2N2O.save init_run : 2.93s CPU 13.17s WALL ( 1 calls) electrons : 1485.10s CPU 1503.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.48s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 1485.05s CPU 1503.33s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.77s WALL ( 1 calls) v_h : 0.02s CPU 0.06s WALL ( 1 calls) v_xc : 0.18s CPU 0.53s WALL ( 1 calls) newd : 0.56s CPU 0.64s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.16s WALL ( 374 calls) cegterg : 1168.85s CPU 1176.11s WALL ( 1204 calls) Called by sum_band: Called by *egterg: h_psi : 413.90s CPU 426.93s WALL ( 23004 calls) s_psi : 67.05s CPU 67.37s WALL ( 23004 calls) g_psi : 0.92s CPU 1.01s WALL ( 21426 calls) cdiaghg : 531.43s CPU 526.32s WALL ( 21800 calls) cegterg:over : 86.93s CPU 83.29s WALL ( 21426 calls) cegterg:upda : 20.34s CPU 26.26s WALL ( 21426 calls) cegterg:last : 15.89s CPU 17.01s WALL ( 2712 calls) Called by h_psi: h_psi:vloc : 275.77s CPU 286.31s WALL ( 23004 calls) h_psi:vnl : 137.58s CPU 139.46s WALL ( 23004 calls) add_vuspsi : 49.91s CPU 56.67s WALL ( 23004 calls) General routines calbec : 87.58s CPU 82.64s WALL ( 23004 calls) fft : 0.37s CPU 1.00s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 257.92s CPU 265.14s WALL ( 1796308 calls) interpolate : 0.18s CPU 0.22s WALL ( 4 calls) davcio : 0.04s CPU 12.60s WALL ( 748 calls) Parallel routines fft_scatter : 161.42s CPU 165.93s WALL ( 1796331 calls) PWSCF : 27m21.67s CPU 30m38.26s WALL This run was terminated on: 4:51:14 5Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=