Program PWSCF v.5.1.1 starts on 28Nov2015 at 20: 7:42 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 1630 719 111 Max 47 28 8 1635 728 116 Sum 2243 1303 379 78355 34697 5463 bravais-lattice index = 14 lattice parameter (alat) = 9.8486 a.u. unit-cell volume = 795.3163 (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)= 9.848649 celldm(2)= 1.000000 celldm(3)= 0.929124 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.443938 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.443938 0.896058 0.000000 ) a(3) = ( 0.000000 0.000000 0.929124 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.495434 -0.000000 ) b(2) = ( 0.000000 1.116000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.076282 ) 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 ) ( -0.4645622 ) 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) = ( 0.0086569 0.0139500 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0173138 0.0279000 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259707 0.0418500 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0346275 0.0558000 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0432844 0.0697500 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0519413 0.0837000 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0605982 0.0976500 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0692551 0.1115999 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0779120 0.1255499 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0865688 0.1394999 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0952257 0.1534499 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1038826 0.1673999 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1125395 0.1813499 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1211964 0.1952999 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1298533 0.2092499 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1385101 0.2231999 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1471670 0.2371499 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1558239 0.2510999 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1644808 0.2650499 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1731377 0.2789999 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1817946 0.2929499 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1904514 0.3068999 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1991083 0.3208499 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2077652 0.3347998 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2164221 0.3487499 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2250790 0.3626998 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2337359 0.3766498 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2423928 0.3905998 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2510496 0.4045498 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2597065 0.4184998 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2683634 0.4324498 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2770203 0.4463998 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2856772 0.4603498 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2943341 0.4742998 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3029909 0.4882498 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3116478 0.5021998 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3203047 0.5161498 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3289616 0.5300998 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3376185 0.5440498 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3462754 0.5579998 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3462754 0.5579998 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3297861 0.5579998 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3132968 0.5579998 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2968075 0.5579998 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2803182 0.5579998 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2638289 0.5579997 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2473395 0.5579998 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2308503 0.5579998 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2143609 0.5579997 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1978716 0.5579997 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1813823 0.5579998 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1648930 0.5579998 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1484037 0.5579998 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1319144 0.5579998 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1154251 0.5579998 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0989358 0.5579998 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0824465 0.5579998 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0659572 0.5579998 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0494679 0.5579998 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329786 0.5579998 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164893 0.5579998 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5579998 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5579998 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5579998 0.0163073), wk = 0.0026738 k( 66) = ( 0.0000000 0.5579998 0.0326146), wk = 0.0026738 k( 67) = ( 0.0000000 0.5579998 0.0489219), wk = 0.0026738 k( 68) = ( 0.0000000 0.5579998 0.0652292), wk = 0.0026738 k( 69) = ( 0.0000000 0.5579998 0.0815365), wk = 0.0026738 k( 70) = ( 0.0000000 0.5579998 0.0978438), wk = 0.0026738 k( 71) = ( 0.0000000 0.5579998 0.1141511), wk = 0.0026738 k( 72) = ( 0.0000000 0.5579998 0.1304584), wk = 0.0026738 k( 73) = ( 0.0000000 0.5579998 0.1467658), wk = 0.0026738 k( 74) = ( 0.0000000 0.5579998 0.1630731), wk = 0.0026738 k( 75) = ( 0.0000000 0.5579998 0.1793804), wk = 0.0026738 k( 76) = ( 0.0000000 0.5579998 0.1956877), wk = 0.0026738 k( 77) = ( 0.0000000 0.5579998 0.2119950), wk = 0.0026738 k( 78) = ( 0.0000000 0.5579998 0.2283023), wk = 0.0026738 k( 79) = ( 0.0000000 0.5579998 0.2446096), wk = 0.0026738 k( 80) = ( 0.0000000 0.5579998 0.2609169), wk = 0.0026738 k( 81) = ( 0.0000000 0.5579998 0.2772242), wk = 0.0026738 k( 82) = ( 0.0000000 0.5579998 0.2935315), wk = 0.0026738 k( 83) = ( 0.0000000 0.5579998 0.3098388), wk = 0.0026738 k( 84) = ( 0.0000000 0.5579998 0.3261461), wk = 0.0026738 k( 85) = ( 0.0000000 0.5579998 0.3424534), wk = 0.0026738 k( 86) = ( 0.0000000 0.5579998 0.3587607), wk = 0.0026738 k( 87) = ( 0.0000000 0.5579998 0.3750680), wk = 0.0026738 k( 88) = ( 0.0000000 0.5579998 0.3913753), wk = 0.0026738 k( 89) = ( 0.0000000 0.5579998 0.4076826), wk = 0.0026738 k( 90) = ( 0.0000000 0.5579998 0.4239899), wk = 0.0026738 k( 91) = ( 0.0000000 0.5579998 0.4402972), wk = 0.0026738 k( 92) = ( 0.0000000 0.5579998 0.4566045), wk = 0.0026738 k( 93) = ( 0.0000000 0.5579998 0.4729119), wk = 0.0026738 k( 94) = ( 0.0000000 0.5579998 0.4892192), wk = 0.0026738 k( 95) = ( 0.0000000 0.5579998 0.5055265), wk = 0.0026738 k( 96) = ( 0.0000000 0.5579998 0.5218338), wk = 0.0026738 k( 97) = ( 0.0000000 0.5579998 0.5381411), wk = 0.0026738 k( 98) = ( 0.0000000 0.5579998 0.5381411), wk = 0.0026738 k( 99) = ( 0.0164893 0.5579998 0.5381411), wk = 0.0026738 k( 100) = ( 0.0329786 0.5579998 0.5381411), wk = 0.0026738 k( 101) = ( 0.0494679 0.5579998 0.5381411), wk = 0.0026738 k( 102) = ( 0.0659572 0.5579998 0.5381411), wk = 0.0026738 k( 103) = ( 0.0824465 0.5579998 0.5381411), wk = 0.0026738 k( 104) = ( 0.0989358 0.5579998 0.5381411), wk = 0.0026738 k( 105) = ( 0.1154251 0.5579998 0.5381411), wk = 0.0026738 k( 106) = ( 0.1319144 0.5579998 0.5381411), wk = 0.0026738 k( 107) = ( 0.1484037 0.5579998 0.5381411), wk = 0.0026738 k( 108) = ( 0.1648930 0.5579998 0.5381411), wk = 0.0026738 k( 109) = ( 0.1813823 0.5579998 0.5381411), wk = 0.0026738 k( 110) = ( 0.1978716 0.5579997 0.5381411), wk = 0.0026738 k( 111) = ( 0.2143609 0.5579997 0.5381411), wk = 0.0026738 k( 112) = ( 0.2308503 0.5579998 0.5381411), wk = 0.0026738 k( 113) = ( 0.2473395 0.5579998 0.5381411), wk = 0.0026738 k( 114) = ( 0.2638289 0.5579997 0.5381411), wk = 0.0026738 k( 115) = ( 0.2803182 0.5579998 0.5381411), wk = 0.0026738 k( 116) = ( 0.2968075 0.5579998 0.5381411), wk = 0.0026738 k( 117) = ( 0.3132968 0.5579998 0.5381411), wk = 0.0026738 k( 118) = ( 0.3297861 0.5579998 0.5381411), wk = 0.0026738 k( 119) = ( 0.3462754 0.5579998 0.5381411), wk = 0.0026738 k( 120) = ( 0.3462754 0.5579998 0.5381411), wk = 0.0026738 k( 121) = ( 0.3376185 0.5440498 0.5381411), wk = 0.0026738 k( 122) = ( 0.3289616 0.5300998 0.5381411), wk = 0.0026738 k( 123) = ( 0.3203047 0.5161498 0.5381411), wk = 0.0026738 k( 124) = ( 0.3116478 0.5021998 0.5381411), wk = 0.0026738 k( 125) = ( 0.3029909 0.4882498 0.5381411), wk = 0.0026738 k( 126) = ( 0.2943341 0.4742998 0.5381411), wk = 0.0026738 k( 127) = ( 0.2856772 0.4603498 0.5381411), wk = 0.0026738 k( 128) = ( 0.2770203 0.4463998 0.5381411), wk = 0.0026738 k( 129) = ( 0.2683634 0.4324498 0.5381411), wk = 0.0026738 k( 130) = ( 0.2597065 0.4184998 0.5381411), wk = 0.0026738 k( 131) = ( 0.2510496 0.4045498 0.5381411), wk = 0.0026738 k( 132) = ( 0.2423928 0.3905998 0.5381411), wk = 0.0026738 k( 133) = ( 0.2337359 0.3766498 0.5381411), wk = 0.0026738 k( 134) = ( 0.2250790 0.3626998 0.5381411), wk = 0.0026738 k( 135) = ( 0.2164221 0.3487499 0.5381411), wk = 0.0026738 k( 136) = ( 0.2077652 0.3347998 0.5381411), wk = 0.0026738 k( 137) = ( 0.1991083 0.3208499 0.5381411), wk = 0.0026738 k( 138) = ( 0.1904514 0.3068999 0.5381411), wk = 0.0026738 k( 139) = ( 0.1817946 0.2929499 0.5381411), wk = 0.0026738 k( 140) = ( 0.1731377 0.2789999 0.5381411), wk = 0.0026738 k( 141) = ( 0.1644808 0.2650499 0.5381411), wk = 0.0026738 k( 142) = ( 0.1558239 0.2510999 0.5381411), wk = 0.0026738 k( 143) = ( 0.1471670 0.2371499 0.5381411), wk = 0.0026738 k( 144) = ( 0.1385101 0.2231999 0.5381411), wk = 0.0026738 k( 145) = ( 0.1298533 0.2092499 0.5381411), wk = 0.0026738 k( 146) = ( 0.1211964 0.1952999 0.5381411), wk = 0.0026738 k( 147) = ( 0.1125395 0.1813499 0.5381411), wk = 0.0026738 k( 148) = ( 0.1038826 0.1673999 0.5381411), wk = 0.0026738 k( 149) = ( 0.0952257 0.1534499 0.5381411), wk = 0.0026738 k( 150) = ( 0.0865688 0.1394999 0.5381411), wk = 0.0026738 k( 151) = ( 0.0779120 0.1255499 0.5381411), wk = 0.0026738 k( 152) = ( 0.0692551 0.1115999 0.5381411), wk = 0.0026738 k( 153) = ( 0.0605982 0.0976500 0.5381411), wk = 0.0026738 k( 154) = ( 0.0519413 0.0837000 0.5381411), wk = 0.0026738 k( 155) = ( 0.0432844 0.0697500 0.5381411), wk = 0.0026738 k( 156) = ( 0.0346275 0.0558000 0.5381411), wk = 0.0026738 k( 157) = ( 0.0259707 0.0418500 0.5381411), wk = 0.0026738 k( 158) = ( 0.0173138 0.0279000 0.5381411), wk = 0.0026738 k( 159) = ( 0.0086569 0.0139500 0.5381411), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5381411), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5381411), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5218338), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5055265), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4892192), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4729119), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4566045), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4402972), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4239899), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4076826), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3913753), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3750680), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3587607), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3424534), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3261461), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3098388), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2935315), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2772242), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2609169), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2446096), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2283023), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2119950), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1956877), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1793804), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1630731), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1467658), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1304584), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1141511), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0978438), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0815365), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0652292), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489219), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326146), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163073), 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 0.0086190 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0172379 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0258569 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0344759 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0430948 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0517138 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0603328 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0689517 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0775707 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0861896 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0948086 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1034276 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1120465 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1206655 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1292845 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1379034 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1465224 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1551414 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1637603 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1723793 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1809983 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1896172 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1982362 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2068551 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2154741 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2240931 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2327120 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2413310 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2499500 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2585689 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2671879 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2758069 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2844258 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2930448 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3016638 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3102827 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3102827 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914597 0.3240448 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4829195 0.3378068 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4743792 0.3515689 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4658390 0.3653310 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4572987 0.3790930 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4487585 0.3928551 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4402182 0.4066171 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4316779 0.4203792 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4231377 0.4341412 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4145974 0.4479033 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4060572 0.4616654 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3975169 0.4754274 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3889767 0.4891895 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3804364 0.5029515 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3718961 0.5167136 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3633559 0.5304756 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3548156 0.5442377 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3462754 0.5579998 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3462754 0.5579998 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3462754 0.5579998 0.0163073), wk = 0.0026738 k( 253) = ( -0.3462754 0.5579998 0.0326146), wk = 0.0026738 k( 254) = ( -0.3462754 0.5579998 0.0489219), wk = 0.0026738 k( 255) = ( -0.3462754 0.5579998 0.0652292), wk = 0.0026738 k( 256) = ( -0.3462754 0.5579998 0.0815365), wk = 0.0026738 k( 257) = ( -0.3462754 0.5579998 0.0978438), wk = 0.0026738 k( 258) = ( -0.3462754 0.5579998 0.1141511), wk = 0.0026738 k( 259) = ( -0.3462754 0.5579998 0.1304584), wk = 0.0026738 k( 260) = ( -0.3462754 0.5579998 0.1467658), wk = 0.0026738 k( 261) = ( -0.3462754 0.5579998 0.1630731), wk = 0.0026738 k( 262) = ( -0.3462754 0.5579998 0.1793804), wk = 0.0026738 k( 263) = ( -0.3462754 0.5579998 0.1956877), wk = 0.0026738 k( 264) = ( -0.3462754 0.5579998 0.2119950), wk = 0.0026738 k( 265) = ( -0.3462754 0.5579998 0.2283023), wk = 0.0026738 k( 266) = ( -0.3462754 0.5579998 0.2446096), wk = 0.0026738 k( 267) = ( -0.3462754 0.5579998 0.2609169), wk = 0.0026738 k( 268) = ( -0.3462754 0.5579998 0.2772242), wk = 0.0026738 k( 269) = ( -0.3462754 0.5579998 0.2935315), wk = 0.0026738 k( 270) = ( -0.3462754 0.5579998 0.3098388), wk = 0.0026738 k( 271) = ( -0.3462754 0.5579998 0.3261461), wk = 0.0026738 k( 272) = ( -0.3462754 0.5579998 0.3424534), wk = 0.0026738 k( 273) = ( -0.3462754 0.5579998 0.3587607), wk = 0.0026738 k( 274) = ( -0.3462754 0.5579998 0.3750680), wk = 0.0026738 k( 275) = ( -0.3462754 0.5579998 0.3913753), wk = 0.0026738 k( 276) = ( -0.3462754 0.5579998 0.4076826), wk = 0.0026738 k( 277) = ( -0.3462754 0.5579998 0.4239899), wk = 0.0026738 k( 278) = ( -0.3462754 0.5579998 0.4402972), wk = 0.0026738 k( 279) = ( -0.3462754 0.5579998 0.4566045), wk = 0.0026738 k( 280) = ( -0.3462754 0.5579998 0.4729119), wk = 0.0026738 k( 281) = ( -0.3462754 0.5579998 0.4892192), wk = 0.0026738 k( 282) = ( -0.3462754 0.5579998 0.5055265), wk = 0.0026738 k( 283) = ( -0.3462754 0.5579998 0.5218338), wk = 0.0026738 k( 284) = ( -0.3462754 0.5579998 0.5381411), wk = 0.0026738 k( 285) = ( -0.3462754 0.5579998 0.5381411), wk = 0.0026738 k( 286) = ( -0.3548156 0.5442377 0.5381411), wk = 0.0026738 k( 287) = ( -0.3633559 0.5304756 0.5381411), wk = 0.0026738 k( 288) = ( -0.3718961 0.5167136 0.5381411), wk = 0.0026738 k( 289) = ( -0.3804364 0.5029515 0.5381411), wk = 0.0026738 k( 290) = ( -0.3889767 0.4891895 0.5381411), wk = 0.0026738 k( 291) = ( -0.3975169 0.4754274 0.5381411), wk = 0.0026738 k( 292) = ( -0.4060572 0.4616654 0.5381411), wk = 0.0026738 k( 293) = ( -0.4145974 0.4479033 0.5381411), wk = 0.0026738 k( 294) = ( -0.4231377 0.4341412 0.5381411), wk = 0.0026738 k( 295) = ( -0.4316779 0.4203792 0.5381411), wk = 0.0026738 k( 296) = ( -0.4402182 0.4066171 0.5381411), wk = 0.0026738 k( 297) = ( -0.4487585 0.3928551 0.5381411), wk = 0.0026738 k( 298) = ( -0.4572987 0.3790930 0.5381411), wk = 0.0026738 k( 299) = ( -0.4658390 0.3653310 0.5381411), wk = 0.0026738 k( 300) = ( -0.4743792 0.3515689 0.5381411), wk = 0.0026738 k( 301) = ( -0.4829195 0.3378068 0.5381411), wk = 0.0026738 k( 302) = ( -0.4914597 0.3240448 0.5381411), wk = 0.0026738 k( 303) = ( -0.5000000 0.3102827 0.5381411), wk = 0.0026738 k( 304) = ( -0.5000000 0.3102827 0.5381411), wk = 0.0026738 k( 305) = ( -0.5000000 0.3102827 0.5218338), wk = 0.0026738 k( 306) = ( -0.5000000 0.3102827 0.5055265), wk = 0.0026738 k( 307) = ( -0.5000000 0.3102827 0.4892192), wk = 0.0026738 k( 308) = ( -0.5000000 0.3102827 0.4729119), wk = 0.0026738 k( 309) = ( -0.5000000 0.3102827 0.4566045), wk = 0.0026738 k( 310) = ( -0.5000000 0.3102827 0.4402972), wk = 0.0026738 k( 311) = ( -0.5000000 0.3102827 0.4239899), wk = 0.0026738 k( 312) = ( -0.5000000 0.3102827 0.4076826), wk = 0.0026738 k( 313) = ( -0.5000000 0.3102827 0.3913753), wk = 0.0026738 k( 314) = ( -0.5000000 0.3102827 0.3750680), wk = 0.0026738 k( 315) = ( -0.5000000 0.3102827 0.3587607), wk = 0.0026738 k( 316) = ( -0.5000000 0.3102827 0.3424534), wk = 0.0026738 k( 317) = ( -0.5000000 0.3102827 0.3261461), wk = 0.0026738 k( 318) = ( -0.5000000 0.3102827 0.3098388), wk = 0.0026738 k( 319) = ( -0.5000000 0.3102827 0.2935315), wk = 0.0026738 k( 320) = ( -0.5000000 0.3102827 0.2772242), wk = 0.0026738 k( 321) = ( -0.5000000 0.3102827 0.2609169), wk = 0.0026738 k( 322) = ( -0.5000000 0.3102827 0.2446096), wk = 0.0026738 k( 323) = ( -0.5000000 0.3102827 0.2283023), wk = 0.0026738 k( 324) = ( -0.5000000 0.3102827 0.2119950), wk = 0.0026738 k( 325) = ( -0.5000000 0.3102827 0.1956877), wk = 0.0026738 k( 326) = ( -0.5000000 0.3102827 0.1793804), wk = 0.0026738 k( 327) = ( -0.5000000 0.3102827 0.1630731), wk = 0.0026738 k( 328) = ( -0.5000000 0.3102827 0.1467658), wk = 0.0026738 k( 329) = ( -0.5000000 0.3102827 0.1304584), wk = 0.0026738 k( 330) = ( -0.5000000 0.3102827 0.1141511), wk = 0.0026738 k( 331) = ( -0.5000000 0.3102827 0.0978438), wk = 0.0026738 k( 332) = ( -0.5000000 0.3102827 0.0815365), wk = 0.0026738 k( 333) = ( -0.5000000 0.3102827 0.0652292), wk = 0.0026738 k( 334) = ( -0.5000000 0.3102827 0.0489219), wk = 0.0026738 k( 335) = ( -0.5000000 0.3102827 0.0326146), wk = 0.0026738 k( 336) = ( -0.5000000 0.3102827 0.0163073), wk = 0.0026738 k( 337) = ( -0.5000000 0.3102827 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5381411), wk = 0.0026738 k( 339) = ( -0.0138889 0.0086190 0.5381411), wk = 0.0026738 k( 340) = ( -0.0277778 0.0172379 0.5381411), wk = 0.0026738 k( 341) = ( -0.0416667 0.0258569 0.5381411), wk = 0.0026738 k( 342) = ( -0.0555556 0.0344759 0.5381411), wk = 0.0026738 k( 343) = ( -0.0694444 0.0430948 0.5381411), wk = 0.0026738 k( 344) = ( -0.0833333 0.0517138 0.5381411), wk = 0.0026738 k( 345) = ( -0.0972222 0.0603328 0.5381411), wk = 0.0026738 k( 346) = ( -0.1111111 0.0689517 0.5381411), wk = 0.0026738 k( 347) = ( -0.1250000 0.0775707 0.5381411), wk = 0.0026738 k( 348) = ( -0.1388889 0.0861896 0.5381411), wk = 0.0026738 k( 349) = ( -0.1527778 0.0948086 0.5381411), wk = 0.0026738 k( 350) = ( -0.1666667 0.1034276 0.5381411), wk = 0.0026738 k( 351) = ( -0.1805556 0.1120465 0.5381411), wk = 0.0026738 k( 352) = ( -0.1944444 0.1206655 0.5381411), wk = 0.0026738 k( 353) = ( -0.2083333 0.1292845 0.5381411), wk = 0.0026738 k( 354) = ( -0.2222222 0.1379034 0.5381411), wk = 0.0026738 k( 355) = ( -0.2361111 0.1465224 0.5381411), wk = 0.0026738 k( 356) = ( -0.2500000 0.1551414 0.5381411), wk = 0.0026738 k( 357) = ( -0.2638889 0.1637603 0.5381411), wk = 0.0026738 k( 358) = ( -0.2777778 0.1723793 0.5381411), wk = 0.0026738 k( 359) = ( -0.2916667 0.1809983 0.5381411), wk = 0.0026738 k( 360) = ( -0.3055556 0.1896172 0.5381411), wk = 0.0026738 k( 361) = ( -0.3194444 0.1982362 0.5381411), wk = 0.0026738 k( 362) = ( -0.3333333 0.2068551 0.5381411), wk = 0.0026738 k( 363) = ( -0.3472222 0.2154741 0.5381411), wk = 0.0026738 k( 364) = ( -0.3611111 0.2240931 0.5381411), wk = 0.0026738 k( 365) = ( -0.3750000 0.2327120 0.5381411), wk = 0.0026738 k( 366) = ( -0.3888889 0.2413310 0.5381411), wk = 0.0026738 k( 367) = ( -0.4027778 0.2499500 0.5381411), wk = 0.0026738 k( 368) = ( -0.4166667 0.2585689 0.5381411), wk = 0.0026738 k( 369) = ( -0.4305556 0.2671879 0.5381411), wk = 0.0026738 k( 370) = ( -0.4444444 0.2758069 0.5381411), wk = 0.0026738 k( 371) = ( -0.4583333 0.2844258 0.5381411), wk = 0.0026738 k( 372) = ( -0.4722222 0.2930448 0.5381411), wk = 0.0026738 k( 373) = ( -0.4861111 0.3016638 0.5381411), wk = 0.0026738 k( 374) = ( -0.5000000 0.3102827 0.5381411), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086569 0.0086569 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0173138 0.0173138 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259707 0.0259707 0.0000000), wk = 0.0026738 k( 5) = ( 0.0346275 0.0346275 0.0000000), wk = 0.0026738 k( 6) = ( 0.0432844 0.0432844 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0519413 0.0519413 0.0000000), wk = 0.0026738 k( 8) = ( 0.0605982 0.0605982 0.0000000), wk = 0.0026738 k( 9) = ( 0.0692551 0.0692551 0.0000000), wk = 0.0026738 k( 10) = ( 0.0779120 0.0779120 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0865688 0.0865688 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0952257 0.0952257 0.0000000), wk = 0.0026738 k( 13) = ( 0.1038826 0.1038826 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1125395 0.1125395 0.0000000), wk = 0.0026738 k( 15) = ( 0.1211964 0.1211964 0.0000000), wk = 0.0026738 k( 16) = ( 0.1298533 0.1298533 0.0000000), wk = 0.0026738 k( 17) = ( 0.1385101 0.1385101 0.0000000), wk = 0.0026738 k( 18) = ( 0.1471670 0.1471670 0.0000000), wk = 0.0026738 k( 19) = ( 0.1558239 0.1558239 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1644808 0.1644808 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1731377 0.1731377 0.0000000), wk = 0.0026738 k( 22) = ( 0.1817946 0.1817946 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1904514 0.1904514 0.0000000), wk = 0.0026738 k( 24) = ( 0.1991083 0.1991083 0.0000000), wk = 0.0026738 k( 25) = ( 0.2077652 0.2077652 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2164221 0.2164221 0.0000000), wk = 0.0026738 k( 27) = ( 0.2250790 0.2250790 0.0000000), wk = 0.0026738 k( 28) = ( 0.2337359 0.2337359 0.0000000), wk = 0.0026738 k( 29) = ( 0.2423928 0.2423928 0.0000000), wk = 0.0026738 k( 30) = ( 0.2510496 0.2510496 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2597065 0.2597065 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2683634 0.2683634 0.0000000), wk = 0.0026738 k( 33) = ( 0.2770203 0.2770203 0.0000000), wk = 0.0026738 k( 34) = ( 0.2856772 0.2856772 0.0000000), wk = 0.0026738 k( 35) = ( 0.2943341 0.2943341 0.0000000), wk = 0.0026738 k( 36) = ( 0.3029909 0.3029910 0.0000000), wk = 0.0026738 k( 37) = ( 0.3116478 0.3116478 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3203047 0.3203047 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3289616 0.3289616 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3376185 0.3376185 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3462754 0.3462754 0.0000000), wk = 0.0026738 k( 42) = ( 0.3462754 0.3462754 0.0000000), wk = 0.0026738 k( 43) = ( 0.3297861 0.3535956 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3132968 0.3609158 0.0000000), wk = 0.0026738 k( 45) = ( 0.2968075 0.3682360 0.0000000), wk = 0.0026738 k( 46) = ( 0.2803182 0.3755562 0.0000000), wk = 0.0026738 k( 47) = ( 0.2638289 0.3828765 0.0000000), wk = 0.0026738 k( 48) = ( 0.2473395 0.3901967 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2308503 0.3975169 0.0000000), wk = 0.0026738 k( 50) = ( 0.2143609 0.4048371 0.0000000), wk = 0.0026738 k( 51) = ( 0.1978716 0.4121573 0.0000000), wk = 0.0026738 k( 52) = ( 0.1813823 0.4194776 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1648930 0.4267978 0.0000000), wk = 0.0026738 k( 54) = ( 0.1484037 0.4341180 0.0000000), wk = 0.0026738 k( 55) = ( 0.1319144 0.4414382 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1154251 0.4487585 0.0000000), wk = 0.0026738 k( 57) = ( 0.0989358 0.4560787 0.0000000), wk = 0.0026738 k( 58) = ( 0.0824465 0.4633989 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0659572 0.4707191 0.0000000), wk = 0.0026738 k( 60) = ( 0.0494679 0.4780393 0.0000000), wk = 0.0026738 k( 61) = ( 0.0329786 0.4853596 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164893 0.4926798 -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 0.0454545), 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 0.3484848), 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 0.4545454), 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) = ( 0.0164893 0.4926798 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329786 0.4853596 0.5000000), wk = 0.0026738 k( 101) = ( 0.0494679 0.4780393 0.5000000), wk = 0.0026738 k( 102) = ( 0.0659572 0.4707191 0.5000000), wk = 0.0026738 k( 103) = ( 0.0824465 0.4633989 0.5000000), wk = 0.0026738 k( 104) = ( 0.0989358 0.4560787 0.5000000), wk = 0.0026738 k( 105) = ( 0.1154251 0.4487585 0.5000000), wk = 0.0026738 k( 106) = ( 0.1319144 0.4414382 0.5000000), wk = 0.0026738 k( 107) = ( 0.1484037 0.4341180 0.5000000), wk = 0.0026738 k( 108) = ( 0.1648930 0.4267978 0.5000000), wk = 0.0026738 k( 109) = ( 0.1813823 0.4194776 0.5000000), wk = 0.0026738 k( 110) = ( 0.1978716 0.4121573 0.5000000), wk = 0.0026738 k( 111) = ( 0.2143609 0.4048371 0.5000000), wk = 0.0026738 k( 112) = ( 0.2308503 0.3975169 0.5000000), wk = 0.0026738 k( 113) = ( 0.2473395 0.3901967 0.5000000), wk = 0.0026738 k( 114) = ( 0.2638289 0.3828765 0.5000000), wk = 0.0026738 k( 115) = ( 0.2803182 0.3755562 0.5000000), wk = 0.0026738 k( 116) = ( 0.2968075 0.3682360 0.5000000), wk = 0.0026738 k( 117) = ( 0.3132968 0.3609158 0.5000000), wk = 0.0026738 k( 118) = ( 0.3297861 0.3535956 0.5000000), wk = 0.0026738 k( 119) = ( 0.3462754 0.3462754 0.5000000), wk = 0.0026738 k( 120) = ( 0.3462754 0.3462754 0.5000000), wk = 0.0026738 k( 121) = ( 0.3376185 0.3376185 0.5000000), wk = 0.0026738 k( 122) = ( 0.3289616 0.3289616 0.5000000), wk = 0.0026738 k( 123) = ( 0.3203047 0.3203047 0.5000000), wk = 0.0026738 k( 124) = ( 0.3116478 0.3116478 0.5000000), wk = 0.0026738 k( 125) = ( 0.3029909 0.3029910 0.5000000), wk = 0.0026738 k( 126) = ( 0.2943341 0.2943341 0.5000000), wk = 0.0026738 k( 127) = ( 0.2856772 0.2856772 0.5000000), wk = 0.0026738 k( 128) = ( 0.2770203 0.2770203 0.5000000), wk = 0.0026738 k( 129) = ( 0.2683634 0.2683634 0.5000000), wk = 0.0026738 k( 130) = ( 0.2597065 0.2597065 0.5000000), wk = 0.0026738 k( 131) = ( 0.2510496 0.2510496 0.5000000), wk = 0.0026738 k( 132) = ( 0.2423928 0.2423928 0.5000000), wk = 0.0026738 k( 133) = ( 0.2337359 0.2337359 0.5000000), wk = 0.0026738 k( 134) = ( 0.2250790 0.2250790 0.5000000), wk = 0.0026738 k( 135) = ( 0.2164221 0.2164221 0.5000000), wk = 0.0026738 k( 136) = ( 0.2077652 0.2077652 0.5000000), wk = 0.0026738 k( 137) = ( 0.1991083 0.1991083 0.5000000), wk = 0.0026738 k( 138) = ( 0.1904514 0.1904514 0.5000000), wk = 0.0026738 k( 139) = ( 0.1817946 0.1817946 0.5000000), wk = 0.0026738 k( 140) = ( 0.1731377 0.1731377 0.5000000), wk = 0.0026738 k( 141) = ( 0.1644808 0.1644808 0.5000000), wk = 0.0026738 k( 142) = ( 0.1558239 0.1558239 0.5000000), wk = 0.0026738 k( 143) = ( 0.1471670 0.1471670 0.5000000), wk = 0.0026738 k( 144) = ( 0.1385101 0.1385101 0.5000000), wk = 0.0026738 k( 145) = ( 0.1298533 0.1298533 0.5000000), wk = 0.0026738 k( 146) = ( 0.1211964 0.1211964 0.5000000), wk = 0.0026738 k( 147) = ( 0.1125395 0.1125395 0.5000000), wk = 0.0026738 k( 148) = ( 0.1038826 0.1038826 0.5000000), wk = 0.0026738 k( 149) = ( 0.0952257 0.0952257 0.5000000), wk = 0.0026738 k( 150) = ( 0.0865688 0.0865688 0.5000000), wk = 0.0026738 k( 151) = ( 0.0779120 0.0779120 0.5000000), wk = 0.0026738 k( 152) = ( 0.0692551 0.0692551 0.5000000), wk = 0.0026738 k( 153) = ( 0.0605982 0.0605982 0.5000000), wk = 0.0026738 k( 154) = ( 0.0519413 0.0519413 0.5000000), wk = 0.0026738 k( 155) = ( 0.0432844 0.0432844 0.5000000), wk = 0.0026738 k( 156) = ( 0.0346275 0.0346275 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259707 0.0259707 0.5000000), wk = 0.0026738 k( 158) = ( 0.0173138 0.0173138 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086569 0.0086569 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 0.0454545), 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) = ( -0.4914597 0.5085403 0.0000000), wk = 0.0026738 k( 234) = ( -0.4829195 0.5170805 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4743792 0.5256208 0.0000000), wk = 0.0026738 k( 236) = ( -0.4658390 0.5341610 0.0000000), wk = 0.0026738 k( 237) = ( -0.4572987 0.5427013 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4487585 0.5512415 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4402182 0.5597818 0.0000000), wk = 0.0026738 k( 240) = ( -0.4316779 0.5683221 0.0000000), wk = 0.0026738 k( 241) = ( -0.4231377 0.5768623 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4145974 0.5854026 0.0000000), wk = 0.0026738 k( 243) = ( -0.4060572 0.5939428 0.0000000), wk = 0.0026738 k( 244) = ( -0.3975169 0.6024831 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3889767 0.6110233 0.0000000), wk = 0.0026738 k( 246) = ( -0.3804364 0.6195636 0.0000000), wk = 0.0026738 k( 247) = ( -0.3718961 0.6281039 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3633559 0.6366441 0.0000000), wk = 0.0026738 k( 249) = ( -0.3548156 0.6451844 0.0000000), wk = 0.0026738 k( 250) = ( -0.3462754 0.6537246 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3462754 0.6537246 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3462754 0.6537246 0.0151515), wk = 0.0026738 k( 253) = ( -0.3462754 0.6537246 0.0303030), wk = 0.0026738 k( 254) = ( -0.3462754 0.6537246 0.0454545), wk = 0.0026738 k( 255) = ( -0.3462754 0.6537246 0.0606061), wk = 0.0026738 k( 256) = ( -0.3462754 0.6537246 0.0757576), wk = 0.0026738 k( 257) = ( -0.3462754 0.6537246 0.0909091), wk = 0.0026738 k( 258) = ( -0.3462754 0.6537246 0.1060606), wk = 0.0026738 k( 259) = ( -0.3462754 0.6537246 0.1212121), wk = 0.0026738 k( 260) = ( -0.3462754 0.6537246 0.1363636), wk = 0.0026738 k( 261) = ( -0.3462754 0.6537246 0.1515151), wk = 0.0026738 k( 262) = ( -0.3462754 0.6537246 0.1666667), wk = 0.0026738 k( 263) = ( -0.3462754 0.6537246 0.1818182), wk = 0.0026738 k( 264) = ( -0.3462754 0.6537246 0.1969697), wk = 0.0026738 k( 265) = ( -0.3462754 0.6537246 0.2121212), wk = 0.0026738 k( 266) = ( -0.3462754 0.6537246 0.2272727), wk = 0.0026738 k( 267) = ( -0.3462754 0.6537246 0.2424242), wk = 0.0026738 k( 268) = ( -0.3462754 0.6537246 0.2575758), wk = 0.0026738 k( 269) = ( -0.3462754 0.6537246 0.2727273), wk = 0.0026738 k( 270) = ( -0.3462754 0.6537246 0.2878788), wk = 0.0026738 k( 271) = ( -0.3462754 0.6537246 0.3030303), wk = 0.0026738 k( 272) = ( -0.3462754 0.6537246 0.3181818), wk = 0.0026738 k( 273) = ( -0.3462754 0.6537246 0.3333333), wk = 0.0026738 k( 274) = ( -0.3462754 0.6537246 0.3484848), wk = 0.0026738 k( 275) = ( -0.3462754 0.6537246 0.3636364), wk = 0.0026738 k( 276) = ( -0.3462754 0.6537246 0.3787879), wk = 0.0026738 k( 277) = ( -0.3462754 0.6537246 0.3939394), wk = 0.0026738 k( 278) = ( -0.3462754 0.6537246 0.4090909), wk = 0.0026738 k( 279) = ( -0.3462754 0.6537246 0.4242424), wk = 0.0026738 k( 280) = ( -0.3462754 0.6537246 0.4393939), wk = 0.0026738 k( 281) = ( -0.3462754 0.6537246 0.4545454), wk = 0.0026738 k( 282) = ( -0.3462754 0.6537246 0.4696970), wk = 0.0026738 k( 283) = ( -0.3462754 0.6537246 0.4848485), wk = 0.0026738 k( 284) = ( -0.3462754 0.6537246 0.5000000), wk = 0.0026738 k( 285) = ( -0.3462754 0.6537246 0.5000000), wk = 0.0026738 k( 286) = ( -0.3548156 0.6451844 0.5000000), wk = 0.0026738 k( 287) = ( -0.3633559 0.6366441 0.5000000), wk = 0.0026738 k( 288) = ( -0.3718961 0.6281039 0.5000000), wk = 0.0026738 k( 289) = ( -0.3804364 0.6195636 0.5000000), wk = 0.0026738 k( 290) = ( -0.3889767 0.6110233 0.5000000), wk = 0.0026738 k( 291) = ( -0.3975169 0.6024831 0.5000000), wk = 0.0026738 k( 292) = ( -0.4060572 0.5939428 0.5000000), wk = 0.0026738 k( 293) = ( -0.4145974 0.5854026 0.5000000), wk = 0.0026738 k( 294) = ( -0.4231377 0.5768623 0.5000000), wk = 0.0026738 k( 295) = ( -0.4316779 0.5683221 0.5000000), wk = 0.0026738 k( 296) = ( -0.4402182 0.5597818 0.5000000), wk = 0.0026738 k( 297) = ( -0.4487585 0.5512415 0.5000000), wk = 0.0026738 k( 298) = ( -0.4572987 0.5427013 0.5000000), wk = 0.0026738 k( 299) = ( -0.4658390 0.5341610 0.5000000), wk = 0.0026738 k( 300) = ( -0.4743792 0.5256208 0.5000000), wk = 0.0026738 k( 301) = ( -0.4829195 0.5170805 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914597 0.5085403 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 0.0454545), 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: 78355 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34697 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 190, 58) NL pseudopotentials 0.32 Mb ( 95, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1635) G-vector shells 0.01 Mb ( 827) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 190, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.6 secs Computing kpt #: 2 total cpu time spent up to now is 47.6 secs Computing kpt #: 3 total cpu time spent up to now is 50.4 secs Computing kpt #: 4 total cpu time spent up to now is 52.9 secs Computing kpt #: 5 total cpu time spent up to now is 55.4 secs Computing kpt #: 6 total cpu time spent up to now is 58.1 secs Computing kpt #: 7 total cpu time spent up to now is 60.7 secs Computing kpt #: 8 total cpu time spent up to now is 63.1 secs Computing kpt #: 9 total cpu time spent up to now is 65.5 secs Computing kpt #: 10 total cpu time spent up to now is 67.7 secs Computing kpt #: 11 total cpu time spent up to now is 70.1 secs Computing kpt #: 12 total cpu time spent up to now is 72.3 secs Computing kpt #: 13 total cpu time spent up to now is 75.0 secs Computing kpt #: 14 total cpu time spent up to now is 77.7 secs Computing kpt #: 15 total cpu time spent up to now is 80.0 secs Computing kpt #: 16 total cpu time spent up to now is 82.3 secs Computing kpt #: 17 total cpu time spent up to now is 84.7 secs Computing kpt #: 18 total cpu time spent up to now is 87.4 secs Computing kpt #: 19 total cpu time spent up to now is 90.0 secs Computing kpt #: 20 total cpu time spent up to now is 92.9 secs Computing kpt #: 21 total cpu time spent up to now is 95.7 secs Computing kpt #: 22 total cpu time spent up to now is 98.7 secs Computing kpt #: 23 total cpu time spent up to now is 101.8 secs Computing kpt #: 24 total cpu time spent up to now is 105.0 secs Computing kpt #: 25 total cpu time spent up to now is 108.5 secs Computing kpt #: 26 total cpu time spent up to now is 111.5 secs Computing kpt #: 27 total cpu time spent up to now is 114.7 secs Computing kpt #: 28 total cpu time spent up to now is 119.3 secs Computing kpt #: 29 total cpu time spent up to now is 122.3 secs Computing kpt #: 30 total cpu time spent up to now is 125.3 secs Computing kpt #: 31 total cpu time spent up to now is 128.3 secs Computing kpt #: 32 total cpu time spent up to now is 131.4 secs Computing kpt #: 33 total cpu time spent up to now is 133.8 secs Computing kpt #: 34 total cpu time spent up to now is 137.0 secs Computing kpt #: 35 total cpu time spent up to now is 140.1 secs Computing kpt #: 36 total cpu time spent up to now is 143.1 secs Computing kpt #: 37 total cpu time spent up to now is 146.1 secs Computing kpt #: 38 total cpu time spent up to now is 149.2 secs Computing kpt #: 39 total cpu time spent up to now is 152.1 secs Computing kpt #: 40 total cpu time spent up to now is 156.7 secs Computing kpt #: 41 total cpu time spent up to now is 160.3 secs Computing kpt #: 42 total cpu time spent up to now is 164.1 secs Computing kpt #: 43 total cpu time spent up to now is 168.6 secs Computing kpt #: 44 total cpu time spent up to now is 171.7 secs Computing kpt #: 45 total cpu time spent up to now is 174.5 secs Computing kpt #: 46 total cpu time spent up to now is 177.6 secs Computing kpt #: 47 total cpu time spent up to now is 180.5 secs Computing kpt #: 48 total cpu time spent up to now is 183.4 secs Computing kpt #: 49 total cpu time spent up to now is 186.7 secs Computing kpt #: 50 total cpu time spent up to now is 189.8 secs Computing kpt #: 51 total cpu time spent up to now is 192.9 secs Computing kpt #: 52 total cpu time spent up to now is 195.9 secs Computing kpt #: 53 total cpu time spent up to now is 199.3 secs Computing kpt #: 54 total cpu time spent up to now is 202.6 secs Computing kpt #: 55 total cpu time spent up to now is 206.2 secs Computing kpt #: 56 total cpu time spent up to now is 209.4 secs Computing kpt #: 57 total cpu time spent up to now is 212.4 secs Computing kpt #: 58 total cpu time spent up to now is 215.4 secs Computing kpt #: 59 total cpu time spent up to now is 218.1 secs Computing kpt #: 60 total cpu time spent up to now is 220.7 secs Computing kpt #: 61 total cpu time spent up to now is 223.3 secs Computing kpt #: 62 total cpu time spent up to now is 225.9 secs Computing kpt #: 63 total cpu time spent up to now is 228.5 secs Computing kpt #: 64 total cpu time spent up to now is 231.1 secs Computing kpt #: 65 total cpu time spent up to now is 233.7 secs Computing kpt #: 66 total cpu time spent up to now is 236.3 secs Computing kpt #: 67 total cpu time spent up to now is 239.3 secs Computing kpt #: 68 total cpu time spent up to now is 242.4 secs Computing kpt #: 69 total cpu time spent up to now is 245.4 secs Computing kpt #: 70 total cpu time spent up to now is 248.7 secs Computing kpt #: 71 total cpu time spent up to now is 251.9 secs Computing kpt #: 72 total cpu time spent up to now is 255.1 secs Computing kpt #: 73 total cpu time spent up to now is 259.0 secs Computing kpt #: 74 total cpu time spent up to now is 262.8 secs Computing kpt #: 75 total cpu time spent up to now is 266.6 secs Computing kpt #: 76 total cpu time spent up to now is 270.8 secs Computing kpt #: 77 total cpu time spent up to now is 275.0 secs Computing kpt #: 78 total cpu time spent up to now is 279.3 secs Computing kpt #: 79 total cpu time spent up to now is 283.8 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.1 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.4 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.7 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.0 secs Computing kpt #: 84 total cpu time spent up to now is 309.9 secs Computing kpt #: 85 total cpu time spent up to now is 313.5 secs Computing kpt #: 86 total cpu time spent up to now is 317.2 secs Computing kpt #: 87 total cpu time spent up to now is 320.3 secs Computing kpt #: 88 total cpu time spent up to now is 323.5 secs Computing kpt #: 89 total cpu time spent up to now is 326.6 secs Computing kpt #: 90 total cpu time spent up to now is 329.7 secs Computing kpt #: 91 total cpu time spent up to now is 332.7 secs Computing kpt #: 92 total cpu time spent up to now is 335.6 secs Computing kpt #: 93 total cpu time spent up to now is 338.4 secs Computing kpt #: 94 total cpu time spent up to now is 341.2 secs Computing kpt #: 95 total cpu time spent up to now is 344.2 secs Computing kpt #: 96 total cpu time spent up to now is 347.1 secs Computing kpt #: 97 total cpu time spent up to now is 350.6 secs Computing kpt #: 98 total cpu time spent up to now is 354.3 secs Computing kpt #: 99 total cpu time spent up to now is 358.0 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.2 secs Computing kpt #: 101 total cpu time spent up to now is 366.5 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.5 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.7 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.6 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 386.5 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.5 secs Computing kpt #: 107 total cpu time spent up to now is 394.8 secs Computing kpt #: 108 total cpu time spent up to now is 398.0 secs Computing kpt #: 109 total cpu time spent up to now is 401.3 secs Computing kpt #: 110 total cpu time spent up to now is 405.9 secs Computing kpt #: 111 total cpu time spent up to now is 409.0 secs Computing kpt #: 112 total cpu time spent up to now is 412.4 secs Computing kpt #: 113 total cpu time spent up to now is 415.7 secs Computing kpt #: 114 total cpu time spent up to now is 419.1 secs Computing kpt #: 115 total cpu time spent up to now is 422.4 secs Computing kpt #: 116 total cpu time spent up to now is 425.8 secs Computing kpt #: 117 total cpu time spent up to now is 429.4 secs Computing kpt #: 118 total cpu time spent up to now is 434.0 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 439.1 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 444.1 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.4 secs Computing kpt #: 122 total cpu time spent up to now is 452.6 secs Computing kpt #: 123 total cpu time spent up to now is 455.1 secs Computing kpt #: 124 total cpu time spent up to now is 458.4 secs Computing kpt #: 125 total cpu time spent up to now is 461.5 secs Computing kpt #: 126 total cpu time spent up to now is 464.1 secs Computing kpt #: 127 total cpu time spent up to now is 466.7 secs Computing kpt #: 128 total cpu time spent up to now is 469.6 secs Computing kpt #: 129 total cpu time spent up to now is 472.1 secs Computing kpt #: 130 total cpu time spent up to now is 476.5 secs Computing kpt #: 131 total cpu time spent up to now is 480.9 secs Computing kpt #: 132 total cpu time spent up to now is 483.9 secs Computing kpt #: 133 total cpu time spent up to now is 488.6 secs Computing kpt #: 134 total cpu time spent up to now is 492.7 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 497.7 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 502.6 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.4 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 513.5 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 518.2 secs Computing kpt #: 140 total cpu time spent up to now is 522.5 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 527.5 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 532.3 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.3 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 542.6 secs Computing kpt #: 145 total cpu time spent up to now is 546.9 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 551.8 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.8 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 561.6 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.4 secs Computing kpt #: 150 total cpu time spent up to now is 569.8 secs Computing kpt #: 151 total cpu time spent up to now is 573.0 secs Computing kpt #: 152 total cpu time spent up to now is 576.5 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 581.2 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 586.0 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 590.8 secs Computing kpt #: 156 total cpu time spent up to now is 595.3 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 600.1 secs Computing kpt #: 158 total cpu time spent up to now is 603.3 secs Computing kpt #: 159 total cpu time spent up to now is 605.6 secs Computing kpt #: 160 total cpu time spent up to now is 607.9 secs Computing kpt #: 161 total cpu time spent up to now is 610.1 secs Computing kpt #: 162 total cpu time spent up to now is 612.9 secs Computing kpt #: 163 total cpu time spent up to now is 615.8 secs Computing kpt #: 164 total cpu time spent up to now is 618.9 secs Computing kpt #: 165 total cpu time spent up to now is 621.5 secs Computing kpt #: 166 total cpu time spent up to now is 624.3 secs Computing kpt #: 167 total cpu time spent up to now is 627.3 secs Computing kpt #: 168 total cpu time spent up to now is 630.1 secs Computing kpt #: 169 total cpu time spent up to now is 633.2 secs Computing kpt #: 170 total cpu time spent up to now is 635.9 secs Computing kpt #: 171 total cpu time spent up to now is 638.9 secs Computing kpt #: 172 total cpu time spent up to now is 641.6 secs Computing kpt #: 173 total cpu time spent up to now is 644.3 secs Computing kpt #: 174 total cpu time spent up to now is 648.0 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 653.2 secs Computing kpt #: 176 total cpu time spent up to now is 656.1 secs Computing kpt #: 177 total cpu time spent up to now is 658.7 secs Computing kpt #: 178 total cpu time spent up to now is 661.1 secs Computing kpt #: 179 total cpu time spent up to now is 663.7 secs Computing kpt #: 180 total cpu time spent up to now is 666.0 secs Computing kpt #: 181 total cpu time spent up to now is 668.4 secs Computing kpt #: 182 total cpu time spent up to now is 670.6 secs Computing kpt #: 183 total cpu time spent up to now is 673.2 secs Computing kpt #: 184 total cpu time spent up to now is 676.1 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 681.3 secs Computing kpt #: 186 total cpu time spent up to now is 684.8 secs Computing kpt #: 187 total cpu time spent up to now is 688.3 secs Computing kpt #: 188 total cpu time spent up to now is 691.8 secs Computing kpt #: 189 total cpu time spent up to now is 695.0 secs Computing kpt #: 190 total cpu time spent up to now is 697.9 secs Computing kpt #: 191 total cpu time spent up to now is 700.7 secs Computing kpt #: 192 total cpu time spent up to now is 703.2 secs Computing kpt #: 193 total cpu time spent up to now is 705.9 secs Computing kpt #: 194 total cpu time spent up to now is 708.4 secs Computing kpt #: 195 total cpu time spent up to now is 711.0 secs Computing kpt #: 196 total cpu time spent up to now is 713.8 secs Computing kpt #: 197 total cpu time spent up to now is 716.6 secs Computing kpt #: 198 total cpu time spent up to now is 719.4 secs Computing kpt #: 199 total cpu time spent up to now is 722.3 secs Computing kpt #: 200 total cpu time spent up to now is 725.0 secs Computing kpt #: 201 total cpu time spent up to now is 727.7 secs Computing kpt #: 202 total cpu time spent up to now is 730.5 secs Computing kpt #: 203 total cpu time spent up to now is 733.1 secs Computing kpt #: 204 total cpu time spent up to now is 735.9 secs Computing kpt #: 205 total cpu time spent up to now is 738.8 secs Computing kpt #: 206 total cpu time spent up to now is 741.4 secs Computing kpt #: 207 total cpu time spent up to now is 744.1 secs Computing kpt #: 208 total cpu time spent up to now is 746.9 secs Computing kpt #: 209 total cpu time spent up to now is 749.5 secs Computing kpt #: 210 total cpu time spent up to now is 752.3 secs Computing kpt #: 211 total cpu time spent up to now is 755.1 secs Computing kpt #: 212 total cpu time spent up to now is 758.1 secs Computing kpt #: 213 total cpu time spent up to now is 760.8 secs Computing kpt #: 214 total cpu time spent up to now is 763.6 secs Computing kpt #: 215 total cpu time spent up to now is 766.4 secs Computing kpt #: 216 total cpu time spent up to now is 769.2 secs Computing kpt #: 217 total cpu time spent up to now is 772.0 secs Computing kpt #: 218 total cpu time spent up to now is 774.7 secs Computing kpt #: 219 total cpu time spent up to now is 777.6 secs Computing kpt #: 220 total cpu time spent up to now is 780.3 secs Computing kpt #: 221 total cpu time spent up to now is 783.1 secs Computing kpt #: 222 total cpu time spent up to now is 785.8 secs Computing kpt #: 223 total cpu time spent up to now is 788.5 secs Computing kpt #: 224 total cpu time spent up to now is 791.2 secs Computing kpt #: 225 total cpu time spent up to now is 793.9 secs Computing kpt #: 226 total cpu time spent up to now is 796.7 secs Computing kpt #: 227 total cpu time spent up to now is 799.3 secs Computing kpt #: 228 total cpu time spent up to now is 801.8 secs Computing kpt #: 229 total cpu time spent up to now is 804.7 secs Computing kpt #: 230 total cpu time spent up to now is 808.5 secs Computing kpt #: 231 total cpu time spent up to now is 811.8 secs Computing kpt #: 232 total cpu time spent up to now is 814.4 secs Computing kpt #: 233 total cpu time spent up to now is 817.1 secs Computing kpt #: 234 total cpu time spent up to now is 819.7 secs Computing kpt #: 235 total cpu time spent up to now is 822.6 secs Computing kpt #: 236 total cpu time spent up to now is 825.4 secs Computing kpt #: 237 total cpu time spent up to now is 828.3 secs Computing kpt #: 238 total cpu time spent up to now is 831.6 secs Computing kpt #: 239 total cpu time spent up to now is 835.2 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 840.6 secs Computing kpt #: 241 total cpu time spent up to now is 843.8 secs Computing kpt #: 242 total cpu time spent up to now is 846.7 secs Computing kpt #: 243 total cpu time spent up to now is 849.7 secs Computing kpt #: 244 total cpu time spent up to now is 852.6 secs Computing kpt #: 245 total cpu time spent up to now is 855.6 secs Computing kpt #: 246 total cpu time spent up to now is 858.4 secs Computing kpt #: 247 total cpu time spent up to now is 861.1 secs Computing kpt #: 248 total cpu time spent up to now is 863.9 secs Computing kpt #: 249 total cpu time spent up to now is 867.0 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 872.2 secs Computing kpt #: 251 total cpu time spent up to now is 875.6 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 881.1 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 886.6 secs Computing kpt #: 254 total cpu time spent up to now is 891.0 secs Computing kpt #: 255 total cpu time spent up to now is 894.7 secs Computing kpt #: 256 total cpu time spent up to now is 898.7 secs Computing kpt #: 257 total cpu time spent up to now is 902.5 secs Computing kpt #: 258 total cpu time spent up to now is 905.6 secs Computing kpt #: 259 total cpu time spent up to now is 908.4 secs Computing kpt #: 260 total cpu time spent up to now is 910.9 secs Computing kpt #: 261 total cpu time spent up to now is 913.5 secs Computing kpt #: 262 total cpu time spent up to now is 916.2 secs Computing kpt #: 263 total cpu time spent up to now is 918.7 secs Computing kpt #: 264 total cpu time spent up to now is 921.0 secs Computing kpt #: 265 total cpu time spent up to now is 923.6 secs Computing kpt #: 266 total cpu time spent up to now is 926.0 secs Computing kpt #: 267 total cpu time spent up to now is 928.3 secs Computing kpt #: 268 total cpu time spent up to now is 930.7 secs Computing kpt #: 269 total cpu time spent up to now is 933.1 secs Computing kpt #: 270 total cpu time spent up to now is 935.5 secs Computing kpt #: 271 total cpu time spent up to now is 938.1 secs Computing kpt #: 272 total cpu time spent up to now is 940.7 secs Computing kpt #: 273 total cpu time spent up to now is 943.1 secs Computing kpt #: 274 total cpu time spent up to now is 945.5 secs Computing kpt #: 275 total cpu time spent up to now is 947.9 secs Computing kpt #: 276 total cpu time spent up to now is 950.3 secs Computing kpt #: 277 total cpu time spent up to now is 952.7 secs Computing kpt #: 278 total cpu time spent up to now is 955.1 secs Computing kpt #: 279 total cpu time spent up to now is 957.6 secs Computing kpt #: 280 total cpu time spent up to now is 960.4 secs Computing kpt #: 281 total cpu time spent up to now is 963.1 secs Computing kpt #: 282 total cpu time spent up to now is 965.9 secs Computing kpt #: 283 total cpu time spent up to now is 969.0 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 974.2 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 979.4 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 984.4 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 989.6 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 994.6 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 999.9 secs Computing kpt #: 290 total cpu time spent up to now is 1003.4 secs Computing kpt #: 291 total cpu time spent up to now is 1005.7 secs Computing kpt #: 292 total cpu time spent up to now is 1008.1 secs Computing kpt #: 293 total cpu time spent up to now is 1010.3 secs Computing kpt #: 294 total cpu time spent up to now is 1012.8 secs Computing kpt #: 295 total cpu time spent up to now is 1015.1 secs Computing kpt #: 296 total cpu time spent up to now is 1017.4 secs Computing kpt #: 297 total cpu time spent up to now is 1020.7 secs Computing kpt #: 298 total cpu time spent up to now is 1023.0 secs Computing kpt #: 299 total cpu time spent up to now is 1025.3 secs Computing kpt #: 300 total cpu time spent up to now is 1027.6 secs Computing kpt #: 301 total cpu time spent up to now is 1029.8 secs Computing kpt #: 302 total cpu time spent up to now is 1032.1 secs Computing kpt #: 303 total cpu time spent up to now is 1034.3 secs Computing kpt #: 304 total cpu time spent up to now is 1036.5 secs Computing kpt #: 305 total cpu time spent up to now is 1039.2 secs Computing kpt #: 306 total cpu time spent up to now is 1041.7 secs Computing kpt #: 307 total cpu time spent up to now is 1044.4 secs Computing kpt #: 308 total cpu time spent up to now is 1047.0 secs Computing kpt #: 309 total cpu time spent up to now is 1049.5 secs Computing kpt #: 310 total cpu time spent up to now is 1052.1 secs Computing kpt #: 311 total cpu time spent up to now is 1054.6 secs Computing kpt #: 312 total cpu time spent up to now is 1057.0 secs Computing kpt #: 313 total cpu time spent up to now is 1059.6 secs Computing kpt #: 314 total cpu time spent up to now is 1062.1 secs Computing kpt #: 315 total cpu time spent up to now is 1064.4 secs Computing kpt #: 316 total cpu time spent up to now is 1066.7 secs Computing kpt #: 317 total cpu time spent up to now is 1069.1 secs Computing kpt #: 318 total cpu time spent up to now is 1071.4 secs Computing kpt #: 319 total cpu time spent up to now is 1073.6 secs Computing kpt #: 320 total cpu time spent up to now is 1076.1 secs Computing kpt #: 321 total cpu time spent up to now is 1078.6 secs Computing kpt #: 322 total cpu time spent up to now is 1081.5 secs Computing kpt #: 323 total cpu time spent up to now is 1084.9 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1090.2 secs Computing kpt #: 325 total cpu time spent up to now is 1093.4 secs Computing kpt #: 326 total cpu time spent up to now is 1096.4 secs Computing kpt #: 327 total cpu time spent up to now is 1099.2 secs Computing kpt #: 328 total cpu time spent up to now is 1102.3 secs Computing kpt #: 329 total cpu time spent up to now is 1105.4 secs Computing kpt #: 330 total cpu time spent up to now is 1109.5 secs Computing kpt #: 331 total cpu time spent up to now is 1112.6 secs Computing kpt #: 332 total cpu time spent up to now is 1115.2 secs Computing kpt #: 333 total cpu time spent up to now is 1117.9 secs Computing kpt #: 334 total cpu time spent up to now is 1120.5 secs Computing kpt #: 335 total cpu time spent up to now is 1123.1 secs Computing kpt #: 336 total cpu time spent up to now is 1125.7 secs Computing kpt #: 337 total cpu time spent up to now is 1128.3 secs Computing kpt #: 338 total cpu time spent up to now is 1130.7 secs Computing kpt #: 339 total cpu time spent up to now is 1135.2 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1140.0 secs Computing kpt #: 341 total cpu time spent up to now is 1143.5 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1148.4 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1153.5 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1158.3 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1163.3 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1168.2 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1173.0 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1178.0 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1182.9 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1187.9 secs Computing kpt #: 351 total cpu time spent up to now is 1192.3 secs Computing kpt #: 352 total cpu time spent up to now is 1195.9 secs Computing kpt #: 353 total cpu time spent up to now is 1199.3 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1204.3 secs Computing kpt #: 355 total cpu time spent up to now is 1207.9 secs Computing kpt #: 356 total cpu time spent up to now is 1211.1 secs Computing kpt #: 357 total cpu time spent up to now is 1214.9 secs Computing kpt #: 358 total cpu time spent up to now is 1218.3 secs Computing kpt #: 359 total cpu time spent up to now is 1221.9 secs Computing kpt #: 360 total cpu time spent up to now is 1225.5 secs Computing kpt #: 361 total cpu time spent up to now is 1229.0 secs Computing kpt #: 362 total cpu time spent up to now is 1233.4 secs Computing kpt #: 363 total cpu time spent up to now is 1237.1 secs Computing kpt #: 364 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1242.3 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1247.4 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1252.5 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1257.7 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1262.5 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1267.3 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1272.1 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1276.8 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1281.9 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1287.1 secs Computing kpt #: 374 total cpu time spent up to now is 1289.3 secs ethr = 2.08E-11, avg # of iterations = 58.2 total cpu time spent up to now is 1289.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.9571 -13.9571 -13.4639 -13.4639 -10.7555 -10.7555 -9.0222 -9.0222 -8.8471 -8.8471 -8.7655 -8.7655 -3.6242 -3.6242 -3.3096 -3.3096 -2.7950 -2.7950 -0.6528 -0.6528 -0.1408 -0.1408 -0.0160 -0.0160 0.2973 0.2973 1.0979 1.0979 1.4161 1.4161 2.0726 2.0726 2.4482 2.4482 3.2691 3.2691 3.4900 3.4900 3.7833 3.7833 3.8011 3.8011 4.4662 4.4662 4.6464 4.6464 5.5104 5.5104 10.6932 10.6932 12.0892 12.0892 12.1420 12.1420 12.8895 12.8895 13.6108 13.6108 k = 0.0087 0.0139-0.0000 ( 4323 PWs) bands (ev): -13.9569 -13.9568 -13.4639 -13.4639 -10.7549 -10.7549 -9.0397 -9.0372 -8.8342 -8.8313 -8.7653 -8.7650 -3.6281 -3.6279 -3.3038 -3.3032 -2.7942 -2.7940 -0.6529 -0.6523 -0.1418 -0.1415 -0.0155 -0.0154 0.2929 0.2942 1.1029 1.1048 1.4148 1.4155 2.0707 2.0718 2.4481 2.4484 3.2666 3.2671 3.4903 3.4904 3.7755 3.7860 3.7953 3.8057 4.4664 4.4665 4.6457 4.6460 5.5094 5.5097 10.6963 10.6963 12.0912 12.0916 12.1423 12.1427 12.8894 12.8902 13.6089 13.6102 k = 0.0173 0.0279-0.0000 ( 4327 PWs) bands (ev): -13.9561 -13.9560 -13.4640 -13.4640 -10.7530 -10.7529 -9.0792 -9.0756 -8.8018 -8.7972 -8.7641 -8.7635 -3.6385 -3.6383 -3.2868 -3.2857 -2.7914 -2.7910 -0.6527 -0.6515 -0.1445 -0.1437 -0.0141 -0.0138 0.2819 0.2842 1.1195 1.1231 1.4115 1.4131 2.0661 2.0683 2.4480 2.4487 3.2595 3.2606 3.4913 3.4914 3.7640 3.7779 3.7941 3.8079 4.4672 4.4674 4.6439 4.6446 5.5066 5.5073 10.7054 10.7054 12.0974 12.0982 12.1437 12.1443 12.8899 12.8915 13.6044 13.6069 k = 0.0260 0.0418-0.0000 ( 4317 PWs) bands (ev): -13.9547 -13.9547 -13.4642 -13.4642 -10.7497 -10.7497 -9.1287 -9.1249 -8.7641 -8.7614 -8.7602 -8.7567 -3.6535 -3.6533 -3.2605 -3.2591 -2.7867 -2.7861 -0.6522 -0.6504 -0.1488 -0.1477 -0.0119 -0.0114 0.2658 0.2690 1.1465 1.1516 1.4064 1.4087 2.0589 2.0621 2.4479 2.4490 3.2483 3.2499 3.4930 3.4931 3.7485 3.7626 3.7939 3.8078 4.4685 4.4688 4.6411 4.6420 5.5023 5.5032 10.7204 10.7205 12.1079 12.1090 12.1460 12.1470 12.8911 12.8934 13.5967 13.6004 k = 0.0346 0.0558-0.0000 ( 4325 PWs) bands (ev): -13.9529 -13.9529 -13.4644 -13.4644 -10.7452 -10.7451 -9.1834 -9.1795 -8.7595 -8.7582 -8.7208 -8.7152 -3.6710 -3.6708 -3.2273 -3.2256 -2.7801 -2.7793 -0.6519 -0.6495 -0.1548 -0.1533 -0.0094 -0.0088 0.2472 0.2509 1.1822 1.1886 1.3993 1.4023 2.0490 2.0532 2.4478 2.4493 3.2331 3.2353 3.4954 3.4955 3.7287 3.7423 3.7924 3.8059 4.4703 4.4707 4.6371 4.6383 5.4963 5.4977 10.7414 10.7415 12.1222 12.1238 12.1492 12.1505 12.8931 12.8962 13.5851 13.5897 k = 0.0433 0.0697-0.0000 ( 4315 PWs) bands (ev): -13.9505 -13.9505 -13.4647 -13.4647 -10.7393 -10.7392 -9.2410 -9.2372 -8.7558 -8.7543 -8.6803 -8.6743 -3.6891 -3.6890 -3.1890 -3.1869 -2.7716 -2.7706 -0.6522 -0.6491 -0.1625 -0.1606 -0.0075 -0.0066 0.2288 0.2329 1.2249 1.2323 1.3903 1.3941 2.0365 2.0415 2.4475 2.4495 3.2145 3.2173 3.4984 3.4986 3.7042 3.7173 3.7894 3.8024 4.4727 4.4732 4.6318 4.6333 5.4890 5.4907 10.7680 10.7681 12.1403 12.1423 12.1532 12.1549 12.8963 12.9001 13.5693 13.5745 k = 0.0519 0.0837-0.0000 ( 4315 PWs) bands (ev): -13.9477 -13.9476 -13.4651 -13.4651 -10.7322 -10.7321 -9.3006 -9.2970 -8.7514 -8.7495 -8.6415 -8.6351 -3.7067 -3.7066 -3.1468 -3.1445 -2.7612 -2.7600 -0.6534 -0.6497 -0.1720 -0.1697 -0.0070 -0.0059 0.2137 0.2178 1.2731 1.2812 1.3794 1.3838 2.0212 2.0271 2.4470 2.4495 3.1931 3.1964 3.5023 3.5024 3.6751 3.6875 3.7850 3.7975 4.4757 4.4763 4.6251 4.6268 5.4805 5.4825 10.8001 10.8002 12.1579 12.1600 12.1619 12.1642 12.9009 12.9052 13.5492 13.5549 k = 0.0606 0.0976-0.0000 ( 4311 PWs) bands (ev): -13.9443 -13.9442 -13.4655 -13.4655 -10.7238 -10.7236 -9.3616 -9.3582 -8.7461 -8.7440 -8.6048 -8.5982 -3.7231 -3.7229 -3.1016 -3.0992 -2.7490 -2.7476 -0.6564 -0.6520 -0.1832 -0.1806 -0.0088 -0.0075 0.2045 0.2085 1.3252 1.3340 1.3666 1.3716 2.0032 2.0100 2.4461 2.4493 3.1694 3.1733 3.5068 3.5071 3.6412 3.6529 3.7793 3.7913 4.4792 4.4799 4.6168 4.6186 5.4710 5.4733 10.8373 10.8375 12.1634 12.1657 12.1864 12.1892 12.9070 12.9118 13.5255 13.5314 k = 0.0693 0.1116-0.0000 ( 4311 PWs) bands (ev): -13.9404 -13.9404 -13.4660 -13.4660 -10.7140 -10.7138 -9.4238 -9.4205 -8.7401 -8.7377 -8.5706 -8.5638 -3.7377 -3.7373 -3.0542 -3.0516 -2.7348 -2.7332 -0.6618 -0.6566 -0.1963 -0.1933 -0.0129 -0.0114 0.2031 0.2069 1.3514 1.3573 1.3805 1.3900 1.9825 1.9900 2.4448 2.4486 3.1441 3.1486 3.5122 3.5126 3.6027 3.6137 3.7724 3.7839 4.4833 4.4841 4.6067 4.6086 5.4607 5.4633 10.8795 10.8798 12.1693 12.1720 12.2137 12.2169 12.9152 12.9203 13.4991 13.5050 k = 0.0779 0.1255-0.0000 ( 4307 PWs) bands (ev): -13.9361 -13.9361 -13.4666 -13.4666 -10.7029 -10.7027 -9.4867 -9.4836 -8.7333 -8.7306 -8.5392 -8.5321 -3.7500 -3.7495 -3.0051 -3.0024 -2.7187 -2.7169 -0.6702 -0.6642 -0.2113 -0.2079 -0.0183 -0.0168 0.2098 0.2134 1.3346 1.3411 1.4377 1.4476 1.9591 1.9672 2.4429 2.4474 3.1178 3.1228 3.5177 3.5189 3.5605 3.5702 3.7643 3.7754 4.4880 4.4889 4.5946 4.5966 5.4497 5.4526 10.9263 10.9266 12.1755 12.1786 12.2433 12.2469 12.9255 12.9310 13.4710 13.4769 k = 0.0866 0.1395-0.0000 ( 4315 PWs) bands (ev): -13.9313 -13.9313 -13.4672 -13.4672 -10.6906 -10.6903 -9.5502 -9.5473 -8.7258 -8.7228 -8.5107 -8.5033 -3.7600 -3.7593 -2.9546 -2.9518 -2.7008 -2.6988 -0.6821 -0.6754 -0.2283 -0.2245 -0.0234 -0.0220 0.2241 0.2276 1.3156 1.3227 1.4962 1.5066 1.9329 1.9417 2.4404 2.4457 3.0911 3.0967 3.5078 3.5198 3.5291 3.5305 3.7552 3.7659 4.4933 4.4943 4.5803 4.5823 5.4382 5.4414 10.9774 10.9777 12.1818 12.1853 12.2749 12.2790 12.9384 12.9440 13.4423 13.4480 k = 0.0952 0.1534-0.0000 ( 4315 PWs) bands (ev): -13.9261 -13.9261 -13.4679 -13.4678 -10.6769 -10.6766 -9.6142 -9.6114 -8.7176 -8.7143 -8.4851 -8.4776 -3.7674 -3.7666 -2.9032 -2.9002 -2.6811 -2.6789 -0.6980 -0.6906 -0.2473 -0.2431 -0.0263 -0.0249 0.2450 0.2485 1.2945 1.3022 1.5556 1.5663 1.9040 1.9133 2.4371 2.4432 3.0645 3.0707 3.4596 3.4705 3.5354 3.5363 3.7449 3.7554 4.4992 4.5002 4.5636 4.5657 5.4263 5.4298 11.0323 11.0327 12.1882 12.1921 12.3083 12.3128 12.9539 12.9595 13.4138 13.4194 k = 0.1039 0.1674-0.0000 ( 4313 PWs) bands (ev): -13.9205 -13.9205 -13.4686 -13.4686 -10.6618 -10.6615 -9.6783 -9.6758 -8.7087 -8.7051 -8.4625 -8.4549 -3.7723 -3.7713 -2.8510 -2.8480 -2.6595 -2.6570 -0.7178 -0.7099 -0.2684 -0.2639 -0.0256 -0.0244 0.2716 0.2752 1.2713 1.2794 1.6152 1.6262 1.8725 1.8823 2.4330 2.4400 3.0385 3.0452 3.4057 3.4160 3.5449 3.5455 3.7337 3.7440 4.5058 4.5069 4.5445 4.5466 5.4142 5.4180 11.0907 11.0912 12.1944 12.1987 12.3433 12.3481 12.9722 12.9777 13.3864 13.3917 k = 0.1125 0.1813-0.0000 ( 4317 PWs) bands (ev): -13.9145 -13.9145 -13.4693 -13.4693 -10.6455 -10.6451 -9.7426 -9.7401 -8.6992 -8.6953 -8.4430 -8.4352 -3.7746 -3.7735 -2.7983 -2.7952 -2.6360 -2.6334 -0.7413 -0.7329 -0.2917 -0.2868 -0.0207 -0.0196 0.3032 0.3069 1.2457 1.2544 1.6747 1.6860 1.8385 1.8488 2.4280 2.4359 3.0135 3.0207 3.3490 3.3588 3.5557 3.5561 3.7215 3.7316 4.5130 4.5140 4.5229 4.5248 5.4018 5.4058 11.1522 11.1528 12.2002 12.2049 12.3795 12.3847 12.9932 12.9984 13.3607 13.3657 k = 0.1212 0.1953-0.0000 ( 4309 PWs) bands (ev): -13.9082 -13.9081 -13.4701 -13.4701 -10.6278 -10.6274 -9.8067 -9.8045 -8.6890 -8.6849 -8.4266 -8.4186 -3.7745 -3.7732 -2.7454 -2.7423 -2.6108 -2.6079 -0.7680 -0.7593 -0.3172 -0.3119 -0.0113 -0.0103 0.3394 0.3433 1.2179 1.2270 1.7337 1.7452 1.8022 1.8128 2.4222 2.4309 2.9896 2.9973 3.2902 3.2996 3.5677 3.5682 3.7084 3.7183 4.4983 4.5005 4.5208 4.5221 5.3892 5.3935 11.2164 11.2171 12.2056 12.2106 12.4170 12.4225 13.0166 13.0214 13.3375 13.3421 k = 0.1299 0.2092-0.0000 ( 4309 PWs) bands (ev): -13.9015 -13.9014 -13.4710 -13.4710 -10.6088 -10.6084 -9.8707 -9.8686 -8.6784 -8.6740 -8.4131 -8.4050 -3.7720 -3.7706 -2.6925 -2.6893 -2.5837 -2.5807 -0.7974 -0.7884 -0.3450 -0.3394 0.0025 0.0035 0.3798 0.3839 1.1876 1.1972 1.7636 1.7746 1.7920 1.8037 2.4155 2.4250 2.9668 2.9750 3.2302 3.2394 3.5811 3.5816 3.6944 3.7042 4.4714 4.4735 4.5294 4.5307 5.3762 5.3808 11.2828 11.2838 12.2103 12.2157 12.4556 12.4615 13.0418 13.0460 13.3178 13.3218 k = 0.1385 0.2232-0.0000 ( 4309 PWs) bands (ev): -13.8944 -13.8944 -13.4719 -13.4718 -10.5885 -10.5880 -9.9343 -9.9324 -8.6672 -8.6625 -8.4026 -8.3944 -3.7672 -3.7658 -2.6397 -2.6365 -2.5549 -2.5517 -0.8286 -0.8194 -0.3752 -0.3692 0.0204 0.0213 0.4241 0.4284 1.1548 1.1647 1.7233 1.7346 1.8491 1.8611 2.4079 2.4183 2.9446 2.9532 3.1700 3.1790 3.5959 3.5965 3.6796 3.6893 4.4420 4.4440 4.5386 4.5400 5.3629 5.3677 11.3512 11.3523 12.2142 12.2201 12.4954 12.5015 13.0678 13.0712 13.3028 13.3061 k = 0.1472 0.2371-0.0000 ( 4309 PWs) bands (ev): -13.8871 -13.8870 -13.4728 -13.4728 -10.5668 -10.5663 -9.9976 -9.9957 -8.6556 -8.6507 -8.3949 -8.3867 -3.7605 -3.7590 -2.5872 -2.5840 -2.5243 -2.5209 -0.8610 -0.8517 -0.4079 -0.4015 0.0418 0.0428 0.4722 0.4767 1.1193 1.1296 1.6814 1.6930 1.9051 1.9172 2.3996 2.4108 2.9222 2.9310 3.1113 3.1202 3.6120 3.6128 3.6643 3.6736 4.4102 4.4121 4.5486 4.5501 5.3492 5.3542 11.4210 11.4223 12.2172 12.2235 12.5361 12.5426 13.0928 13.0952 13.2943 13.2967 k = 0.1558 0.2511-0.0000 ( 4305 PWs) bands (ev): -13.8796 -13.8795 -13.4737 -13.4737 -10.5439 -10.5433 -10.0603 -10.0585 -8.6435 -8.6384 -8.3899 -8.3817 -3.7520 -3.7505 -2.5351 -2.5320 -2.4920 -2.4884 -0.8939 -0.8846 -0.4429 -0.4362 0.0664 0.0675 0.5238 0.5286 1.0810 1.0916 1.6383 1.6501 1.9596 1.9718 2.3907 2.4025 2.8975 2.9065 3.0564 3.0655 3.6283 3.6305 3.6495 3.6576 4.3761 4.3780 4.5593 4.5608 5.3349 5.3401 11.4919 11.4934 12.2194 12.2261 12.5776 12.5844 13.1148 13.1158 13.2949 13.2961 k = 0.1645 0.2650-0.0000 ( 4303 PWs) bands (ev): -13.8718 -13.8717 -13.4747 -13.4747 -10.5196 -10.5190 -10.1223 -10.1207 -8.6312 -8.6258 -8.3876 -8.3793 -3.7419 -3.7404 -2.4837 -2.4807 -2.4580 -2.4542 -0.9267 -0.9173 -0.4804 -0.4734 0.0938 0.0950 0.5786 0.5837 1.0397 1.0505 1.5945 1.6065 2.0124 2.0249 2.3812 2.3937 2.8673 2.8761 3.0092 3.0186 3.6275 3.6381 3.6525 3.6529 4.3398 4.3416 4.5708 4.5723 5.3200 5.3254 11.5636 11.5653 12.2207 12.2278 12.6194 12.6265 13.1315 13.1317 13.3064 13.3064 k = 0.1731 0.2790-0.0000 ( 4311 PWs) bands (ev): -13.8638 -13.8637 -13.4757 -13.4756 -10.4939 -10.4933 -10.1837 -10.1822 -8.6185 -8.6129 -8.3877 -8.3794 -3.7306 -3.7290 -2.4331 -2.4301 -2.4223 -2.4182 -0.9588 -0.9495 -0.5204 -0.5130 0.1236 0.1249 0.6366 0.6420 0.9954 1.0064 1.5502 1.5624 2.0636 2.0762 2.3712 2.3842 2.8282 2.8367 2.9732 2.9830 3.6110 3.6215 3.6729 3.6730 4.3016 4.3033 4.5830 4.5846 5.3043 5.3098 11.6358 11.6376 12.2211 12.2286 12.6606 12.6680 13.1430 13.1442 13.3277 13.3285 k = 0.1818 0.2929-0.0000 ( 4315 PWs) bands (ev): -13.8556 -13.8555 -13.4766 -13.4766 -10.4670 -10.4663 -10.2442 -10.2428 -8.6057 -8.5998 -8.3901 -8.3819 -3.7181 -3.7165 -2.3851 -2.3832 -2.3816 -2.3796 -0.9898 -0.9806 -0.5627 -0.5551 0.1554 0.1570 0.6975 0.7031 0.9478 0.9589 1.5059 1.5184 2.1130 2.1257 2.3609 2.3744 2.7804 2.7886 2.9486 2.9588 3.5929 3.6033 3.6960 3.6960 4.2615 4.2632 4.5961 4.5977 5.2877 5.2934 11.7081 11.7101 12.2207 12.2287 12.7000 12.7078 13.1538 13.1554 13.3576 13.3587 k = 0.1905 0.3069-0.0000 ( 4311 PWs) bands (ev): -13.8473 -13.8472 -13.4776 -13.4776 -10.4387 -10.4380 -10.3038 -10.3025 -8.5927 -8.5866 -8.3947 -8.3865 -3.7049 -3.7033 -2.3460 -2.3418 -2.3346 -2.3317 -1.0193 -1.0102 -0.6073 -0.5994 0.1891 0.1908 0.7610 0.7670 0.8968 0.9080 1.4620 1.4746 2.1605 2.1733 2.3504 2.3643 2.7273 2.7354 2.9321 2.9426 3.5742 3.5845 3.7209 3.7211 4.2199 4.2215 4.6100 4.6117 5.2702 5.2761 11.7803 11.7825 12.2196 12.2280 12.7358 12.7439 13.1680 13.1697 13.3930 13.3941 k = 0.1991 0.3208-0.0000 ( 4305 PWs) bands (ev): -13.8390 -13.8388 -13.4786 -13.4786 -10.4091 -10.4083 -10.3625 -10.3613 -8.5797 -8.5734 -8.4013 -8.3931 -3.6912 -3.6897 -2.3055 -2.3011 -2.2871 -2.2843 -1.0470 -1.0380 -0.6540 -0.6459 0.2243 0.2262 0.8270 0.8332 0.8424 0.8536 1.4188 1.4316 2.2061 2.2191 2.3398 2.3540 2.6722 2.6802 2.9207 2.9313 3.5549 3.5653 3.7477 3.7480 4.1767 4.1783 4.6247 4.6264 5.2517 5.2577 11.8521 11.8547 12.2180 12.2268 12.7661 12.7744 13.1893 13.1910 13.4316 13.4325 k = 0.2078 0.3348-0.0000 ( 4317 PWs) bands (ev): -13.8305 -13.8304 -13.4796 -13.4796 -10.4202 -10.4190 -10.3782 -10.3774 -8.5667 -8.5602 -8.4097 -8.4016 -3.6773 -3.6758 -2.2635 -2.2589 -2.2408 -2.2381 -1.0725 -1.0636 -0.7027 -0.6944 0.2608 0.2629 0.7845 0.7957 0.8951 0.9016 1.3766 1.3894 2.2499 2.2629 2.3290 2.3434 2.6171 2.6250 2.9125 2.9231 3.5353 3.5457 3.7763 3.7767 4.1323 4.1338 4.6402 4.6420 5.2322 5.2383 11.9236 11.9263 12.2160 12.2252 12.7892 12.7975 13.2200 13.2218 13.4714 13.4721 k = 0.2164 0.3487-0.0000 ( 4313 PWs) bands (ev): -13.8220 -13.8219 -13.4805 -13.4805 -10.4767 -10.4757 -10.3461 -10.3452 -8.5539 -8.5471 -8.4197 -8.4117 -3.6634 -3.6619 -2.2201 -2.2153 -2.1959 -2.1933 -1.0956 -1.0868 -0.7532 -0.7446 0.2984 0.3007 0.7232 0.7343 0.9651 0.9720 1.3355 1.3484 2.2917 2.3050 2.3183 2.3328 2.5633 2.5713 2.9062 2.9169 3.5153 3.5259 3.8068 3.8073 4.0868 4.0882 4.6566 4.6584 5.2117 5.2179 11.9944 11.9974 12.2136 12.2233 12.8045 12.8126 13.2613 13.2633 13.5114 13.5118 k = 0.2251 0.3627-0.0000 ( 4313 PWs) bands (ev): -13.8135 -13.8134 -13.4814 -13.4814 -10.5321 -10.5311 -10.3127 -10.3117 -8.5413 -8.5343 -8.4311 -8.4233 -3.6498 -3.6483 -2.1752 -2.1703 -2.1525 -2.1501 -1.1161 -1.1075 -0.8052 -0.7964 0.3368 0.3393 0.6585 0.6694 1.0367 1.0439 1.2957 1.3086 2.3067 2.3218 2.3324 2.3453 2.5116 2.5197 2.9013 2.9119 3.4953 3.5060 3.8391 3.8397 4.0403 4.0417 4.6738 4.6757 5.1902 5.1965 12.0645 12.0678 12.2112 12.2213 12.8124 12.8202 13.3125 13.3147 13.5503 13.5505 k = 0.2337 0.3766-0.0000 ( 4305 PWs) bands (ev): -13.8050 -13.8049 -13.4823 -13.4823 -10.5862 -10.5853 -10.2780 -10.2770 -8.5289 -8.5218 -8.4439 -8.4362 -3.6367 -3.6352 -2.1291 -2.1240 -2.1106 -2.1083 -1.1338 -1.1253 -0.8583 -0.8495 0.3758 0.3786 0.5906 0.6012 1.1098 1.1172 1.2572 1.2702 2.2955 2.3105 2.3708 2.3839 2.4628 2.4711 2.8972 2.9077 3.4752 3.4860 3.8730 3.8737 3.9931 3.9943 4.6919 4.6938 5.1677 5.1740 12.1338 12.1373 12.2088 12.2193 12.8143 12.8219 13.3720 13.3744 13.5778 13.5872 k = 0.2424 0.3906-0.0000 ( 4309 PWs) bands (ev): -13.7966 -13.7965 -13.4831 -13.4831 -10.6391 -10.6383 -10.2421 -10.2410 -8.5171 -8.5097 -8.4578 -8.4502 -3.6242 -3.6228 -2.0818 -2.0765 -2.0703 -2.0682 -1.1486 -1.1403 -0.9124 -0.9034 0.4152 0.4182 0.5196 0.5300 1.1838 1.1916 1.2200 1.2331 2.2834 2.2983 2.4077 2.4160 2.4228 2.4263 2.8934 2.9038 3.4551 3.4661 3.9087 3.9094 3.9452 3.9464 4.7108 4.7128 5.1442 5.1506 12.2019 12.2044 12.2080 12.2175 12.8118 12.8190 13.4379 13.4405 13.5332 13.5426 k = 0.2510 0.4045-0.0000 ( 4309 PWs) bands (ev): -13.7883 -13.7882 -13.4839 -13.4839 -10.6906 -10.6899 -10.2050 -10.2038 -8.5057 -8.4982 -8.4726 -8.4652 -3.6126 -3.6113 -2.0340 -2.0311 -2.0301 -2.0276 -1.1604 -1.1524 -0.9669 -0.9578 0.4458 0.4547 0.4559 0.4580 1.1840 1.1968 1.2589 1.2668 2.2698 2.2842 2.3775 2.3856 2.4437 2.4571 2.8897 2.9000 3.4353 3.4464 3.8968 3.8976 3.9459 3.9470 4.7306 4.7326 5.1199 5.1263 12.2044 12.2157 12.2692 12.2733 12.8062 12.8131 13.4798 13.4883 13.5084 13.5110 k = 0.2597 0.4185-0.0000 ( 4315 PWs) bands (ev): -13.7802 -13.7800 -13.4846 -13.4846 -10.7408 -10.7401 -10.1668 -10.1655 -8.4950 -8.4882 -8.4873 -8.4810 -3.6021 -3.6007 -1.9952 -1.9932 -1.9837 -1.9784 -1.1692 -1.1614 -1.0214 -1.0122 0.3694 0.3792 0.4942 0.4976 1.1491 1.1619 1.3343 1.3425 2.2535 2.2664 2.3444 2.3513 2.4781 2.4915 2.8858 2.8958 3.4159 3.4271 3.8482 3.8489 3.9846 3.9858 4.7512 4.7533 5.0947 5.1012 12.2027 12.2144 12.3345 12.3389 12.7988 12.8054 13.4213 13.4294 13.5811 13.5837 k = 0.2684 0.4324-0.0000 ( 4319 PWs) bands (ev): -13.7721 -13.7720 -13.4852 -13.4852 -10.7895 -10.7889 -10.1273 -10.1260 -8.5045 -8.4975 -8.4850 -8.4773 -3.5926 -3.5913 -1.9601 -1.9582 -1.9338 -1.9283 -1.1751 -1.1674 -1.0753 -1.0660 0.2909 0.3003 0.5333 0.5370 1.1151 1.1279 1.4099 1.4184 2.2333 2.2434 2.3199 2.3242 2.5114 2.5250 2.8814 2.8911 3.3970 3.4084 3.7995 3.8000 4.0247 4.0260 4.7725 4.7747 5.0689 5.0753 12.2015 12.2135 12.3973 12.4021 12.7911 12.7975 13.3592 13.3668 13.6534 13.6553 k = 0.2770 0.4464-0.0000 ( 4315 PWs) bands (ev): -13.7643 -13.7642 -13.4858 -13.4858 -10.8368 -10.8362 -10.0868 -10.0854 -8.5213 -8.5144 -8.4760 -8.4681 -3.5844 -3.5832 -1.9267 -1.9250 -1.8835 -1.8779 -1.1781 -1.1705 -1.1279 -1.1187 0.2103 0.2194 0.5719 0.5757 1.0818 1.0945 1.4855 1.4943 2.2094 2.2162 2.3030 2.3044 2.5439 2.5575 2.8762 2.8855 3.3788 3.3903 3.7508 3.7511 4.0662 4.0676 4.7946 4.7969 5.0424 5.0489 12.2006 12.2130 12.4563 12.4613 12.7848 12.7910 13.2950 13.3020 13.7105 13.7106 k = 0.2857 0.4603-0.0000 ( 4311 PWs) bands (ev): -13.7567 -13.7566 -13.4862 -13.4862 -10.8825 -10.8820 -10.0452 -10.0437 -8.5384 -8.5318 -8.4679 -8.4599 -3.5774 -3.5762 -1.8951 -1.8936 -1.8333 -1.8278 -1.1825 -1.1743 -1.1708 -1.1692 0.1282 0.1369 0.6097 0.6136 1.0490 1.0617 1.5607 1.5697 2.1834 2.1876 2.2903 2.2911 2.5756 2.5892 2.8699 2.8788 3.3614 3.3730 3.7024 3.7025 4.1089 4.1105 4.8174 4.8198 5.0155 5.0219 12.2001 12.2128 12.5088 12.5139 12.7832 12.7890 13.2298 13.2364 13.7349 13.7350 k = 0.2943 0.4743-0.0000 ( 4311 PWs) bands (ev): -13.7493 -13.7492 -13.4866 -13.4866 -10.9267 -10.9262 -10.0026 -10.0010 -8.5558 -8.5494 -8.4609 -8.4528 -3.5718 -3.5706 -1.8652 -1.8638 -1.7842 -1.7787 -1.2270 -1.2168 -1.1747 -1.1683 0.0448 0.0531 0.6464 0.6505 1.0165 1.0292 1.6352 1.6445 2.1573 2.1598 2.2800 2.2819 2.6067 2.6203 2.8624 2.8707 3.3450 3.3568 3.6542 3.6547 4.1527 4.1544 4.8409 4.8433 4.9881 4.9945 12.2000 12.2130 12.5504 12.5552 12.7909 12.7960 13.1648 13.1710 13.7488 13.7491 k = 0.3030 0.4882-0.0000 ( 4307 PWs) bands (ev): -13.7422 -13.7421 -13.4869 -13.4868 -10.9693 -10.9689 -9.9590 -9.9573 -8.5732 -8.5670 -8.4552 -8.4470 -3.5673 -3.5662 -1.8369 -1.8357 -1.7375 -1.7321 -1.2696 -1.2593 -1.1696 -1.1633 -0.0396 -0.0317 0.6819 0.6861 0.9840 0.9967 1.7088 1.7183 2.1322 2.1337 2.2721 2.2746 2.6373 2.6509 2.8534 2.8611 3.3298 3.3416 3.6066 3.6076 4.1976 4.1994 4.8649 4.8674 4.9605 4.9668 12.2001 12.2133 12.5764 12.5802 12.8131 12.8169 13.1010 13.1067 13.7581 13.7585 k = 0.3116 0.5022-0.0000 ( 4307 PWs) bands (ev): -13.7354 -13.7353 -13.4870 -13.4870 -11.0103 -11.0099 -9.9145 -9.9127 -8.5907 -8.5847 -8.4508 -8.4426 -3.5642 -3.5630 -1.8102 -1.8091 -1.6956 -1.6905 -1.3048 -1.2942 -1.1621 -1.1561 -0.1246 -0.1171 0.7159 0.7202 0.9514 0.9641 1.7812 1.7909 2.1091 2.1099 2.2658 2.2684 2.6674 2.6811 2.8427 2.8496 3.3156 3.3277 3.5599 3.5615 4.2433 4.2454 4.8894 4.8921 4.9328 4.9390 12.2003 12.2136 12.5857 12.5882 12.8508 12.8529 13.0393 13.0446 13.7640 13.7644 k = 0.3203 0.5161-0.0000 ( 4307 PWs) bands (ev): -13.7289 -13.7288 -13.4871 -13.4871 -11.0497 -11.0493 -9.8692 -9.8672 -8.6080 -8.6023 -8.4479 -8.4396 -3.5622 -3.5611 -1.7851 -1.7840 -1.6627 -1.6579 -1.3281 -1.3172 -1.1525 -1.1468 -0.2100 -0.2028 0.7483 0.7527 0.9185 0.9311 1.8520 1.8618 2.0881 2.0886 2.2608 2.2632 2.6973 2.7109 2.8302 2.8363 3.3027 3.3150 3.5143 3.5167 4.2899 4.2921 4.9051 4.9110 4.9144 4.9173 12.2002 12.2136 12.5822 12.5836 12.8996 12.9003 12.9806 12.9854 13.7670 13.7673 k = 0.3290 0.5301-0.0000 ( 4315 PWs) bands (ev): -13.7227 -13.7226 -13.4870 -13.4870 -11.0873 -11.0870 -9.8231 -9.8209 -8.6251 -8.6196 -8.4466 -8.4383 -3.5613 -3.5602 -1.7613 -1.7604 -1.6437 -1.6391 -1.3342 -1.3230 -1.1412 -1.1357 -0.2954 -0.2886 0.7789 0.7833 0.8849 0.8975 1.9209 1.9309 2.0697 2.0699 2.2568 2.2589 2.7268 2.7403 2.8157 2.8209 3.2908 3.3035 3.4702 3.4735 4.3372 4.3396 4.8775 4.8834 4.9396 4.9425 12.1996 12.2128 12.5708 12.5715 12.9254 12.9297 12.9547 12.9548 13.7675 13.7678 k = 0.3376 0.5440-0.0000 ( 4312 PWs) bands (ev): -13.7169 -13.7168 -13.4868 -13.4868 -11.1233 -11.1230 -9.7762 -9.7740 -8.6419 -8.6367 -8.4470 -8.4387 -3.5614 -3.5604 -1.7390 -1.7381 -1.6415 -1.6370 -1.3200 -1.3088 -1.1283 -1.1231 -0.3804 -0.3741 0.8075 0.8119 0.8506 0.8632 1.9878 1.9978 2.0538 2.0538 2.2537 2.2552 2.7561 2.7695 2.7993 2.8034 3.2798 3.2930 3.4279 3.4325 4.3850 4.3876 4.8502 4.8560 4.9650 4.9680 12.1980 12.2110 12.5547 12.5549 12.8756 12.8791 13.0119 13.0128 13.7660 13.7662 k = 0.3463 0.5580-0.0000 ( 4316 PWs) bands (ev): -13.7114 -13.7113 -13.4866 -13.4866 -11.1576 -11.1573 -9.7287 -9.7263 -8.6583 -8.6533 -8.4492 -8.4409 -3.5624 -3.5614 -1.7179 -1.7171 -1.6533 -1.6487 -1.2882 -1.2772 -1.1141 -1.1092 -0.4649 -0.4589 0.8150 0.8272 0.8350 0.8390 2.0401 2.0404 2.0523 2.0626 2.2513 2.2521 2.7808 2.7828 2.7862 2.7984 3.2690 3.2832 3.3880 3.3942 4.4332 4.4359 4.8233 4.8289 4.9904 4.9936 12.1950 12.2074 12.5359 12.5359 12.8313 12.8338 13.0709 13.0723 13.7492 13.7564 k = 0.3463 0.5580-0.0000 ( 4316 PWs) bands (ev): -13.7114 -13.7113 -13.4866 -13.4866 -11.1576 -11.1573 -9.7287 -9.7263 -8.6583 -8.6533 -8.4492 -8.4409 -3.5624 -3.5614 -1.7179 -1.7171 -1.6533 -1.6487 -1.2882 -1.2772 -1.1141 -1.1092 -0.4649 -0.4589 0.8150 0.8272 0.8350 0.8390 2.0401 2.0404 2.0523 2.0626 2.2513 2.2521 2.7808 2.7828 2.7862 2.7984 3.2690 3.2832 3.3880 3.3942 4.4332 4.4359 4.8233 4.8289 4.9904 4.9936 12.1950 12.2074 12.5359 12.5359 12.8313 12.8338 13.0709 13.0723 13.7492 13.7564 k = 0.3298 0.5580-0.0000 ( 4308 PWs) bands (ev): -13.7144 -13.7143 -13.4868 -13.4868 -11.1389 -11.1386 -9.7543 -9.7520 -8.6496 -8.6445 -8.4477 -8.4394 -3.5613 -3.5603 -1.7562 -1.7552 -1.6220 -1.6183 -1.3063 -1.2953 -1.1201 -1.1151 -0.4190 -0.4128 0.8178 0.8223 0.8369 0.8491 2.0142 2.0234 2.0504 2.0517 2.2524 2.2536 2.7601 2.7716 2.8003 2.8062 3.2747 3.2883 3.4098 3.4151 4.4076 4.4103 4.8370 4.8427 4.9779 4.9810 12.1973 12.2100 12.5445 12.5452 12.8520 12.8551 13.0406 13.0418 13.7395 13.7420 k = 0.3133 0.5580-0.0000 ( 4304 PWs) bands (ev): -13.7179 -13.7177 -13.4872 -13.4872 -11.1182 -11.1179 -9.7806 -9.7784 -8.6408 -8.6355 -8.4466 -8.4383 -3.5593 -3.5583 -1.8143 -1.8131 -1.5819 -1.5789 -1.3193 -1.3081 -1.1220 -1.1169 -0.3707 -0.3644 0.7992 0.8036 0.8600 0.8726 1.9740 1.9838 2.0611 2.0618 2.2531 2.2548 2.7358 2.7483 2.8191 2.8244 3.2799 3.2931 3.4337 3.4384 4.3823 4.3848 4.8491 4.8547 4.9681 4.9709 12.2005 12.2134 12.5498 12.5512 12.8689 12.8728 13.0138 13.0146 13.7239 13.7265 k = 0.2968 0.5580-0.0000 ( 4311 PWs) bands (ev): -13.7216 -13.7215 -13.4877 -13.4877 -11.0956 -11.0953 -9.8076 -9.8054 -8.6318 -8.6264 -8.4457 -8.4374 -3.5564 -3.5553 -1.8781 -1.8770 -1.5481 -1.5453 -1.3264 -1.3153 -1.1190 -1.1138 -0.3207 -0.3142 0.7776 0.7819 0.8861 0.8987 1.9309 1.9409 2.0731 2.0739 2.2527 2.2548 2.7117 2.7247 2.8380 2.8430 3.2847 3.2975 3.4590 3.4634 4.3577 4.3601 4.8582 4.8632 4.9624 4.9645 12.2051 12.2181 12.5521 12.5543 12.8786 12.8830 12.9929 12.9932 13.7128 13.7157 k = 0.2803 0.5580-0.0000 ( 4316 PWs) bands (ev): -13.7256 -13.7255 -13.4884 -13.4884 -11.0713 -11.0709 -9.8352 -9.8331 -8.6227 -8.6171 -8.4452 -8.4369 -3.5523 -3.5512 -1.9451 -1.9441 -1.5242 -1.5214 -1.3274 -1.3168 -1.1095 -1.1042 -0.2694 -0.2629 0.7537 0.7579 0.9147 0.9273 1.8853 1.8954 2.0860 2.0873 2.2505 2.2532 2.6888 2.7021 2.8570 2.8619 3.2889 3.3014 3.4848 3.4890 4.3341 4.3363 4.8627 4.8668 4.9623 4.9635 12.2115 12.2246 12.5520 12.5549 12.8772 12.8816 12.9802 12.9811 13.7074 13.7106 k = 0.2638 0.5580-0.0000 ( 4321 PWs) bands (ev): -13.7298 -13.7297 -13.4892 -13.4892 -11.0452 -11.0449 -9.8636 -9.8615 -8.6135 -8.6078 -8.4450 -8.4367 -3.5471 -3.5458 -2.0137 -2.0128 -1.5109 -1.5079 -1.3239 -1.3143 -1.0919 -1.0867 -0.2176 -0.2110 0.7281 0.7322 0.9457 0.9583 1.8374 1.8475 2.0992 2.1014 2.2459 2.2492 2.6678 2.6811 2.8760 2.8808 3.2922 3.3046 3.5103 3.5145 4.3119 4.3139 4.8621 4.8651 4.9678 4.9683 12.2198 12.2329 12.5501 12.5537 12.8647 12.8687 12.9748 12.9771 13.7086 13.7119 k = 0.2473 0.5580-0.0000 ( 4321 PWs) bands (ev): -13.7341 -13.7340 -13.4902 -13.4901 -11.0177 -11.0173 -9.8926 -9.8906 -8.6042 -8.5985 -8.4451 -8.4369 -3.5404 -3.5391 -2.0832 -2.0824 -1.5065 -1.5033 -1.3187 -1.3103 -1.0657 -1.0606 -0.1657 -0.1591 0.7015 0.7054 0.9788 0.9915 1.7875 1.7977 2.1118 2.1154 2.2387 2.2431 2.6494 2.6624 2.8950 2.8997 3.2947 3.3069 3.5350 3.5393 4.2916 4.2933 4.8576 4.8597 4.9769 4.9782 12.2302 12.2433 12.5470 12.5511 12.8452 12.8490 12.9723 12.9756 13.7164 13.7199 k = 0.2309 0.5580-0.0000 ( 4323 PWs) bands (ev): -13.7384 -13.7383 -13.4912 -13.4912 -10.9887 -10.9883 -9.9223 -9.9204 -8.5950 -8.5891 -8.4455 -8.4373 -3.5323 -3.5310 -2.1528 -2.1521 -1.5081 -1.5047 -1.3144 -1.3073 -1.0314 -1.0265 -0.1143 -0.1079 0.6746 0.6783 1.0141 1.0267 1.7359 1.7460 2.1220 2.1278 2.2299 2.2359 2.6339 2.6465 2.9139 2.9186 3.2961 3.3081 3.5583 3.5627 4.2733 4.2748 4.8508 4.8523 4.9885 4.9905 12.2428 12.2559 12.5432 12.5479 12.8227 12.8265 12.9684 12.9724 13.7309 13.7344 k = 0.2144 0.5580-0.0000 ( 4323 PWs) bands (ev): -13.7427 -13.7426 -13.4924 -13.4923 -10.9585 -10.9581 -9.9526 -9.9508 -8.5859 -8.5799 -8.4462 -8.4380 -3.5227 -3.5213 -2.2220 -2.2214 -1.5132 -1.5098 -1.3120 -1.3061 -0.9909 -0.9862 -0.0643 -0.0581 0.6483 0.6516 1.0512 1.0638 1.6827 1.6928 2.1264 2.1350 2.2225 2.2305 2.6216 2.6336 2.9327 2.9373 3.2963 3.3081 3.5795 3.5841 4.2574 4.2587 4.8430 4.8442 5.0014 5.0038 12.2574 12.2704 12.5395 12.5446 12.7992 12.8031 12.9614 12.9659 13.7511 13.7546 k = 0.1979 0.5580-0.0000 ( 4317 PWs) bands (ev): -13.7468 -13.7467 -13.4936 -13.4935 -10.9272 -10.9267 -9.9835 -9.9817 -8.5768 -8.5707 -8.4472 -8.4390 -3.5114 -3.5100 -2.2903 -2.2897 -1.5202 -1.5168 -1.3114 -1.3065 -0.9461 -0.9415 -0.0166 -0.0107 0.6238 0.6266 1.0900 1.1026 1.6282 1.6382 2.1207 2.1315 2.2219 2.2311 2.6122 2.6235 2.9513 2.9559 3.2951 3.3068 3.5984 3.6033 4.2440 4.2451 4.8352 4.8362 5.0146 5.0173 12.2739 12.2868 12.5363 12.5419 12.7756 12.7797 12.9511 12.9559 13.7757 13.7792 k = 0.1814 0.5580-0.0000 ( 4320 PWs) bands (ev): -13.7509 -13.7508 -13.4948 -13.4948 -10.8949 -10.8945 -10.0149 -10.0132 -8.5679 -8.5617 -8.4484 -8.4404 -3.4985 -3.4970 -2.3573 -2.3567 -1.5280 -1.5247 -1.3122 -1.3081 -0.8987 -0.8941 0.0275 0.0328 0.6026 0.6047 1.1303 1.1429 1.5725 1.5825 2.1038 2.1150 2.2303 2.2392 2.6055 2.6159 2.9697 2.9742 3.2925 3.3040 3.6149 3.6198 4.2333 4.2343 4.8279 4.8288 5.0276 5.0304 12.2920 12.3048 12.5343 12.5402 12.7523 12.7565 12.9379 12.9429 13.8028 13.8063 k = 0.1649 0.5580-0.0000 ( 4327 PWs) bands (ev): -13.7547 -13.7546 -13.4961 -13.4960 -10.8620 -10.8615 -10.0467 -10.0451 -8.5591 -8.5528 -8.4500 -8.4420 -3.4840 -3.4825 -2.4224 -2.4218 -1.5361 -1.5330 -1.3139 -1.3104 -0.8499 -0.8455 0.0661 0.0707 0.5867 0.5880 1.1720 1.1846 1.5160 1.5258 2.0779 2.0889 2.2447 2.2525 2.6007 2.6104 2.9879 2.9924 3.2884 3.2995 3.6287 3.6337 4.2251 4.2260 4.8213 4.8221 5.0399 5.0428 12.3115 12.3242 12.5339 12.5401 12.7294 12.7338 12.9222 12.9273 13.8289 13.8325 k = 0.1484 0.5580-0.0000 ( 4331 PWs) bands (ev): -13.7583 -13.7582 -13.4973 -13.4972 -10.8286 -10.8280 -10.0788 -10.0773 -8.5506 -8.5442 -8.4519 -8.4440 -3.4680 -3.4665 -2.4853 -2.4847 -1.5440 -1.5412 -1.3161 -1.3131 -0.8009 -0.7966 0.0972 0.1007 0.5785 0.5790 1.2148 1.2273 1.4587 1.4685 2.0458 2.0567 2.2618 2.2687 2.5974 2.6063 3.0058 3.0103 3.2826 3.2934 3.6400 3.6450 4.2193 4.2202 4.8156 4.8165 5.0514 5.0542 12.3320 12.3445 12.5356 12.5420 12.7071 12.7115 12.9047 12.9099 13.8465 13.8497 k = 0.1319 0.5580-0.0000 ( 4333 PWs) bands (ev): -13.7617 -13.7616 -13.4985 -13.4984 -10.7949 -10.7943 -10.1110 -10.1096 -8.5424 -8.5359 -8.4541 -8.4463 -3.4505 -3.4491 -2.5454 -2.5448 -1.5516 -1.5490 -1.3184 -1.3159 -0.7525 -0.7483 0.1185 0.1208 0.5793 0.5810 1.2582 1.2708 1.4014 1.4109 2.0096 2.0205 2.2798 2.2860 2.5951 2.6033 3.0234 3.0279 3.2752 3.2856 3.6491 3.6540 4.2155 4.2165 4.8110 4.8118 5.0618 5.0644 12.3529 12.3651 12.5398 12.5462 12.6856 12.6900 12.8859 12.8912 13.8448 13.8472 k = 0.1154 0.5580-0.0000 ( 4333 PWs) bands (ev): -13.7647 -13.7646 -13.4996 -13.4995 -10.7613 -10.7608 -10.1431 -10.1418 -8.5344 -8.5279 -8.4566 -8.4489 -3.4320 -3.4306 -2.6023 -2.6016 -1.5585 -1.5562 -1.3207 -1.3186 -0.7055 -0.7015 0.1291 0.1301 0.5915 0.5946 1.2993 1.3122 1.3467 1.3559 1.9703 1.9813 2.2979 2.3034 2.5933 2.6008 3.0407 3.0453 3.2664 3.2762 3.6562 3.6608 4.2135 4.2145 4.8073 4.8081 5.0710 5.0735 12.3737 12.3856 12.5464 12.5527 12.6655 12.6696 12.8661 12.8715 13.8277 13.8299 k = 0.0989 0.5580-0.0000 ( 4328 PWs) bands (ev): -13.7674 -13.7673 -13.5006 -13.5005 -10.7283 -10.7277 -10.1747 -10.1735 -8.5268 -8.5202 -8.4594 -8.4518 -3.4127 -3.4113 -2.6552 -2.6546 -1.5647 -1.5627 -1.3229 -1.3211 -0.6607 -0.6571 0.1293 0.1295 0.6148 0.6193 1.2797 1.2898 1.3535 1.3651 1.9290 1.9399 2.3152 2.3201 2.5919 2.5986 3.0577 3.0623 3.2561 3.2654 3.6617 3.6659 4.2128 4.2138 4.8046 4.8054 5.0791 5.0813 12.3940 12.4054 12.5548 12.5607 12.6481 12.6513 12.8454 12.8510 13.8053 13.8075 k = 0.0824 0.5580-0.0000 ( 4334 PWs) bands (ev): -13.7697 -13.7696 -13.5014 -13.5014 -10.6964 -10.6958 -10.2053 -10.2041 -8.5195 -8.5129 -8.4625 -8.4550 -3.3933 -3.3920 -2.7035 -2.7028 -1.5701 -1.5684 -1.3248 -1.3234 -0.6192 -0.6159 0.1210 0.1218 0.6475 0.6531 1.2235 1.2329 1.3976 1.4094 1.8861 1.8971 2.3313 2.3356 2.5906 2.5964 3.0743 3.0790 3.2448 3.2534 3.6659 3.6696 4.2129 4.2138 4.8027 4.8034 5.0859 5.0878 12.4134 12.4244 12.5619 12.5676 12.6360 12.6379 12.8241 12.8298 13.7826 13.7847 k = 0.0660 0.5580-0.0000 ( 4336 PWs) bands (ev): -13.7716 -13.7716 -13.5022 -13.5022 -10.6664 -10.6659 -10.2340 -10.2330 -8.5127 -8.5062 -8.4657 -8.4586 -3.3746 -3.3735 -2.7460 -2.7453 -1.5745 -1.5732 -1.3265 -1.3253 -0.5820 -0.5791 0.1083 0.1095 0.6871 0.6934 1.1668 1.1757 1.4431 1.4548 1.8425 1.8534 2.3456 2.3492 2.5894 2.5943 3.0904 3.0951 3.2327 3.2406 3.6690 3.6721 4.2135 4.2144 4.8015 4.8021 5.0915 5.0931 12.4319 12.4424 12.5616 12.5682 12.6330 12.6369 12.8020 12.8079 13.7617 13.7635 k = 0.0495 0.5580-0.0000 ( 4338 PWs) bands (ev): -13.7731 -13.7731 -13.5028 -13.5028 -10.6396 -10.6391 -10.2598 -10.2590 -8.5063 -8.5001 -8.4691 -8.4623 -3.3576 -3.3567 -2.7815 -2.7809 -1.5780 -1.5770 -1.3277 -1.3269 -0.5505 -0.5482 0.0943 0.0955 0.7308 0.7373 1.1116 1.1200 1.4884 1.4997 1.7989 1.8096 2.3576 2.3604 2.5884 2.5923 3.1058 3.1103 3.2203 3.2273 3.6714 3.6737 4.2144 4.2150 4.8008 4.8013 5.0958 5.0970 12.4497 12.4597 12.5517 12.5594 12.6426 12.6486 12.7793 12.7854 13.7441 13.7456 k = 0.0330 0.5580-0.0000 ( 4338 PWs) bands (ev): -13.7742 -13.7742 -13.5032 -13.5032 -10.6177 -10.6174 -10.2808 -10.2802 -8.5006 -8.4951 -8.4721 -8.4663 -3.3439 -3.3432 -2.8085 -2.8081 -1.5805 -1.5798 -1.3286 -1.3281 -0.5262 -0.5246 0.0819 0.0829 0.7750 0.7812 1.0606 1.0680 1.5321 1.5425 1.7570 1.7670 2.3667 2.3687 2.5878 2.5905 3.1198 3.1239 3.2088 3.2145 3.6730 3.6746 4.2152 4.2157 4.8005 4.8008 5.0989 5.0998 12.4669 12.4764 12.5369 12.5451 12.6607 12.6673 12.7560 12.7623 13.7308 13.7318 k = 0.0165 0.5580-0.0000 ( 4342 PWs) bands (ev): -13.7749 -13.7749 -13.5035 -13.5035 -10.6030 -10.6028 -10.2949 -10.2946 -8.4957 -8.4921 -8.4738 -8.4701 -3.3347 -3.3344 -2.8255 -2.8252 -1.5819 -1.5816 -1.3291 -1.3288 -0.5107 -0.5098 0.0735 0.0740 0.8137 0.8182 1.0197 1.0248 1.5705 1.5782 1.7217 1.7293 2.3726 2.3737 2.5876 2.5890 3.1312 3.1339 3.2000 3.2036 3.6742 3.6750 4.2158 4.2160 4.8004 4.8005 5.1009 5.1013 12.4838 12.4924 12.5209 12.5290 12.6824 12.6890 12.7326 12.7389 13.7226 13.7231 k = 0.0000 0.5580-0.0000 ( 4344 PWs) bands (ev): -13.7751 -13.7751 -13.5036 -13.5036 -10.5977 -10.5977 -10.2998 -10.2998 -8.4924 -8.4924 -8.4730 -8.4730 -3.3314 -3.3314 -2.8312 -2.8312 -1.5823 -1.5823 -1.3292 -1.3292 -0.5050 -0.5050 0.0707 0.0707 0.8328 0.8328 1.0040 1.0040 1.5916 1.5916 1.7084 1.7084 2.3750 2.3750 2.5880 2.5880 3.1369 3.1369 3.1978 3.1978 3.6748 3.6748 4.2161 4.2161 4.8004 4.8004 5.1017 5.1017 12.4986 12.4986 12.5145 12.5145 12.7024 12.7024 12.7186 12.7186 13.7200 13.7200 k = 0.0000 0.5580-0.0000 ( 4344 PWs) bands (ev): -13.7751 -13.7751 -13.5036 -13.5036 -10.5977 -10.5977 -10.2998 -10.2998 -8.4924 -8.4924 -8.4730 -8.4730 -3.3314 -3.3314 -2.8312 -2.8312 -1.5823 -1.5823 -1.3292 -1.3292 -0.5050 -0.5050 0.0707 0.0707 0.8328 0.8328 1.0040 1.0040 1.5916 1.5916 1.7084 1.7084 2.3750 2.3750 2.5880 2.5880 3.1369 3.1369 3.1978 3.1978 3.6748 3.6748 4.2161 4.2161 4.8004 4.8004 5.1017 5.1017 12.4986 12.4986 12.5145 12.5145 12.7024 12.7024 12.7186 12.7186 13.7200 13.7200 k = 0.0000 0.5580 0.0163 ( 4338 PWs) bands (ev): -13.7749 -13.7749 -13.5037 -13.5037 -10.5969 -10.5969 -10.2991 -10.2991 -8.4940 -8.4939 -8.4748 -8.4748 -3.3310 -3.3308 -2.8308 -2.8307 -1.5816 -1.5816 -1.3270 -1.3266 -0.5032 -0.5031 0.0708 0.0708 0.8304 0.8304 1.0015 1.0017 1.5912 1.5913 1.7096 1.7096 2.3731 2.3731 2.5887 2.5887 3.1382 3.1382 3.1987 3.1989 3.6744 3.6746 4.2165 4.2167 4.8003 4.8003 5.1014 5.1014 12.4936 12.4948 12.5078 12.5080 12.7071 12.7079 12.7171 12.7173 13.7236 13.7236 k = 0.0000 0.5580 0.0326 ( 4340 PWs) bands (ev): -13.7743 -13.7743 -13.5040 -13.5040 -10.5944 -10.5943 -10.2971 -10.2970 -8.4988 -8.4986 -8.4802 -8.4801 -3.3295 -3.3292 -2.8295 -2.8292 -1.5797 -1.5796 -1.3200 -1.3194 -0.4977 -0.4973 0.0711 0.0712 0.8234 0.8234 0.9943 0.9947 1.5900 1.5903 1.7131 1.7132 2.3675 2.3675 2.5908 2.5908 3.1420 3.1422 3.2016 3.2020 3.6733 3.6736 4.2180 4.2183 4.8001 4.8002 5.1005 5.1006 12.4797 12.4822 12.4900 12.4909 12.7086 12.7097 12.7246 12.7252 13.7339 13.7340 k = 0.0000 0.5580 0.0489 ( 4344 PWs) bands (ev): -13.7733 -13.7733 -13.5045 -13.5045 -10.5902 -10.5901 -10.2938 -10.2936 -8.5067 -8.5063 -8.4890 -8.4890 -3.3269 -3.3265 -2.8273 -2.8269 -1.5764 -1.5763 -1.3084 -1.3075 -0.4885 -0.4879 0.0716 0.0718 0.8118 0.8118 0.9827 0.9832 1.5880 1.5884 1.7186 1.7188 2.3585 2.3585 2.5942 2.5943 3.1483 3.1485 3.2064 3.2071 3.6714 3.6719 4.2205 4.2210 4.7997 4.7998 5.0991 5.0991 12.4565 12.4598 12.4666 12.4678 12.6998 12.7011 12.7448 12.7458 13.7496 13.7498 k = 0.0000 0.5580 0.0652 ( 4344 PWs) bands (ev): -13.7719 -13.7719 -13.5052 -13.5052 -10.5843 -10.5843 -10.2891 -10.2889 -8.5177 -8.5172 -8.5013 -8.5013 -3.3233 -3.3227 -2.8243 -2.8238 -1.5719 -1.5718 -1.2923 -1.2910 -0.4755 -0.4747 0.0723 0.0726 0.7961 0.7961 0.9669 0.9676 1.5852 1.5857 1.7259 1.7261 2.3464 2.3465 2.5988 2.5989 3.1565 3.1567 3.2131 3.2141 3.6688 3.6695 4.2240 4.2247 4.7992 4.7993 5.0970 5.0971 12.4267 12.4296 12.4394 12.4401 12.6879 12.6893 12.7686 12.7696 13.7687 13.7691 k = 0.0000 0.5580 0.0815 ( 4332 PWs) bands (ev): -13.7701 -13.7701 -13.5061 -13.5061 -10.5767 -10.5767 -10.2830 -10.2828 -8.5316 -8.5310 -8.5170 -8.5169 -3.3187 -3.3179 -2.8205 -2.8199 -1.5662 -1.5660 -1.2718 -1.2703 -0.4587 -0.4578 0.0731 0.0734 0.7766 0.7767 0.9476 0.9485 1.5814 1.5820 1.7344 1.7346 2.3319 2.3320 2.6045 2.6046 3.1661 3.1665 3.2217 3.2228 3.6655 3.6663 4.2285 4.2293 4.7984 4.7986 5.0944 5.0945 12.3934 12.3959 12.4073 12.4077 12.6738 12.6753 12.7939 12.7948 13.7886 13.7893 k = 0.0000 0.5580 0.0978 ( 4330 PWs) bands (ev): -13.7680 -13.7679 -13.5073 -13.5072 -10.5675 -10.5675 -10.2756 -10.2753 -8.5485 -8.5477 -8.5359 -8.5358 -3.3130 -3.3121 -2.8160 -2.8154 -1.5593 -1.5591 -1.2472 -1.2454 -0.4383 -0.4372 0.0740 0.0744 0.7540 0.7541 0.9251 0.9262 1.5767 1.5774 1.7435 1.7438 2.3154 2.3156 2.6110 2.6111 3.1768 3.1772 3.2319 3.2332 3.6615 3.6624 4.2339 4.2348 4.7974 4.7976 5.0912 5.0913 12.3582 12.3607 12.3709 12.3716 12.6581 12.6596 12.8197 12.8205 13.8069 13.8080 k = 0.0000 0.5580 0.1142 ( 4324 PWs) bands (ev): -13.7654 -13.7654 -13.5086 -13.5086 -10.5566 -10.5566 -10.2669 -10.2666 -8.5683 -8.5674 -8.5579 -8.5577 -3.3063 -3.3053 -2.8111 -2.8103 -1.5513 -1.5510 -1.2187 -1.2166 -0.4143 -0.4130 0.0747 0.0752 0.7288 0.7290 0.9001 0.9014 1.5710 1.5717 1.7528 1.7530 2.2978 2.2979 2.6182 2.6183 3.1880 3.1885 3.2436 3.2451 3.6567 3.6578 4.2400 4.2412 4.7961 4.7963 5.0873 5.0874 12.3219 12.3249 12.3317 12.3333 12.6412 12.6426 12.8457 12.8462 13.8213 13.8228 k = 0.0000 0.5580 0.1305 ( 4326 PWs) bands (ev): -13.7625 -13.7625 -13.5102 -13.5101 -10.5441 -10.5440 -10.2568 -10.2564 -8.5910 -8.5899 -8.5827 -8.5824 -3.2985 -3.2974 -2.8056 -2.8048 -1.5422 -1.5418 -1.1868 -1.1844 -0.3867 -0.3852 0.0752 0.0758 0.7018 0.7020 0.8730 0.8744 1.5642 1.5650 1.7615 1.7617 2.2795 2.2797 2.6258 2.6259 3.1992 3.1997 3.2566 3.2582 3.6512 3.6524 4.2469 4.2482 4.7944 4.7947 5.0829 5.0830 12.2842 12.2880 12.2924 12.2951 12.6235 12.6247 12.8714 12.8716 13.8305 13.8324 k = 0.0000 0.5580 0.1468 ( 4324 PWs) bands (ev): -13.7592 -13.7592 -13.5119 -13.5119 -10.5299 -10.5299 -10.2454 -10.2450 -8.6168 -8.6155 -8.6097 -8.6094 -3.2898 -3.2886 -2.7999 -2.7991 -1.5320 -1.5316 -1.1517 -1.1490 -0.3555 -0.3539 0.0753 0.0760 0.6736 0.6739 0.8442 0.8458 1.5563 1.5572 1.7691 1.7692 2.2613 2.2615 2.6335 2.6336 3.2099 3.2106 3.2706 3.2723 3.6451 3.6465 4.2543 4.2557 4.7924 4.7927 5.0779 5.0780 12.2447 12.2474 12.2575 12.2595 12.6053 12.6064 12.8964 12.8965 13.8342 13.8364 k = 0.0000 0.5580 0.1631 ( 4326 PWs) bands (ev): -13.7556 -13.7556 -13.5139 -13.5139 -10.5141 -10.5140 -10.2326 -10.2322 -8.6459 -8.6448 -8.6382 -8.6381 -3.2800 -3.2788 -2.7941 -2.7932 -1.5209 -1.5204 -1.1139 -1.1110 -0.3211 -0.3193 0.0746 0.0755 0.6452 0.6456 0.8143 0.8161 1.5475 1.5485 1.7750 1.7751 2.2438 2.2441 2.6413 2.6413 3.2199 3.2207 3.2852 3.2871 3.6386 3.6401 4.2621 4.2637 4.7900 4.7903 5.0722 5.0724 12.2046 12.2063 12.2255 12.2271 12.5870 12.5879 12.9202 12.9207 13.8330 13.8354 k = 0.0000 0.5580 0.1794 ( 4324 PWs) bands (ev): -13.7517 -13.7516 -13.5161 -13.5161 -10.4967 -10.4966 -10.2186 -10.2181 -8.6783 -8.6774 -8.6682 -8.6680 -3.2693 -3.2679 -2.7882 -2.7873 -1.5087 -1.5081 -1.0740 -1.0708 -0.2834 -0.2815 0.0730 0.0740 0.6175 0.6180 0.7836 0.7856 1.5377 1.5387 1.7787 1.7787 2.2277 2.2281 2.6487 2.6488 3.2287 3.2296 3.3000 3.3019 3.6320 3.6336 4.2702 4.2719 4.7871 4.7875 5.0659 5.0661 12.1654 12.1666 12.1963 12.1978 12.5689 12.5697 12.9428 12.9436 13.8281 13.8306 k = 0.0000 0.5580 0.1957 ( 4328 PWs) bands (ev): -13.7475 -13.7474 -13.5185 -13.5185 -10.4776 -10.4775 -10.2032 -10.2027 -8.7135 -8.7128 -8.7000 -8.6996 -3.2577 -3.2562 -2.7825 -2.7817 -1.4956 -1.4949 -1.0324 -1.0290 -0.2428 -0.2408 0.0700 0.0712 0.5914 0.5921 0.7525 0.7548 1.5270 1.5281 1.7796 1.7796 2.2136 2.2140 2.6557 2.6558 3.2362 3.2372 3.3143 3.3163 3.6256 3.6274 4.2782 4.2801 4.7839 4.7843 5.0590 5.0592 12.1285 12.1292 12.1704 12.1719 12.5515 12.5520 12.9637 12.9648 13.8211 13.8236 k = 0.0000 0.5580 0.2120 ( 4328 PWs) bands (ev): -13.7429 -13.7428 -13.5212 -13.5211 -10.4570 -10.4569 -10.1866 -10.1860 -8.7511 -8.7505 -8.7334 -8.7328 -3.2451 -3.2435 -2.7771 -2.7763 -1.4816 -1.4807 -0.9899 -0.9862 -0.1995 -0.1973 0.0652 0.0667 0.5681 0.5690 0.7215 0.7240 1.5156 1.5166 1.7773 1.7774 2.2019 2.2025 2.6621 2.6622 3.2422 3.2432 3.3274 3.3294 3.6202 3.6221 4.2859 4.2879 4.7804 4.7808 5.0514 5.0517 12.0946 12.0950 12.1483 12.1498 12.5349 12.5353 12.9824 12.9840 13.8129 13.8155 k = 0.0000 0.5580 0.2283 ( 4338 PWs) bands (ev): -13.7381 -13.7380 -13.5240 -13.5240 -10.4348 -10.4347 -10.1687 -10.1681 -8.7907 -8.7902 -8.7684 -8.7677 -3.2317 -3.2300 -2.7722 -2.7715 -1.4665 -1.4656 -0.9472 -0.9433 -0.1539 -0.1515 0.0583 0.0601 0.5486 0.5496 0.6908 0.6936 1.5033 1.5044 1.7715 1.7718 2.1931 2.1937 2.6676 2.6677 3.2464 3.2475 3.3383 3.3401 3.6167 3.6186 4.2931 4.2952 4.7766 4.7770 5.0433 5.0436 12.0645 12.0646 12.1303 12.1321 12.5196 12.5198 12.9986 13.0005 13.8045 13.8071 k = 0.0000 0.5580 0.2446 ( 4336 PWs) bands (ev): -13.7330 -13.7329 -13.5271 -13.5270 -10.4110 -10.4109 -10.1495 -10.1489 -8.8322 -8.8317 -8.8049 -8.8041 -3.2174 -3.2156 -2.7679 -2.7672 -1.4505 -1.4494 -0.9050 -0.9009 -0.1064 -0.1039 0.0493 0.0512 0.5338 0.5350 0.6610 0.6641 1.4905 1.4916 1.7623 1.7627 2.1873 2.1880 2.6721 2.6724 3.2489 3.2500 3.3458 3.3475 3.6160 3.6179 4.2994 4.3016 4.7727 4.7731 5.0345 5.0349 12.0387 12.0388 12.1171 12.1190 12.5058 12.5059 13.0116 13.0140 13.7967 13.7992 k = 0.0000 0.5580 0.2609 ( 4324 PWs) bands (ev): -13.7276 -13.7275 -13.5304 -13.5303 -10.3857 -10.3856 -10.1291 -10.1284 -8.8753 -8.8748 -8.8427 -8.8418 -3.2022 -3.2005 -2.7643 -2.7638 -1.4334 -1.4323 -0.8642 -0.8600 -0.0576 -0.0550 0.0380 0.0402 0.5246 0.5260 0.6326 0.6360 1.4770 1.4781 1.7497 1.7501 2.1845 2.1852 2.6756 2.6759 3.2496 3.2507 3.3488 3.3503 3.6192 3.6210 4.3044 4.3067 4.7688 4.7692 5.0252 5.0256 12.0178 12.0180 12.1089 12.1109 12.4937 12.4937 13.0211 13.0239 13.7896 13.7922 k = 0.0000 0.5580 0.2772 ( 4322 PWs) bands (ev): -13.7220 -13.7219 -13.5339 -13.5338 -10.3589 -10.3588 -10.1074 -10.1067 -8.9198 -8.9193 -8.8817 -8.8807 -3.1864 -3.1846 -2.7616 -2.7612 -1.4153 -1.4140 -0.8260 -0.8216 -0.0084 -0.0056 0.0250 0.0275 0.5213 0.5229 0.6061 0.6098 1.4631 1.4642 1.7339 1.7344 2.1845 2.1853 2.6777 2.6782 3.2485 3.2496 3.3468 3.3479 3.6270 3.6286 4.3079 4.3102 4.7652 4.7655 5.0153 5.0158 12.0022 12.0026 12.1060 12.1081 12.4835 12.4836 13.0267 13.0298 13.7837 13.7862 k = 0.0000 0.5580 0.2935 ( 4316 PWs) bands (ev): -13.7162 -13.7161 -13.5377 -13.5376 -10.3307 -10.3305 -10.0846 -10.0838 -8.9654 -8.9650 -8.9217 -8.9206 -3.1698 -3.1679 -2.7599 -2.7596 -1.3960 -1.3946 -0.7913 -0.7868 0.0104 0.0130 0.0411 0.0439 0.5243 0.5259 0.5824 0.5864 1.4487 1.4498 1.7152 1.7158 2.1871 2.1880 2.6786 2.6791 3.2456 3.2467 3.3395 3.3402 3.6394 3.6408 4.3094 4.3118 4.7620 4.7623 5.0049 5.0054 11.9924 11.9929 12.1086 12.1108 12.4755 12.4756 13.0280 13.0315 13.7789 13.7812 k = 0.0000 0.5580 0.3098 ( 4314 PWs) bands (ev): -13.7102 -13.7101 -13.5416 -13.5415 -10.3010 -10.3008 -10.0606 -10.0598 -9.0121 -9.0116 -8.9625 -8.9614 -3.1526 -3.1507 -2.7594 -2.7592 -1.3756 -1.3741 -0.7614 -0.7569 -0.0035 -0.0007 0.0878 0.0908 0.5333 0.5350 0.5627 0.5670 1.4340 1.4350 1.6941 1.6947 2.1921 2.1930 2.6778 2.6784 3.2412 3.2422 3.3276 3.3279 3.6561 3.6572 4.3088 4.3111 4.7594 4.7597 4.9941 4.9946 11.9885 11.9891 12.1168 12.1192 12.4698 12.4699 13.0248 13.0287 13.7674 13.7709 k = 0.0000 0.5580 0.3261 ( 4320 PWs) bands (ev): -13.7041 -13.7039 -13.5458 -13.5457 -10.2698 -10.2697 -10.0356 -10.0348 -9.0595 -9.0591 -9.0040 -9.0029 -3.1348 -3.1329 -2.7600 -2.7600 -1.3540 -1.3524 -0.7373 -0.7328 -0.0163 -0.0133 0.1308 0.1339 0.5470 0.5472 0.5514 0.5542 1.4189 1.4199 1.6709 1.6715 2.1992 2.2000 2.6754 2.6761 3.2352 3.2361 3.3116 3.3117 3.6764 3.6773 4.3056 4.3079 4.7578 4.7580 4.9828 4.9834 11.9908 11.9914 12.1306 12.1331 12.4665 12.4666 13.0173 13.0216 13.7170 13.7201 k = 0.0000 0.5580 0.3425 ( 4322 PWs) bands (ev): -13.6978 -13.6976 -13.5502 -13.5501 -10.2374 -10.2372 -10.0095 -10.0086 -9.1074 -9.1070 -9.0460 -9.0448 -3.1165 -3.1145 -2.7620 -2.7619 -1.3312 -1.3295 -0.7201 -0.7156 -0.0266 -0.0234 0.1675 0.1705 0.5420 0.5464 0.5690 0.5703 1.4036 1.4046 1.6458 1.6464 2.2081 2.2090 2.6712 2.6720 3.2278 3.2287 3.2925 3.2930 3.6995 3.7003 4.2997 4.3020 4.7572 4.7573 4.9712 4.9719 11.9994 12.0000 12.1500 12.1527 12.4656 12.4657 13.0054 13.0100 13.6584 13.6617 k = 0.0000 0.5580 0.3588 ( 4320 PWs) bands (ev): -13.6913 -13.6912 -13.5548 -13.5547 -10.2036 -10.2034 -9.9825 -9.9816 -9.1557 -9.1553 -9.0883 -9.0871 -3.0978 -3.0958 -2.7654 -2.7651 -1.3071 -1.3053 -0.7104 -0.7060 -0.0334 -0.0301 0.1951 0.1978 0.5460 0.5504 0.5938 0.5951 1.3880 1.3890 1.6191 1.6197 2.2188 2.2197 2.6649 2.6658 3.2193 3.2200 3.2716 3.2724 3.7248 3.7254 4.2911 4.2932 4.7577 4.7578 4.9594 4.9601 12.0143 12.0148 12.1748 12.1776 12.4672 12.4672 12.9894 12.9945 13.5937 13.5970 k = 0.0000 0.5580 0.3751 ( 4334 PWs) bands (ev): -13.6848 -13.6846 -13.5596 -13.5595 -10.1687 -10.1684 -9.9546 -9.9537 -9.2041 -9.2037 -9.1308 -9.1296 -3.0787 -3.0767 -2.7702 -2.7697 -1.2817 -1.2798 -0.7086 -0.7043 -0.0362 -0.0328 0.2118 0.2139 0.5616 0.5656 0.6229 0.6240 1.3724 1.3733 1.5910 1.5916 2.2312 2.2320 2.6564 2.6573 3.2098 3.2104 3.2498 3.2509 3.7517 3.7523 4.2796 4.2817 4.7595 4.7596 4.9474 4.9481 12.0353 12.0358 12.2047 12.2077 12.4712 12.4713 12.9697 12.9752 13.5243 13.5278 k = 0.0000 0.5580 0.3914 ( 4334 PWs) bands (ev): -13.6781 -13.6780 -13.5646 -13.5645 -10.1325 -10.1323 -9.9261 -9.9252 -9.2522 -9.2518 -9.1733 -9.1721 -3.0593 -3.0573 -2.7763 -2.7757 -1.2550 -1.2530 -0.7144 -0.7103 -0.0349 -0.0313 0.2177 0.2190 0.5880 0.5915 0.6553 0.6563 1.3566 1.3575 1.5617 1.5624 2.2452 2.2460 2.6454 2.6465 3.1997 3.2002 3.2280 3.2293 3.7799 3.7804 4.2654 4.2674 4.7625 4.7626 4.9352 4.9359 12.0625 12.0629 12.2391 12.2423 12.4775 12.4778 12.9466 12.9524 13.4522 13.4558 k = 0.0000 0.5580 0.4077 ( 4334 PWs) bands (ev): -13.6714 -13.6713 -13.5699 -13.5697 -10.0954 -10.0951 -9.8972 -9.8963 -9.2998 -9.2994 -9.2156 -9.2144 -3.0397 -3.0377 -2.7838 -2.7831 -1.2271 -1.2249 -0.7272 -0.7233 -0.0295 -0.0260 0.2149 0.2154 0.6226 0.6254 0.6901 0.6909 1.3410 1.3419 1.5314 1.5320 2.2608 2.2616 2.6319 2.6330 3.1891 3.1894 3.2070 3.2086 3.8089 3.8094 4.2486 4.2505 4.7666 4.7669 4.9230 4.9238 12.0955 12.0957 12.2775 12.2809 12.4861 12.4866 12.9203 12.9265 13.3794 13.3830 k = 0.0000 0.5580 0.4240 ( 4330 PWs) bands (ev): -13.6646 -13.6645 -13.5753 -13.5751 -10.0573 -10.0570 -9.8683 -9.8673 -9.3463 -9.3459 -9.2575 -9.2563 -3.0201 -3.0181 -2.7927 -2.7918 -1.1978 -1.1956 -0.7461 -0.7424 -0.0209 -0.0173 0.2058 0.2060 0.6618 0.6641 0.7263 0.7268 1.3258 1.3266 1.5003 1.5008 2.2781 2.2790 2.6157 2.6168 3.1783 3.1785 3.1876 3.1894 3.8386 3.8391 4.2295 4.2312 4.7719 4.7722 4.9108 4.9116 12.1340 12.1341 12.3188 12.3224 12.4967 12.4975 12.8910 12.8975 13.3083 13.3119 k = 0.0000 0.5580 0.4403 ( 4338 PWs) bands (ev): -13.6579 -13.6577 -13.5809 -13.5807 -10.0184 -10.0181 -9.8399 -9.8389 -9.3911 -9.3907 -9.2989 -9.2977 -3.0004 -2.9985 -2.8029 -2.8019 -1.1674 -1.1650 -0.7700 -0.7663 -0.0095 -0.0059 0.1924 0.1931 0.7029 0.7048 0.7626 0.7629 1.3115 1.3122 1.4685 1.4690 2.2972 2.2980 2.5968 2.5980 3.1675 3.1676 3.1706 3.1726 3.8688 3.8693 4.2083 4.2099 4.7781 4.7785 4.8987 4.8995 12.1775 12.1776 12.3616 12.3655 12.5091 12.5103 12.8587 12.8653 13.2417 13.2451 k = 0.0000 0.5580 0.4566 ( 4342 PWs) bands (ev): -13.6511 -13.6509 -13.5866 -13.5865 -9.9790 -9.9787 -9.8132 -9.8122 -9.4330 -9.4326 -9.3393 -9.3381 -2.9809 -2.9789 -2.8144 -2.8133 -1.1358 -1.1333 -0.7977 -0.7942 0.0040 0.0075 0.1766 0.1778 0.7436 0.7452 0.7975 0.7975 1.2986 1.2993 1.4364 1.4370 2.3180 2.3188 2.5754 2.5766 3.1551 3.1561 3.1582 3.1594 3.8992 3.8997 4.1852 4.1866 4.7852 4.7857 4.8867 4.8875 12.2254 12.2258 12.4040 12.4081 12.5232 12.5247 12.8228 12.8292 13.1832 13.1861 k = 0.0000 0.5580 0.4729 ( 4338 PWs) bands (ev): -13.6443 -13.6442 -13.5925 -13.5924 -9.9394 -9.9391 -9.7898 -9.7889 -9.4702 -9.4697 -9.3785 -9.3773 -2.9615 -2.9596 -2.8271 -2.8259 -1.1032 -1.1006 -0.8283 -0.8249 0.0189 0.0224 0.1595 0.1611 0.7820 0.7834 0.8289 0.8291 1.2882 1.2889 1.4046 1.4051 2.3404 2.3413 2.5518 2.5530 3.1435 3.1451 3.1487 3.1496 3.9297 3.9303 4.1605 4.1618 4.7931 4.7937 4.8750 4.8758 12.2769 12.2776 12.4432 12.4474 12.5384 12.5404 12.7829 12.7887 13.1372 13.1392 k = 0.0000 0.5580 0.4892 ( 4342 PWs) bands (ev): -13.6375 -13.6374 -13.5986 -13.5985 -9.9002 -9.8998 -9.7730 -9.7721 -9.4995 -9.4989 -9.4158 -9.4146 -2.9425 -2.9407 -2.8410 -2.8396 -1.0696 -1.0669 -0.8610 -0.8577 0.0350 0.0383 0.1417 0.1437 0.8165 0.8177 0.8549 0.8553 1.2817 1.2824 1.3737 1.3743 2.3645 2.3654 2.5263 2.5274 3.1349 3.1365 3.1406 3.1416 3.9602 3.9608 4.1344 4.1356 4.8017 4.8023 4.8634 4.8642 12.3309 12.3320 12.4753 12.4793 12.5546 12.5570 12.7392 12.7437 13.1081 13.1090 k = 0.0000 0.5580 0.5055 ( 4340 PWs) bands (ev): -13.6308 -13.6307 -13.6048 -13.6047 -9.8621 -9.8617 -9.7669 -9.7662 -9.5165 -9.5158 -9.4504 -9.4493 -2.9239 -2.9221 -2.8558 -2.8544 -1.0353 -1.0325 -0.8950 -0.8919 0.0519 0.0551 0.1235 0.1258 0.8454 0.8465 0.8731 0.8737 1.2807 1.2814 1.3450 1.3456 2.3900 2.3909 2.4995 2.5006 3.1293 3.1309 3.1340 3.1351 3.9905 3.9912 4.1071 4.1082 4.8109 4.8115 4.8522 4.8530 12.3854 12.3867 12.4956 12.4988 12.5715 12.5744 12.6934 12.6961 13.0993 13.0995 k = 0.0000 0.5580 0.5218 ( 4346 PWs) bands (ev): -13.6242 -13.6241 -13.6112 -13.6110 -9.8266 -9.8262 -9.7750 -9.7744 -9.5180 -9.5171 -9.4809 -9.4798 -2.9058 -2.9041 -2.8717 -2.8701 -1.0004 -0.9975 -0.9299 -0.9269 0.0693 0.0723 0.1053 0.1079 0.8669 0.8679 0.8816 0.8824 1.2866 1.2873 1.3198 1.3205 2.4167 2.4176 2.4719 2.4729 3.1266 3.1281 3.1292 3.1305 4.0205 4.0212 4.0789 4.0799 4.8206 4.8213 4.8413 4.8420 12.4368 12.4381 12.4983 12.4999 12.5904 12.5934 12.6506 12.6509 13.1115 13.1127 k = 0.0000 0.5580 0.5381 ( 4340 PWs) bands (ev): -13.6176 -13.6176 -13.6175 -13.6175 -9.7963 -9.7963 -9.7958 -9.7958 -9.5047 -9.5047 -9.5037 -9.5037 -2.8884 -2.8884 -2.8867 -2.8867 -0.9652 -0.9652 -0.9622 -0.9622 0.0872 0.0872 0.0900 0.0900 0.8795 0.8795 0.8803 0.8803 1.2999 1.2999 1.3006 1.3006 2.4441 2.4441 2.4451 2.4451 3.1267 3.1267 3.1281 3.1281 4.0500 4.0500 4.0509 4.0509 4.8307 4.8307 4.8314 4.8314 12.4781 12.4781 12.4784 12.4784 12.6151 12.6151 12.6171 12.6171 13.1443 13.1443 k = 0.0000 0.5580 0.5381 ( 4340 PWs) bands (ev): -13.6176 -13.6176 -13.6175 -13.6175 -9.7963 -9.7963 -9.7958 -9.7958 -9.5047 -9.5047 -9.5037 -9.5037 -2.8884 -2.8884 -2.8867 -2.8867 -0.9652 -0.9652 -0.9622 -0.9622 0.0872 0.0872 0.0900 0.0900 0.8795 0.8795 0.8803 0.8803 1.2999 1.2999 1.3006 1.3006 2.4441 2.4441 2.4451 2.4451 3.1267 3.1267 3.1281 3.1281 4.0500 4.0500 4.0509 4.0509 4.8307 4.8307 4.8314 4.8314 12.4781 12.4781 12.4784 12.4784 12.6151 12.6151 12.6171 12.6171 13.1443 13.1443 k = 0.0165 0.5580 0.5381 ( 4342 PWs) bands (ev): -13.6175 -13.6175 -13.6174 -13.6174 -9.7987 -9.7987 -9.7982 -9.7982 -9.5026 -9.5026 -9.5016 -9.5016 -2.8867 -2.8867 -2.8850 -2.8850 -0.9692 -0.9692 -0.9663 -0.9663 0.0899 0.0899 0.0927 0.0927 0.8778 0.8778 0.8793 0.8793 1.3013 1.3013 1.3031 1.3031 2.4428 2.4428 2.4440 2.4440 3.1276 3.1276 3.1292 3.1292 4.0507 4.0507 4.0516 4.0516 4.8289 4.8289 4.8297 4.8297 12.4769 12.4769 12.4780 12.4780 12.6158 12.6158 12.6181 12.6181 13.1437 13.1437 k = 0.0330 0.5580 0.5381 ( 4338 PWs) bands (ev): -13.6171 -13.6171 -13.6170 -13.6170 -9.8058 -9.8058 -9.8050 -9.8050 -9.4964 -9.4964 -9.4952 -9.4952 -2.8816 -2.8816 -2.8799 -2.8799 -0.9813 -0.9813 -0.9784 -0.9784 0.0977 0.0977 0.1006 0.1006 0.8735 0.8735 0.8760 0.8760 1.3064 1.3064 1.3096 1.3096 2.4390 2.4390 2.4407 2.4407 3.1305 3.1305 3.1323 3.1323 4.0527 4.0527 4.0537 4.0537 4.8237 4.8237 4.8246 4.8246 12.4741 12.4741 12.4761 12.4761 12.6178 12.6178 12.6208 12.6208 13.1420 13.1420 k = 0.0495 0.5580 0.5381 ( 4344 PWs) bands (ev): -13.6165 -13.6165 -13.6164 -13.6164 -9.8168 -9.8168 -9.8159 -9.8159 -9.4866 -9.4866 -9.4853 -9.4853 -2.8731 -2.8731 -2.8714 -2.8714 -1.0010 -1.0010 -0.9981 -0.9981 0.1105 0.1105 0.1134 0.1134 0.8668 0.8668 0.8703 0.8703 1.3152 1.3152 1.3197 1.3197 2.4329 2.4329 2.4352 2.4352 3.1351 3.1351 3.1373 3.1373 4.0561 4.0561 4.0571 4.0571 4.8150 4.8150 4.8160 4.8160 12.4701 12.4701 12.4729 12.4729 12.6211 12.6211 12.6249 12.6249 13.1392 13.1392 k = 0.0660 0.5580 0.5381 ( 4338 PWs) bands (ev): -13.6157 -13.6157 -13.6155 -13.6155 -9.8311 -9.8311 -9.8300 -9.8300 -9.4740 -9.4740 -9.4726 -9.4726 -2.8613 -2.8613 -2.8596 -2.8596 -1.0276 -1.0276 -1.0249 -1.0249 0.1274 0.1274 0.1304 0.1304 0.8583 0.8583 0.8627 0.8627 1.3272 1.3272 1.3330 1.3330 2.4247 2.4247 2.4277 2.4277 3.1413 3.1413 3.1439 3.1439 4.0609 4.0609 4.0620 4.0620 4.8030 4.8030 4.8043 4.8043 12.4649 12.4649 12.4684 12.4684 12.6256 12.6256 12.6301 12.6301 13.1355 13.1355 k = 0.0824 0.5580 0.5381 ( 4336 PWs) bands (ev): -13.6146 -13.6146 -13.6145 -13.6145 -9.8480 -9.8480 -9.8468 -9.8468 -9.4592 -9.4592 -9.4577 -9.4577 -2.8462 -2.8462 -2.8445 -2.8445 -1.0606 -1.0606 -1.0579 -1.0579 0.1479 0.1479 0.1510 0.1510 0.8484 0.8484 0.8534 0.8534 1.3422 1.3422 1.3490 1.3490 2.4147 2.4147 2.4182 2.4182 3.1489 3.1489 3.1518 3.1518 4.0671 4.0671 4.0683 4.0683 4.7879 4.7879 4.7893 4.7893 12.4589 12.4589 12.4628 12.4628 12.6309 12.6309 12.6361 12.6361 13.1308 13.1308 k = 0.0989 0.5580 0.5381 ( 4330 PWs) bands (ev): -13.6133 -13.6133 -13.6132 -13.6132 -9.8667 -9.8667 -9.8654 -9.8654 -9.4428 -9.4428 -9.4412 -9.4412 -2.8279 -2.8279 -2.8262 -2.8262 -1.0990 -1.0990 -1.0965 -1.0965 0.1712 0.1712 0.1745 0.1745 0.8373 0.8373 0.8429 0.8429 1.3596 1.3596 1.3673 1.3673 2.4032 2.4032 2.4071 2.4071 3.1576 3.1576 3.1607 3.1607 4.0746 4.0746 4.0760 4.0760 4.7699 4.7699 4.7715 4.7715 12.4521 12.4521 12.4563 12.4563 12.6369 12.6369 12.6427 12.6427 13.1253 13.1253 k = 0.1154 0.5580 0.5381 ( 4322 PWs) bands (ev): -13.6118 -13.6118 -13.6117 -13.6117 -9.8868 -9.8868 -9.8854 -9.8854 -9.4253 -9.4253 -9.4237 -9.4237 -2.8066 -2.8066 -2.8048 -2.8048 -1.1423 -1.1423 -1.1399 -1.1399 0.1966 0.1966 0.2000 0.2000 0.8256 0.8256 0.8316 0.8316 1.3790 1.3790 1.3875 1.3875 2.3903 2.3903 2.3947 2.3947 3.1670 3.1670 3.1704 3.1704 4.0836 4.0836 4.0851 4.0851 4.7492 4.7492 4.7510 4.7510 12.4447 12.4447 12.4491 12.4491 12.6432 12.6432 12.6497 12.6497 13.1192 13.1192 k = 0.1319 0.5580 0.5381 ( 4322 PWs) bands (ev): -13.6101 -13.6101 -13.6100 -13.6100 -9.9078 -9.9078 -9.9064 -9.9064 -9.4071 -9.4071 -9.4054 -9.4054 -2.7823 -2.7823 -2.7804 -2.7804 -1.1897 -1.1897 -1.1874 -1.1874 0.2234 0.2234 0.2270 0.2270 0.8135 0.8135 0.8198 0.8198 1.4001 1.4001 1.4092 1.4092 2.3764 2.3764 2.3812 2.3812 3.1768 3.1768 3.1803 3.1803 4.0940 4.0940 4.0955 4.0955 4.7262 4.7262 4.7281 4.7281 12.4366 12.4366 12.4411 12.4411 12.6499 12.6499 12.6569 12.6569 13.1126 13.1126 k = 0.1484 0.5580 0.5381 ( 4328 PWs) bands (ev): -13.6083 -13.6083 -13.6082 -13.6082 -9.9295 -9.9295 -9.9281 -9.9281 -9.3884 -9.3884 -9.3867 -9.3867 -2.7551 -2.7551 -2.7532 -2.7532 -1.2407 -1.2407 -1.2385 -1.2385 0.2512 0.2512 0.2550 0.2550 0.8013 0.8013 0.8078 0.8078 1.4224 1.4224 1.4320 1.4320 2.3617 2.3617 2.3668 2.3668 3.1867 3.1867 3.1903 3.1903 4.1057 4.1057 4.1073 4.1073 4.7010 4.7010 4.7032 4.7032 12.4277 12.4277 12.4323 12.4323 12.6566 12.6566 12.6642 12.6642 13.1059 13.1059 k = 0.1649 0.5580 0.5381 ( 4326 PWs) bands (ev): -13.6064 -13.6064 -13.6062 -13.6062 -9.9515 -9.9515 -9.9501 -9.9501 -9.3694 -9.3694 -9.3677 -9.3677 -2.7252 -2.7252 -2.7233 -2.7233 -1.2947 -1.2947 -1.2925 -1.2925 0.2795 0.2795 0.2833 0.2833 0.7892 0.7892 0.7958 0.7958 1.4456 1.4456 1.4557 1.4557 2.3465 2.3465 2.3519 2.3519 3.1964 3.1964 3.2001 3.2001 4.1187 4.1187 4.1204 4.1204 4.6743 4.6743 4.6766 4.6766 12.4182 12.4182 12.4227 12.4227 12.6632 12.6632 12.6715 12.6715 13.0992 13.0992 k = 0.1814 0.5580 0.5381 ( 4320 PWs) bands (ev): -13.6043 -13.6043 -13.6042 -13.6042 -9.9737 -9.9737 -9.9722 -9.9722 -9.3503 -9.3503 -9.3486 -9.3486 -2.6928 -2.6928 -2.6909 -2.6909 -1.3511 -1.3511 -1.3490 -1.3490 0.3077 0.3077 0.3117 0.3117 0.7775 0.7775 0.7842 0.7842 1.4695 1.4695 1.4799 1.4799 2.3311 2.3311 2.3367 2.3367 3.2056 3.2056 3.2093 3.2093 4.1328 4.1328 4.1347 4.1347 4.6463 4.6463 4.6487 4.6487 12.4077 12.4077 12.4122 12.4122 12.6697 12.6697 12.6787 12.6787 13.0928 13.0928 k = 0.1979 0.5580 0.5381 ( 4332 PWs) bands (ev): -13.6022 -13.6022 -13.6020 -13.6020 -9.9958 -9.9958 -9.9943 -9.9943 -9.3311 -9.3311 -9.3295 -9.3295 -2.6582 -2.6582 -2.6562 -2.6562 -1.4096 -1.4096 -1.4076 -1.4076 0.3357 0.3357 0.3398 0.3398 0.7663 0.7663 0.7730 0.7730 1.4936 1.4936 1.5043 1.5043 2.3157 2.3157 2.3215 2.3215 3.2141 3.2141 3.2177 3.2177 4.1480 4.1480 4.1499 4.1499 4.6176 4.6176 4.6201 4.6201 12.3963 12.3963 12.4007 12.4007 12.6759 12.6759 12.6854 12.6854 13.0872 13.0872 k = 0.2144 0.5580 0.5381 ( 4332 PWs) bands (ev): -13.6000 -13.6000 -13.5999 -13.5999 -10.0177 -10.0177 -10.0163 -10.0163 -9.3121 -9.3121 -9.3104 -9.3104 -2.6214 -2.6214 -2.6194 -2.6194 -1.4698 -1.4698 -1.4678 -1.4678 0.3630 0.3630 0.3673 0.3673 0.7557 0.7557 0.7624 0.7624 1.5177 1.5177 1.5286 1.5286 2.3007 2.3007 2.3065 2.3065 3.2217 3.2217 3.2252 3.2252 4.1637 4.1637 4.1657 4.1657 4.5888 4.5888 4.5914 4.5914 12.3837 12.3837 12.3881 12.3881 12.6815 12.6815 12.6916 12.6916 13.0827 13.0827 k = 0.2309 0.5580 0.5381 ( 4330 PWs) bands (ev): -13.5978 -13.5978 -13.5977 -13.5977 -10.0392 -10.0392 -10.0378 -10.0378 -9.2932 -9.2932 -9.2915 -9.2915 -2.5828 -2.5828 -2.5808 -2.5808 -1.5313 -1.5313 -1.5293 -1.5293 0.3895 0.3895 0.3939 0.3939 0.7460 0.7460 0.7525 0.7525 1.5414 1.5414 1.5524 1.5524 2.2862 2.2862 2.2921 2.2921 3.2283 3.2283 3.2317 3.2317 4.1796 4.1796 4.1818 4.1818 4.5607 4.5607 4.5634 4.5634 12.3699 12.3699 12.3743 12.3743 12.6864 12.6864 12.6970 12.6970 13.0797 13.0797 k = 0.2473 0.5580 0.5381 ( 4334 PWs) bands (ev): -13.5956 -13.5956 -13.5955 -13.5955 -10.0603 -10.0603 -10.0589 -10.0589 -9.2744 -9.2744 -9.2728 -9.2728 -2.5428 -2.5428 -2.5409 -2.5409 -1.5935 -1.5935 -1.5917 -1.5917 0.4149 0.4149 0.4194 0.4194 0.7372 0.7372 0.7436 0.7436 1.5642 1.5642 1.5754 1.5754 2.2726 2.2726 2.2786 2.2786 3.2337 3.2337 3.2369 3.2369 4.1950 4.1950 4.1973 4.1973 4.5343 4.5343 4.5370 4.5370 12.3547 12.3547 12.3590 12.3590 12.6905 12.6905 12.7015 12.7015 13.0786 13.0786 k = 0.2638 0.5580 0.5381 ( 4338 PWs) bands (ev): -13.5934 -13.5934 -13.5933 -13.5933 -10.0807 -10.0807 -10.0793 -10.0793 -9.2559 -9.2559 -9.2542 -9.2542 -2.5019 -2.5019 -2.5000 -2.5000 -1.6562 -1.6562 -1.6544 -1.6544 0.4390 0.4390 0.4436 0.4436 0.7294 0.7294 0.7357 0.7357 1.5858 1.5858 1.5971 1.5971 2.2605 2.2605 2.2663 2.2663 3.2379 3.2379 3.2409 3.2409 4.2088 4.2088 4.2111 4.2111 4.5109 4.5109 4.5135 4.5135 12.3381 12.3381 12.3424 12.3424 12.6934 12.6934 12.7046 12.7046 13.0798 13.0798 k = 0.2803 0.5580 0.5381 ( 4338 PWs) bands (ev): -13.5914 -13.5914 -13.5913 -13.5913 -10.1004 -10.1004 -10.0991 -10.0991 -9.2375 -9.2375 -9.2359 -9.2359 -2.4605 -2.4605 -2.4587 -2.4587 -1.7185 -1.7185 -1.7168 -1.7168 0.4616 0.4616 0.4662 0.4662 0.7230 0.7230 0.7292 0.7292 1.6055 1.6055 1.6169 1.6169 2.2501 2.2501 2.2559 2.2559 3.2408 3.2408 3.2437 3.2437 4.2194 4.2194 4.2218 4.2218 4.4923 4.4923 4.4946 4.4946 12.3200 12.3200 12.3243 12.3243 12.6949 12.6949 12.7063 12.7063 13.0835 13.0835 k = 0.2968 0.5580 0.5381 ( 4336 PWs) bands (ev): -13.5894 -13.5894 -13.5894 -13.5894 -10.1193 -10.1193 -10.1180 -10.1180 -9.2195 -9.2195 -9.2179 -9.2179 -2.4197 -2.4197 -2.4180 -2.4180 -1.7796 -1.7796 -1.7781 -1.7781 0.4823 0.4823 0.4870 0.4870 0.7181 0.7181 0.7241 0.7241 1.6229 1.6229 1.6343 1.6343 2.2421 2.2421 2.2478 2.2478 3.2425 3.2425 3.2453 3.2453 4.2251 4.2251 4.2276 4.2276 4.4804 4.4804 4.4823 4.4823 12.3004 12.3004 12.3046 12.3046 12.6950 12.6950 12.7064 12.7064 13.0898 13.0898 k = 0.3133 0.5580 0.5381 ( 4330 PWs) bands (ev): -13.5876 -13.5876 -13.5876 -13.5876 -10.1373 -10.1373 -10.1360 -10.1360 -9.2017 -9.2017 -9.2001 -9.2001 -2.3808 -2.3808 -2.3795 -2.3795 -1.8381 -1.8381 -1.8368 -1.8368 0.5009 0.5009 0.5057 0.5057 0.7151 0.7151 0.7208 0.7208 1.6372 1.6372 1.6486 1.6486 2.2370 2.2370 2.2426 2.2426 3.2430 3.2430 3.2456 3.2456 4.2243 4.2243 4.2268 4.2268 4.4769 4.4769 4.4784 4.4784 12.2793 12.2793 12.2835 12.2835 12.6936 12.6936 12.7049 12.7049 13.0989 13.0989 k = 0.3298 0.5580 0.5381 ( 4334 PWs) bands (ev): -13.5860 -13.5860 -13.5859 -13.5859 -10.1543 -10.1543 -10.1530 -10.1530 -9.1841 -9.1841 -9.1826 -9.1826 -2.3464 -2.3464 -2.3456 -2.3456 -1.8914 -1.8914 -1.8906 -1.8906 0.5170 0.5170 0.5218 0.5218 0.7143 0.7143 0.7198 0.7198 1.6477 1.6477 1.6591 1.6591 2.2354 2.2354 2.2409 2.2409 3.2425 3.2425 3.2449 3.2449 4.2166 4.2166 4.2191 4.2191 4.4823 4.4823 4.4833 4.4833 12.2568 12.2568 12.2609 12.2609 12.6907 12.6907 12.7018 12.7018 13.1106 13.1106 k = 0.3463 0.5580 0.5381 ( 4328 PWs) bands (ev): -13.5846 -13.5846 -13.5845 -13.5845 -10.1702 -10.1702 -10.1689 -10.1689 -9.1669 -9.1669 -9.1654 -9.1654 -2.3209 -2.3209 -2.3205 -2.3205 -1.9353 -1.9353 -1.9351 -1.9351 0.5301 0.5301 0.5349 0.5349 0.7162 0.7162 0.7216 0.7216 1.6540 1.6540 1.6653 1.6653 2.2378 2.2378 2.2432 2.2432 3.2409 3.2409 3.2433 3.2433 4.2030 4.2030 4.2055 4.2055 4.4953 4.4953 4.4963 4.4963 12.2328 12.2328 12.2369 12.2369 12.6864 12.6864 12.6973 12.6973 13.1245 13.1245 k = 0.3463 0.5580 0.5381 ( 4328 PWs) bands (ev): -13.5846 -13.5846 -13.5845 -13.5845 -10.1702 -10.1702 -10.1689 -10.1689 -9.1669 -9.1669 -9.1654 -9.1654 -2.3209 -2.3209 -2.3205 -2.3205 -1.9353 -1.9353 -1.9351 -1.9351 0.5301 0.5301 0.5349 0.5349 0.7162 0.7162 0.7216 0.7216 1.6540 1.6540 1.6653 1.6653 2.2378 2.2378 2.2432 2.2432 3.2409 3.2409 3.2433 3.2433 4.2030 4.2030 4.2055 4.2055 4.4953 4.4953 4.4963 4.4963 12.2328 12.2328 12.2369 12.2369 12.6864 12.6864 12.6973 12.6973 13.1245 13.1245 k = 0.3376 0.5440 0.5381 ( 4338 PWs) bands (ev): -13.5871 -13.5871 -13.5870 -13.5870 -10.1405 -10.1405 -10.1392 -10.1392 -9.1995 -9.1995 -9.1979 -9.1979 -2.3574 -2.3574 -2.3570 -2.3570 -1.8635 -1.8635 -1.8633 -1.8633 0.5074 0.5074 0.5121 0.5121 0.7098 0.7098 0.7154 0.7154 1.6471 1.6471 1.6586 1.6586 2.2294 2.2294 2.2351 2.2351 3.2445 3.2445 3.2471 3.2471 4.2339 4.2339 4.2363 4.2363 4.4647 4.4647 4.4656 4.4656 12.2783 12.2783 12.2824 12.2824 12.6949 12.6949 12.7063 12.7063 13.0980 13.0980 k = 0.3290 0.5301 0.5381 ( 4338 PWs) bands (ev): -13.5897 -13.5897 -13.5897 -13.5897 -10.1095 -10.1095 -10.1081 -10.1081 -9.2325 -9.2325 -9.2309 -9.2309 -2.3957 -2.3957 -2.3954 -2.3954 -1.7900 -1.7900 -1.7900 -1.7900 0.4825 0.4825 0.4871 0.4871 0.7034 0.7034 0.7094 0.7094 1.6416 1.6416 1.6530 1.6530 2.2218 2.2218 2.2277 2.2277 3.2477 3.2477 3.2505 3.2505 4.2660 4.2660 4.2684 4.2684 4.4348 4.4348 4.4357 4.4357 12.3206 12.3206 12.3247 12.3247 12.7013 12.7013 12.7131 12.7131 13.0756 13.0756 k = 0.3203 0.5161 0.5381 ( 4342 PWs) bands (ev): -13.5925 -13.5925 -13.5924 -13.5924 -10.0771 -10.0771 -10.0756 -10.0756 -9.2658 -9.2658 -9.2642 -9.2642 -2.4360 -2.4360 -2.4357 -2.4357 -1.7153 -1.7153 -1.7152 -1.7152 0.4553 0.4553 0.4598 0.4598 0.6970 0.6970 0.7033 0.7033 1.6375 1.6375 1.6489 1.6489 2.2151 2.2151 2.2212 2.2212 3.2505 3.2505 3.2535 3.2535 4.2994 4.2994 4.3017 4.3017 4.4058 4.4058 4.4066 4.4066 12.3580 12.3580 12.3619 12.3619 12.7050 12.7050 12.7171 12.7171 13.0591 13.0591 k = 0.3116 0.5022 0.5381 ( 4350 PWs) bands (ev): -13.5953 -13.5953 -13.5952 -13.5952 -10.0434 -10.0434 -10.0419 -10.0419 -9.2994 -9.2994 -9.2977 -9.2977 -2.4780 -2.4780 -2.4777 -2.4777 -1.6396 -1.6396 -1.6393 -1.6393 0.4260 0.4260 0.4303 0.4303 0.6908 0.6908 0.6974 0.6974 1.6349 1.6349 1.6462 1.6462 2.2095 2.2095 2.2158 2.2158 3.2529 3.2529 3.2561 3.2561 4.3337 4.3337 4.3360 4.3360 4.3779 4.3779 4.3786 4.3786 12.3883 12.3883 12.3920 12.3920 12.7051 12.7051 12.7175 12.7175 13.0506 13.0506 k = 0.3030 0.4882 0.5381 ( 4348 PWs) bands (ev): -13.5982 -13.5982 -13.5981 -13.5981 -10.0084 -10.0084 -10.0069 -10.0069 -9.3330 -9.3330 -9.3314 -9.3314 -2.5218 -2.5218 -2.5216 -2.5216 -1.5632 -1.5632 -1.5628 -1.5628 0.3946 0.3946 0.3987 0.3987 0.6847 0.6847 0.6917 0.6917 1.6338 1.6338 1.6450 1.6450 2.2050 2.2050 2.2115 2.2115 3.2549 3.2549 3.2584 3.2584 4.3507 4.3507 4.3516 4.3516 4.3693 4.3693 4.3716 4.3716 12.4098 12.4098 12.4130 12.4130 12.7011 12.7011 12.7137 12.7137 13.0517 13.0517 k = 0.2943 0.4743 0.5381 ( 4338 PWs) bands (ev): -13.6012 -13.6012 -13.6011 -13.6011 -9.9723 -9.9723 -9.9707 -9.9707 -9.3666 -9.3666 -9.3649 -9.3649 -2.5674 -2.5674 -2.5671 -2.5671 -1.4864 -1.4864 -1.4858 -1.4858 0.3612 0.3612 0.3651 0.3651 0.6788 0.6788 0.6861 0.6861 1.6344 1.6344 1.6453 1.6453 2.2018 2.2018 2.2086 2.2086 3.2566 3.2566 3.2603 3.2603 4.3253 4.3253 4.3261 4.3261 4.4054 4.4054 4.4075 4.4075 12.4212 12.4212 12.4240 12.4240 12.6924 12.6924 12.7052 12.7052 13.0637 13.0637 k = 0.2857 0.4603 0.5381 ( 4338 PWs) bands (ev): -13.6043 -13.6043 -13.6042 -13.6042 -9.9350 -9.9350 -9.9334 -9.9334 -9.4000 -9.4000 -9.3984 -9.3984 -2.6145 -2.6145 -2.6144 -2.6144 -1.4095 -1.4095 -1.4087 -1.4087 0.3261 0.3261 0.3296 0.3296 0.6730 0.6730 0.6807 0.6807 1.6366 1.6366 1.6473 1.6473 2.2001 2.2001 2.2071 2.2071 3.2579 3.2579 3.2620 3.2620 4.3011 4.3011 4.3018 4.3018 4.4423 4.4423 4.4443 4.4443 12.4224 12.4224 12.4247 12.4247 12.6785 12.6785 12.6914 12.6914 13.0862 13.0862 k = 0.2770 0.4464 0.5381 ( 4330 PWs) bands (ev): -13.6075 -13.6075 -13.6074 -13.6074 -9.8966 -9.8966 -9.8950 -9.8950 -9.4332 -9.4332 -9.4316 -9.4316 -2.6633 -2.6633 -2.6632 -2.6632 -1.3328 -1.3328 -1.3318 -1.3318 0.2893 0.2893 0.2925 0.2925 0.6675 0.6675 0.6755 0.6755 1.6404 1.6404 1.6507 1.6507 2.1998 2.1998 2.2070 2.2070 3.2590 3.2590 3.2634 3.2634 4.2782 4.2782 4.2789 4.2789 4.4798 4.4798 4.4817 4.4817 12.4145 12.4145 12.4164 12.4164 12.6594 12.6594 12.6723 12.6723 13.1181 13.1181 k = 0.2684 0.4324 0.5381 ( 4324 PWs) bands (ev): -13.6107 -13.6107 -13.6106 -13.6106 -9.8573 -9.8573 -9.8556 -9.8556 -9.4661 -9.4661 -9.4645 -9.4645 -2.7136 -2.7136 -2.7135 -2.7135 -1.2567 -1.2567 -1.2554 -1.2554 0.2511 0.2511 0.2541 0.2541 0.6623 0.6623 0.6706 0.6706 1.6456 1.6456 1.6556 1.6556 2.2011 2.2011 2.2086 2.2086 3.2599 3.2599 3.2646 3.2646 4.2568 4.2568 4.2574 4.2574 4.5177 4.5177 4.5195 4.5195 12.3994 12.3994 12.4009 12.4009 12.6350 12.6350 12.6477 12.6477 13.1572 13.1572 k = 0.2597 0.4185 0.5381 ( 4322 PWs) bands (ev): -13.6140 -13.6140 -13.6139 -13.6139 -9.8170 -9.8170 -9.8153 -9.8153 -9.4985 -9.4985 -9.4969 -9.4969 -2.7653 -2.7653 -2.7653 -2.7653 -1.1814 -1.1814 -1.1798 -1.1798 0.2117 0.2117 0.2144 0.2144 0.6573 0.6573 0.6659 0.6659 1.6523 1.6523 1.6620 1.6620 2.2040 2.2040 2.2117 2.2117 3.2607 3.2607 3.2657 3.2657 4.2368 4.2368 4.2374 4.2374 4.5560 4.5560 4.5576 4.5576 12.3789 12.3789 12.3802 12.3802 12.6053 12.6053 12.6178 12.6178 13.2010 13.2010 k = 0.2510 0.4045 0.5381 ( 4324 PWs) bands (ev): -13.6174 -13.6174 -13.6173 -13.6173 -9.7759 -9.7759 -9.7741 -9.7741 -9.5305 -9.5305 -9.5289 -9.5289 -2.8184 -2.8184 -2.8184 -2.8184 -1.1072 -1.1072 -1.1053 -1.1053 0.1714 0.1714 0.1738 0.1738 0.6527 0.6527 0.6617 0.6617 1.6603 1.6603 1.6696 1.6696 2.2086 2.2086 2.2165 2.2165 3.2615 3.2615 3.2668 3.2668 4.2182 4.2182 4.2187 4.2187 4.5945 4.5945 4.5960 4.5960 12.3549 12.3549 12.3558 12.3558 12.5707 12.5707 12.5830 12.5830 13.2471 13.2471 k = 0.2424 0.3906 0.5381 ( 4328 PWs) bands (ev): -13.6208 -13.6208 -13.6207 -13.6207 -9.7340 -9.7340 -9.7322 -9.7322 -9.5618 -9.5618 -9.5603 -9.5603 -2.8727 -2.8727 -2.8726 -2.8726 -1.0344 -1.0344 -1.0323 -1.0323 0.1305 0.1305 0.1326 0.1326 0.6485 0.6485 0.6577 0.6577 1.6695 1.6695 1.6785 1.6785 2.2148 2.2148 2.2229 2.2229 3.2624 3.2624 3.2680 3.2680 4.2010 4.2010 4.2014 4.2014 4.6331 4.6331 4.6344 4.6344 12.3286 12.3286 12.3294 12.3294 12.5317 12.5317 12.5437 12.5437 13.2932 13.2932 k = 0.2337 0.3766 0.5381 ( 4324 PWs) bands (ev): -13.6242 -13.6242 -13.6241 -13.6241 -9.6914 -9.6914 -9.6896 -9.6896 -9.5925 -9.5925 -9.5910 -9.5910 -2.9281 -2.9281 -2.9280 -2.9280 -0.9634 -0.9634 -0.9609 -0.9609 0.0891 0.0891 0.0910 0.0910 0.6447 0.6447 0.6542 0.6542 1.6799 1.6799 1.6885 1.6885 2.2226 2.2226 2.2310 2.2310 3.2635 3.2635 3.2694 3.2694 4.1852 4.1852 4.1855 4.1855 4.6716 4.6716 4.6728 4.6728 12.3014 12.3014 12.3020 12.3020 12.4888 12.4888 12.5004 12.5004 13.3372 13.3372 k = 0.2251 0.3627 0.5381 ( 4324 PWs) bands (ev): -13.6276 -13.6276 -13.6275 -13.6275 -9.6483 -9.6483 -9.6465 -9.6465 -9.6224 -9.6224 -9.6210 -9.6210 -2.9845 -2.9845 -2.9843 -2.9843 -0.8943 -0.8943 -0.8916 -0.8916 0.0475 0.0475 0.0492 0.0492 0.6413 0.6413 0.6512 0.6512 1.6912 1.6912 1.6994 1.6994 2.2320 2.2320 2.2405 2.2405 3.2649 3.2649 3.2711 3.2711 4.1707 4.1707 4.1710 4.1710 4.7099 4.7099 4.7109 4.7109 12.2739 12.2739 12.2744 12.2744 12.4425 12.4425 12.4537 12.4537 13.3769 13.3769 k = 0.2164 0.3487 0.5381 ( 4336 PWs) bands (ev): -13.6310 -13.6310 -13.6309 -13.6309 -9.6518 -9.6518 -9.6502 -9.6502 -9.6046 -9.6046 -9.6028 -9.6028 -3.0417 -3.0417 -3.0415 -3.0415 -0.8275 -0.8275 -0.8244 -0.8244 0.0060 0.0060 0.0074 0.0074 0.6385 0.6385 0.6486 0.6486 1.7034 1.7034 1.7112 1.7112 2.2428 2.2428 2.2515 2.2515 3.2667 3.2667 3.2733 3.2733 4.1575 4.1575 4.1578 4.1578 4.7479 4.7479 4.7487 4.7487 12.2470 12.2470 12.2474 12.2474 12.3935 12.3935 12.4042 12.4042 13.4102 13.4102 k = 0.2078 0.3348 0.5381 ( 4340 PWs) bands (ev): -13.6345 -13.6345 -13.6344 -13.6344 -9.6801 -9.6801 -9.6786 -9.6786 -9.5606 -9.5606 -9.5588 -9.5588 -3.0995 -3.0995 -3.0992 -3.0992 -0.7632 -0.7632 -0.7598 -0.7598 -0.0352 -0.0352 -0.0340 -0.0340 0.6362 0.6362 0.6466 0.6466 1.7164 1.7164 1.7238 1.7238 2.2549 2.2549 2.2638 2.2638 3.2692 3.2692 3.2760 3.2760 4.1456 4.1456 4.1458 4.1458 4.7854 4.7854 4.7861 4.7861 12.2211 12.2211 12.2214 12.2214 12.3423 12.3423 12.3525 12.3525 13.4349 13.4349 k = 0.1991 0.3208 0.5381 ( 4328 PWs) bands (ev): -13.6379 -13.6379 -13.6378 -13.6378 -9.7076 -9.7076 -9.7062 -9.7062 -9.5164 -9.5164 -9.5146 -9.5146 -3.1578 -3.1578 -3.1575 -3.1575 -0.7015 -0.7015 -0.6979 -0.6979 -0.0760 -0.0760 -0.0749 -0.0749 0.6345 0.6345 0.6451 0.6451 1.7299 1.7299 1.7370 1.7370 2.2682 2.2682 2.2772 2.2772 3.2724 3.2724 3.2796 3.2796 4.1348 4.1348 4.1350 4.1350 4.8223 4.8223 4.8229 4.8229 12.1967 12.1967 12.1970 12.1970 12.2894 12.2894 12.2992 12.2992 13.4494 13.4494 k = 0.1905 0.3069 0.5381 ( 4328 PWs) bands (ev): -13.6413 -13.6413 -13.6412 -13.6412 -9.7341 -9.7341 -9.7328 -9.7328 -9.4720 -9.4720 -9.4702 -9.4702 -3.2165 -3.2165 -3.2161 -3.2161 -0.6428 -0.6428 -0.6388 -0.6388 -0.1160 -0.1160 -0.1151 -0.1151 0.6335 0.6335 0.6443 0.6443 1.7439 1.7439 1.7506 1.7506 2.2823 2.2823 2.2915 2.2915 3.2766 3.2766 3.2840 3.2840 4.1252 4.1252 4.1253 4.1253 4.8586 4.8586 4.8590 4.8590 12.1740 12.1740 12.1743 12.1743 12.2356 12.2356 12.2448 12.2448 13.4526 13.4526 k = 0.1818 0.2929 0.5381 ( 4332 PWs) bands (ev): -13.6446 -13.6446 -13.6445 -13.6445 -9.7597 -9.7597 -9.7584 -9.7584 -9.4277 -9.4277 -9.4259 -9.4259 -3.2751 -3.2751 -3.2747 -3.2747 -0.5872 -0.5872 -0.5829 -0.5829 -0.1552 -0.1552 -0.1545 -0.1545 0.6332 0.6332 0.6442 0.6442 1.7583 1.7583 1.7647 1.7647 2.2972 2.2972 2.3064 2.3064 3.2818 3.2818 3.2894 3.2894 4.1166 4.1166 4.1167 4.1167 4.8940 4.8940 4.8943 4.8943 12.1531 12.1531 12.1536 12.1536 12.1813 12.1813 12.1899 12.1899 13.4441 13.4441 k = 0.1731 0.2790 0.5381 ( 4332 PWs) bands (ev): -13.6479 -13.6479 -13.6478 -13.6478 -9.7843 -9.7843 -9.7830 -9.7830 -9.3835 -9.3835 -9.3818 -9.3818 -3.3337 -3.3337 -3.3332 -3.3332 -0.5348 -0.5348 -0.5302 -0.5302 -0.1933 -0.1933 -0.1927 -0.1927 0.6337 0.6337 0.6447 0.6447 1.7730 1.7730 1.7789 1.7789 2.3124 2.3124 2.3217 2.3217 3.2883 3.2883 3.2961 3.2961 4.1091 4.1091 4.1091 4.1091 4.9284 4.9284 4.9286 4.9286 12.1245 12.1245 12.1331 12.1331 12.1368 12.1368 12.1370 12.1370 13.4249 13.4249 k = 0.1645 0.2650 0.5381 ( 4332 PWs) bands (ev): -13.6512 -13.6512 -13.6511 -13.6511 -9.8079 -9.8079 -9.8066 -9.8066 -9.3397 -9.3397 -9.3380 -9.3380 -3.3919 -3.3919 -3.3914 -3.3914 -0.4857 -0.4857 -0.4809 -0.4809 -0.2303 -0.2303 -0.2298 -0.2298 0.6349 0.6349 0.6460 0.6460 1.7877 1.7877 1.7934 1.7934 2.3278 2.3278 2.3371 2.3371 3.2961 3.2961 3.3040 3.3040 4.1024 4.1024 4.1024 4.1024 4.9618 4.9618 4.9618 4.9618 12.0713 12.0713 12.0797 12.0797 12.1192 12.1192 12.1197 12.1197 13.3963 13.3963 k = 0.1558 0.2511 0.5381 ( 4340 PWs) bands (ev): -13.6544 -13.6544 -13.6543 -13.6543 -9.8303 -9.8303 -9.8292 -9.8292 -9.2964 -9.2964 -9.2946 -9.2946 -3.4495 -3.4495 -3.4489 -3.4489 -0.4400 -0.4400 -0.4350 -0.4350 -0.2659 -0.2659 -0.2656 -0.2656 0.6369 0.6369 0.6480 0.6480 1.8025 1.8025 1.8078 1.8078 2.3431 2.3431 2.3523 2.3523 3.3053 3.3053 3.3133 3.3133 4.0966 4.0966 4.0966 4.0966 4.9939 4.9939 4.9940 4.9940 12.0177 12.0177 12.0256 12.0256 12.1055 12.1055 12.1059 12.1059 13.3604 13.3604 k = 0.1472 0.2371 0.5381 ( 4348 PWs) bands (ev): -13.6574 -13.6574 -13.6573 -13.6573 -9.8517 -9.8517 -9.8506 -9.8506 -9.2537 -9.2537 -9.2520 -9.2520 -3.5062 -3.5062 -3.5056 -3.5056 -0.3978 -0.3978 -0.3926 -0.3926 -0.3001 -0.3001 -0.2998 -0.2998 0.6398 0.6398 0.6507 0.6507 1.8172 1.8172 1.8221 1.8221 2.3579 2.3579 2.3671 2.3671 3.3160 3.3160 3.3241 3.3241 4.0915 4.0915 4.0917 4.0917 5.0248 5.0248 5.0250 5.0250 11.9651 11.9651 11.9725 11.9725 12.0941 12.0941 12.0945 12.0945 13.3193 13.3193 k = 0.1385 0.2232 0.5381 ( 4348 PWs) bands (ev): -13.6604 -13.6604 -13.6603 -13.6603 -9.8720 -9.8720 -9.8709 -9.8709 -9.2118 -9.2118 -9.2102 -9.2102 -3.5619 -3.5619 -3.5613 -3.5613 -0.3592 -0.3592 -0.3537 -0.3537 -0.3325 -0.3325 -0.3324 -0.3324 0.6433 0.6433 0.6542 0.6542 1.8316 1.8316 1.8363 1.8363 2.3721 2.3721 2.3811 2.3811 3.3282 3.3282 3.3363 3.3363 4.0872 4.0872 4.0874 4.0874 5.0542 5.0542 5.0545 5.0545 11.9138 11.9138 11.9207 11.9207 12.0851 12.0851 12.0856 12.0856 13.2750 13.2750 k = 0.1299 0.2092 0.5381 ( 4348 PWs) bands (ev): -13.6633 -13.6633 -13.6632 -13.6632 -9.8911 -9.8911 -9.8901 -9.8901 -9.1710 -9.1710 -9.1694 -9.1694 -3.6161 -3.6161 -3.6155 -3.6155 -0.3642 -0.3642 -0.3637 -0.3637 -0.3230 -0.3230 -0.3181 -0.3181 0.6477 0.6477 0.6583 0.6583 1.8458 1.8458 1.8501 1.8501 2.3854 2.3854 2.3942 2.3942 3.3419 3.3419 3.3499 3.3499 4.0836 4.0836 4.0838 4.0838 5.0823 5.0823 5.0826 5.0826 11.8642 11.8642 11.8706 11.8706 12.0783 12.0783 12.0788 12.0788 13.2293 13.2293 k = 0.1212 0.1953 0.5381 ( 4344 PWs) bands (ev): -13.6660 -13.6660 -13.6659 -13.6659 -9.9090 -9.9090 -9.9081 -9.9081 -9.1314 -9.1314 -9.1299 -9.1299 -3.6687 -3.6687 -3.6681 -3.6681 -0.3933 -0.3933 -0.3930 -0.3930 -0.2910 -0.2910 -0.2859 -0.2859 0.6527 0.6527 0.6630 0.6630 1.8595 1.8595 1.8635 1.8635 2.3976 2.3976 2.4061 2.4061 3.3570 3.3570 3.3648 3.3648 4.0805 4.0805 4.0807 4.0807 5.1088 5.1088 5.1092 5.1092 11.8165 11.8165 11.8225 11.8225 12.0736 12.0736 12.0741 12.0741 13.1835 13.1835 k = 0.1125 0.1813 0.5381 ( 4348 PWs) bands (ev): -13.6686 -13.6686 -13.6685 -13.6685 -9.9258 -9.9258 -9.9249 -9.9249 -9.0932 -9.0932 -9.0918 -9.0918 -3.7193 -3.7193 -3.7187 -3.7187 -0.4208 -0.4208 -0.4206 -0.4206 -0.2621 -0.2621 -0.2571 -0.2571 0.6582 0.6582 0.6682 0.6682 1.8728 1.8728 1.8765 1.8765 2.4087 2.4087 2.4168 2.4168 3.3732 3.3732 3.3808 3.3808 4.0780 4.0780 4.0782 4.0782 5.1336 5.1336 5.1342 5.1342 11.7710 11.7710 11.7766 11.7766 12.0708 12.0708 12.0713 12.0713 13.1389 13.1389 k = 0.1039 0.1674 0.5381 ( 4344 PWs) bands (ev): -13.6711 -13.6711 -13.6710 -13.6710 -9.9414 -9.9414 -9.9406 -9.9406 -9.0567 -9.0567 -9.0553 -9.0553 -3.7677 -3.7677 -3.7671 -3.7671 -0.4464 -0.4464 -0.4463 -0.4463 -0.2362 -0.2362 -0.2313 -0.2313 0.6643 0.6643 0.6737 0.6737 1.8854 1.8854 1.8888 1.8888 2.4185 2.4185 2.4262 2.4262 3.3904 3.3904 3.3977 3.3977 4.0760 4.0760 4.0762 4.0762 5.1569 5.1569 5.1575 5.1575 11.7280 11.7280 11.7332 11.7332 12.0695 12.0695 12.0700 12.0700 13.0964 13.0964 k = 0.0952 0.1534 0.5381 ( 4336 PWs) bands (ev): -13.6734 -13.6734 -13.6733 -13.6733 -9.9557 -9.9557 -9.9550 -9.9550 -9.0221 -9.0221 -9.0208 -9.0208 -3.8136 -3.8136 -3.8130 -3.8130 -0.4701 -0.4701 -0.4700 -0.4700 -0.2132 -0.2132 -0.2086 -0.2086 0.6707 0.6707 0.6796 0.6796 1.8974 1.8974 1.9005 1.9005 2.4271 2.4271 2.4343 2.4343 3.4082 3.4082 3.4151 3.4151 4.0743 4.0743 4.0746 4.0746 5.1784 5.1784 5.1790 5.1790 11.6877 11.6877 11.6924 11.6924 12.0695 12.0695 12.0700 12.0700 13.0570 13.0570 k = 0.0866 0.1395 0.5381 ( 4332 PWs) bands (ev): -13.6755 -13.6755 -13.6755 -13.6755 -9.9689 -9.9689 -9.9682 -9.9682 -8.9895 -8.9895 -8.9883 -8.9883 -3.8567 -3.8567 -3.8561 -3.8561 -0.4919 -0.4919 -0.4919 -0.4919 -0.1930 -0.1930 -0.1886 -0.1886 0.6773 0.6773 0.6856 0.6856 1.9086 1.9086 1.9114 1.9114 2.4344 2.4344 2.4411 2.4411 3.4263 3.4263 3.4327 3.4327 4.0731 4.0731 4.0733 4.0733 5.1981 5.1981 5.1988 5.1988 11.6502 11.6502 11.6545 11.6545 12.0706 12.0706 12.0710 12.0710 13.0211 13.0211 k = 0.0779 0.1255 0.5381 ( 4340 PWs) bands (ev): -13.6775 -13.6775 -13.6774 -13.6774 -9.9808 -9.9808 -9.9802 -9.9802 -8.9592 -8.9592 -8.9581 -8.9581 -3.8967 -3.8967 -3.8961 -3.8961 -0.5117 -0.5117 -0.5117 -0.5117 -0.1754 -0.1754 -0.1713 -0.1713 0.6839 0.6839 0.6915 0.6915 1.9190 1.9190 1.9215 1.9215 2.4406 2.4406 2.4467 2.4467 3.4443 3.4443 3.4502 3.4502 4.0721 4.0721 4.0723 4.0723 5.2160 5.2160 5.2167 5.2167 11.6158 11.6158 11.6197 11.6197 12.0722 12.0722 12.0727 12.0727 12.9893 12.9893 k = 0.0693 0.1116 0.5381 ( 4340 PWs) bands (ev): -13.6793 -13.6793 -13.6792 -13.6792 -9.9915 -9.9915 -9.9909 -9.9909 -8.9314 -8.9314 -8.9304 -8.9304 -3.9333 -3.9333 -3.9328 -3.9328 -0.5295 -0.5295 -0.5295 -0.5295 -0.1602 -0.1602 -0.1564 -0.1564 0.6904 0.6904 0.6973 0.6973 1.9285 1.9285 1.9307 1.9307 2.4457 2.4457 2.4512 2.4512 3.4618 3.4618 3.4672 3.4672 4.0713 4.0713 4.0715 4.0715 5.2321 5.2321 5.2328 5.2328 11.5846 11.5846 11.5880 11.5880 12.0742 12.0742 12.0746 12.0746 12.9619 12.9619 k = 0.0606 0.0976 0.5381 ( 4344 PWs) bands (ev): -13.6809 -13.6809 -13.6808 -13.6808 -10.0009 -10.0009 -10.0004 -10.0004 -8.9063 -8.9063 -8.9054 -8.9054 -3.9663 -3.9663 -3.9658 -3.9658 -0.5453 -0.5453 -0.5453 -0.5453 -0.1472 -0.1472 -0.1438 -0.1438 0.6966 0.6966 0.7028 0.7028 1.9370 1.9370 1.9389 1.9389 2.4498 2.4498 2.4547 2.4547 3.4784 3.4784 3.4832 3.4832 4.0708 4.0708 4.0710 4.0710 5.2464 5.2464 5.2470 5.2470 11.5567 11.5567 11.5597 11.5597 12.0762 12.0762 12.0766 12.0766 12.9388 12.9388 k = 0.0519 0.0837 0.5381 ( 4338 PWs) bands (ev): -13.6823 -13.6823 -13.6822 -13.6822 -10.0091 -10.0091 -10.0087 -10.0087 -8.8841 -8.8841 -8.8833 -8.8833 -3.9955 -3.9955 -3.9950 -3.9950 -0.5590 -0.5590 -0.5590 -0.5590 -0.1363 -0.1363 -0.1333 -0.1333 0.7025 0.7025 0.7078 0.7078 1.9445 1.9445 1.9462 1.9462 2.4531 2.4531 2.4574 2.4574 3.4937 3.4937 3.4979 3.4979 4.0704 4.0704 4.0706 4.0706 5.2588 5.2588 5.2593 5.2593 11.5323 11.5323 11.5349 11.5349 12.0782 12.0782 12.0785 12.0785 12.9201 12.9201 k = 0.0433 0.0697 0.5381 ( 4342 PWs) bands (ev): -13.6835 -13.6835 -13.6834 -13.6834 -10.0160 -10.0160 -10.0157 -10.0157 -8.8650 -8.8650 -8.8643 -8.8643 -4.0205 -4.0205 -4.0201 -4.0201 -0.5706 -0.5706 -0.5706 -0.5706 -0.1273 -0.1273 -0.1248 -0.1248 0.7077 0.7077 0.7123 0.7123 1.9510 1.9510 1.9524 1.9524 2.4557 2.4557 2.4593 2.4593 3.5075 3.5075 3.5110 3.5110 4.0702 4.0702 4.0703 4.0703 5.2692 5.2692 5.2697 5.2697 11.5116 11.5116 11.5137 11.5137 12.0798 12.0798 12.0800 12.0800 12.9055 12.9055 k = 0.0346 0.0558 0.5381 ( 4346 PWs) bands (ev): -13.6844 -13.6844 -13.6844 -13.6844 -10.0217 -10.0217 -10.0214 -10.0214 -8.8491 -8.8491 -8.8485 -8.8485 -4.0413 -4.0413 -4.0410 -4.0410 -0.5801 -0.5801 -0.5801 -0.5801 -0.1200 -0.1200 -0.1180 -0.1180 0.7123 0.7123 0.7160 0.7160 1.9564 1.9564 1.9575 1.9575 2.4578 2.4578 2.4606 2.4606 3.5193 3.5193 3.5221 3.5221 4.0700 4.0700 4.0701 4.0701 5.2778 5.2778 5.2782 5.2782 11.4945 11.4945 11.4962 11.4962 12.0810 12.0810 12.0812 12.0812 12.8946 12.8946 k = 0.0260 0.0418 0.5381 ( 4336 PWs) bands (ev): -13.6852 -13.6852 -13.6852 -13.6852 -10.0261 -10.0261 -10.0259 -10.0259 -8.8366 -8.8366 -8.8361 -8.8361 -4.0576 -4.0576 -4.0574 -4.0574 -0.5876 -0.5876 -0.5875 -0.5875 -0.1144 -0.1144 -0.1129 -0.1129 0.7161 0.7161 0.7188 0.7188 1.9606 1.9606 1.9614 1.9614 2.4593 2.4593 2.4614 2.4614 3.5288 3.5288 3.5310 3.5310 4.0699 4.0699 4.0700 4.0700 5.2845 5.2845 5.2849 5.2849 11.4811 11.4811 11.4824 11.4824 12.0819 12.0819 12.0820 12.0820 12.8868 12.8868 k = 0.0173 0.0279 0.5381 ( 4340 PWs) bands (ev): -13.6858 -13.6858 -13.6857 -13.6857 -10.0292 -10.0292 -10.0291 -10.0291 -8.8275 -8.8275 -8.8272 -8.8272 -4.0694 -4.0694 -4.0692 -4.0692 -0.5929 -0.5929 -0.5929 -0.5929 -0.1105 -0.1105 -0.1094 -0.1094 0.7190 0.7190 0.7208 0.7208 1.9637 1.9637 1.9643 1.9643 2.4604 2.4604 2.4619 2.4619 3.5359 3.5359 3.5373 3.5373 4.0699 4.0699 4.0699 4.0699 5.2893 5.2893 5.2896 5.2896 11.4716 11.4716 11.4725 11.4725 12.0825 12.0825 12.0826 12.0826 12.8817 12.8818 k = 0.0087 0.0139 0.5381 ( 4344 PWs) bands (ev): -13.6861 -13.6861 -13.6861 -13.6861 -10.0311 -10.0311 -10.0310 -10.0310 -8.8220 -8.8220 -8.8219 -8.8219 -4.0765 -4.0765 -4.0764 -4.0764 -0.5960 -0.5960 -0.5960 -0.5960 -0.1080 -0.1080 -0.1075 -0.1075 0.7209 0.7209 0.7219 0.7219 1.9656 1.9656 1.9659 1.9659 2.4612 2.4612 2.4620 2.4620 3.5403 3.5403 3.5411 3.5411 4.0698 4.0698 4.0699 4.0699 5.2922 5.2922 5.2923 5.2923 11.4660 11.4660 11.4664 11.4664 12.0828 12.0828 12.0828 12.0828 12.8789 12.8789 k = 0.0000 0.0000 0.5381 ( 4340 PWs) bands (ev): -13.6862 -13.6862 -13.6862 -13.6862 -10.0317 -10.0317 -10.0317 -10.0317 -8.8201 -8.8201 -8.8201 -8.8201 -4.0788 -4.0788 -4.0788 -4.0788 -0.5971 -0.5971 -0.5971 -0.5971 -0.1070 -0.1070 -0.1070 -0.1070 0.7219 0.7219 0.7219 0.7219 1.9664 1.9664 1.9664 1.9664 2.4617 2.4617 2.4617 2.4617 3.5421 3.5421 3.5421 3.5421 4.0699 4.0699 4.0699 4.0699 5.2932 5.2932 5.2932 5.2932 11.4643 11.4643 11.4643 11.4643 12.0829 12.0829 12.0829 12.0829 12.8780 12.8780 k = 0.0000 0.0000 0.5381 ( 4340 PWs) bands (ev): -13.6862 -13.6862 -13.6862 -13.6862 -10.0317 -10.0317 -10.0317 -10.0317 -8.8201 -8.8201 -8.8201 -8.8201 -4.0788 -4.0788 -4.0788 -4.0788 -0.5971 -0.5971 -0.5971 -0.5971 -0.1070 -0.1070 -0.1070 -0.1070 0.7219 0.7219 0.7219 0.7219 1.9664 1.9664 1.9664 1.9664 2.4617 2.4617 2.4617 2.4617 3.5421 3.5421 3.5421 3.5421 4.0699 4.0699 4.0699 4.0699 5.2932 5.2932 5.2932 5.2932 11.4643 11.4643 11.4643 11.4643 12.0829 12.0829 12.0829 12.0829 12.8780 12.8780 k = 0.0000 0.0000 0.5218 ( 4352 PWs) bands (ev): -13.6980 -13.6980 -13.6745 -13.6745 -10.0744 -10.0744 -9.9879 -9.9879 -8.8249 -8.8249 -8.8159 -8.8159 -4.0805 -4.0805 -4.0746 -4.0746 -0.6150 -0.6150 -0.5786 -0.5786 -0.1915 -0.1915 -0.0357 -0.0357 0.7092 0.7092 0.7475 0.7475 1.9414 1.9414 1.9868 1.9868 2.4585 2.4585 2.4668 2.4668 3.5310 3.5310 3.5530 3.5530 4.0441 4.0441 4.0942 4.0942 5.2736 5.2736 5.3117 5.3117 11.4616 11.4616 11.4768 11.4768 12.0772 12.0772 12.0870 12.0870 12.8415 12.8415 k = 0.0000 0.0000 0.5055 ( 4352 PWs) bands (ev): -13.7099 -13.7099 -13.6629 -13.6629 -10.1160 -10.1160 -9.9431 -9.9431 -8.8302 -8.8302 -8.8122 -8.8122 -4.0797 -4.0797 -4.0680 -4.0680 -0.6323 -0.6323 -0.5597 -0.5597 -0.2865 -0.2865 0.0202 0.0202 0.7071 0.7071 0.7876 0.7876 1.9121 1.9121 2.0026 2.0026 2.4569 2.4569 2.4741 2.4741 3.5199 3.5199 3.5639 3.5639 4.0171 4.0171 4.1172 4.1172 5.2529 5.2529 5.3289 5.3289 11.4688 11.4688 11.4992 11.4992 12.0709 12.0709 12.0881 12.0881 12.8051 12.8051 k = 0.0000 0.0000 0.4892 ( 4352 PWs) bands (ev): -13.7219 -13.7219 -13.6515 -13.6515 -10.1565 -10.1565 -9.8974 -9.8974 -8.8360 -8.8360 -8.8091 -8.8091 -4.0766 -4.0766 -4.0588 -4.0588 -0.6488 -0.6488 -0.5403 -0.5403 -0.3893 -0.3893 0.0604 0.0604 0.7130 0.7130 0.8423 0.8423 1.8785 1.8785 2.0138 2.0138 2.4567 2.4567 2.4839 2.4839 3.5087 3.5087 3.5745 3.5745 3.9889 3.9889 4.1388 4.1388 5.2311 5.2311 5.3449 5.3449 11.4859 11.4859 11.5313 11.5313 12.0646 12.0646 12.0847 12.0847 12.7715 12.7715 k = 0.0000 0.0000 0.4729 ( 4344 PWs) bands (ev): -13.7339 -13.7339 -13.6402 -13.6402 -10.1957 -10.1957 -9.8507 -9.8507 -8.8423 -8.8423 -8.8066 -8.8066 -4.0712 -4.0712 -4.0471 -4.0471 -0.6645 -0.6645 -0.5209 -0.5209 -0.4973 -0.4973 0.0862 0.0862 0.7252 0.7252 0.9096 0.9096 1.8409 1.8409 2.0202 2.0202 2.4577 2.4577 2.4964 2.4964 3.4974 3.4974 3.5851 3.5851 3.9598 3.9598 4.1590 4.1590 5.2083 5.2083 5.3597 5.3597 11.5127 11.5127 11.5728 11.5728 12.0589 12.0589 12.0749 12.0749 12.7433 12.7433 k = 0.0000 0.0000 0.4566 ( 4334 PWs) bands (ev): -13.7459 -13.7459 -13.6292 -13.6292 -10.2337 -10.2337 -9.8033 -9.8033 -8.8490 -8.8490 -8.8046 -8.8046 -4.0636 -4.0636 -4.0330 -4.0330 -0.6793 -0.6793 -0.6098 -0.6098 -0.5005 -0.5005 0.1001 0.1001 0.7420 0.7420 0.9866 0.9866 1.7992 1.7992 2.0218 2.0218 2.4597 2.4597 2.5121 2.5121 3.4862 3.4862 3.5954 3.5954 3.9300 3.9300 4.1780 4.1780 5.1846 5.1846 5.3733 5.3733 11.5490 11.5490 11.6234 11.6234 12.0540 12.0540 12.0571 12.0571 12.7229 12.7229 k = 0.0000 0.0000 0.4403 ( 4336 PWs) bands (ev): -13.7579 -13.7579 -13.6184 -13.6184 -10.2704 -10.2704 -9.7551 -9.7551 -8.8562 -8.8562 -8.8032 -8.8032 -4.0538 -4.0538 -4.0164 -4.0164 -0.7242 -0.7242 -0.6931 -0.6931 -0.4804 -0.4804 0.1050 0.1050 0.7624 0.7624 1.0697 1.0697 1.7538 1.7538 2.0185 2.0185 2.4624 2.4624 2.5314 2.5314 3.4749 3.4749 3.6056 3.6056 3.8997 3.8997 4.1958 4.1958 5.1600 5.1600 5.3857 5.3857 11.5946 11.5946 11.6828 11.6828 12.0299 12.0299 12.0504 12.0504 12.7122 12.7122 k = 0.0000 0.0000 0.4240 ( 4340 PWs) bands (ev): -13.7698 -13.7698 -13.6079 -13.6079 -10.3059 -10.3059 -9.7063 -9.7063 -8.8637 -8.8637 -8.8023 -8.8023 -4.0421 -4.0421 -3.9974 -3.9974 -0.8399 -0.8399 -0.7059 -0.7059 -0.4601 -0.4601 0.1034 0.1034 0.7856 0.7856 1.1558 1.1558 1.7048 1.7048 2.0104 2.0104 2.4658 2.4658 2.5547 2.5547 3.4637 3.4637 3.6156 3.6156 3.8692 3.8692 4.2126 4.2126 5.1348 5.1348 5.3968 5.3968 11.6491 11.6491 11.7505 11.7505 11.9933 11.9933 12.0478 12.0478 12.7117 12.7117 k = 0.0000 0.0000 0.4077 ( 4332 PWs) bands (ev): -13.7815 -13.7815 -13.5977 -13.5977 -10.3400 -10.3400 -9.6570 -9.6570 -8.8715 -8.8715 -8.8019 -8.8019 -4.0286 -4.0286 -3.9762 -3.9762 -0.9562 -0.9562 -0.7175 -0.7175 -0.4398 -0.4398 0.0972 0.0972 0.8109 0.8109 1.2424 1.2424 1.6524 1.6524 1.9975 1.9975 2.4695 2.4695 2.5824 2.5824 3.4525 3.4525 3.6255 3.6255 3.8388 3.8388 4.2284 4.2284 5.1090 5.1090 5.4069 5.4069 11.7122 11.7122 11.8261 11.8261 11.9479 11.9479 12.0464 12.0464 12.7214 12.7214 k = 0.0000 0.0000 0.3914 ( 4324 PWs) bands (ev): -13.7932 -13.7932 -13.5877 -13.5877 -10.3728 -10.3728 -9.6073 -9.6073 -8.8795 -8.8795 -8.8020 -8.8020 -4.0133 -4.0133 -3.9527 -3.9527 -1.0722 -1.0722 -0.7279 -0.7279 -0.4195 -0.4195 0.0878 0.0878 0.8380 0.8380 1.3273 1.3273 1.5970 1.5970 1.9798 1.9798 2.4736 2.4736 2.6150 2.6150 3.4415 3.4415 3.6351 3.6351 3.8089 3.8089 4.2435 4.2435 5.0827 5.0827 5.4159 5.4159 11.7834 11.7834 11.8949 11.8949 11.9091 11.9091 12.0463 12.0463 12.7401 12.7401 k = 0.0000 0.0000 0.3751 ( 4326 PWs) bands (ev): -13.8047 -13.8047 -13.5780 -13.5780 -10.4043 -10.4043 -9.5573 -9.5573 -8.8878 -8.8878 -8.8026 -8.8026 -3.9966 -3.9966 -3.9272 -3.9272 -1.1875 -1.1875 -0.7370 -0.7370 -0.3992 -0.3992 0.0763 0.0763 0.8665 0.8665 1.4088 1.4088 1.5387 1.5387 1.9575 1.9575 2.4777 2.4777 2.6529 2.6529 3.4305 3.4305 3.6445 3.6445 3.7797 3.7797 4.2580 4.2580 5.0560 5.0560 5.4240 5.4240 11.8362 11.8362 11.8626 11.8626 11.9984 11.9984 12.0472 12.0472 12.7666 12.7666 k = 0.0000 0.0000 0.3588 ( 4336 PWs) bands (ev): -13.8160 -13.8160 -13.5687 -13.5687 -10.4344 -10.4344 -9.5072 -9.5072 -8.8963 -8.8963 -8.8036 -8.8036 -3.9784 -3.9784 -3.8997 -3.8997 -1.3016 -1.3016 -0.7447 -0.7447 -0.3790 -0.3790 0.0633 0.0633 0.8960 0.8960 1.4777 1.4777 1.4860 1.4860 1.9306 1.9306 2.4817 2.4817 2.6961 2.6961 3.4197 3.4197 3.6537 3.6537 3.7515 3.7515 4.2718 4.2718 5.0292 5.0292 5.4311 5.4311 11.7731 11.7731 11.9487 11.9487 12.0490 12.0490 12.0937 12.0937 12.7995 12.7995 k = 0.0000 0.0000 0.3425 ( 4332 PWs) bands (ev): -13.8271 -13.8271 -13.5597 -13.5597 -10.4632 -10.4632 -9.4570 -9.4570 -8.9048 -8.9048 -8.8049 -8.8049 -3.9590 -3.9590 -3.8704 -3.8704 -1.4140 -1.4140 -0.7510 -0.7510 -0.3590 -0.3590 0.0495 0.0495 0.9264 0.9264 1.4149 1.4149 1.5573 1.5573 1.8994 1.8994 2.4855 2.4855 2.7448 2.7448 3.4092 3.4092 3.6627 3.6627 3.7247 3.7247 4.2853 4.2853 5.0022 5.0022 5.4374 5.4374 11.7068 11.7068 12.0415 12.0415 12.0519 12.0519 12.1936 12.1936 12.8378 12.8378 k = 0.0000 0.0000 0.3261 ( 4334 PWs) bands (ev): -13.8379 -13.8379 -13.5511 -13.5511 -10.4906 -10.4906 -9.4070 -9.4070 -8.9134 -8.9134 -8.8066 -8.8066 -3.9387 -3.9387 -3.8395 -3.8395 -1.5243 -1.5243 -0.7559 -0.7559 -0.3392 -0.3392 0.0352 0.0352 0.9574 0.9574 1.3500 1.3500 1.6227 1.6227 1.8642 1.8642 2.4889 2.4889 2.7988 2.7988 3.3989 3.3989 3.6709 3.6709 3.6998 3.6998 4.2984 4.2984 4.9754 4.9754 5.4430 5.4430 11.6384 11.6384 12.0553 12.0553 12.1407 12.1407 12.2967 12.2967 12.8803 12.8803 k = 0.0000 0.0000 0.3098 ( 4328 PWs) bands (ev): -13.8484 -13.8484 -13.5428 -13.5428 -10.5167 -10.5167 -9.3574 -9.3574 -8.9220 -8.9220 -8.8086 -8.8086 -3.9175 -3.9175 -3.8072 -3.8072 -1.6322 -1.6322 -0.7592 -0.7592 -0.3196 -0.3196 0.0208 0.0208 0.9888 0.9888 1.2836 1.2836 1.6819 1.6819 1.8252 1.8252 2.4919 2.4919 2.8577 2.8577 3.3889 3.3889 3.6708 3.6708 3.6846 3.6846 4.3112 4.3112 4.9487 4.9487 5.4480 5.4480 11.5689 11.5689 12.0592 12.0592 12.2454 12.2454 12.4006 12.4006 12.9202 12.9202 k = 0.0000 0.0000 0.2935 ( 4332 PWs) bands (ev): -13.8585 -13.8585 -13.5349 -13.5349 -10.5413 -10.5413 -9.3083 -9.3083 -8.9306 -8.9306 -8.8109 -8.8109 -3.8957 -3.8957 -3.7737 -3.7737 -1.7373 -1.7373 -0.7610 -0.7610 -0.3003 -0.3003 0.0063 0.0063 1.0206 1.0206 1.2160 1.2160 1.7348 1.7348 1.7829 1.7829 2.4942 2.4942 2.9206 2.9206 3.3793 3.3793 3.6510 3.6510 3.6907 3.6907 4.3237 4.3237 4.9224 4.9224 5.4525 5.4525 11.4988 11.4988 12.0635 12.0635 12.3551 12.3551 12.5011 12.5011 12.9078 12.9078 k = 0.0000 0.0000 0.2772 ( 4338 PWs) bands (ev): -13.8684 -13.8684 -13.5274 -13.5274 -10.5647 -10.5647 -9.2598 -9.2598 -8.9390 -8.9390 -8.8134 -8.8134 -3.8736 -3.8736 -3.7392 -3.7392 -1.8393 -1.8393 -0.7612 -0.7612 -0.2812 -0.2812 -0.0079 -0.0079 1.0524 1.0524 1.1476 1.1476 1.7377 1.7377 1.7819 1.7819 2.4958 2.4958 2.9867 2.9867 3.3702 3.3702 3.6307 3.6307 3.6987 3.6987 4.3360 4.3360 4.8966 4.8966 5.4566 5.4566 11.4289 11.4289 12.0679 12.0679 12.4691 12.4691 12.5899 12.5899 12.8947 12.8947 k = 0.0000 0.0000 0.2609 ( 4338 PWs) bands (ev): -13.8778 -13.8778 -13.5202 -13.5202 -10.5866 -10.5866 -9.2123 -9.2123 -8.9473 -8.9473 -8.8160 -8.8160 -3.8512 -3.8512 -3.7040 -3.7040 -1.9378 -1.9378 -0.7599 -0.7599 -0.2623 -0.2623 -0.0217 -0.0217 1.0779 1.0779 1.0851 1.0851 1.6901 1.6901 1.8235 1.8235 2.4967 2.4967 3.0548 3.0548 3.3619 3.3619 3.6119 3.6119 3.7069 3.7069 4.3481 4.3481 4.8715 4.8715 5.4604 5.4604 11.3597 11.3597 12.0722 12.0722 12.5869 12.5869 12.6515 12.6515 12.8832 12.8832 k = 0.0000 0.0000 0.2446 ( 4338 PWs) bands (ev): -13.8868 -13.8868 -13.5135 -13.5135 -10.6072 -10.6072 -9.1659 -9.1659 -8.9553 -8.9553 -8.8187 -8.8187 -3.8289 -3.8289 -3.6683 -3.6683 -2.0325 -2.0325 -0.7571 -0.7571 -0.2438 -0.2438 -0.0351 -0.0351 1.0099 1.0099 1.1159 1.1159 1.6406 1.6406 1.8602 1.8602 2.4967 2.4967 3.1234 3.1234 3.3547 3.3547 3.5947 3.5947 3.7149 3.7149 4.3599 4.3599 4.8471 4.8471 5.4641 5.4641 11.2917 11.2917 12.0763 12.0763 12.6690 12.6690 12.7084 12.7084 12.8734 12.8734 k = 0.0000 0.0000 0.2283 ( 4338 PWs) bands (ev): -13.8954 -13.8954 -13.5072 -13.5072 -10.6264 -10.6264 -9.1209 -9.1209 -8.9631 -8.9631 -8.8215 -8.8215 -3.8068 -3.8068 -3.6325 -3.6325 -2.1232 -2.1232 -0.7529 -0.7529 -0.2254 -0.2254 -0.0479 -0.0479 0.9416 0.9416 1.1470 1.1470 1.5899 1.5899 1.8925 1.8925 2.4959 2.4959 3.1902 3.1902 3.3499 3.3499 3.5791 3.5791 3.7227 3.7227 4.3715 4.3715 4.8236 4.8236 5.4677 5.4677 11.2253 11.2253 12.0800 12.0800 12.6467 12.6467 12.8314 12.8314 12.8658 12.8658 k = 0.0000 0.0000 0.2120 ( 4330 PWs) bands (ev): -13.9035 -13.9035 -13.5013 -13.5013 -10.6443 -10.6443 -9.0774 -9.0774 -8.9705 -8.9705 -8.8244 -8.8244 -3.7851 -3.7851 -3.5969 -3.5969 -2.2094 -2.2094 -0.7473 -0.7473 -0.2073 -0.2073 -0.0601 -0.0601 0.8741 0.8741 1.1776 1.1776 1.5384 1.5384 1.9210 1.9210 2.4942 2.4942 3.2502 3.2502 3.3515 3.3515 3.5652 3.5652 3.7304 3.7304 4.3827 4.3827 4.8011 4.8011 5.4712 5.4712 11.1610 11.1610 12.0832 12.0832 12.6014 12.6014 12.8600 12.8600 12.9565 12.9565 k = 0.0000 0.0000 0.1957 ( 4320 PWs) bands (ev): -13.9112 -13.9112 -13.4958 -13.4958 -10.6609 -10.6609 -9.0358 -9.0358 -8.9776 -8.9776 -8.8272 -8.8272 -3.7641 -3.7641 -3.5617 -3.5617 -2.2908 -2.2908 -0.7405 -0.7405 -0.1894 -0.1894 -0.0715 -0.0715 0.8078 0.8078 1.2074 1.2074 1.4868 1.4868 1.9461 1.9461 2.4917 2.4917 3.2885 3.2885 3.3735 3.3735 3.5527 3.5527 3.7378 3.7378 4.3935 4.3935 4.7798 4.7798 5.4748 5.4748 11.0992 11.0992 12.0859 12.0859 12.5470 12.5470 12.8565 12.8565 13.0823 13.0823 k = 0.0000 0.0000 0.1794 ( 4318 PWs) bands (ev): -13.9183 -13.9183 -13.4907 -13.4907 -10.6760 -10.6760 -8.9964 -8.9964 -8.9842 -8.9842 -8.8299 -8.8299 -3.7440 -3.7440 -3.5274 -3.5274 -2.3672 -2.3672 -0.7326 -0.7326 -0.1717 -0.1717 -0.0822 -0.0822 0.7433 0.7433 1.2362 1.2362 1.4358 1.4358 1.9681 1.9681 2.4884 2.4884 3.2983 3.2983 3.4217 3.4217 3.5418 3.5418 3.7450 3.7450 4.4039 4.4039 4.7597 4.7597 5.4785 5.4785 11.0403 11.0403 12.0880 12.0880 12.4903 12.4903 12.8550 12.8550 13.2082 13.2082 k = 0.0000 0.0000 0.1631 ( 4322 PWs) bands (ev): -13.9248 -13.9248 -13.4861 -13.4861 -10.6899 -10.6899 -8.9907 -8.9907 -8.9590 -8.9590 -8.8326 -8.8326 -3.7249 -3.7249 -3.4944 -3.4944 -2.4383 -2.4383 -0.7238 -0.7238 -0.1541 -0.1541 -0.0921 -0.0921 0.6808 0.6808 1.2637 1.2637 1.3861 1.3861 1.9875 1.9875 2.4845 2.4845 3.2973 3.2973 3.4776 3.4776 3.5324 3.5324 3.7518 3.7518 4.4137 4.4137 4.7409 4.7409 5.4823 5.4823 10.9848 10.9848 12.0895 12.0895 12.4349 12.4349 12.8553 12.8553 13.3331 13.3331 k = 0.0000 0.0000 0.1468 ( 4318 PWs) bands (ev): -13.9308 -13.9308 -13.4819 -13.4819 -10.7024 -10.7024 -8.9964 -8.9964 -8.9245 -8.9245 -8.8351 -8.8351 -3.7070 -3.7070 -3.4629 -3.4629 -2.5036 -2.5036 -0.7144 -0.7144 -0.1366 -0.1366 -0.1011 -0.1011 0.6208 0.6208 1.2898 1.2898 1.3382 1.3382 2.0046 2.0046 2.4801 2.4801 3.2936 3.2936 3.5201 3.5201 3.5368 3.5368 3.7583 3.7583 4.4230 4.4230 4.7237 4.7237 5.4862 5.4862 10.9330 10.9330 12.0905 12.0905 12.3824 12.3824 12.8572 12.8572 13.4300 13.4300 k = 0.0000 0.0000 0.1305 ( 4318 PWs) bands (ev): -13.9363 -13.9363 -13.4781 -13.4781 -10.7136 -10.7136 -9.0016 -9.0016 -8.8927 -8.8927 -8.8374 -8.8374 -3.6905 -3.6905 -3.4334 -3.4334 -2.5630 -2.5630 -0.7046 -0.7046 -0.1194 -0.1194 -0.1091 -0.1091 0.5639 0.5639 1.2929 1.2929 1.3141 1.3141 2.0194 2.0194 2.4753 2.4753 3.2893 3.2893 3.5152 3.5152 3.5862 3.5862 3.7643 3.7643 4.4315 4.4315 4.7079 4.7079 5.4901 5.4901 10.8853 10.8853 12.0910 12.0910 12.3340 12.3340 12.8605 12.8605 13.4695 13.4695 k = 0.0000 0.0000 0.1142 ( 4322 PWs) bands (ev): -13.9411 -13.9411 -13.4748 -13.4748 -10.7234 -10.7234 -9.0063 -9.0063 -8.8641 -8.8641 -8.8395 -8.8395 -3.6756 -3.6756 -3.4063 -3.4063 -2.6162 -2.6162 -0.6948 -0.6948 -0.1168 -0.1168 -0.1017 -0.1017 0.5105 0.5105 1.2508 1.2508 1.3364 1.3364 2.0322 2.0322 2.4703 2.4703 3.2850 3.2850 3.5091 3.5091 3.6332 3.6332 3.7699 3.7699 4.4392 4.4392 4.6939 4.6939 5.4940 5.4940 10.8421 10.8421 12.0912 12.0912 12.2903 12.2903 12.8647 12.8647 13.5043 13.5043 k = 0.0000 0.0000 0.0978 ( 4326 PWs) bands (ev): -13.9453 -13.9453 -13.4719 -13.4719 -10.7320 -10.7320 -9.0105 -9.0105 -8.8421 -8.8421 -8.8380 -8.8380 -3.6623 -3.6623 -3.3819 -3.3819 -2.6628 -2.6628 -0.6852 -0.6852 -0.1231 -0.1231 -0.0847 -0.0847 0.4610 0.4610 1.2127 1.2127 1.3565 1.3565 2.0431 2.0431 2.4654 2.4654 3.2810 3.2810 3.5039 3.5039 3.6748 3.6748 3.7750 3.7750 4.4461 4.4461 4.6815 4.6815 5.4977 5.4977 10.8038 10.8038 12.0910 12.0910 12.2517 12.2517 12.8695 12.8695 13.5340 13.5340 k = 0.0000 0.0000 0.0815 ( 4326 PWs) bands (ev): -13.9489 -13.9489 -13.4695 -13.4695 -10.7392 -10.7392 -9.0140 -9.0140 -8.8433 -8.8433 -8.8166 -8.8166 -3.6509 -3.6509 -3.3606 -3.3606 -2.7027 -2.7027 -0.6763 -0.6763 -0.1284 -0.1284 -0.0681 -0.0681 0.4162 0.4162 1.1791 1.1791 1.3741 1.3741 2.0522 2.0522 2.4607 2.4607 3.2775 3.2775 3.4996 3.4996 3.7106 3.7106 3.7796 3.7796 4.4521 4.4521 4.6709 4.6709 5.5012 5.5012 10.7707 10.7707 12.0907 12.0907 12.2186 12.2186 12.8745 12.8745 13.5586 13.5586 k = 0.0000 0.0000 0.0652 ( 4322 PWs) bands (ev): -13.9518 -13.9518 -13.4675 -13.4675 -10.7451 -10.7451 -9.0169 -9.0169 -8.8446 -8.8446 -8.7985 -8.7985 -3.6414 -3.6414 -3.3426 -3.3426 -2.7357 -2.7357 -0.6684 -0.6684 -0.1329 -0.1329 -0.0524 -0.0524 0.3769 0.3769 1.1507 1.1507 1.3888 1.3888 2.0596 2.0596 2.4566 2.4566 3.2745 3.2745 3.4961 3.4961 3.7399 3.7399 3.7838 3.7838 4.4571 4.4571 4.6621 4.6621 5.5043 5.5043 10.7432 10.7432 12.0903 12.0903 12.1912 12.1912 12.8793 12.8793 13.5781 13.5781 k = 0.0000 0.0000 0.0489 ( 4322 PWs) bands (ev): -13.9541 -13.9541 -13.4659 -13.4659 -10.7496 -10.7496 -9.0192 -9.0192 -8.8457 -8.8457 -8.7842 -8.7842 -3.6340 -3.6340 -3.3284 -3.3284 -2.7615 -2.7615 -0.6618 -0.6618 -0.1363 -0.1363 -0.0382 -0.0382 0.3440 0.3440 1.1279 1.1279 1.4006 1.4006 2.0653 2.0653 2.4531 2.4531 3.2722 3.2722 3.4934 3.4934 3.7621 3.7621 3.7880 3.7880 4.4610 4.4610 4.6553 4.6553 5.5069 5.5069 10.7215 10.7215 12.0899 12.0899 12.1698 12.1698 12.8835 12.8835 13.5928 13.5928 k = 0.0000 0.0000 0.0326 ( 4326 PWs) bands (ev): -13.9558 -13.9558 -13.4648 -13.4648 -10.7529 -10.7529 -9.0209 -9.0209 -8.8465 -8.8465 -8.7739 -8.7739 -3.6286 -3.6286 -3.3180 -3.3180 -2.7801 -2.7801 -0.6569 -0.6569 -0.1388 -0.1388 -0.0265 -0.0265 0.3188 0.3188 1.1113 1.1113 1.4092 1.4092 2.0693 2.0693 2.4504 2.4504 3.2705 3.2705 3.4915 3.4915 3.7759 3.7759 3.7932 3.7932 4.4639 4.4639 4.6503 4.6503 5.5088 5.5088 10.7059 10.7059 12.0895 12.0895 12.1544 12.1544 12.8867 12.8867 13.6029 13.6029 k = 0.0000 0.0000 0.0163 ( 4323 PWs) bands (ev): -13.9568 -13.9568 -13.4641 -13.4641 -10.7549 -10.7549 -9.0219 -9.0219 -8.8470 -8.8470 -8.7676 -8.7676 -3.6253 -3.6253 -3.3117 -3.3117 -2.7913 -2.7913 -0.6539 -0.6539 -0.1403 -0.1403 -0.0188 -0.0188 0.3028 0.3028 1.1012 1.1012 1.4144 1.4144 2.0718 2.0718 2.4488 2.4488 3.2695 3.2695 3.4904 3.4904 3.7818 3.7818 3.7987 3.7987 4.4656 4.4656 4.6473 4.6473 5.5100 5.5100 10.6964 10.6964 12.0893 12.0893 12.1451 12.1451 12.8888 12.8888 13.6088 13.6088 k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.9571 -13.9571 -13.4639 -13.4639 -10.7555 -10.7555 -9.0222 -9.0222 -8.8471 -8.8471 -8.7655 -8.7655 -3.6242 -3.6242 -3.3096 -3.3096 -2.7950 -2.7950 -0.6528 -0.6528 -0.1408 -0.1408 -0.0160 -0.0160 0.2973 0.2973 1.0979 1.0979 1.4161 1.4161 2.0726 2.0726 2.4482 2.4482 3.2691 3.2691 3.4900 3.4900 3.7833 3.7833 3.8011 3.8011 4.4662 4.4662 4.6464 4.6464 5.5104 5.5104 10.6932 10.6932 12.0892 12.0892 12.1420 12.1420 12.8895 12.8895 13.6108 13.6108 k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.9571 -13.9571 -13.4639 -13.4639 -10.7555 -10.7555 -9.0222 -9.0222 -8.8471 -8.8471 -8.7655 -8.7655 -3.6242 -3.6242 -3.3096 -3.3096 -2.7950 -2.7950 -0.6528 -0.6528 -0.1408 -0.1408 -0.0160 -0.0160 0.2973 0.2973 1.0979 1.0979 1.4161 1.4161 2.0726 2.0726 2.4482 2.4482 3.2691 3.2691 3.4900 3.4900 3.7833 3.7833 3.8011 3.8011 4.4662 4.4662 4.6464 4.6464 5.5104 5.5104 10.6932 10.6932 12.0892 12.0892 12.1420 12.1420 12.8895 12.8895 13.6108 13.6108 k =-0.0139 0.0086 0.0000 ( 4321 PWs) bands (ev): -13.9567 -13.9567 -13.4639 -13.4639 -10.7569 -10.7569 -9.0221 -9.0220 -8.8477 -8.8473 -8.7654 -8.7648 -3.6220 -3.6217 -3.3118 -3.3116 -2.7919 -2.7918 -0.6540 -0.6537 -0.1391 -0.1390 -0.0179 -0.0177 0.2961 0.2961 1.0966 1.0967 1.4174 1.4175 2.0741 2.0742 2.4481 2.4483 3.2680 3.2683 3.4872 3.4873 3.7824 3.7825 3.8003 3.8003 4.4662 4.4664 4.6477 4.6478 5.5099 5.5099 10.6966 10.6966 12.0595 12.0603 12.1711 12.1714 12.8895 12.8895 13.6088 13.6092 k =-0.0278 0.0172 0.0000 ( 4321 PWs) bands (ev): -13.9553 -13.9553 -13.4640 -13.4640 -10.7611 -10.7610 -9.0216 -9.0214 -8.8490 -8.8481 -8.7643 -8.7631 -3.6150 -3.6145 -3.3181 -3.3176 -2.7827 -2.7824 -0.6571 -0.6565 -0.1339 -0.1338 -0.0233 -0.0230 0.2928 0.2928 1.0928 1.0930 1.4215 1.4216 2.0788 2.0790 2.4479 2.4482 3.2650 3.2655 3.4789 3.4791 3.7798 3.7800 3.7981 3.7981 4.4664 4.4668 4.6518 4.6521 5.5083 5.5083 10.7066 10.7066 12.0136 12.0149 12.2162 12.2170 12.8895 12.8896 13.6035 13.6042 k =-0.0417 0.0259 0.0000 ( 4321 PWs) bands (ev): -13.9530 -13.9530 -13.4642 -13.4641 -10.7680 -10.7679 -9.0208 -9.0205 -8.8509 -8.8496 -8.7624 -8.7606 -3.6033 -3.6026 -3.3279 -3.3272 -2.7678 -2.7673 -0.6622 -0.6612 -0.1254 -0.1252 -0.0322 -0.0317 0.2873 0.2873 1.0866 1.0870 1.4282 1.4284 2.0866 2.0869 2.4477 2.4481 3.2599 3.2606 3.4653 3.4656 3.7755 3.7757 3.7945 3.7945 4.4669 4.4675 4.6586 4.6589 5.5056 5.5056 10.7231 10.7232 11.9665 11.9682 12.2625 12.2637 12.8896 12.8897 13.5949 13.5960 k =-0.0556 0.0345 0.0000 ( 4323 PWs) bands (ev): -13.9498 -13.9498 -13.4643 -13.4642 -10.7775 -10.7774 -9.0197 -9.0194 -8.8531 -8.8516 -8.7597 -8.7576 -3.5869 -3.5861 -3.3407 -3.3398 -2.7478 -2.7472 -0.6690 -0.6677 -0.1135 -0.1133 -0.0445 -0.0439 0.2797 0.2797 1.0781 1.0785 1.4375 1.4378 2.0975 2.0978 2.4473 2.4479 3.2526 3.2536 3.4467 3.4471 3.7695 3.7698 3.7895 3.7896 4.4678 4.4685 4.6677 4.6681 5.5019 5.5019 10.7461 10.7462 11.9200 11.9222 12.3081 12.3098 12.8896 12.8898 13.5836 13.5850 k =-0.0694 0.0431 0.0000 ( 4327 PWs) bands (ev): -13.9458 -13.9457 -13.4646 -13.4644 -10.7896 -10.7895 -9.0183 -9.0179 -8.8557 -8.8539 -8.7566 -8.7540 -3.5660 -3.5649 -3.3557 -3.3546 -2.7236 -2.7227 -0.6775 -0.6759 -0.0985 -0.0982 -0.0600 -0.0593 0.2700 0.2700 1.0672 1.0677 1.4495 1.4498 2.1111 2.1116 2.4469 2.4477 3.2428 3.2441 3.4235 3.4241 3.7618 3.7621 3.7833 3.7834 4.4692 4.4700 4.6789 4.6793 5.4972 5.4973 10.7754 10.7755 11.8749 11.8775 12.3523 12.3544 12.8897 12.8899 13.5699 13.5715 k =-0.0833 0.0517 0.0000 ( 4331 PWs) bands (ev): -13.9408 -13.9408 -13.4649 -13.4647 -10.8042 -10.8041 -9.0167 -9.0162 -8.8584 -8.8564 -8.7531 -8.7502 -3.5405 -3.5392 -3.3722 -3.3710 -2.6958 -2.6947 -0.6875 -0.6856 -0.0811 -0.0801 -0.0781 -0.0778 0.2582 0.2582 1.0540 1.0547 1.4640 1.4643 2.1275 2.1280 2.4464 2.4473 3.2302 3.2318 3.3965 3.3973 3.7524 3.7528 3.7758 3.7759 4.4712 4.4721 4.6918 4.6923 5.4916 5.4916 10.8106 10.8108 11.8316 11.8346 12.3947 12.3972 12.8897 12.8900 13.5542 13.5560 k =-0.0972 0.0603 0.0000 ( 4331 PWs) bands (ev): -13.9350 -13.9350 -13.4652 -13.4650 -10.8211 -10.8209 -9.0148 -9.0143 -8.8611 -8.8590 -8.7493 -8.7461 -3.5106 -3.5091 -3.3897 -3.3883 -2.6650 -2.6637 -0.6988 -0.6967 -0.1005 -0.0993 -0.0594 -0.0592 0.2445 0.2446 1.0387 1.0394 1.4809 1.4813 2.1464 2.1470 2.4459 2.4469 3.2140 3.2159 3.3665 3.3675 3.7414 3.7417 3.7671 3.7674 4.4738 4.4748 4.7063 4.7067 5.4850 5.4851 10.8517 10.8518 11.7906 11.7940 12.4350 12.4378 12.8898 12.8901 13.5369 13.5389 k =-0.1111 0.0690 0.0000 ( 4331 PWs) bands (ev): -13.9284 -13.9284 -13.4655 -13.4653 -10.8401 -10.8400 -9.0128 -9.0122 -8.8638 -8.8616 -8.7454 -8.7420 -3.4764 -3.4747 -3.4077 -3.4061 -2.6318 -2.6302 -0.7114 -0.7090 -0.1250 -0.1235 -0.0358 -0.0355 0.2290 0.2290 1.0213 1.0220 1.5003 1.5006 2.1677 2.1683 2.4452 2.4464 3.1934 3.1957 3.3349 3.3360 3.7287 3.7291 3.7575 3.7577 4.4771 4.4780 4.7219 4.7222 5.4777 5.4777 10.8982 10.8984 11.7523 11.7561 12.4727 12.4758 12.8900 12.8903 13.5185 13.5205 k =-0.1250 0.0776 0.0000 ( 4327 PWs) bands (ev): -13.9210 -13.9210 -13.4659 -13.4657 -10.8612 -10.8610 -9.0106 -9.0100 -8.8663 -8.8640 -8.7415 -8.7379 -3.4379 -3.4360 -3.4257 -3.4240 -2.5965 -2.5947 -0.7250 -0.7224 -0.1520 -0.1503 -0.0095 -0.0092 0.2117 0.2118 1.0018 1.0026 1.5219 1.5222 2.1910 2.1916 2.4445 2.4459 3.1674 3.1700 3.3029 3.3042 3.7145 3.7149 3.7467 3.7471 4.4810 4.4819 4.7383 4.7386 5.4696 5.4696 10.9499 10.9501 11.7170 11.7211 12.5076 12.5109 12.8906 12.8908 13.4992 13.5012 k =-0.1389 0.0862 0.0000 ( 4322 PWs) bands (ev): -13.9129 -13.9128 -13.4664 -13.4661 -10.8840 -10.8839 -9.0084 -9.0077 -8.8685 -8.8662 -8.7377 -8.7339 -3.4435 -3.4417 -3.3954 -3.3933 -2.5596 -2.5576 -0.7396 -0.7367 -0.1813 -0.1793 0.0192 0.0196 0.1927 0.1928 0.9803 0.9811 1.5457 1.5460 2.2162 2.2169 2.4438 2.4453 3.1352 3.1378 3.2721 3.2734 3.6988 3.6992 3.7351 3.7355 4.4854 4.4863 4.7554 4.7556 5.4608 5.4609 11.0063 11.0066 11.6850 11.6894 12.5392 12.5427 12.8917 12.8919 13.4792 13.4813 k =-0.1528 0.0948 0.0000 ( 4326 PWs) bands (ev): -13.9040 -13.9040 -13.4668 -13.4665 -10.9086 -10.9084 -9.0061 -9.0054 -8.8705 -8.8681 -8.7341 -8.7302 -3.4608 -3.4589 -3.3489 -3.3466 -2.5214 -2.5191 -0.7551 -0.7520 -0.2126 -0.2104 0.0503 0.0507 0.1722 0.1724 0.9567 0.9576 1.5715 1.5718 2.2430 2.2438 2.4430 2.4446 3.0964 3.0990 3.2430 3.2441 3.6817 3.6821 3.7225 3.7230 4.4902 4.4910 4.7730 4.7731 5.4514 5.4515 11.0672 11.0675 11.6565 11.6612 12.5671 12.5706 12.8937 12.8938 13.4588 13.4608 k =-0.1667 0.1034 0.0000 ( 4326 PWs) bands (ev): -13.8945 -13.8945 -13.4673 -13.4670 -10.9346 -10.9344 -9.0038 -9.0030 -8.8721 -8.8697 -8.7307 -8.7267 -3.4774 -3.4754 -3.2987 -3.2962 -2.4821 -2.4796 -0.7714 -0.7680 -0.2458 -0.2432 0.0836 0.0840 0.1503 0.1505 0.9313 0.9322 1.5994 1.5996 2.2713 2.2721 2.4422 2.4439 3.0519 3.0544 3.2154 3.2163 3.6631 3.6635 3.7091 3.7096 4.4953 4.4961 4.7907 4.7907 5.4416 5.4417 11.1321 11.1324 11.6318 11.6368 12.5909 12.5944 12.8971 12.8971 13.4381 13.4400 k =-0.1806 0.1120 0.0000 ( 4334 PWs) bands (ev): -13.8844 -13.8843 -13.4678 -13.4675 -10.9618 -10.9616 -9.0014 -9.0007 -8.8734 -8.8709 -8.7277 -8.7235 -3.4931 -3.4911 -3.2448 -3.2422 -2.4420 -2.4392 -0.7885 -0.7848 -0.2805 -0.2776 0.1187 0.1192 0.1273 0.1278 0.9038 0.9048 1.6291 1.6292 2.3008 2.3016 2.4414 2.4433 3.0027 3.0050 3.1886 3.1892 3.6432 3.6437 3.6949 3.6955 4.5007 4.5014 4.8083 4.8084 5.4314 5.4314 11.2006 11.2010 11.6111 11.6163 12.6101 12.6134 12.9020 12.9023 13.4171 13.4191 k =-0.1944 0.1207 0.0000 ( 4330 PWs) bands (ev): -13.8737 -13.8736 -13.4684 -13.4680 -10.9900 -10.9899 -8.9992 -8.9984 -8.8742 -8.8717 -8.7249 -8.7206 -3.5079 -3.5058 -3.1876 -3.1847 -2.4012 -2.3982 -0.8062 -0.8023 -0.3165 -0.3132 0.1026 0.1029 0.1567 0.1570 0.8745 0.8755 1.6605 1.6606 2.3311 2.3321 2.4406 2.4427 2.9502 2.9523 3.1619 3.1621 3.6220 3.6225 3.6800 3.6806 4.5061 4.5068 4.8259 4.8261 5.4209 5.4210 11.2725 11.2729 11.5944 11.5998 12.6243 12.6274 12.9091 12.9096 13.3961 13.3979 k =-0.2083 0.1293 0.0000 ( 4326 PWs) bands (ev): -13.8625 -13.8624 -13.4689 -13.4686 -11.0191 -11.0189 -8.9970 -8.9962 -8.8747 -8.8721 -8.7226 -8.7182 -3.5217 -3.5196 -3.1271 -3.1240 -2.3600 -2.3568 -0.8245 -0.8204 -0.3534 -0.3499 0.0772 0.0776 0.1960 0.1963 0.8432 0.8443 1.6935 1.6935 2.3621 2.3631 2.4399 2.4422 2.8953 2.8973 3.1347 3.1348 3.5996 3.6001 3.6645 3.6652 4.5115 4.5121 4.8431 4.8434 5.4102 5.4103 11.3471 11.3476 11.5820 11.5875 12.6334 12.6362 12.9184 12.9192 13.3749 13.3767 k =-0.2222 0.1379 0.0000 ( 4310 PWs) bands (ev): -13.8508 -13.8507 -13.4695 -13.4691 -11.0488 -11.0486 -8.9949 -8.9941 -8.8747 -8.8721 -8.7206 -8.7162 -3.5345 -3.5323 -3.0635 -3.0602 -2.3185 -2.3150 -0.8435 -0.8391 -0.3912 -0.3872 0.0508 0.0514 0.2371 0.2374 0.8101 0.8112 1.7278 1.7279 2.3933 2.3944 2.4395 2.4418 2.8390 2.8409 3.1067 3.1071 3.5758 3.5764 3.6484 3.6491 4.5168 4.5173 4.8600 4.8604 5.3995 5.3996 11.4243 11.4248 11.5737 11.5794 12.6377 12.6402 12.9298 12.9309 13.3537 13.3554 k =-0.2361 0.1465 0.0000 ( 4310 PWs) bands (ev): -13.8388 -13.8387 -13.4701 -13.4697 -11.0789 -11.0787 -8.9928 -8.9920 -8.8743 -8.8716 -8.7191 -8.7146 -3.5461 -3.5439 -2.9971 -2.9936 -2.2769 -2.2732 -0.8631 -0.8585 -0.4293 -0.4250 0.0238 0.0244 0.2798 0.2801 0.7752 0.7763 1.7633 1.7637 2.4243 2.4253 2.4394 2.4418 2.7821 2.7839 3.0781 3.0787 3.5508 3.5515 3.6317 3.6325 4.5218 4.5223 4.8764 4.8769 5.3888 5.3889 11.5035 11.5041 11.5697 11.5755 12.6374 12.6395 12.9430 12.9443 13.3325 13.3340 k =-0.2500 0.1551 0.0000 ( 4314 PWs) bands (ev): -13.8265 -13.8264 -13.4706 -13.4703 -11.1091 -11.1090 -8.9910 -8.9902 -8.8734 -8.8707 -8.7181 -8.7135 -3.5566 -3.5544 -2.9280 -2.9244 -2.2354 -2.2314 -0.8835 -0.8786 -0.4677 -0.4630 -0.0039 -0.0032 0.3238 0.3241 0.7386 0.7397 1.8000 1.8004 2.4385 2.4414 2.4553 2.4567 2.7252 2.7270 3.0490 3.0499 3.5246 3.5254 3.6145 3.6153 4.5265 4.5269 4.8923 4.8929 5.3782 5.3783 11.5699 11.5757 11.5844 11.5850 12.6331 12.6350 12.9574 12.9588 13.3113 13.3127 k =-0.2639 0.1638 0.0000 ( 4312 PWs) bands (ev): -13.8140 -13.8139 -13.4712 -13.4709 -11.1394 -11.1392 -8.9892 -8.9884 -8.8721 -8.8694 -8.7175 -8.7130 -3.5660 -3.5638 -2.8565 -2.8527 -2.1941 -2.1898 -0.9045 -0.8994 -0.5060 -0.5009 -0.0320 -0.0312 0.3690 0.3693 0.7005 0.7016 1.8375 1.8381 2.4391 2.4421 2.4842 2.4858 2.6691 2.6709 3.0201 3.0212 3.4973 3.4981 3.5969 3.5977 4.5307 4.5311 4.9076 4.9082 5.3678 5.3679 11.5743 11.5801 11.6665 11.6672 12.6254 12.6270 12.9726 12.9740 13.2901 13.2914 k =-0.2778 0.1724 0.0000 ( 4312 PWs) bands (ev): -13.8014 -13.8013 -13.4718 -13.4714 -11.1694 -11.1692 -8.9875 -8.9868 -8.8703 -8.8676 -8.7175 -8.7129 -3.5743 -3.5721 -2.7829 -2.7789 -2.1531 -2.1487 -0.9263 -0.9210 -0.5439 -0.5385 -0.0604 -0.0595 0.4149 0.4152 0.6612 0.6624 1.8756 1.8764 2.4399 2.4432 2.5103 2.5125 2.6147 2.6168 2.9919 2.9933 3.4687 3.4696 3.5788 3.5797 4.5345 4.5348 4.9222 4.9228 5.3577 5.3578 11.5826 11.5884 11.7495 11.7502 12.6147 12.6160 12.9880 12.9894 13.2690 13.2702 k =-0.2917 0.1810 0.0000 ( 4318 PWs) bands (ev): -13.7888 -13.7887 -13.4723 -13.4720 -11.1989 -11.1988 -8.9861 -8.9853 -8.8681 -8.8653 -8.7179 -8.7133 -3.5815 -3.5794 -2.7073 -2.7031 -2.1127 -2.1081 -0.9491 -0.9435 -0.5812 -0.5756 -0.0889 -0.0879 0.4604 0.4607 0.6218 0.6230 1.9140 1.9151 2.4414 2.4450 2.5273 2.5306 2.5672 2.5703 2.9657 2.9673 3.4390 3.4400 3.5603 3.5612 4.5378 4.5381 4.9360 4.9367 5.3479 5.3481 11.5948 11.6006 11.8329 11.8337 12.6015 12.6026 13.0032 13.0046 13.2481 13.2491 k =-0.3056 0.1896 0.0000 ( 4306 PWs) bands (ev): -13.7762 -13.7761 -13.4729 -13.4726 -11.2278 -11.2277 -8.9847 -8.9840 -8.8655 -8.8627 -8.7188 -8.7142 -3.5878 -3.5858 -2.6301 -2.6257 -2.0731 -2.0682 -0.9729 -0.9670 -0.6177 -0.6117 -0.1174 -0.1162 0.5013 0.5017 0.5867 0.5877 1.9525 1.9538 2.4438 2.4476 2.5006 2.5015 2.5643 2.5648 2.9431 2.9449 3.4082 3.4094 3.5413 3.5422 4.5406 4.5408 4.9491 4.9498 5.3386 5.3387 11.6107 11.6164 11.9163 11.9172 12.5860 12.5870 13.0179 13.0192 13.2274 13.2284 k =-0.3194 0.1982 0.0000 ( 4308 PWs) bands (ev): -13.7639 -13.7638 -13.4734 -13.4731 -11.2558 -11.2557 -8.9835 -8.9828 -8.8626 -8.8597 -8.7202 -8.7156 -3.5931 -3.5911 -2.5514 -2.5468 -2.0344 -2.0294 -0.9979 -0.9918 -0.6531 -0.6468 -0.1455 -0.1442 0.5098 0.5109 0.5834 0.5839 1.9905 1.9921 2.4470 2.4509 2.4538 2.4539 2.5754 2.5759 2.9260 2.9280 3.3764 3.3777 3.5219 3.5228 4.5429 4.5431 4.9614 4.9621 5.3298 5.3299 11.6300 11.6356 11.9994 12.0002 12.5685 12.5693 13.0318 13.0330 13.2072 13.2081 k =-0.3333 0.2069 0.0000 ( 4306 PWs) bands (ev): -13.7518 -13.7517 -13.4739 -13.4736 -11.2827 -11.2826 -8.9823 -8.9817 -8.8593 -8.8564 -8.7220 -8.7174 -3.5975 -3.5957 -2.4716 -2.4668 -1.9968 -1.9916 -1.0242 -1.0179 -0.6871 -0.6806 -0.1731 -0.1718 0.4766 0.4779 0.6216 0.6218 2.0278 2.0296 2.4063 2.4065 2.4522 2.4565 2.5801 2.5809 2.9165 2.9186 3.3437 3.3450 3.5021 3.5030 4.5446 4.5448 4.9729 4.9736 5.3215 5.3216 11.6524 11.6579 12.0815 12.0824 12.5492 12.5498 13.0449 13.0459 13.1876 13.1884 k =-0.3472 0.2155 0.0000 ( 4306 PWs) bands (ev): -13.7401 -13.7401 -13.4744 -13.4741 -11.3083 -11.3083 -8.9814 -8.9808 -8.8556 -8.8527 -8.7242 -8.7197 -3.6012 -3.5994 -2.3910 -2.3860 -1.9605 -1.9553 -1.0523 -1.0457 -0.7195 -0.7129 -0.2000 -0.1986 0.4352 0.4365 0.6677 0.6679 2.0636 2.0658 2.3615 2.3617 2.4588 2.4633 2.5763 2.5770 2.9159 2.9179 3.3101 3.3115 3.4818 3.4827 4.5460 4.5461 4.9836 4.9843 5.3137 5.3138 11.6778 11.6830 12.1622 12.1632 12.5282 12.5286 13.0570 13.0577 13.1688 13.1695 k =-0.3611 0.2241 0.0000 ( 4314 PWs) bands (ev): -13.7290 -13.7289 -13.4749 -13.4746 -11.3325 -11.3325 -8.9805 -8.9800 -8.8517 -8.8488 -8.7268 -8.7224 -3.6041 -3.6025 -2.3098 -2.3046 -1.9259 -1.9207 -1.0822 -1.0754 -0.7501 -0.7434 -0.2259 -0.2245 0.3926 0.3939 0.7149 0.7151 2.0975 2.0999 2.3192 2.3194 2.4676 2.4724 2.5641 2.5647 2.9239 2.9258 3.2758 3.2773 3.4610 3.4619 4.5469 4.5470 4.9934 4.9940 5.3066 5.3067 11.7056 11.7107 12.2409 12.2420 12.5056 12.5058 13.0679 13.0684 13.1511 13.1517 k =-0.3750 0.2327 0.0000 ( 4304 PWs) bands (ev): -13.7184 -13.7184 -13.4753 -13.4750 -11.3551 -11.3550 -8.9797 -8.9793 -8.8476 -8.8447 -8.7297 -8.7254 -3.6064 -3.6049 -2.2284 -2.2230 -1.8931 -1.8879 -1.1143 -1.1074 -0.7786 -0.7719 -0.2505 -0.2491 0.3505 0.3519 0.7616 0.7618 2.1288 2.1314 2.2797 2.2799 2.4789 2.4839 2.5455 2.5459 2.9390 2.9407 3.2410 3.2426 3.4398 3.4407 4.5475 4.5476 5.0023 5.0029 5.3000 5.3001 11.7355 11.7404 12.3171 12.3182 12.4816 12.4816 13.0776 13.0778 13.1347 13.1355 k =-0.3889 0.2413 0.0000 ( 4308 PWs) bands (ev): -13.7086 -13.7086 -13.4757 -13.4754 -11.3758 -11.3757 -8.9791 -8.9786 -8.8433 -8.8404 -8.7328 -8.7287 -3.6082 -3.6068 -2.1471 -2.1415 -1.8624 -1.8574 -1.1489 -1.1418 -0.8048 -0.7983 -0.2737 -0.2723 0.3100 0.3113 0.8069 0.8071 2.1568 2.1595 2.2432 2.2433 2.4931 2.4983 2.5228 2.5231 2.9590 2.9606 3.2060 3.2076 3.4182 3.4191 4.5477 4.5478 5.0103 5.0109 5.2942 5.2943 11.7670 11.7717 12.3900 12.3911 12.4561 12.4563 13.0854 13.0856 13.1204 13.1213 k =-0.4028 0.2499 0.0000 ( 4304 PWs) bands (ev): -13.6997 -13.6997 -13.4760 -13.4758 -11.3945 -11.3944 -8.9785 -8.9781 -8.8388 -8.8360 -8.7362 -8.7323 -3.6094 -3.6082 -2.0664 -2.0606 -1.8342 -1.8294 -1.1864 -1.1791 -0.8285 -0.8223 -0.2950 -0.2937 0.2718 0.2731 0.8501 0.8502 2.1810 2.1838 2.2097 2.2099 2.4981 2.4982 2.5108 2.5156 2.9823 2.9837 3.1710 3.1728 3.3963 3.3972 4.5478 4.5479 5.0175 5.0180 5.2890 5.2890 11.7997 11.8040 12.4295 12.4297 12.4590 12.4599 13.0896 13.0906 13.1099 13.1113 k =-0.4167 0.2586 0.0000 ( 4302 PWs) bands (ev): -13.6917 -13.6917 -13.4763 -13.4761 -11.4110 -11.4110 -8.9781 -8.9777 -8.8344 -8.8317 -8.7396 -8.7359 -3.6103 -3.6093 -1.9865 -1.9805 -1.8087 -1.8043 -1.2270 -1.2196 -0.8494 -0.8437 -0.3143 -0.3130 0.2368 0.2380 0.8903 0.8905 2.1793 2.1795 2.2017 2.2041 2.4737 2.4737 2.5306 2.5354 3.0074 3.0087 3.1367 3.1385 3.3741 3.3750 4.5477 4.5477 5.0237 5.0241 5.2844 5.2845 11.8328 11.8368 12.4023 12.4028 12.5225 12.5235 13.0870 13.0880 13.1077 13.1091 k =-0.4306 0.2672 0.0000 ( 4302 PWs) bands (ev): -13.6848 -13.6847 -13.4765 -13.4764 -11.4253 -11.4253 -8.9777 -8.9774 -8.8301 -8.8276 -8.7430 -8.7396 -3.6110 -3.6100 -1.9079 -1.9017 -1.7863 -1.7824 -1.2710 -1.2636 -0.8675 -0.8623 -0.3312 -0.3300 0.2057 0.2067 0.9267 0.9268 2.1528 2.1528 2.2180 2.2202 2.4506 2.4508 2.5526 2.5570 3.0330 3.0342 3.1036 3.1054 3.3520 3.3528 4.5474 4.5475 5.0289 5.0293 5.2806 5.2806 11.8656 11.8692 12.3751 12.3757 12.5798 12.5808 13.0803 13.0810 13.1112 13.1121 k =-0.4444 0.2758 0.0000 ( 4302 PWs) bands (ev): -13.6790 -13.6789 -13.4768 -13.4766 -11.4371 -11.4371 -8.9773 -8.9771 -8.8261 -8.8238 -8.7461 -8.7432 -3.6113 -3.6106 -1.8310 -1.8245 -1.7673 -1.7640 -1.3187 -1.3112 -0.8824 -0.8780 -0.3454 -0.3444 0.1791 0.1801 0.9584 0.9585 2.1299 2.1300 2.2307 2.2326 2.4303 2.4305 2.5754 2.5793 3.0581 3.0593 3.0728 3.0747 3.3303 3.3311 4.5472 4.5472 5.0333 5.0336 5.2774 5.2775 11.8969 11.9001 12.3487 12.3494 12.6296 12.6305 13.0743 13.0748 13.1151 13.1157 k =-0.4583 0.2844 0.0000 ( 4320 PWs) bands (ev): -13.6744 -13.6744 -13.4769 -13.4768 -11.4465 -11.4465 -8.9771 -8.9769 -8.8225 -8.8206 -8.7488 -8.7464 -3.6115 -3.6110 -1.7562 -1.7521 -1.7494 -1.7494 -1.3701 -1.3626 -0.8940 -0.8906 -0.3567 -0.3560 0.1579 0.1586 0.9844 0.9844 2.1114 2.1115 2.2401 2.2416 2.4137 2.4138 2.5972 2.6004 3.0455 3.0469 3.0822 3.0830 3.3097 3.3105 4.5469 4.5469 5.0367 5.0369 5.2750 5.2750 11.9253 11.9279 12.3244 12.3252 12.6702 12.6710 13.0700 13.0704 13.1185 13.1189 k =-0.4722 0.2930 0.0000 ( 4312 PWs) bands (ev): -13.6711 -13.6710 -13.4770 -13.4770 -11.4532 -11.4532 -8.9769 -8.9768 -8.8195 -8.8181 -8.7509 -8.7492 -3.6116 -3.6112 -1.7408 -1.7389 -1.6839 -1.6770 -1.4253 -1.4179 -0.9023 -0.8999 -0.3650 -0.3644 0.1423 0.1428 1.0037 1.0038 2.0977 2.0978 2.2465 2.2475 2.4013 2.4014 2.6158 2.6180 3.0237 3.0248 3.1027 3.1033 3.2918 3.2924 4.5467 4.5467 5.0391 5.0393 5.2732 5.2732 11.9487 11.9506 12.3043 12.3049 12.7004 12.7010 13.0676 13.0679 13.1210 13.1212 k =-0.4861 0.3017 0.0000 ( 4316 PWs) bands (ev): -13.6690 -13.6690 -13.4771 -13.4771 -11.4573 -11.4572 -8.9768 -8.9767 -8.8174 -8.8167 -8.7520 -8.7511 -3.6116 -3.6114 -1.7337 -1.7328 -1.6146 -1.6076 -1.4842 -1.4769 -0.9070 -0.9058 -0.3699 -0.3696 0.1329 0.1331 1.0157 1.0157 2.0893 2.0893 2.2504 2.2509 2.3937 2.3938 2.6286 2.6298 3.0095 3.0101 3.1174 3.1178 3.2788 3.2791 4.5465 4.5465 5.0406 5.0407 5.2722 5.2722 11.9647 11.9657 12.2906 12.2910 12.7191 12.7194 13.0665 13.0667 13.1225 13.1226 k =-0.5000 0.3103 0.0000 ( 4310 PWs) bands (ev): -13.6684 -13.6684 -13.4771 -13.4771 -11.4586 -11.4586 -8.9767 -8.9767 -8.8165 -8.8165 -8.7521 -8.7521 -3.6115 -3.6115 -1.7310 -1.7310 -1.5538 -1.5538 -1.5344 -1.5344 -0.9081 -0.9081 -0.3715 -0.3715 0.1298 0.1298 1.0198 1.0198 2.0864 2.0864 2.2518 2.2518 2.3912 2.3912 2.6336 2.6336 3.0047 3.0047 3.1230 3.1230 3.2740 3.2740 4.5465 4.5465 5.0411 5.0411 5.2718 5.2718 11.9707 11.9707 12.2859 12.2859 12.7255 12.7255 13.0663 13.0663 13.1231 13.1231 k =-0.5000 0.3103 0.0000 ( 4310 PWs) bands (ev): -13.6684 -13.6684 -13.4771 -13.4771 -11.4586 -11.4586 -8.9767 -8.9767 -8.8165 -8.8165 -8.7521 -8.7521 -3.6115 -3.6115 -1.7310 -1.7310 -1.5538 -1.5538 -1.5344 -1.5344 -0.9081 -0.9081 -0.3715 -0.3715 0.1298 0.1298 1.0198 1.0198 2.0864 2.0864 2.2518 2.2518 2.3912 2.3912 2.6336 2.6336 3.0047 3.0047 3.1230 3.1230 3.2740 3.2740 4.5465 4.5465 5.0411 5.0411 5.2718 5.2718 11.9707 11.9707 12.2859 12.2859 12.7255 12.7255 13.0663 13.0663 13.1231 13.1231 k =-0.4915 0.3240-0.0000 ( 4314 PWs) bands (ev): -13.6685 -13.6685 -13.4772 -13.4772 -11.4577 -11.4577 -8.9855 -8.9838 -8.8161 -8.8158 -8.7468 -8.7446 -3.6113 -3.6112 -1.7364 -1.7358 -1.5453 -1.5451 -1.5344 -1.5343 -0.9091 -0.9089 -0.3813 -0.3784 0.1357 0.1388 1.0192 1.0196 2.0843 2.0856 2.2492 2.2542 2.3921 2.3959 2.6314 2.6323 3.0057 3.0059 3.1212 3.1222 3.2739 3.2740 4.5473 4.5477 5.0380 5.0387 5.2705 5.2712 11.9720 11.9722 12.2868 12.2869 12.7292 12.7296 13.0289 13.0452 13.1472 13.1634 k =-0.4829 0.3378-0.0000 ( 4318 PWs) bands (ev): -13.6688 -13.6688 -13.4773 -13.4773 -11.4548 -11.4548 -9.0076 -9.0046 -8.8146 -8.8140 -8.7307 -8.7269 -3.6105 -3.6104 -1.7491 -1.7481 -1.5381 -1.5379 -1.5187 -1.5183 -0.9119 -0.9114 -0.4062 -0.4009 0.1553 0.1611 1.0180 1.0187 2.0795 2.0820 2.2469 2.2559 2.3986 2.4055 2.6257 2.6276 3.0089 3.0093 3.1166 3.1188 3.2737 3.2739 4.5501 4.5509 5.0294 5.0307 5.2674 5.2688 11.9759 11.9763 12.2897 12.2897 12.7408 12.7415 12.9835 13.0014 13.2002 13.2176 k =-0.4744 0.3516-0.0000 ( 4320 PWs) bands (ev): -13.6694 -13.6694 -13.4776 -13.4776 -11.4501 -11.4501 -9.0386 -9.0350 -8.8120 -8.8111 -8.7081 -8.7032 -3.6092 -3.6090 -1.7646 -1.7632 -1.5405 -1.5404 -1.4836 -1.4828 -0.9163 -0.9156 -0.4428 -0.4358 0.1856 0.1934 1.0159 1.0170 2.0727 2.0759 2.2451 2.2567 2.4104 2.4194 2.6166 2.6194 3.0143 3.0149 3.1095 3.1127 3.2735 3.2737 4.5549 4.5561 5.0155 5.0174 5.2625 5.2644 11.9826 11.9831 12.2944 12.2945 12.7599 12.7608 12.9400 12.9585 13.2585 13.2761 k =-0.4658 0.3653-0.0000 ( 4308 PWs) bands (ev): -13.6702 -13.6702 -13.4780 -13.4780 -11.4435 -11.4435 -9.0753 -9.0714 -8.8084 -8.8072 -8.6825 -8.6769 -3.6074 -3.6072 -1.7796 -1.7778 -1.5445 -1.5443 -1.4406 -1.4393 -0.9225 -0.9215 -0.4880 -0.4798 0.2231 0.2323 1.0131 1.0145 2.0645 2.0681 2.2439 2.2567 2.4268 2.4369 2.6039 2.6076 3.0219 3.0228 3.0998 3.1041 3.2732 3.2735 4.5617 4.5633 4.9966 4.9990 5.2556 5.2581 11.9919 11.9924 12.3010 12.3011 12.7860 12.7864 12.9001 12.9193 13.3200 13.3374 k =-0.4573 0.3791-0.0000 ( 4304 PWs) bands (ev): -13.6712 -13.6712 -13.4784 -13.4784 -11.4351 -11.4350 -9.1156 -9.1116 -8.8037 -8.8022 -8.6559 -8.6498 -3.6052 -3.6048 -1.7924 -1.7901 -1.5496 -1.5495 -1.3918 -1.3902 -0.9302 -0.9290 -0.5389 -0.5300 0.2651 0.2753 1.0094 1.0111 2.0556 2.0592 2.2431 2.2561 2.4468 2.4572 2.5877 2.5923 3.0317 3.0329 3.0877 3.0930 3.2729 3.2732 4.5704 4.5724 4.9732 4.9759 5.2467 5.2496 12.0037 12.0041 12.3095 12.3096 12.8143 12.8155 12.8675 12.8883 13.3841 13.4013 k =-0.4488 0.3929-0.0000 ( 4314 PWs) bands (ev): -13.6725 -13.6725 -13.4790 -13.4790 -11.4247 -11.4247 -9.1584 -9.1545 -8.7979 -8.7962 -8.6296 -8.6232 -3.6025 -3.6021 -1.8020 -1.7994 -1.5559 -1.5558 -1.3383 -1.3363 -0.9394 -0.9379 -0.5938 -0.5844 0.3097 0.3206 1.0047 1.0068 2.0465 2.0499 2.2426 2.2551 2.4698 2.4799 2.5680 2.5734 3.0436 3.0452 3.0733 3.0795 3.2726 3.2731 4.5810 4.5833 4.9455 4.9486 5.2359 5.2391 12.0179 12.0180 12.3197 12.3198 12.8168 12.8220 12.8736 12.8879 13.4504 13.4673 k =-0.4402 0.4066-0.0000 ( 4308 PWs) bands (ev): -13.6741 -13.6740 -13.4796 -13.4796 -11.4125 -11.4124 -9.2031 -9.1991 -8.7911 -8.7891 -8.6044 -8.5976 -3.5994 -3.5989 -1.8079 -1.8050 -1.5634 -1.5632 -1.2809 -1.2784 -0.9500 -0.9483 -0.6514 -0.6417 0.3556 0.3670 0.9990 1.0014 2.0378 2.0409 2.2423 2.2538 2.4948 2.5044 2.5446 2.5509 3.0564 3.0581 3.0595 3.0642 3.2724 3.2731 4.5934 4.5961 4.9141 4.9174 5.2231 5.2266 12.0339 12.0342 12.3315 12.3317 12.7909 12.8009 12.9174 12.9265 13.5186 13.5351 k =-0.4317 0.4204-0.0000 ( 4316 PWs) bands (ev): -13.6759 -13.6758 -13.4803 -13.4803 -11.3984 -11.3983 -9.2490 -9.2452 -8.7834 -8.7811 -8.5805 -8.5734 -3.5960 -3.5955 -1.8100 -1.8067 -1.5719 -1.5717 -1.2199 -1.2171 -0.9619 -0.9599 -0.7106 -0.7009 0.4019 0.4136 0.9921 0.9948 2.0297 2.0325 2.2422 2.2525 2.5175 2.5196 2.5264 2.5302 3.0381 3.0462 3.0740 3.0766 3.2724 3.2733 4.6075 4.6105 4.8793 4.8827 5.2084 5.2121 12.0514 12.0523 12.3450 12.3452 12.7656 12.7764 12.9709 12.9786 13.5866 13.5893 k =-0.4231 0.4341-0.0000 ( 4316 PWs) bands (ev): -13.6780 -13.6779 -13.4810 -13.4810 -11.3825 -11.3824 -9.2958 -9.2922 -8.7746 -8.7720 -8.5583 -8.5510 -3.5923 -3.5917 -1.8081 -1.8045 -1.5816 -1.5814 -1.1560 -1.1527 -0.9749 -0.9727 -0.7707 -0.7610 0.4479 0.4599 0.9839 0.9869 2.0227 2.0251 2.2422 2.2512 2.4868 2.4942 2.5495 2.5569 3.0178 3.0267 3.0923 3.0956 3.2727 3.2739 4.6233 4.6267 4.8417 4.8452 5.1920 5.1957 12.0702 12.0718 12.3601 12.3603 12.7443 12.7547 13.0307 13.0380 13.5570 13.5592 k =-0.4146 0.4479-0.0000 ( 4320 PWs) bands (ev): -13.6804 -13.6803 -13.4817 -13.4817 -11.3647 -11.3646 -9.3434 -9.3399 -8.7649 -8.7621 -8.5380 -8.5305 -3.5884 -3.5878 -1.8022 -1.7983 -1.5924 -1.5921 -1.0899 -1.0859 -0.9890 -0.9864 -0.8307 -0.8212 0.4933 0.5055 0.9744 0.9776 2.0170 2.0190 2.2423 2.2500 2.4525 2.4605 2.5776 2.5841 2.9959 3.0056 3.1126 3.1168 3.2734 3.2751 4.6406 4.6443 4.8015 4.8050 5.1739 5.1777 12.0896 12.0921 12.3765 12.3767 12.7277 12.7372 13.0961 13.1032 13.5158 13.5182 k =-0.4061 0.4617-0.0000 ( 4316 PWs) bands (ev): -13.6831 -13.6830 -13.4825 -13.4825 -11.3451 -11.3450 -9.3915 -9.3881 -8.7543 -8.7512 -8.5197 -8.5120 -3.5845 -3.5838 -1.7924 -1.7882 -1.6043 -1.6039 -1.0242 -1.0189 -1.0037 -1.0010 -0.8879 -0.8792 0.5379 0.5502 0.9632 0.9667 2.0129 2.0145 2.2425 2.2490 2.4144 2.4230 2.6061 2.6115 2.9726 2.9830 3.1346 3.1401 3.2747 3.2772 4.6594 4.6635 4.7592 4.7628 5.1543 5.1581 12.1090 12.1127 12.3942 12.3944 12.7166 12.7248 13.1663 13.1733 13.4678 13.4702 k =-0.3975 0.4754-0.0000 ( 4318 PWs) bands (ev): -13.6861 -13.6860 -13.4832 -13.4832 -11.3236 -11.3235 -9.4399 -9.4367 -8.7428 -8.7394 -8.5034 -8.4956 -3.5805 -3.5798 -1.7789 -1.7745 -1.6172 -1.6169 -1.0195 -1.0162 -0.9850 -0.9752 -0.9155 -0.9113 0.5813 0.5937 0.9505 0.9542 2.0105 2.0118 2.2430 2.2482 2.3728 2.3818 2.6344 2.6387 2.9481 2.9591 3.1581 3.1653 3.2771 3.2806 4.6796 4.6840 4.7152 4.7188 5.1334 5.1371 12.1277 12.1327 12.4129 12.4132 12.7116 12.7184 13.2407 13.2478 13.4156 13.4180 k =-0.3890 0.4892-0.0000 ( 4312 PWs) bands (ev): -13.6895 -13.6894 -13.4839 -13.4839 -11.3004 -11.3003 -9.4884 -9.4853 -8.7305 -8.7268 -8.4892 -8.4813 -3.5766 -3.5759 -1.7620 -1.7574 -1.6312 -1.6308 -1.0359 -1.0318 -1.0260 -1.0157 -0.8599 -0.8562 0.6235 0.6360 0.9360 0.9398 2.0100 2.0110 2.2436 2.2477 2.3276 2.3370 2.6622 2.6653 2.9225 2.9341 3.1824 3.1918 3.2810 3.2861 4.6699 4.6731 4.7013 4.7057 5.1113 5.1150 12.1450 12.1515 12.4326 12.4329 12.7134 12.7185 13.3189 13.3260 13.3610 13.3633 k =-0.3804 0.5030-0.0000 ( 4308 PWs) bands (ev): -13.6931 -13.6931 -13.4846 -13.4846 -11.2754 -11.2752 -9.5369 -9.5340 -8.7174 -8.7135 -8.4772 -8.4691 -3.5730 -3.5721 -1.7421 -1.7373 -1.6463 -1.6459 -1.0835 -1.0725 -1.0512 -1.0477 -0.7861 -0.7818 0.6644 0.6769 0.9196 0.9236 2.0115 2.0123 2.2445 2.2475 2.2790 2.2886 2.6892 2.6911 2.8962 2.9082 3.2061 3.2186 3.2877 3.2952 4.6235 4.6267 4.7238 4.7286 5.0883 5.0919 12.1602 12.1682 12.4530 12.4533 12.7225 12.7258 13.3045 13.3067 13.4006 13.4077 k =-0.3719 0.5167-0.0000 ( 4312 PWs) bands (ev): -13.6972 -13.6971 -13.4852 -13.4852 -11.2485 -11.2484 -9.5853 -9.5826 -8.7036 -8.6994 -8.4672 -8.4590 -3.5696 -3.5687 -1.7199 -1.7150 -1.6625 -1.6620 -1.1401 -1.1294 -1.0675 -1.0636 -0.7085 -0.7037 0.7040 0.7166 0.9013 0.9055 2.0152 2.0157 2.2265 2.2367 2.2461 2.2478 2.7151 2.7158 2.8692 2.8816 3.2273 3.2428 3.3000 3.3097 4.5763 4.5795 4.7474 4.7524 5.0646 5.0681 12.1729 12.1823 12.4739 12.4742 12.7392 12.7408 13.2469 13.2490 13.4848 13.4920 k =-0.3634 0.5305-0.0000 ( 4318 PWs) bands (ev): -13.7016 -13.7015 -13.4857 -13.4857 -11.2199 -11.2197 -9.6335 -9.6309 -8.6891 -8.6846 -8.4592 -8.4510 -3.5666 -3.5657 -1.6965 -1.6914 -1.6796 -1.6793 -1.1947 -1.1839 -1.0836 -1.0794 -0.6287 -0.6235 0.7422 0.7549 0.8810 0.8853 2.0212 2.0215 2.1715 2.1816 2.2476 2.2484 2.7391 2.7397 2.8416 2.8543 3.2445 3.2609 3.3216 3.3315 4.5288 4.5318 4.7720 4.7772 5.0402 5.0436 12.1828 12.1935 12.4949 12.4952 12.7635 12.7636 13.1886 13.1905 13.5713 13.5785 k =-0.3548 0.5442-0.0000 ( 4314 PWs) bands (ev): -13.7063 -13.7062 -13.4862 -13.4862 -11.1896 -11.1894 -9.6813 -9.6788 -8.6740 -8.6692 -8.4533 -8.4450 -3.5642 -3.5632 -1.6985 -1.6976 -1.6730 -1.6683 -1.2450 -1.2342 -1.0992 -1.0946 -0.5474 -0.5418 0.7793 0.7919 0.8587 0.8631 2.0295 2.0297 2.1133 2.1235 2.2496 2.2496 2.7608 2.7626 2.8136 2.8266 3.2578 3.2732 3.3521 3.3602 4.4810 4.4839 4.7973 4.8028 5.0154 5.0187 12.1901 12.2017 12.5158 12.5159 12.7939 12.7952 13.1298 13.1315 13.6596 13.6669 k =-0.3463 0.5580-0.0000 ( 4316 PWs) bands (ev): -13.7114 -13.7113 -13.4866 -13.4866 -11.1576 -11.1573 -9.7287 -9.7263 -8.6583 -8.6533 -8.4492 -8.4409 -3.5624 -3.5614 -1.7179 -1.7171 -1.6533 -1.6487 -1.2882 -1.2772 -1.1141 -1.1092 -0.4649 -0.4589 0.8150 0.8272 0.8350 0.8390 2.0401 2.0404 2.0523 2.0626 2.2513 2.2521 2.7808 2.7828 2.7862 2.7984 3.2690 3.2832 3.3880 3.3942 4.4332 4.4359 4.8233 4.8289 4.9904 4.9936 12.1950 12.2074 12.5359 12.5359 12.8313 12.8338 13.0709 13.0723 13.7492 13.7564 k =-0.3463 0.5580-0.0000 ( 4316 PWs) bands (ev): -13.7114 -13.7113 -13.4866 -13.4866 -11.1576 -11.1573 -9.7287 -9.7263 -8.6583 -8.6533 -8.4492 -8.4409 -3.5624 -3.5614 -1.7179 -1.7171 -1.6533 -1.6487 -1.2882 -1.2772 -1.1141 -1.1092 -0.4649 -0.4589 0.8150 0.8272 0.8350 0.8390 2.0401 2.0404 2.0523 2.0626 2.2513 2.2521 2.7808 2.7828 2.7862 2.7984 3.2690 3.2832 3.3880 3.3942 4.4332 4.4359 4.8233 4.8289 4.9904 4.9936 12.1950 12.2074 12.5359 12.5359 12.8313 12.8338 13.0709 13.0723 13.7492 13.7564 k =-0.3463 0.5580 0.0163 ( 4312 PWs) bands (ev): -13.7112 -13.7111 -13.4867 -13.4866 -11.1566 -11.1563 -9.7282 -9.7258 -8.6607 -8.6557 -8.4501 -8.4419 -3.5601 -3.5591 -1.7184 -1.7176 -1.6630 -1.6583 -1.2759 -1.2650 -1.1124 -1.1076 -0.4686 -0.4627 0.8166 0.8287 0.8358 0.8396 2.0382 2.0384 2.0502 2.0604 2.2528 2.2536 2.7826 2.7834 2.7868 2.7977 3.2677 3.2816 3.3904 3.3964 4.4330 4.4357 4.8229 4.8285 4.9898 4.9929 12.1923 12.2047 12.5342 12.5342 12.8322 12.8345 13.0675 13.0689 13.7549 13.7606 k =-0.3463 0.5580 0.0326 ( 4308 PWs) bands (ev): -13.7107 -13.7106 -13.4869 -13.4869 -11.1537 -11.1534 -9.7265 -9.7241 -8.6678 -8.6628 -8.4529 -8.4446 -3.5530 -3.5521 -1.7200 -1.7191 -1.6889 -1.6840 -1.2424 -1.2318 -1.1073 -1.1025 -0.4795 -0.4737 0.8214 0.8329 0.8381 0.8417 2.0326 2.0329 2.0439 2.0539 2.2571 2.2579 2.7821 2.7880 2.7913 2.7954 3.2640 3.2772 3.3972 3.4025 4.4323 4.4350 4.8217 4.8273 4.9879 4.9910 12.1846 12.1969 12.5291 12.5291 12.8348 12.8368 13.0571 13.0585 13.7554 13.7555 k =-0.3463 0.5580 0.0489 ( 4317 PWs) bands (ev): -13.7099 -13.7098 -13.4874 -13.4874 -11.1488 -11.1486 -9.7237 -9.7213 -8.6796 -8.6747 -8.4575 -8.4493 -3.5415 -3.5406 -1.7260 -1.7216 -1.7211 -1.7195 -1.1941 -1.1837 -1.0989 -1.0941 -0.4974 -0.4918 0.8291 0.8386 0.8431 0.8450 2.0239 2.0242 2.0334 2.0430 2.2639 2.2647 2.7788 2.7913 2.7970 2.7999 3.2586 3.2709 3.4074 3.4119 4.4312 4.4339 4.8198 4.8253 4.9847 4.9878 12.1723 12.1844 12.5207 12.5208 12.8392 12.8407 13.0397 13.0412 13.7472 13.7475 k =-0.3463 0.5580 0.0652 ( 4316 PWs) bands (ev): -13.7088 -13.7087 -13.4881 -13.4881 -11.1421 -11.1418 -9.7197 -9.7174 -8.6960 -8.6912 -8.4638 -8.4557 -3.5254 -3.5246 -1.7652 -1.7599 -1.7256 -1.7250 -1.1363 -1.1259 -1.0869 -1.0823 -0.5217 -0.5165 0.8391 0.8442 0.8498 0.8518 2.0127 2.0130 2.0191 2.0281 2.2725 2.2734 2.7738 2.7857 2.8089 2.8120 3.2521 3.2637 3.4202 3.4240 4.4297 4.4323 4.8169 4.8225 4.9803 4.9833 12.1564 12.1684 12.5093 12.5094 12.8454 12.8462 13.0154 13.0169 13.7377 13.7381 k =-0.3463 0.5580 0.0815 ( 4318 PWs) bands (ev): -13.7074 -13.7073 -13.4889 -13.4889 -11.1333 -11.1331 -9.7147 -9.7124 -8.7169 -8.7121 -8.4720 -8.4640 -3.5051 -3.5044 -1.8071 -1.8018 -1.7302 -1.7295 -1.0750 -1.0686 -1.0671 -1.0616 -0.5519 -0.5471 0.8504 0.8506 0.8563 0.8630 1.9990 1.9998 2.0020 2.0092 2.2825 2.2834 2.7670 2.7783 2.8240 2.8270 3.2451 3.2561 3.4349 3.4381 4.4277 4.4303 4.8133 4.8188 4.9745 4.9776 12.1380 12.1497 12.4950 12.4951 12.8532 12.8533 12.9844 12.9859 13.7279 13.7284 k =-0.3463 0.5580 0.0978 ( 4320 PWs) bands (ev): -13.7057 -13.7056 -13.4899 -13.4899 -11.1227 -11.1225 -9.7085 -9.7062 -8.7420 -8.7373 -8.4819 -8.4740 -3.4808 -3.4801 -1.8487 -1.8435 -1.7357 -1.7351 -1.0534 -1.0484 -1.0027 -0.9928 -0.5874 -0.5829 0.8577 0.8614 0.8661 0.8755 1.9780 1.9845 1.9872 1.9879 2.2935 2.2945 2.7584 2.7689 2.8417 2.8448 3.2382 3.2486 3.4510 3.4538 4.4254 4.4279 4.8087 4.8141 4.9675 4.9705 12.1181 12.1297 12.4781 12.4782 12.8619 12.8625 12.9476 12.9491 13.7185 13.7190 k =-0.3463 0.5580 0.1142 ( 4332 PWs) bands (ev): -13.7037 -13.7036 -13.4912 -13.4912 -11.1102 -11.1100 -9.7012 -9.6990 -8.7711 -8.7665 -8.4935 -8.4857 -3.4527 -3.4521 -1.8891 -1.8839 -1.7424 -1.7417 -1.0311 -1.0263 -0.9306 -0.9207 -0.6274 -0.6233 0.8664 0.8708 0.8793 0.8887 1.9527 1.9597 1.9720 1.9728 2.3051 2.3062 2.7478 2.7574 2.8618 2.8649 3.2315 3.2415 3.4682 3.4707 4.4228 4.4252 4.8031 4.8085 4.9591 4.9621 12.0978 12.1093 12.4584 12.4586 12.8720 12.8734 12.9063 12.9077 13.7097 13.7103 k =-0.3463 0.5580 0.1305 ( 4332 PWs) bands (ev): -13.7014 -13.7013 -13.4926 -13.4926 -11.0957 -11.0955 -9.6928 -9.6907 -8.8041 -8.7996 -8.5068 -8.4991 -3.4211 -3.4206 -1.9275 -1.9224 -1.7500 -1.7494 -1.0053 -1.0007 -0.8561 -0.8461 -0.6712 -0.6676 0.8763 0.8810 0.8931 0.9020 1.9240 1.9303 1.9574 1.9584 2.3171 2.3183 2.7350 2.7436 2.8837 2.8870 3.2255 3.2351 3.4863 3.4887 4.4199 4.4223 4.7966 4.8019 4.9495 4.9524 12.0782 12.0896 12.4361 12.4363 12.8617 12.8630 12.8842 12.8862 13.7013 13.7019 k =-0.3463 0.5580 0.1468 ( 4324 PWs) bands (ev): -13.6988 -13.6987 -13.4942 -13.4942 -11.0793 -11.0792 -9.6833 -9.6812 -8.8407 -8.8363 -8.5217 -8.5142 -3.3863 -3.3860 -1.9635 -1.9586 -1.7588 -1.7582 -0.9761 -0.9716 -0.7801 -0.7704 -0.7178 -0.7144 0.8875 0.8924 0.9067 0.9149 1.8922 1.8977 1.9432 1.9444 2.3294 2.3307 2.7198 2.7273 2.9071 2.9105 3.2203 3.2296 3.5052 3.5074 4.4169 4.4191 4.7890 4.7942 4.9386 4.9414 12.0601 12.0715 12.4107 12.4110 12.8168 12.8181 12.8971 12.8999 13.6929 13.6935 k =-0.3463 0.5580 0.1631 ( 4322 PWs) bands (ev): -13.6959 -13.6958 -13.4960 -13.4960 -11.0611 -11.0610 -9.6727 -9.6707 -8.8806 -8.8763 -8.5381 -8.5308 -3.3487 -3.3485 -1.9969 -1.9922 -1.7687 -1.7681 -0.9434 -0.9390 -0.7698 -0.7671 -0.7001 -0.6900 0.9001 0.9051 0.9194 0.9269 1.8577 1.8624 1.9298 1.9312 2.3418 2.3432 2.7021 2.7085 2.9314 2.9349 3.2161 3.2252 3.5247 3.5269 4.4137 4.4158 4.7802 4.7853 4.9264 4.9291 12.0444 12.0558 12.3819 12.3822 12.7732 12.7744 12.9116 12.9151 13.6838 13.6843 k =-0.3463 0.5580 0.1794 ( 4322 PWs) bands (ev): -13.6928 -13.6927 -13.4979 -13.4979 -11.0410 -11.0409 -9.6610 -9.6591 -8.9235 -8.9194 -8.5561 -8.5490 -3.3086 -3.3085 -2.0275 -2.0230 -1.7798 -1.7791 -0.9071 -0.9029 -0.8214 -0.8191 -0.6216 -0.6115 0.9140 0.9190 0.9309 0.9377 1.8207 1.8245 1.9175 1.9191 2.3542 2.3557 2.6817 2.6870 2.9561 2.9597 3.2132 3.2221 3.5447 3.5469 4.4104 4.4125 4.7703 4.7753 4.9129 4.9155 12.0316 12.0430 12.3493 12.3498 12.7330 12.7341 12.9272 12.9314 13.6733 13.6738 k =-0.3463 0.5580 0.1957 ( 4335 PWs) bands (ev): -13.6894 -13.6893 -13.5001 -13.5001 -11.0190 -11.0189 -9.6483 -9.6464 -8.9692 -8.9653 -8.5755 -8.5686 -3.2663 -3.2663 -2.0551 -2.0508 -1.7920 -1.7914 -0.8762 -0.8735 -0.8664 -0.8631 -0.5420 -0.5319 0.9292 0.9342 0.9412 0.9469 1.7813 1.7843 1.9065 1.9084 2.3663 2.3680 2.6585 2.6627 2.9804 2.9840 3.2121 3.2207 3.5653 3.5675 4.4072 4.4092 4.7590 4.7639 4.8983 4.9008 12.0222 12.0337 12.3130 12.3135 12.6978 12.6988 12.9439 12.9486 13.6608 13.6613 k =-0.3463 0.5580 0.2120 ( 4329 PWs) bands (ev): -13.6858 -13.6857 -13.5025 -13.5025 -10.9951 -10.9951 -9.6344 -9.6327 -9.0175 -9.0136 -8.5962 -8.5895 -3.2224 -3.2222 -2.0797 -2.0757 -1.8054 -1.8048 -0.9307 -0.9290 -0.8239 -0.8202 -0.4621 -0.4520 0.9455 0.9478 0.9525 0.9547 1.7397 1.7420 1.8972 1.8994 2.3781 2.3800 2.6324 2.6355 3.0036 3.0073 3.2130 3.2213 3.5864 3.5887 4.4041 4.4060 4.7465 4.7513 4.8825 4.8849 12.0167 12.0282 12.2733 12.2739 12.6687 12.6696 12.9613 12.9667 13.6456 13.6460 k =-0.3463 0.5580 0.2283 ( 4331 PWs) bands (ev): -13.6820 -13.6819 -13.5050 -13.5050 -10.9695 -10.9695 -9.6196 -9.6179 -9.0680 -9.0643 -8.6182 -8.6118 -3.1769 -3.1766 -2.1012 -2.0974 -1.8199 -1.8193 -0.9870 -0.9855 -0.7773 -0.7738 -0.3823 -0.3722 0.9549 0.9591 0.9646 0.9698 1.6963 1.6977 1.8899 1.8924 2.3894 2.3914 2.6034 2.6053 3.0251 3.0287 3.2164 3.2242 3.6080 3.6104 4.4012 4.4031 4.7326 4.7372 4.8657 4.8679 12.0153 12.0269 12.2311 12.2319 12.6460 12.6469 12.9792 12.9852 13.6271 13.6275 k =-0.3463 0.5580 0.2446 ( 4327 PWs) bands (ev): -13.6779 -13.6778 -13.5077 -13.5077 -10.9420 -10.9420 -9.6036 -9.6020 -9.1205 -9.1169 -8.6415 -8.6352 -3.1303 -3.1299 -2.1195 -2.1160 -1.8356 -1.8351 -1.0438 -1.0426 -0.7272 -0.7240 -0.3030 -0.2930 0.9594 0.9634 0.9832 0.9891 1.6511 1.6518 1.8848 1.8875 2.3999 2.4021 2.5715 2.5722 3.0441 3.0475 3.2225 3.2298 3.6302 3.6327 4.3986 4.4005 4.7172 4.7217 4.8478 4.8499 12.0183 12.0299 12.1879 12.1888 12.6294 12.6302 12.9972 13.0038 13.6046 13.6051 k =-0.3463 0.5580 0.2609 ( 4331 PWs) bands (ev): -13.6736 -13.6735 -13.5106 -13.5106 -10.9127 -10.9127 -9.5867 -9.5852 -9.1747 -9.1713 -8.6658 -8.6598 -3.0828 -3.0823 -2.1347 -2.1314 -1.8525 -1.8520 -1.1011 -1.1001 -0.6739 -0.6710 -0.2246 -0.2146 0.9618 0.9652 1.0035 1.0096 1.6045 1.6045 1.8822 1.8852 2.4094 2.4119 2.5362 2.5365 3.0603 3.0632 3.2315 3.2379 3.6531 3.6556 4.3965 4.3983 4.7003 4.7047 4.8291 4.8311 12.0257 12.0374 12.1450 12.1462 12.6184 12.6192 13.0148 13.0221 13.5774 13.5780 k =-0.3463 0.5580 0.2772 ( 4327 PWs) bands (ev): -13.6692 -13.6691 -13.5137 -13.5137 -10.8817 -10.8816 -9.5687 -9.5674 -9.2304 -9.2271 -8.6912 -8.6854 -3.0347 -3.0341 -2.1468 -2.1437 -1.8706 -1.8701 -1.1583 -1.1576 -0.6175 -0.6148 -0.1474 -0.1374 0.9621 0.9649 1.0251 1.0313 1.5558 1.5565 1.8822 1.8855 2.4177 2.4204 2.4972 2.4987 3.0735 3.0760 3.2429 3.2483 3.6768 3.6794 4.3949 4.3967 4.6819 4.6862 4.8097 4.8114 12.0376 12.0493 12.1039 12.1053 12.6124 12.6131 13.0315 13.0395 13.5447 13.5455 k =-0.3463 0.5580 0.2935 ( 4327 PWs) bands (ev): -13.6645 -13.6644 -13.5170 -13.5170 -10.8490 -10.8488 -9.5497 -9.5485 -9.2873 -9.2842 -8.7175 -8.7120 -2.9862 -2.9856 -2.1556 -2.1528 -1.8899 -1.8895 -1.2154 -1.2148 -0.5580 -0.5557 -0.0717 -0.0619 0.9604 0.9625 1.0476 1.0540 1.5063 1.5075 1.8852 1.8888 2.4246 2.4274 2.4555 2.4581 3.0842 3.0862 3.2558 3.2602 3.7015 3.7041 4.3939 4.3957 4.6620 4.6661 4.7896 4.7911 12.0538 12.0642 12.0659 12.0689 12.6105 12.6113 13.0466 13.0552 13.5055 13.5066 k =-0.3463 0.5580 0.3098 ( 4323 PWs) bands (ev): -13.6597 -13.6596 -13.5205 -13.5204 -10.8145 -10.8142 -9.5298 -9.5287 -9.3453 -9.3424 -8.7447 -8.7395 -2.9376 -2.9369 -2.1614 -2.1587 -1.9104 -1.9100 -1.2721 -1.2717 -0.4956 -0.4937 0.0019 0.0117 0.9567 0.9582 1.0707 1.0772 1.4564 1.4581 1.8911 1.8950 2.4107 2.4144 2.4300 2.4332 3.0931 3.0946 3.2692 3.2726 3.7273 3.7300 4.3937 4.3954 4.6405 4.6445 4.7689 4.7703 12.0319 12.0336 12.0747 12.0866 12.6123 12.6131 13.0592 13.0684 13.4589 13.4605 k =-0.3463 0.5580 0.3261 ( 4326 PWs) bands (ev): -13.6548 -13.6547 -13.5241 -13.5241 -10.7783 -10.7780 -9.5089 -9.5080 -9.4042 -9.4014 -8.7727 -8.7677 -2.8891 -2.8884 -2.1640 -2.1616 -1.9321 -1.9317 -1.3282 -1.3279 -0.4306 -0.4291 0.0733 0.0829 0.9511 0.9520 1.0937 1.1001 1.4071 1.4089 1.9002 1.9043 2.3638 2.3685 2.4331 2.4365 3.1008 3.1020 3.2820 3.2844 3.7543 3.7570 4.3942 4.3959 4.6174 4.6213 4.7479 4.7491 12.0029 12.0050 12.0997 12.1115 12.6168 12.6177 13.0683 13.0781 13.4044 13.4066 k =-0.3463 0.5580 0.3425 ( 4322 PWs) bands (ev): -13.6497 -13.6496 -13.5279 -13.5279 -10.7404 -10.7401 -9.4872 -9.4863 -9.4636 -9.4609 -8.8013 -8.7967 -2.8408 -2.8401 -2.1635 -2.1613 -1.9550 -1.9546 -1.3835 -1.3833 -0.3632 -0.3621 0.1420 0.1514 0.9436 0.9439 1.1148 1.1206 1.3603 1.3618 1.9125 1.9169 2.3145 2.3202 2.4342 2.4378 3.1080 3.1090 3.2933 3.2949 3.7827 3.7854 4.3956 4.3973 4.5928 4.5966 4.7267 4.7277 11.9797 11.9820 12.1287 12.1405 12.6234 12.6242 13.0729 13.0832 13.3426 13.3454 k =-0.3463 0.5580 0.3588 ( 4328 PWs) bands (ev): -13.6445 -13.6445 -13.5319 -13.5318 -10.7009 -10.7005 -9.5236 -9.5211 -9.4644 -9.4637 -8.8306 -8.8262 -2.7930 -2.7922 -2.1600 -2.1580 -1.9790 -1.9787 -1.4378 -1.4377 -0.2935 -0.2929 0.2079 0.2171 0.9340 0.9343 1.1296 1.1340 1.3211 1.3213 1.9280 1.9326 2.2632 2.2698 2.4328 2.4366 3.1152 3.1161 3.3025 3.3033 3.8126 3.8151 4.3980 4.3996 4.5668 4.5704 4.7053 4.7061 11.9627 11.9653 12.1615 12.1734 12.6308 12.6316 13.0719 13.0827 13.2754 13.2788 k =-0.3463 0.5580 0.3751 ( 4333 PWs) bands (ev): -13.6393 -13.6392 -13.5360 -13.5359 -10.6598 -10.6594 -9.5838 -9.5814 -9.4408 -9.4403 -8.8603 -8.8562 -2.7458 -2.7450 -2.1535 -2.1517 -2.0043 -2.0040 -1.4911 -1.4911 -0.2219 -0.2218 0.2706 0.2796 0.9225 0.9233 1.1289 1.1300 1.2966 1.2995 1.9466 1.9513 2.2100 2.2175 2.4288 2.4329 3.1228 3.1237 3.3092 3.3093 3.8438 3.8463 4.4013 4.4029 4.5392 4.5427 4.6839 4.6846 11.9524 11.9552 12.1979 12.2097 12.6374 12.6381 13.0647 13.0757 13.2058 13.2098 k =-0.3463 0.5580 0.3914 ( 4335 PWs) bands (ev): -13.6339 -13.6338 -13.5403 -13.5402 -10.6171 -10.6166 -9.6441 -9.6419 -9.4164 -9.4161 -8.8905 -8.8866 -2.6992 -2.6984 -2.1440 -2.1425 -2.0307 -2.0305 -1.5431 -1.5431 -0.1490 -0.1486 0.3300 0.3387 0.9093 0.9106 1.1019 1.1039 1.2964 1.3025 1.9681 1.9731 2.1554 2.1637 2.4221 2.4264 3.1311 3.1320 3.3126 3.3131 3.8763 3.8788 4.4057 4.4072 4.5103 4.5137 4.6627 4.6632 11.9491 11.9521 12.2377 12.2494 12.6406 12.6412 13.0505 13.0617 13.1386 13.1428 k =-0.3463 0.5580 0.4077 ( 4340 PWs) bands (ev): -13.6285 -13.6284 -13.5447 -13.5446 -10.5729 -10.5724 -9.7044 -9.7023 -9.3912 -9.3910 -8.9210 -8.9174 -2.6533 -2.6526 -2.1317 -2.1303 -2.0582 -2.0581 -1.5937 -1.5937 -0.0749 -0.0740 0.3860 0.3944 0.8945 0.8963 1.0560 1.0599 1.3157 1.3236 1.9924 1.9975 2.0997 2.1086 2.4126 2.4171 3.1402 3.1412 3.3131 3.3141 3.9100 3.9124 4.4111 4.4126 4.4801 4.4833 4.6418 4.6421 11.9529 11.9562 12.2804 12.2920 12.6367 12.6369 13.0295 13.0407 13.0793 13.0836 k =-0.3463 0.5580 0.4240 ( 4336 PWs) bands (ev): -13.6230 -13.6229 -13.5493 -13.5492 -10.5273 -10.5266 -9.7645 -9.7625 -9.3652 -9.3652 -8.9517 -8.9484 -2.6083 -2.6076 -2.1165 -2.1153 -2.0869 -2.0868 -1.6429 -1.6428 0.0003 0.0017 0.4385 0.4466 0.8781 0.8804 1.0011 1.0058 1.3453 1.3543 2.0191 2.0242 2.0432 2.0527 2.4001 2.4048 3.1502 3.1514 3.3109 3.3123 3.9448 3.9472 4.4177 4.4191 4.4486 4.4517 4.6213 4.6214 11.9641 11.9675 12.3257 12.3373 12.6206 12.6209 13.0017 13.0130 13.0343 13.0381 k =-0.3463 0.5580 0.4403 ( 4341 PWs) bands (ev): -13.6175 -13.6174 -13.5540 -13.5539 -10.4801 -10.4794 -9.8243 -9.8224 -9.3387 -9.3384 -8.9826 -8.9796 -2.5642 -2.5635 -2.1172 -2.1172 -2.0981 -2.0971 -1.6903 -1.6902 0.0762 0.0782 0.4876 0.4953 0.8601 0.8629 0.9411 0.9463 1.3807 1.3903 1.9860 1.9961 2.0480 2.0533 2.3847 2.3895 3.1612 3.1626 3.3062 3.3080 3.9804 3.9828 4.4158 4.4189 4.4255 4.4271 4.6011 4.6012 11.9824 11.9861 12.3733 12.3849 12.5887 12.5899 12.9680 12.9793 13.0082 13.0113 k =-0.3463 0.5580 0.4566 ( 4339 PWs) bands (ev): -13.6120 -13.6119 -13.5588 -13.5588 -10.4316 -10.4308 -9.8837 -9.8819 -9.3114 -9.3110 -9.0136 -9.0108 -2.5211 -2.5204 -2.1482 -2.1481 -2.0775 -2.0767 -1.7361 -1.7360 0.1525 0.1550 0.5333 0.5407 0.8406 0.8437 0.8778 0.8832 1.4199 1.4300 1.9290 1.9395 2.0785 2.0838 2.3664 2.3714 3.1731 3.1747 3.2992 3.3012 4.0168 4.0192 4.3823 4.3853 4.4343 4.4357 4.5815 4.5817 12.0080 12.0118 12.4229 12.4344 12.5419 12.5438 12.9292 12.9403 13.0012 13.0035 k =-0.3463 0.5580 0.4729 ( 4337 PWs) bands (ev): -13.6065 -13.6064 -13.5638 -13.5637 -10.3818 -10.3809 -9.9425 -9.9408 -9.2836 -9.2830 -9.0445 -9.0420 -2.4790 -2.4784 -2.1804 -2.1803 -2.0541 -2.0534 -1.7800 -1.7799 0.2290 0.2320 0.5757 0.5827 0.8117 0.8172 0.8197 0.8233 1.4621 1.4726 1.8722 1.8831 2.1101 2.1155 2.3454 2.3505 3.1858 3.1875 3.2902 3.2924 4.0537 4.0561 4.3478 4.3506 4.4443 4.4456 4.5626 4.5630 12.0405 12.0445 12.4721 12.4851 12.4864 12.4875 12.8860 12.8971 13.0096 13.0113 k =-0.3463 0.5580 0.4892 ( 4340 PWs) bands (ev): -13.6010 -13.6009 -13.5688 -13.5688 -10.3306 -10.3297 -10.0006 -9.9991 -9.2552 -9.2543 -9.0754 -9.0732 -2.4378 -2.4373 -2.2138 -2.2137 -2.0281 -2.0276 -1.8219 -1.8219 0.3052 0.3088 0.6150 0.6216 0.7440 0.7495 0.7965 0.8006 1.5069 1.5177 1.8160 1.8271 2.1423 2.1477 2.3217 2.3270 3.1991 3.2011 3.2796 3.2819 4.0909 4.0933 4.3125 4.3152 4.4554 4.4566 4.5444 4.5450 12.0797 12.0838 12.4210 12.4247 12.5269 12.5378 12.8394 12.8504 13.0291 13.0304 k =-0.3463 0.5580 0.5055 ( 4338 PWs) bands (ev): -13.5955 -13.5954 -13.5740 -13.5739 -10.2783 -10.2772 -10.0580 -10.0566 -9.2262 -9.2251 -9.1062 -9.1042 -2.3978 -2.3973 -2.2484 -2.2482 -1.9996 -1.9992 -1.8618 -1.8618 0.3810 0.3850 0.6513 0.6573 0.6745 0.6797 0.7718 0.7763 1.5539 1.5649 1.7607 1.7720 2.1747 2.1801 2.2957 2.3010 3.2129 3.2150 3.2675 3.2699 4.1283 4.1307 4.2765 4.2791 4.4676 4.4687 4.5271 4.5278 12.1252 12.1293 12.3566 12.3605 12.5799 12.5908 12.7902 12.8010 13.0561 13.0571 k =-0.3463 0.5580 0.5218 ( 4332 PWs) bands (ev): -13.5900 -13.5899 -13.5793 -13.5792 -10.2248 -10.2236 -10.1146 -10.1132 -9.1968 -9.1955 -9.1367 -9.1349 -2.3588 -2.3584 -2.2841 -2.2838 -1.9686 -1.9683 -1.8997 -1.8995 0.4560 0.4605 0.6028 0.6080 0.6851 0.6909 0.7450 0.7500 1.6030 1.6142 1.7066 1.7180 2.2067 2.2121 2.2676 2.2730 3.2269 3.2292 3.2546 3.2570 4.1657 4.1681 4.2399 4.2425 4.4810 4.4820 4.5108 4.5116 12.1764 12.1806 12.2933 12.2973 12.6332 12.6441 12.7389 12.7498 13.0884 13.0892 k =-0.3463 0.5580 0.5381 ( 4328 PWs) bands (ev): -13.5846 -13.5846 -13.5845 -13.5845 -10.1702 -10.1702 -10.1689 -10.1689 -9.1669 -9.1669 -9.1654 -9.1654 -2.3209 -2.3209 -2.3205 -2.3205 -1.9353 -1.9353 -1.9351 -1.9351 0.5301 0.5301 0.5349 0.5349 0.7162 0.7162 0.7216 0.7216 1.6540 1.6540 1.6653 1.6653 2.2378 2.2378 2.2432 2.2432 3.2409 3.2409 3.2433 3.2433 4.2030 4.2030 4.2055 4.2055 4.4953 4.4953 4.4963 4.4963 12.2328 12.2328 12.2369 12.2369 12.6864 12.6864 12.6973 12.6973 13.1245 13.1245 k =-0.3463 0.5580 0.5381 ( 4328 PWs) bands (ev): -13.5846 -13.5846 -13.5845 -13.5845 -10.1702 -10.1702 -10.1689 -10.1689 -9.1669 -9.1669 -9.1654 -9.1654 -2.3209 -2.3209 -2.3205 -2.3205 -1.9353 -1.9353 -1.9351 -1.9351 0.5301 0.5301 0.5349 0.5349 0.7162 0.7162 0.7216 0.7216 1.6540 1.6540 1.6653 1.6653 2.2378 2.2378 2.2432 2.2432 3.2409 3.2409 3.2433 3.2433 4.2030 4.2030 4.2055 4.2055 4.4953 4.4953 4.4963 4.4963 12.2328 12.2328 12.2369 12.2369 12.6864 12.6864 12.6973 12.6973 13.1245 13.1245 k =-0.3548 0.5442 0.5381 ( 4320 PWs) bands (ev): -13.5822 -13.5822 -13.5822 -13.5822 -10.1980 -10.1980 -10.1969 -10.1969 -9.1353 -9.1353 -9.1339 -9.1339 -2.2867 -2.2867 -2.2864 -2.2864 -2.0043 -2.0043 -2.0040 -2.0040 0.5503 0.5503 0.5551 0.5551 0.7226 0.7226 0.7276 0.7276 1.6618 1.6618 1.6730 1.6730 2.2468 2.2468 2.2519 2.2519 3.2370 3.2370 3.2391 3.2391 4.1738 4.1738 4.1763 4.1763 4.5261 4.5261 4.5270 4.5270 12.1862 12.1862 12.1902 12.1902 12.6768 12.6768 12.6871 12.6871 13.1533 13.1533 k =-0.3634 0.5305 0.5381 ( 4312 PWs) bands (ev): -13.5800 -13.5800 -13.5799 -13.5799 -10.2245 -10.2245 -10.2234 -10.2234 -9.1045 -9.1045 -9.1031 -9.1031 -2.2545 -2.2545 -2.2541 -2.2541 -2.0711 -2.0711 -2.0707 -2.0707 0.5684 0.5684 0.5732 0.5732 0.7289 0.7289 0.7336 0.7336 1.6706 1.6706 1.6815 1.6815 2.2562 2.2562 2.2611 2.2611 3.2327 3.2327 3.2347 3.2347 4.1461 4.1461 4.1486 4.1486 4.5572 4.5572 4.5581 4.5581 12.1391 12.1391 12.1430 12.1430 12.6664 12.6664 12.6762 12.6762 13.1836 13.1836 k =-0.3719 0.5167 0.5381 ( 4320 PWs) bands (ev): -13.5779 -13.5779 -13.5778 -13.5778 -10.2495 -10.2495 -10.2484 -10.2484 -9.0745 -9.0745 -9.0731 -9.0731 -2.2242 -2.2242 -2.2238 -2.2238 -2.1355 -2.1355 -2.1350 -2.1350 0.5846 0.5846 0.5893 0.5893 0.7351 0.7351 0.7395 0.7395 1.6801 1.6801 1.6907 1.6907 2.2659 2.2659 2.2706 2.2706 3.2281 3.2281 3.2299 3.2299 4.1198 4.1198 4.1223 4.1223 4.5884 4.5884 4.5892 4.5892 12.0924 12.0924 12.0961 12.0961 12.6559 12.6559 12.6652 12.6652 13.2144 13.2144 k =-0.3804 0.5030 0.5381 ( 4328 PWs) bands (ev): -13.5759 -13.5759 -13.5758 -13.5758 -10.2730 -10.2730 -10.2720 -10.2720 -9.0456 -9.0456 -9.0442 -9.0442 -2.1990 -2.1990 -2.1986 -2.1986 -2.1939 -2.1939 -2.1936 -2.1936 0.5989 0.5989 0.6035 0.6035 0.7412 0.7412 0.7453 0.7453 1.6902 1.6902 1.7003 1.7003 2.2759 2.2759 2.2804 2.2804 3.2232 3.2232 3.2248 3.2248 4.0951 4.0951 4.0976 4.0976 4.6194 4.6194 4.6202 4.6202 12.0467 12.0467 12.0503 12.0503 12.6458 12.6458 12.6546 12.6546 13.2450 13.2451 k =-0.3890 0.4892 0.5381 ( 4324 PWs) bands (ev): -13.5740 -13.5740 -13.5740 -13.5740 -10.2950 -10.2950 -10.2941 -10.2941 -9.0177 -9.0177 -9.0165 -9.0165 -2.2561 -2.2561 -2.2556 -2.2556 -2.1691 -2.1691 -2.1688 -2.1688 0.6115 0.6115 0.6159 0.6159 0.7472 0.7472 0.7510 0.7510 1.7006 1.7006 1.7102 1.7102 2.2859 2.2859 2.2901 2.2901 3.2181 3.2181 3.2196 3.2196 4.0720 4.0720 4.0744 4.0744 4.6499 4.6499 4.6508 4.6508 12.0026 12.0026 12.0060 12.0060 12.6365 12.6365 12.6447 12.6447 13.2751 13.2751 k =-0.3975 0.4754 0.5381 ( 4324 PWs) bands (ev): -13.5723 -13.5723 -13.5722 -13.5722 -10.3154 -10.3154 -10.3146 -10.3146 -8.9912 -8.9912 -8.9900 -8.9900 -2.3116 -2.3116 -2.3111 -2.3111 -2.1446 -2.1446 -2.1442 -2.1442 0.6225 0.6225 0.6266 0.6266 0.7529 0.7529 0.7565 0.7565 1.7111 1.7111 1.7202 1.7202 2.2958 2.2958 2.2998 2.2998 3.2129 3.2129 3.2143 3.2143 4.0506 4.0506 4.0528 4.0528 4.6798 4.6798 4.6806 4.6806 11.9606 11.9606 11.9637 11.9637 12.6284 12.6284 12.6361 12.6361 13.3039 13.3039 k =-0.4061 0.4617 0.5381 ( 4326 PWs) bands (ev): -13.5707 -13.5707 -13.5706 -13.5706 -10.3343 -10.3343 -10.3335 -10.3335 -8.9661 -8.9661 -8.9650 -8.9650 -2.3637 -2.3637 -2.3632 -2.3632 -2.1220 -2.1220 -2.1217 -2.1217 0.6320 0.6320 0.6359 0.6359 0.7584 0.7584 0.7617 0.7617 1.7215 1.7215 1.7301 1.7301 2.3056 2.3056 2.3093 2.3093 3.2076 3.2076 3.2088 3.2088 4.0308 4.0308 4.0330 4.0330 4.7087 4.7087 4.7094 4.7094 11.9209 11.9209 11.9237 11.9237 12.6217 12.6217 12.6288 12.6288 13.3313 13.3313 k =-0.4146 0.4479 0.5381 ( 4326 PWs) bands (ev): -13.5692 -13.5692 -13.5691 -13.5691 -10.3517 -10.3517 -10.3509 -10.3509 -8.9426 -8.9426 -8.9415 -8.9415 -2.4122 -2.4122 -2.4117 -2.4117 -2.1013 -2.1013 -2.1010 -2.1010 0.6402 0.6402 0.6439 0.6439 0.7637 0.7637 0.7666 0.7666 1.7317 1.7317 1.7396 1.7396 2.3150 2.3150 2.3185 2.3185 3.2023 3.2023 3.2035 3.2035 4.0127 4.0127 4.0148 4.0148 4.7363 4.7363 4.7370 4.7370 11.8838 11.8838 11.8864 11.8864 12.6166 12.6166 12.6231 12.6231 13.3569 13.3569 k =-0.4231 0.4341 0.5381 ( 4322 PWs) bands (ev): -13.5679 -13.5679 -13.5678 -13.5678 -10.3674 -10.3674 -10.3667 -10.3667 -8.9208 -8.9208 -8.9199 -8.9199 -2.4568 -2.4568 -2.4563 -2.4563 -2.0826 -2.0826 -2.0823 -2.0823 0.6473 0.6473 0.6506 0.6506 0.7686 0.7686 0.7712 0.7712 1.7414 1.7414 1.7486 1.7486 2.3240 2.3240 2.3272 2.3272 3.1972 3.1972 3.1982 3.1982 3.9964 3.9964 3.9983 3.9983 4.7624 4.7624 4.7630 4.7630 11.8497 11.8497 11.8521 11.8521 12.6131 12.6131 12.6190 12.6190 13.3805 13.3805 k =-0.4317 0.4204 0.5381 ( 4326 PWs) bands (ev): -13.5667 -13.5667 -13.5666 -13.5666 -10.3815 -10.3815 -10.3809 -10.3809 -8.9009 -8.9009 -8.9000 -8.9000 -2.4972 -2.4972 -2.4968 -2.4968 -2.0659 -2.0659 -2.0656 -2.0656 0.6532 0.6532 0.6562 0.6562 0.7731 0.7731 0.7754 0.7754 1.7505 1.7505 1.7570 1.7570 2.3324 2.3324 2.3353 2.3353 3.1922 3.1922 3.1932 3.1932 3.9818 3.9818 3.9835 3.9835 4.7866 4.7866 4.7871 4.7871 11.8187 11.8187 11.8208 11.8208 12.6111 12.6111 12.6164 12.6164 13.4020 13.4020 k =-0.4402 0.4066 0.5381 ( 4334 PWs) bands (ev): -13.5656 -13.5656 -13.5656 -13.5656 -10.3939 -10.3939 -10.3934 -10.3934 -8.8830 -8.8830 -8.8822 -8.8822 -2.5334 -2.5334 -2.5330 -2.5330 -2.0511 -2.0511 -2.0509 -2.0509 0.6583 0.6583 0.6609 0.6609 0.7772 0.7772 0.7793 0.7793 1.7589 1.7589 1.7647 1.7647 2.3401 2.3401 2.3427 2.3427 3.1876 3.1876 3.1884 3.1884 3.9689 3.9689 3.9705 3.9705 4.8087 4.8087 4.8092 4.8092 11.7909 11.7909 11.7928 11.7928 12.6106 12.6106 12.6153 12.6153 13.4212 13.4212 k =-0.4488 0.3929 0.5381 ( 4338 PWs) bands (ev): -13.5647 -13.5647 -13.5646 -13.5646 -10.4048 -10.4048 -10.4043 -10.4043 -8.8672 -8.8672 -8.8665 -8.8665 -2.5652 -2.5652 -2.5648 -2.5648 -2.0383 -2.0383 -2.0381 -2.0381 0.6625 0.6625 0.6648 0.6648 0.7809 0.7809 0.7826 0.7826 1.7665 1.7665 1.7715 1.7715 2.3471 2.3471 2.3493 2.3493 3.1834 3.1834 3.1841 3.1841 3.9578 3.9578 3.9592 3.9592 4.8284 4.8284 4.8288 4.8288 11.7666 11.7666 11.7682 11.7682 12.6113 12.6113 12.6154 12.6154 13.4380 13.4380 k =-0.4573 0.3791 0.5381 ( 4342 PWs) bands (ev): -13.5639 -13.5639 -13.5639 -13.5639 -10.4139 -10.4139 -10.4136 -10.4136 -8.8536 -8.8536 -8.8530 -8.8530 -2.5923 -2.5923 -2.5920 -2.5920 -2.0275 -2.0275 -2.0273 -2.0273 0.6659 0.6659 0.6678 0.6678 0.7841 0.7841 0.7855 0.7855 1.7732 1.7732 1.7774 1.7774 2.3531 2.3531 2.3550 2.3550 3.1796 3.1796 3.1802 3.1802 3.9484 3.9484 3.9496 3.9496 4.8455 4.8455 4.8459 4.8459 11.7459 11.7459 11.7472 11.7472 12.6130 12.6130 12.6164 12.6164 13.4522 13.4523 k =-0.4658 0.3653 0.5381 ( 4346 PWs) bands (ev): -13.5632 -13.5632 -13.5632 -13.5632 -10.4214 -10.4214 -10.4211 -10.4211 -8.8423 -8.8423 -8.8419 -8.8419 -2.6147 -2.6147 -2.6144 -2.6144 -2.0186 -2.0186 -2.0184 -2.0184 0.6686 0.6686 0.6702 0.6702 0.7867 0.7867 0.7879 0.7879 1.7788 1.7788 1.7822 1.7822 2.3583 2.3583 2.3598 2.3598 3.1765 3.1765 3.1770 3.1770 3.9408 3.9408 3.9417 3.9417 4.8598 4.8598 4.8601 4.8601 11.7288 11.7288 11.7299 11.7299 12.6151 12.6151 12.6179 12.6179 13.4640 13.4640 k =-0.4744 0.3516 0.5381 ( 4346 PWs) bands (ev): -13.5627 -13.5627 -13.5627 -13.5627 -10.4273 -10.4273 -10.4271 -10.4271 -8.8335 -8.8335 -8.8331 -8.8331 -2.6322 -2.6322 -2.6320 -2.6320 -2.0117 -2.0117 -2.0116 -2.0116 0.6707 0.6707 0.6719 0.6719 0.7889 0.7889 0.7898 0.7898 1.7833 1.7833 1.7859 1.7859 2.3624 2.3624 2.3635 2.3635 3.1739 3.1739 3.1743 3.1743 3.9349 3.9349 3.9356 3.9356 4.8711 4.8711 4.8713 4.8713 11.7155 11.7155 11.7163 11.7163 12.6175 12.6175 12.6196 12.6196 13.4732 13.4732 k =-0.4829 0.3378 0.5381 ( 4354 PWs) bands (ev): -13.5624 -13.5624 -13.5624 -13.5624 -10.4315 -10.4315 -10.4313 -10.4313 -8.8271 -8.8271 -8.8269 -8.8269 -2.6447 -2.6447 -2.6446 -2.6446 -2.0067 -2.0067 -2.0067 -2.0067 0.6723 0.6723 0.6730 0.6730 0.7905 0.7905 0.7911 0.7911 1.7867 1.7867 1.7884 1.7884 2.3654 2.3654 2.3661 2.3661 3.1721 3.1721 3.1724 3.1724 3.9307 3.9307 3.9312 3.9312 4.8793 4.8793 4.8795 4.8795 11.7060 11.7060 11.7065 11.7065 12.6196 12.6196 12.6210 12.6210 13.4798 13.4798 k =-0.4915 0.3240 0.5381 ( 4360 PWs) bands (ev): -13.5622 -13.5622 -13.5622 -13.5622 -10.4339 -10.4339 -10.4339 -10.4339 -8.8232 -8.8232 -8.8231 -8.8231 -2.6523 -2.6523 -2.6522 -2.6522 -2.0038 -2.0038 -2.0037 -2.0037 0.6732 0.6732 0.6736 0.6736 0.7915 0.7915 0.7918 0.7918 1.7889 1.7889 1.7898 1.7898 2.3673 2.3673 2.3677 2.3677 3.1710 3.1710 3.1712 3.1712 3.9282 3.9282 3.9285 3.9285 4.8843 4.8843 4.8844 4.8844 11.7003 11.7003 11.7006 11.7006 12.6211 12.6211 12.6218 12.6218 13.4837 13.4837 k =-0.5000 0.3103 0.5381 ( 4360 PWs) bands (ev): -13.5621 -13.5621 -13.5621 -13.5621 -10.4347 -10.4347 -10.4347 -10.4347 -8.8219 -8.8219 -8.8219 -8.8219 -2.6548 -2.6548 -2.6548 -2.6548 -2.0028 -2.0028 -2.0028 -2.0028 0.6737 0.6737 0.6737 0.6737 0.7919 0.7919 0.7919 0.7919 1.7900 1.7900 1.7900 1.7900 2.3681 2.3681 2.3681 2.3681 3.1707 3.1707 3.1707 3.1707 3.9275 3.9275 3.9275 3.9275 4.8860 4.8860 4.8860 4.8860 11.6985 11.6985 11.6985 11.6985 12.6219 12.6219 12.6219 12.6219 13.4851 13.4851 k =-0.5000 0.3103 0.5381 ( 4360 PWs) bands (ev): -13.5621 -13.5621 -13.5621 -13.5621 -10.4347 -10.4347 -10.4347 -10.4347 -8.8219 -8.8219 -8.8219 -8.8219 -2.6548 -2.6548 -2.6548 -2.6548 -2.0028 -2.0028 -2.0028 -2.0028 0.6737 0.6737 0.6737 0.6737 0.7919 0.7919 0.7919 0.7919 1.7900 1.7900 1.7900 1.7900 2.3681 2.3681 2.3681 2.3681 3.1707 3.1707 3.1707 3.1707 3.9275 3.9275 3.9275 3.9275 4.8860 4.8860 4.8860 4.8860 11.6985 11.6985 11.6985 11.6985 12.6219 12.6219 12.6219 12.6219 13.4851 13.4851 k =-0.5000 0.3103 0.5218 ( 4356 PWs) bands (ev): -13.5667 -13.5667 -13.5575 -13.5575 -10.4918 -10.4918 -10.3766 -10.3766 -8.8275 -8.8275 -8.8165 -8.8165 -2.6590 -2.6590 -2.6475 -2.6475 -2.0404 -2.0404 -1.9673 -1.9673 0.5776 0.5776 0.7694 0.7694 0.7850 0.7850 0.7973 0.7973 1.7628 1.7628 1.8195 1.8195 2.3624 2.3624 2.3723 2.3723 3.1673 3.1673 3.1707 3.1707 3.8904 3.8904 3.9649 3.9649 4.8863 4.8863 4.8866 4.8866 11.7019 11.7019 11.7035 11.7035 12.6195 12.6195 12.6212 12.6212 13.4425 13.4425 k =-0.5000 0.3103 0.5055 ( 4352 PWs) bands (ev): -13.5713 -13.5713 -13.5531 -13.5531 -10.5477 -10.5477 -10.3173 -10.3173 -8.8332 -8.8332 -8.8113 -8.8113 -2.6600 -2.6600 -2.6371 -2.6371 -2.0803 -2.0803 -1.9340 -1.9340 0.4821 0.4821 0.7761 0.7761 0.8010 0.8010 0.8639 0.8639 1.7391 1.7391 1.8509 1.8509 2.3554 2.3554 2.3751 2.3751 3.1602 3.1602 3.1677 3.1677 3.8540 3.8540 4.0022 4.0022 4.8875 4.8875 4.8881 4.8881 11.7134 11.7134 11.7170 11.7170 12.6137 12.6137 12.6179 12.6179 13.3992 13.3992 k =-0.5000 0.3103 0.4892 ( 4348 PWs) bands (ev): -13.5760 -13.5760 -13.5486 -13.5486 -10.6023 -10.6023 -10.2571 -10.2571 -8.8392 -8.8392 -8.8063 -8.8063 -2.6580 -2.6580 -2.6236 -2.6236 -2.1226 -2.1226 -1.9027 -1.9027 0.3879 0.3879 0.7654 0.7654 0.8031 0.8031 0.9551 0.9551 1.7200 1.7200 1.8836 1.8836 2.3473 2.3473 2.3764 2.3764 3.1490 3.1490 3.1622 3.1622 3.8185 3.8185 4.0393 4.0393 4.8897 4.8897 4.8904 4.8904 11.7328 11.7328 11.7390 11.7390 12.6043 12.6043 12.6122 12.6122 13.3554 13.3554 k =-0.5000 0.3103 0.4729 ( 4352 PWs) bands (ev): -13.5807 -13.5807 -13.5443 -13.5443 -10.6555 -10.6555 -10.1961 -10.1961 -8.8453 -8.8453 -8.8016 -8.8016 -2.6528 -2.6528 -2.6071 -2.6071 -2.1674 -2.1674 -1.8732 -1.8732 0.2956 0.2956 0.7527 0.7527 0.8037 0.8037 1.0408 1.0408 1.7076 1.7076 1.9174 1.9174 2.3380 2.3380 2.3760 2.3760 3.1335 3.1335 3.1548 3.1548 3.7842 3.7842 4.0757 4.0757 4.8929 4.8929 4.8935 4.8935 11.7596 11.7596 11.7695 11.7695 12.5913 12.5913 12.6046 12.6046 13.3117 13.3117 k =-0.5000 0.3103 0.4566 ( 4352 PWs) bands (ev): -13.5854 -13.5854 -13.5400 -13.5400 -10.7074 -10.7074 -10.1342 -10.1342 -8.8515 -8.8515 -8.7971 -8.7971 -2.6445 -2.6445 -2.5877 -2.5877 -2.2146 -2.2146 -1.8456 -1.8456 0.2057 0.2057 0.7378 0.7378 0.8026 0.8026 1.1176 1.1176 1.7049 1.7049 1.9519 1.9519 2.3276 2.3276 2.3741 2.3741 3.1137 3.1137 3.1458 3.1458 3.7514 3.7514 4.1112 4.1112 4.8969 4.8969 4.8975 4.8975 11.7933 11.7933 11.8084 11.8084 12.5747 12.5747 12.5956 12.5956 13.2686 13.2686 k =-0.5000 0.3103 0.4403 ( 4352 PWs) bands (ev): -13.5900 -13.5900 -13.5359 -13.5359 -10.7579 -10.7579 -10.0717 -10.0717 -8.8578 -8.8578 -8.7929 -8.7929 -2.6331 -2.6331 -2.5653 -2.5653 -2.2644 -2.2644 -1.8196 -1.8196 0.1187 0.1187 0.7206 0.7206 0.7998 0.7998 1.1815 1.1815 1.7157 1.7157 1.9870 1.9870 2.3163 2.3163 2.3707 2.3707 3.0898 3.0898 3.1358 3.1358 3.7202 3.7202 4.1458 4.1458 4.9013 4.9013 4.9029 4.9029 11.8334 11.8334 11.8555 11.8555 12.5547 12.5547 12.5856 12.5856 13.2267 13.2267 k =-0.5000 0.3103 0.4240 ( 4356 PWs) bands (ev): -13.5947 -13.5947 -13.5318 -13.5318 -10.8069 -10.8069 -10.0087 -10.0087 -8.8642 -8.8642 -8.7889 -8.7889 -2.6187 -2.6187 -2.5402 -2.5402 -2.3167 -2.3167 -1.7953 -1.7953 0.0348 0.0348 0.7009 0.7009 0.7953 0.7953 1.2285 1.2285 1.7437 1.7437 2.0224 2.0224 2.3042 2.3042 2.3658 2.3658 3.0620 3.0620 3.1252 3.1252 3.6905 3.6905 4.1792 4.1792 4.9062 4.9062 4.9095 4.9095 11.8791 11.8791 11.9106 11.9106 12.5315 12.5315 12.5750 12.5750 13.1867 13.1867 k =-0.5000 0.3103 0.4077 ( 4356 PWs) bands (ev): -13.5993 -13.5993 -13.5279 -13.5279 -10.8543 -10.8543 -9.9452 -9.9452 -8.8706 -8.8706 -8.7852 -8.7852 -2.6012 -2.6012 -2.5122 -2.5122 -2.3714 -2.3714 -1.7724 -1.7724 -0.0457 -0.0457 0.6786 0.6786 0.7890 0.7890 1.2573 1.2573 1.7898 1.7898 2.0580 2.0580 2.2913 2.2913 2.3595 2.3595 3.0307 3.0307 3.1144 3.1144 3.6624 3.6624 4.2112 4.2112 4.9115 4.9115 4.9174 4.9174 11.9295 11.9295 11.9734 11.9734 12.5057 12.5057 12.5640 12.5640 13.1494 13.1494 k =-0.5000 0.3103 0.3914 ( 4350 PWs) bands (ev): -13.6039 -13.6039 -13.5240 -13.5240 -10.9002 -10.9002 -9.8814 -9.8814 -8.8771 -8.8771 -8.7817 -8.7817 -2.5808 -2.5808 -2.4816 -2.4816 -2.4285 -2.4285 -1.7510 -1.7510 -0.1224 -0.1224 0.6534 0.6534 0.7807 0.7807 1.2701 1.2701 1.8515 1.8515 2.0937 2.0937 2.2778 2.2778 2.3521 2.3521 2.9965 2.9965 3.1037 3.1037 3.6358 3.6358 4.2418 4.2418 4.9174 4.9174 4.9264 4.9264 11.9834 11.9834 12.0435 12.0435 12.4777 12.4777 12.5532 12.5532 13.1157 13.1157 k =-0.5000 0.3103 0.3751 ( 4352 PWs) bands (ev): -13.6084 -13.6084 -13.5203 -13.5203 -10.9444 -10.9444 -9.8175 -9.8175 -8.8836 -8.8836 -8.7784 -8.7784 -2.5575 -2.5575 -2.4879 -2.4879 -2.4483 -2.4483 -1.7310 -1.7310 -0.1953 -0.1953 0.6253 0.6253 0.7703 0.7703 1.2710 1.2710 1.9243 1.9243 2.1292 2.1292 2.2638 2.2638 2.3436 2.3436 2.9599 2.9599 3.0934 3.0934 3.6104 3.6104 4.2708 4.2708 4.9236 4.9236 4.9366 4.9366 12.0396 12.0396 12.1205 12.1205 12.4479 12.4479 12.5427 12.5427 13.0866 13.0866 k =-0.5000 0.3103 0.3588 ( 4344 PWs) bands (ev): -13.6128 -13.6128 -13.5167 -13.5167 -10.9871 -10.9871 -9.7536 -9.7536 -8.8900 -8.8900 -8.7754 -8.7754 -2.5493 -2.5493 -2.5313 -2.5313 -2.4127 -2.4127 -1.7122 -1.7122 -0.2642 -0.2642 0.5941 0.5941 0.7576 0.7576 1.2640 1.2640 2.0039 2.0039 2.1646 2.1646 2.2494 2.2494 2.3345 2.3345 2.9218 2.9218 3.0836 3.0836 3.5861 3.5861 4.2983 4.2983 4.9301 4.9301 4.9481 4.9481 12.0963 12.0963 12.2039 12.2039 12.4168 12.4168 12.5329 12.5329 13.0635 13.0635 k =-0.5000 0.3103 0.3425 ( 4348 PWs) bands (ev): -13.6171 -13.6171 -13.5133 -13.5133 -11.0280 -11.0280 -9.6898 -9.6898 -8.8964 -8.8964 -8.7727 -8.7727 -2.6124 -2.6124 -2.5024 -2.5024 -2.3747 -2.3747 -1.6946 -1.6946 -0.3290 -0.3290 0.5597 0.5597 0.7425 0.7425 1.2523 1.2523 2.0868 2.0868 2.1995 2.1995 2.2347 2.2347 2.3249 2.3249 2.8826 2.8826 3.0744 3.0744 3.5627 3.5627 4.3242 4.3242 4.9369 4.9369 4.9608 4.9608 12.1517 12.1517 12.2931 12.2931 12.3851 12.3851 12.5240 12.5240 13.0480 13.0480 k =-0.5000 0.3103 0.3261 ( 4348 PWs) bands (ev): -13.6214 -13.6214 -13.5100 -13.5100 -11.0672 -11.0672 -9.6264 -9.6264 -8.9027 -8.9027 -8.7701 -8.7701 -2.6770 -2.6770 -2.4709 -2.4709 -2.3345 -2.3345 -1.6782 -1.6782 -0.3898 -0.3898 0.5221 0.5221 0.7249 0.7249 1.2376 1.2376 2.1708 2.1708 2.2195 2.2195 2.2345 2.2345 2.3151 2.3151 2.8430 2.8430 3.0661 3.0661 3.5401 3.5401 4.3484 4.3484 4.9439 4.9439 4.9747 4.9747 12.2034 12.2034 12.3526 12.3526 12.3879 12.3879 12.5162 12.5162 13.0420 13.0420 k =-0.5000 0.3103 0.3098 ( 4344 PWs) bands (ev): -13.6255 -13.6255 -13.5068 -13.5068 -11.1046 -11.1046 -9.5635 -9.5635 -8.9090 -8.9090 -8.7678 -8.7678 -2.7428 -2.7428 -2.4369 -2.4369 -2.2923 -2.2923 -1.6630 -1.6630 -0.4466 -0.4466 0.4813 0.4813 0.7047 0.7047 1.2213 1.2213 2.2049 2.2049 2.2527 2.2527 2.2701 2.2701 2.3056 2.3056 2.8036 2.8036 3.0585 3.0585 3.5182 3.5182 4.3711 4.3711 4.9510 4.9510 4.9897 4.9897 12.2491 12.2491 12.3207 12.3207 12.4867 12.4867 12.5100 12.5100 13.0472 13.0472 k =-0.5000 0.3103 0.2935 ( 4336 PWs) bands (ev): -13.6295 -13.6295 -13.5038 -13.5038 -11.1403 -11.1403 -9.5014 -9.5014 -8.9151 -8.9151 -8.7657 -8.7657 -2.8094 -2.8094 -2.4004 -2.4004 -2.2482 -2.2482 -1.6487 -1.6487 -0.4994 -0.4994 0.4375 0.4375 0.6816 0.6816 1.2043 1.2043 2.1904 2.1904 2.2955 2.2955 2.3001 2.3001 2.3388 2.3388 2.7649 2.7649 3.0517 3.0517 3.4969 3.4969 4.3921 4.3921 4.9582 4.9582 5.0058 5.0058 12.2838 12.2838 12.2918 12.2918 12.5048 12.5048 12.5900 12.5900 13.0653 13.0653 k =-0.5000 0.3103 0.2772 ( 4332 PWs) bands (ev): -13.6334 -13.6334 -13.5010 -13.5010 -11.1742 -11.1742 -9.4403 -9.4403 -8.9210 -8.9210 -8.7639 -8.7639 -2.8763 -2.8763 -2.3618 -2.3618 -2.2024 -2.2024 -1.6355 -1.6355 -0.5483 -0.5483 0.3906 0.3906 0.6557 0.6557 1.1870 1.1870 2.1763 2.1763 2.2876 2.2876 2.3320 2.3320 2.4184 2.4184 2.7273 2.7273 3.0456 3.0456 3.4763 3.4763 4.4114 4.4114 4.9654 4.9654 5.0229 5.0229 12.2572 12.2572 12.3158 12.3158 12.5017 12.5017 12.6960 12.6960 13.0967 13.0967 k =-0.5000 0.3103 0.2609 ( 4328 PWs) bands (ev): -13.6371 -13.6371 -13.4983 -13.4983 -11.2063 -11.2063 -9.3803 -9.3803 -8.9267 -8.9267 -8.7622 -8.7622 -2.9432 -2.9432 -2.3210 -2.3210 -2.1552 -2.1552 -1.6233 -1.6233 -0.5934 -0.5934 0.3410 0.3410 0.6270 0.6270 1.1698 1.1698 2.1628 2.1628 2.2797 2.2797 2.3632 2.3632 2.4954 2.4954 2.6910 2.6910 3.0402 3.0402 3.4562 3.4562 4.4292 4.4292 4.9726 4.9726 5.0409 5.0409 12.2270 12.2270 12.3349 12.3349 12.5004 12.5004 12.8038 12.8038 13.1410 13.1410 k =-0.5000 0.3103 0.2446 ( 4324 PWs) bands (ev): -13.6406 -13.6406 -13.4957 -13.4957 -11.2365 -11.2365 -9.3219 -9.3219 -8.9323 -8.9323 -8.7606 -8.7606 -3.0094 -3.0094 -2.2785 -2.2785 -2.1068 -2.1068 -1.6120 -1.6120 -0.6349 -0.6349 0.2889 0.2889 0.5956 0.5956 1.1531 1.1531 2.1501 2.1501 2.2728 2.2728 2.3931 2.3931 2.5691 2.5691 2.6565 2.6565 3.0354 3.0354 3.4368 3.4368 4.4455 4.4455 4.9796 4.9796 5.0596 5.0596 12.1978 12.1978 12.3457 12.3457 12.5012 12.5012 12.9124 12.9124 13.1963 13.1963 k =-0.5000 0.3103 0.2283 ( 4318 PWs) bands (ev): -13.6440 -13.6440 -13.4933 -13.4933 -11.2648 -11.2648 -9.2651 -9.2651 -8.9376 -8.9376 -8.7593 -8.7593 -3.0747 -3.0747 -2.2343 -2.2343 -2.0575 -2.0575 -1.6015 -1.6015 -0.6730 -0.6730 0.2347 0.2347 0.5616 0.5616 1.1370 1.1370 2.1384 2.1384 2.2668 2.2668 2.4218 2.4218 2.6235 2.6235 2.6393 2.6393 3.0311 3.0311 3.4181 3.4181 4.4603 4.4603 4.9865 4.9865 5.0789 5.0789 12.1700 12.1700 12.3499 12.3499 12.5042 12.5042 13.0201 13.0201 13.2603 13.2603 k =-0.5000 0.3103 0.2120 ( 4322 PWs) bands (ev): -13.6472 -13.6472 -13.4911 -13.4911 -11.2913 -11.2913 -9.2104 -9.2104 -8.9426 -8.9426 -8.7581 -8.7581 -3.1383 -3.1383 -2.1888 -2.1888 -2.0076 -2.0076 -1.5920 -1.5920 -0.7076 -0.7076 0.1788 0.1788 0.5253 0.5253 1.1216 1.1216 2.1278 2.1278 2.2619 2.2619 2.4490 2.4490 2.5930 2.5930 2.7048 2.7048 3.0273 3.0273 3.4002 3.4002 4.4737 4.4737 4.9932 4.9932 5.0986 5.0986 12.1436 12.1436 12.3493 12.3493 12.5094 12.5094 13.1250 13.1250 13.3255 13.3255 k =-0.5000 0.3103 0.1957 ( 4326 PWs) bands (ev): -13.6502 -13.6502 -13.4890 -13.4890 -11.3159 -11.3159 -9.1580 -9.1580 -8.9474 -8.9474 -8.7570 -8.7570 -3.1999 -3.1999 -2.1422 -2.1422 -1.9575 -1.9575 -1.5832 -1.5832 -0.7391 -0.7391 0.1217 0.1217 0.4870 0.4870 1.1071 1.1071 2.1185 2.1185 2.2579 2.2579 2.4748 2.4748 2.5644 2.5644 2.7661 2.7661 3.0238 3.0238 3.3831 3.3831 4.4857 4.4857 4.9996 4.9996 5.1185 5.1185 12.1188 12.1188 12.3453 12.3453 12.5171 12.5171 13.2246 13.2246 13.3024 13.3024 k =-0.5000 0.3103 0.1794 ( 4318 PWs) bands (ev): -13.6530 -13.6530 -13.4871 -13.4871 -11.3386 -11.3386 -9.1082 -9.1082 -8.9519 -8.9519 -8.7561 -8.7561 -3.2590 -3.2590 -2.0951 -2.0951 -1.9076 -1.9076 -1.5753 -1.5753 -0.7675 -0.7675 0.0639 0.0639 0.4473 0.4473 1.0936 1.0936 2.1104 2.1104 2.2549 2.2549 2.4989 2.4989 2.5378 2.5378 2.8229 2.8229 3.0208 3.0208 3.3669 3.3669 4.4964 4.4964 5.0057 5.0057 5.1383 5.1383 12.0957 12.0957 12.3393 12.3393 12.5272 12.5272 13.2786 13.2786 13.3159 13.3159 k =-0.5000 0.3103 0.1631 ( 4314 PWs) bands (ev): -13.6556 -13.6556 -13.4854 -13.4854 -11.3593 -11.3593 -9.0613 -9.0613 -8.9560 -8.9560 -8.7553 -8.7553 -3.3150 -3.3150 -2.0477 -2.0477 -1.8583 -1.8583 -1.5681 -1.5681 -0.7929 -0.7929 0.0061 0.0061 0.4066 0.4066 1.0811 1.0811 2.1037 2.1037 2.2527 2.2527 2.5131 2.5131 2.5216 2.5216 2.8749 2.8749 3.0180 3.0180 3.3518 3.3518 4.5059 4.5059 5.0115 5.0115 5.1577 5.1577 12.0744 12.0744 12.3323 12.3323 12.5398 12.5398 13.2554 13.2554 13.3954 13.3954 k =-0.5000 0.3103 0.1468 ( 4318 PWs) bands (ev): -13.6580 -13.6580 -13.4838 -13.4838 -11.3781 -11.3781 -9.0176 -9.0176 -8.9598 -8.9598 -8.7547 -8.7547 -3.3674 -3.3674 -2.0007 -2.0007 -1.8103 -1.8103 -1.5617 -1.5617 -0.8156 -0.8156 -0.0511 -0.0511 0.3656 0.3656 1.0696 1.0696 2.0983 2.0983 2.2512 2.2512 2.4909 2.4909 2.5421 2.5421 2.9221 2.9221 3.0155 3.0155 3.3377 3.3377 4.5142 4.5142 5.0168 5.0168 5.1766 5.1766 12.0549 12.0549 12.3248 12.3248 12.5549 12.5549 13.2329 13.2329 13.4604 13.4604 k =-0.5000 0.3103 0.1305 ( 4318 PWs) bands (ev): -13.6601 -13.6601 -13.4824 -13.4824 -11.3949 -11.3949 -8.9775 -8.9775 -8.9633 -8.9633 -8.7541 -8.7541 -3.4158 -3.4158 -1.9547 -1.9547 -1.7642 -1.7642 -1.5560 -1.5560 -0.8356 -0.8356 -0.1067 -0.1067 0.3252 0.3252 1.0593 1.0593 2.0941 2.0941 2.2504 2.2504 2.4707 2.4707 2.5608 2.5608 2.9644 2.9644 3.0133 3.0133 3.3249 3.3249 4.5214 4.5214 5.0217 5.0217 5.1944 5.1944 12.0374 12.0374 12.3174 12.3174 12.5724 12.5724 13.2117 13.2117 13.4124 13.4124 k =-0.5000 0.3103 0.1142 ( 4314 PWs) bands (ev): -13.6620 -13.6620 -13.4812 -13.4812 -11.4098 -11.4098 -8.9664 -8.9664 -8.9412 -8.9412 -8.7536 -8.7536 -3.4597 -3.4597 -1.9104 -1.9104 -1.7205 -1.7205 -1.5510 -1.5510 -0.8529 -0.8529 -0.1600 -0.1600 0.2861 0.2861 1.0501 1.0501 2.0910 2.0910 2.2501 2.2501 2.4527 2.4527 2.5775 2.5775 3.0016 3.0016 3.0114 3.0114 3.3133 3.3133 4.5276 4.5276 5.0261 5.0261 5.2111 5.2111 12.0219 12.0219 12.3105 12.3105 12.5923 12.5923 13.1919 13.1919 13.3498 13.3498 k =-0.5000 0.3103 0.0978 ( 4322 PWs) bands (ev): -13.6637 -13.6637 -13.4801 -13.4801 -11.4227 -11.4227 -8.9691 -8.9691 -8.9090 -8.9090 -8.7532 -8.7532 -3.4987 -3.4987 -1.8686 -1.8686 -1.6802 -1.6802 -1.5467 -1.5467 -0.8678 -0.8678 -0.2098 -0.2098 0.2492 0.2492 1.0421 1.0421 2.0889 2.0889 2.2501 2.2501 2.4368 2.4368 2.5922 2.5922 3.0096 3.0096 3.0340 3.0340 3.3031 3.3031 4.5328 4.5328 5.0300 5.0300 5.2262 5.2262 12.0084 12.0084 12.3042 12.3042 12.6142 12.6142 13.1740 13.1740 13.2900 13.2900 k =-0.5000 0.3103 0.0815 ( 4326 PWs) bands (ev): -13.6651 -13.6651 -13.4792 -13.4792 -11.4337 -11.4337 -8.9714 -8.9714 -8.8813 -8.8813 -8.7529 -8.7529 -3.5324 -3.5324 -1.8305 -1.8305 -1.6440 -1.6440 -1.5431 -1.5431 -0.8803 -0.8803 -0.2551 -0.2551 0.2157 0.2157 1.0353 1.0353 2.0876 2.0876 2.2503 2.2503 2.4231 2.4231 2.6047 2.6047 3.0081 3.0081 3.0612 3.0612 3.2944 3.2944 4.5371 4.5371 5.0333 5.0333 5.2396 5.2396 11.9969 11.9969 12.2987 12.2987 12.6376 12.6376 13.1581 13.1581 13.2339 13.2339 k =-0.5000 0.3103 0.0652 ( 4312 PWs) bands (ev): -13.6663 -13.6663 -13.4784 -13.4784 -11.4427 -11.4427 -8.9733 -8.9733 -8.8583 -8.8583 -8.7526 -8.7526 -3.5605 -3.5605 -1.7969 -1.7969 -1.6129 -1.6129 -1.5401 -1.5401 -0.8904 -0.8904 -0.2946 -0.2946 0.1864 0.1864 1.0297 1.0297 2.0868 2.0868 2.2507 2.2507 2.4118 2.4118 2.6150 2.6150 3.0069 3.0069 3.0835 3.0835 3.2871 3.2871 4.5405 4.5405 5.0361 5.0361 5.2509 5.2509 11.9875 11.9875 12.2941 12.2941 12.6617 12.6617 13.1442 13.1442 13.1832 13.1832 k =-0.5000 0.3103 0.0489 ( 4318 PWs) bands (ev): -13.6672 -13.6672 -13.4778 -13.4778 -11.4496 -11.4496 -8.9748 -8.9748 -8.8401 -8.8401 -8.7524 -8.7524 -3.5826 -3.5826 -1.7692 -1.7692 -1.5875 -1.5875 -1.5377 -1.5377 -0.8982 -0.8982 -0.3271 -0.3271 0.1624 0.1624 1.0254 1.0254 2.0865 2.0865 2.2511 2.2511 2.4029 2.4029 2.6231 2.6231 3.0060 3.0060 3.1008 3.1008 3.2814 3.2814 4.5432 4.5432 5.0383 5.0383 5.2599 5.2599 11.9802 11.9802 12.2905 12.2905 12.6851 12.6851 13.1278 13.1278 13.1441 13.1441 k =-0.5000 0.3103 0.0326 ( 4306 PWs) bands (ev): -13.6678 -13.6678 -13.4774 -13.4774 -11.4546 -11.4546 -8.9759 -8.9759 -8.8270 -8.8270 -8.7522 -8.7522 -3.5986 -3.5986 -1.7483 -1.7483 -1.5689 -1.5689 -1.5360 -1.5360 -0.9037 -0.9037 -0.3513 -0.3513 0.1445 0.1445 1.0223 1.0223 2.0864 2.0864 2.2515 2.2515 2.3964 2.3964 2.6289 2.6289 3.0053 3.0053 3.1132 3.1132 3.2773 3.2773 4.5450 4.5450 5.0398 5.0398 5.2665 5.2665 11.9749 11.9749 12.2880 12.2880 12.7056 12.7056 13.0979 13.0979 13.1302 13.1302 k =-0.5000 0.3103 0.0163 ( 4312 PWs) bands (ev): -13.6682 -13.6682 -13.4772 -13.4772 -11.4576 -11.4576 -8.9765 -8.9765 -8.8191 -8.8191 -8.7522 -8.7522 -3.6083 -3.6083 -1.7354 -1.7354 -1.5575 -1.5575 -1.5348 -1.5348 -0.9070 -0.9070 -0.3664 -0.3664 0.1335 0.1335 1.0204 1.0204 2.0864 2.0864 2.2517 2.2517 2.3925 2.3925 2.6324 2.6324 3.0048 3.0048 3.1206 3.1206 3.2748 3.2748 4.5461 4.5461 5.0408 5.0408 5.2705 5.2705 11.9718 11.9718 12.2864 12.2864 12.7201 12.7201 13.0747 13.0747 13.1248 13.1248 k =-0.5000 0.3103 0.0000 ( 4310 PWs) bands (ev): -13.6684 -13.6684 -13.4771 -13.4771 -11.4586 -11.4586 -8.9767 -8.9767 -8.8165 -8.8165 -8.7521 -8.7521 -3.6115 -3.6115 -1.7310 -1.7310 -1.5538 -1.5538 -1.5344 -1.5344 -0.9081 -0.9081 -0.3715 -0.3715 0.1298 0.1298 1.0198 1.0198 2.0864 2.0864 2.2518 2.2518 2.3912 2.3912 2.6336 2.6336 3.0047 3.0047 3.1230 3.1230 3.2740 3.2740 4.5465 4.5465 5.0411 5.0411 5.2718 5.2718 11.9707 11.9707 12.2859 12.2859 12.7255 12.7255 13.0663 13.0663 13.1231 13.1231 k = 0.0000 0.0000 0.5381 ( 4340 PWs) bands (ev): -13.6862 -13.6862 -13.6862 -13.6862 -10.0317 -10.0317 -10.0317 -10.0317 -8.8201 -8.8201 -8.8201 -8.8201 -4.0788 -4.0788 -4.0788 -4.0788 -0.5971 -0.5971 -0.5971 -0.5971 -0.1070 -0.1070 -0.1070 -0.1070 0.7219 0.7219 0.7219 0.7219 1.9664 1.9664 1.9664 1.9664 2.4617 2.4617 2.4617 2.4617 3.5421 3.5421 3.5421 3.5421 4.0699 4.0699 4.0699 4.0699 5.2932 5.2932 5.2932 5.2932 11.4643 11.4643 11.4643 11.4643 12.0829 12.0829 12.0829 12.0829 12.8780 12.8780 k =-0.0139 0.0086 0.5381 ( 4344 PWs) bands (ev): -13.6860 -13.6860 -13.6860 -13.6860 -10.0326 -10.0326 -10.0325 -10.0325 -8.8201 -8.8201 -8.8200 -8.8200 -4.0772 -4.0772 -4.0770 -4.0770 -0.5999 -0.5999 -0.5997 -0.5997 -0.1050 -0.1050 -0.1047 -0.1047 0.7230 0.7230 0.7232 0.7232 1.9625 1.9625 1.9628 1.9628 2.4646 2.4646 2.4650 2.4650 3.5412 3.5412 3.5413 3.5413 4.0684 4.0684 4.0686 4.0686 5.2931 5.2931 5.2931 5.2931 11.4639 11.4639 11.4642 11.4642 12.0849 12.0849 12.0856 12.0856 12.8783 12.8784 k =-0.0278 0.0172 0.5381 ( 4344 PWs) bands (ev): -13.6853 -13.6853 -13.6853 -13.6853 -10.0351 -10.0351 -10.0350 -10.0350 -8.8201 -8.8201 -8.8198 -8.8198 -4.0722 -4.0722 -4.0717 -4.0717 -0.6080 -0.6080 -0.6076 -0.6076 -0.0988 -0.0988 -0.0983 -0.0983 0.7266 0.7266 0.7269 0.7269 1.9516 1.9516 1.9522 1.9522 2.4735 2.4735 2.4743 2.4743 3.5387 3.5387 3.5389 3.5389 4.0642 4.0642 4.0646 4.0646 5.2925 5.2925 5.2925 5.2925 11.4631 11.4631 11.4637 11.4637 12.0916 12.0916 12.0930 12.0930 12.8796 12.8796 k =-0.0417 0.0259 0.5381 ( 4344 PWs) bands (ev): -13.6843 -13.6843 -13.6842 -13.6842 -10.0392 -10.0392 -10.0391 -10.0391 -8.8199 -8.8199 -8.8195 -8.8195 -4.0638 -4.0638 -4.0630 -4.0630 -0.6210 -0.6210 -0.6205 -0.6205 -0.0886 -0.0886 -0.0879 -0.0879 0.7325 0.7325 0.7329 0.7329 1.9343 1.9343 1.9352 1.9352 2.4876 2.4876 2.4887 2.4887 3.5345 3.5345 3.5347 3.5347 4.0574 4.0574 4.0580 4.0580 5.2915 5.2915 5.2915 5.2915 11.4621 11.4621 11.4629 11.4629 12.1027 12.1027 12.1048 12.1048 12.8816 12.8817 k =-0.0556 0.0345 0.5381 ( 4332 PWs) bands (ev): -13.6827 -13.6827 -13.6826 -13.6826 -10.0450 -10.0450 -10.0448 -10.0448 -8.8196 -8.8196 -8.8191 -8.8191 -4.0521 -4.0521 -4.0510 -4.0510 -0.6386 -0.6386 -0.6379 -0.6379 -0.0750 -0.0750 -0.0741 -0.0741 0.7407 0.7407 0.7413 0.7413 1.9116 1.9116 1.9127 1.9127 2.5060 2.5060 2.5074 2.5074 3.5287 3.5287 3.5290 3.5290 4.0482 4.0482 4.0490 4.0490 5.2900 5.2900 5.2900 5.2900 11.4610 11.4610 11.4621 11.4621 12.1181 12.1181 12.1208 12.1208 12.8845 12.8846 k =-0.0694 0.0431 0.5381 ( 4334 PWs) bands (ev): -13.6808 -13.6808 -13.6807 -13.6807 -10.0522 -10.0522 -10.0520 -10.0520 -8.8192 -8.8192 -8.8186 -8.8186 -4.0369 -4.0369 -4.0356 -4.0356 -0.6602 -0.6602 -0.6593 -0.6593 -0.0584 -0.0584 -0.0573 -0.0573 0.7512 0.7512 0.7519 0.7519 1.8845 1.8845 1.8857 1.8857 2.5276 2.5276 2.5292 2.5292 3.5212 3.5212 3.5216 3.5216 4.0368 4.0368 4.0378 4.0378 5.2879 5.2879 5.2879 5.2879 11.4600 11.4600 11.4614 11.4614 12.1372 12.1372 12.1405 12.1405 12.8882 12.8882 k =-0.0833 0.0517 0.5381 ( 4334 PWs) bands (ev): -13.6785 -13.6785 -13.6783 -13.6783 -10.0610 -10.0610 -10.0607 -10.0607 -8.8188 -8.8188 -8.8181 -8.8181 -4.0185 -4.0185 -4.0169 -4.0169 -0.6853 -0.6853 -0.6843 -0.6843 -0.0392 -0.0392 -0.0379 -0.0379 0.7638 0.7638 0.7646 0.7646 1.8537 1.8537 1.8552 1.8552 2.5515 2.5515 2.5534 2.5534 3.5120 3.5120 3.5125 3.5125 4.0236 4.0236 4.0247 4.0247 5.2849 5.2849 5.2850 5.2850 11.4596 11.4596 11.4611 11.4611 12.1597 12.1597 12.1637 12.1637 12.8927 12.8927 k =-0.0972 0.0603 0.5381 ( 4330 PWs) bands (ev): -13.6757 -13.6757 -13.6756 -13.6756 -10.0711 -10.0711 -10.0708 -10.0708 -8.8184 -8.8184 -8.8175 -8.8175 -3.9969 -3.9969 -3.9950 -3.9950 -0.7135 -0.7135 -0.7125 -0.7125 -0.0177 -0.0177 -0.0164 -0.0164 0.7785 0.7785 0.7795 0.7795 1.8202 1.8202 1.8217 1.8217 2.5770 2.5770 2.5790 2.5790 3.5012 3.5012 3.5018 3.5018 4.0088 4.0088 4.0101 4.0101 5.2811 5.2811 5.2812 5.2812 11.4598 11.4598 11.4615 11.4615 12.1852 12.1852 12.1898 12.1898 12.8979 12.8979 k =-0.1111 0.0690 0.5381 ( 4334 PWs) bands (ev): -13.6726 -13.6726 -13.6725 -13.6725 -10.0825 -10.0825 -10.0822 -10.0822 -8.8179 -8.8179 -8.8169 -8.8169 -3.9720 -3.9720 -3.9700 -3.9700 -0.7445 -0.7445 -0.7433 -0.7433 0.0056 0.0056 0.0070 0.0070 0.7951 0.7951 0.7962 0.7962 1.7843 1.7843 1.7860 1.7860 2.6033 2.6033 2.6055 2.6055 3.4889 3.4889 3.4895 3.4895 3.9928 3.9928 3.9943 3.9943 5.2762 5.2762 5.2763 5.2763 11.4609 11.4609 11.4627 11.4627 12.2132 12.2132 12.2183 12.2183 12.9038 12.9038 k =-0.1250 0.0776 0.5381 ( 4340 PWs) bands (ev): -13.6692 -13.6692 -13.6690 -13.6690 -10.0951 -10.0951 -10.0947 -10.0947 -8.8174 -8.8174 -8.8164 -8.8164 -3.9441 -3.9441 -3.9418 -3.9418 -0.7779 -0.7779 -0.7767 -0.7767 0.0305 0.0305 0.0320 0.0320 0.8136 0.8136 0.8149 0.8149 1.7467 1.7467 1.7484 1.7484 2.6298 2.6298 2.6322 2.6322 3.4749 3.4749 3.4756 3.4756 3.9760 3.9760 3.9777 3.9777 5.2701 5.2701 5.2703 5.2703 11.4630 11.4630 11.4650 11.4650 12.2431 12.2431 12.2488 12.2488 12.9105 12.9105 k =-0.1389 0.0862 0.5381 ( 4340 PWs) bands (ev): -13.6654 -13.6654 -13.6652 -13.6652 -10.1087 -10.1087 -10.1083 -10.1083 -8.8170 -8.8170 -8.8159 -8.8159 -3.9131 -3.9131 -3.9106 -3.9106 -0.8135 -0.8135 -0.8122 -0.8122 0.0567 0.0567 0.0582 0.0582 0.8339 0.8339 0.8353 0.8353 1.7076 1.7076 1.7094 1.7094 2.6562 2.6562 2.6587 2.6587 3.4595 3.4595 3.4603 3.4603 3.9589 3.9589 3.9607 3.9607 5.2628 5.2628 5.2630 5.2630 11.4663 11.4663 11.4683 11.4683 12.2746 12.2746 12.2808 12.2808 12.9181 12.9181 k =-0.1528 0.0948 0.5381 ( 4334 PWs) bands (ev): -13.6613 -13.6613 -13.6611 -13.6611 -10.1233 -10.1233 -10.1229 -10.1229 -8.8165 -8.8165 -8.8154 -8.8154 -3.8792 -3.8792 -3.8765 -3.8765 -0.8512 -0.8512 -0.8497 -0.8497 0.0841 0.0841 0.0856 0.0856 0.8559 0.8559 0.8573 0.8573 1.6676 1.6676 1.6694 1.6694 2.6818 2.6818 2.6844 2.6844 3.4427 3.4427 3.4436 3.4436 3.9417 3.9417 3.9437 3.9437 5.2541 5.2541 5.2544 5.2544 11.4708 11.4708 11.4729 11.4729 12.3071 12.3071 12.3139 12.3139 12.9266 12.9266 k =-0.1667 0.1034 0.5381 ( 4340 PWs) bands (ev): -13.6569 -13.6569 -13.6567 -13.6567 -10.1386 -10.1386 -10.1383 -10.1383 -8.8162 -8.8162 -8.8150 -8.8150 -3.8424 -3.8424 -3.8395 -3.8395 -0.8906 -0.8906 -0.8891 -0.8891 0.1123 0.1123 0.1139 0.1139 0.8794 0.8794 0.8809 0.8809 1.6267 1.6267 1.6287 1.6287 2.7063 2.7063 2.7090 2.7090 3.4247 3.4247 3.4256 3.4256 3.9248 3.9248 3.9269 3.9269 5.2440 5.2440 5.2444 5.2444 11.4765 11.4765 11.4787 11.4787 12.3401 12.3401 12.3474 12.3474 12.9362 12.9362 k =-0.1806 0.1120 0.5381 ( 4340 PWs) bands (ev): -13.6523 -13.6523 -13.6520 -13.6520 -10.1547 -10.1547 -10.1543 -10.1543 -8.8159 -8.8159 -8.8146 -8.8146 -3.8030 -3.8030 -3.7999 -3.7999 -0.9318 -0.9318 -0.9302 -0.9302 0.1413 0.1413 0.1430 0.1430 0.9043 0.9043 0.9059 0.9059 1.5855 1.5855 1.5875 1.5875 2.7291 2.7291 2.7320 2.7320 3.4056 3.4056 3.4066 3.4066 3.9087 3.9087 3.9109 3.9109 5.2325 5.2325 5.2330 5.2330 11.4834 11.4834 11.4857 11.4857 12.3730 12.3730 12.3809 12.3809 12.9472 12.9472 k =-0.1944 0.1207 0.5381 ( 4342 PWs) bands (ev): -13.6474 -13.6474 -13.6471 -13.6471 -10.1713 -10.1713 -10.1709 -10.1709 -8.8156 -8.8156 -8.8144 -8.8144 -3.7609 -3.7609 -3.7576 -3.7576 -0.9746 -0.9746 -0.9729 -0.9729 0.1709 0.1709 0.1725 0.1725 0.9304 0.9304 0.9322 0.9322 1.5442 1.5442 1.5463 1.5463 2.7498 2.7498 2.7528 2.7528 3.3857 3.3857 3.3867 3.3867 3.8936 3.8936 3.8959 3.8959 5.2196 5.2196 5.2202 5.2202 11.4915 11.4915 11.4938 11.4938 12.4054 12.4054 12.4138 12.4138 12.9599 12.9599 k =-0.2083 0.1293 0.5381 ( 4338 PWs) bands (ev): -13.6424 -13.6424 -13.6421 -13.6421 -10.1884 -10.1884 -10.1879 -10.1879 -8.8155 -8.8155 -8.8142 -8.8142 -3.7163 -3.7163 -3.7129 -3.7129 -1.0189 -1.0189 -1.0171 -1.0171 0.2009 0.2009 0.2025 0.2025 0.9576 0.9576 0.9596 0.9596 1.5032 1.5032 1.5054 1.5054 2.7678 2.7678 2.7710 2.7710 3.3652 3.3652 3.3664 3.3664 3.8798 3.8798 3.8821 3.8821 5.2054 5.2054 5.2061 5.2061 11.5007 11.5007 11.5030 11.5030 12.4365 12.4365 12.4454 12.4454 12.9747 12.9747 k =-0.2222 0.1379 0.5381 ( 4328 PWs) bands (ev): -13.6372 -13.6372 -13.6369 -13.6369 -10.2057 -10.2057 -10.2053 -10.2053 -8.8154 -8.8154 -8.8141 -8.8141 -3.6693 -3.6693 -3.6658 -3.6658 -1.0646 -1.0646 -1.0627 -1.0627 0.2310 0.2310 0.2327 0.2327 0.9856 0.9856 0.9877 0.9877 1.4630 1.4630 1.4654 1.4654 2.7827 2.7827 2.7859 2.7859 3.3446 3.3446 3.3459 3.3459 3.8677 3.8677 3.8700 3.8700 5.1899 5.1899 5.1907 5.1907 11.5109 11.5109 11.5132 11.5132 12.4658 12.4658 12.4752 12.4752 12.9921 12.9921 k =-0.2361 0.1465 0.5381 ( 4320 PWs) bands (ev): -13.6319 -13.6319 -13.6316 -13.6316 -10.2232 -10.2232 -10.2227 -10.2227 -8.8155 -8.8155 -8.8142 -8.8142 -3.6202 -3.6202 -3.6165 -3.6165 -1.1117 -1.1117 -1.1097 -1.1097 0.2612 0.2612 0.2629 0.2629 1.0137 1.0137 1.0161 1.0161 1.4245 1.4245 1.4270 1.4270 2.7937 2.7937 2.7971 2.7971 3.3241 3.3241 3.3256 3.3256 3.8574 3.8574 3.8597 3.8597 5.1733 5.1733 5.1741 5.1741 11.5218 11.5218 11.5242 11.5242 12.4928 12.4928 12.5026 12.5026 13.0123 13.0123 k =-0.2500 0.1551 0.5381 ( 4320 PWs) bands (ev): -13.6265 -13.6265 -13.6262 -13.6262 -10.2407 -10.2407 -10.2402 -10.2402 -8.8156 -8.8156 -8.8143 -8.8143 -3.5689 -3.5689 -3.5652 -3.5652 -1.1601 -1.1601 -1.1580 -1.1580 0.2912 0.2912 0.2929 0.2929 1.0411 1.0411 1.0438 1.0438 1.3886 1.3886 1.3913 1.3913 2.8005 2.8005 2.8038 2.8038 3.3043 3.3043 3.3060 3.3060 3.8491 3.8491 3.8514 3.8514 5.1555 5.1555 5.1565 5.1565 11.5335 11.5335 11.5359 11.5359 12.5169 12.5169 12.5270 12.5270 13.0358 13.0358 k =-0.2639 0.1638 0.5381 ( 4324 PWs) bands (ev): -13.6211 -13.6211 -13.6208 -13.6208 -10.2581 -10.2581 -10.2576 -10.2576 -8.8158 -8.8158 -8.8145 -8.8145 -3.5157 -3.5157 -3.5119 -3.5119 -1.2097 -1.2097 -1.2076 -1.2076 0.3209 0.3209 0.3226 0.3226 1.0661 1.0661 1.0690 1.0690 1.3572 1.3572 1.3601 1.3601 2.8023 2.8023 2.8057 2.8057 3.2857 3.2857 3.2876 3.2876 3.8430 3.8430 3.8453 3.8453 5.1369 5.1369 5.1380 5.1380 11.5457 11.5457 11.5481 11.5481 12.5380 12.5380 12.5482 12.5482 13.0627 13.0627 k =-0.2778 0.1724 0.5381 ( 4328 PWs) bands (ev): -13.6157 -13.6157 -13.6154 -13.6154 -10.2752 -10.2752 -10.2748 -10.2748 -8.8161 -8.8161 -8.8148 -8.8148 -3.4608 -3.4608 -3.4569 -3.4569 -1.2605 -1.2605 -1.2583 -1.2583 0.3501 0.3501 0.3518 0.3518 1.0856 1.0856 1.0889 1.0889 1.3336 1.3336 1.3367 1.3367 2.7988 2.7988 2.8022 2.8022 3.2685 3.2685 3.2706 3.2706 3.8393 3.8393 3.8415 3.8415 5.1176 5.1176 5.1187 5.1187 11.5582 11.5582 11.5607 11.5607 12.5558 12.5558 12.5662 12.5662 13.0929 13.0929 k =-0.2917 0.1810 0.5381 ( 4324 PWs) bands (ev): -13.6103 -13.6103 -13.6100 -13.6100 -10.2920 -10.2920 -10.2916 -10.2916 -8.8164 -8.8164 -8.8152 -8.8152 -3.4043 -3.4043 -3.4003 -3.4003 -1.3125 -1.3125 -1.3102 -1.3102 0.3787 0.3787 0.3804 0.3804 1.0955 1.0955 1.0990 1.0990 1.3222 1.3222 1.3253 1.3253 2.7898 2.7898 2.7932 2.7932 3.2532 3.2532 3.2553 3.2553 3.8378 3.8378 3.8399 3.8399 5.0977 5.0977 5.0989 5.0989 11.5711 11.5711 11.5735 11.5735 12.5705 12.5705 12.5808 12.5808 13.1262 13.1262 k =-0.3056 0.1896 0.5381 ( 4316 PWs) bands (ev): -13.6050 -13.6050 -13.6048 -13.6048 -10.3083 -10.3083 -10.3079 -10.3079 -8.8168 -8.8168 -8.8157 -8.8157 -3.3464 -3.3464 -3.3424 -3.3424 -1.3654 -1.3654 -1.3631 -1.3631 0.4065 0.4065 0.4083 0.4083 1.0925 1.0925 1.0958 1.0958 1.3267 1.3267 1.3295 1.3295 2.7752 2.7752 2.7785 2.7785 3.2397 3.2397 3.2420 3.2420 3.8385 3.8385 3.8406 3.8406 5.0775 5.0775 5.0787 5.0787 11.5840 11.5840 11.5864 11.5864 12.5823 12.5823 12.5925 12.5925 13.1620 13.1620 k =-0.3194 0.1982 0.5381 ( 4320 PWs) bands (ev): -13.5999 -13.5999 -13.5996 -13.5996 -10.3241 -10.3241 -10.3237 -10.3237 -8.8173 -8.8173 -8.8162 -8.8162 -3.2874 -3.2874 -3.2833 -3.2833 -1.4193 -1.4193 -1.4169 -1.4169 0.4334 0.4334 0.4353 0.4353 1.0774 1.0774 1.0804 1.0804 1.3459 1.3459 1.3482 1.3482 2.7554 2.7554 2.7585 2.7585 3.2282 3.2282 3.2304 3.2304 3.8414 3.8414 3.8434 3.8434 5.0571 5.0571 5.0584 5.0584 11.5968 11.5968 11.5993 11.5993 12.5916 12.5916 12.6016 12.6016 13.1996 13.1996 k =-0.3333 0.2069 0.5381 ( 4316 PWs) bands (ev): -13.5949 -13.5949 -13.5947 -13.5947 -10.3391 -10.3391 -10.3387 -10.3387 -8.8178 -8.8178 -8.8168 -8.8168 -3.2274 -3.2274 -3.2234 -3.2234 -1.4740 -1.4740 -1.4715 -1.4715 0.4595 0.4595 0.4613 0.4613 1.0544 1.0544 1.0573 1.0573 1.3756 1.3756 1.3775 1.3775 2.7306 2.7306 2.7336 2.7336 3.2183 3.2183 3.2205 3.2205 3.8462 3.8462 3.8480 3.8480 5.0368 5.0368 5.0381 5.0381 11.6094 11.6094 11.6119 11.6119 12.5988 12.5988 12.6084 12.6084 13.2382 13.2382 k =-0.3472 0.2155 0.5381 ( 4320 PWs) bands (ev): -13.5902 -13.5902 -13.5900 -13.5900 -10.3533 -10.3533 -10.3530 -10.3530 -8.8183 -8.8183 -8.8173 -8.8173 -3.1668 -3.1668 -3.1628 -3.1628 -1.5293 -1.5293 -1.5267 -1.5267 0.4845 0.4845 0.4864 0.4864 1.0274 1.0274 1.0301 1.0301 1.4117 1.4117 1.4134 1.4134 2.7016 2.7016 2.7043 2.7043 3.2098 3.2098 3.2120 3.2120 3.8526 3.8526 3.8543 3.8543 5.0168 5.0168 5.0181 5.0181 11.6217 11.6217 11.6241 11.6241 12.6043 12.6043 12.6134 12.6134 13.2768 13.2768 k =-0.3611 0.2241 0.5381 ( 4324 PWs) bands (ev): -13.5857 -13.5857 -13.5855 -13.5855 -10.3667 -10.3667 -10.3664 -10.3664 -8.8188 -8.8188 -8.8179 -8.8179 -3.1058 -3.1058 -3.1018 -3.1018 -1.5850 -1.5850 -1.5824 -1.5824 0.5085 0.5085 0.5104 0.5104 0.9988 0.9988 1.0013 1.0013 1.4519 1.4519 1.4534 1.4534 2.6689 2.6689 2.6715 2.6715 3.2026 3.2026 3.2046 3.2046 3.8603 3.8603 3.8619 3.8619 4.9974 4.9974 4.9987 4.9987 11.6335 11.6335 11.6358 11.6358 12.6084 12.6084 12.6170 12.6170 13.3145 13.3145 k =-0.3750 0.2327 0.5381 ( 4332 PWs) bands (ev): -13.5815 -13.5815 -13.5813 -13.5813 -10.3790 -10.3790 -10.3787 -10.3787 -8.8193 -8.8193 -8.8185 -8.8185 -3.0449 -3.0449 -3.0410 -3.0410 -1.6408 -1.6408 -1.6382 -1.6382 0.5315 0.5315 0.5334 0.5334 0.9698 0.9698 0.9723 0.9723 1.4944 1.4944 1.4958 1.4958 2.6335 2.6335 2.6359 2.6359 3.1963 3.1963 3.1982 3.1982 3.8690 3.8690 3.8704 3.8704 4.9788 4.9788 4.9800 4.9800 11.6446 11.6446 11.6468 11.6468 12.6114 12.6114 12.6195 12.6195 13.3502 13.3502 k =-0.3889 0.2413 0.5381 ( 4338 PWs) bands (ev): -13.5777 -13.5777 -13.5775 -13.5775 -10.3903 -10.3903 -10.3901 -10.3901 -8.8198 -8.8198 -8.8191 -8.8191 -2.9845 -2.9845 -2.9807 -2.9807 -1.6964 -1.6964 -1.6937 -1.6937 0.5534 0.5534 0.5554 0.5554 0.9415 0.9415 0.9439 0.9439 1.5382 1.5382 1.5396 1.5396 2.5960 2.5960 2.5982 2.5982 3.1909 3.1909 3.1926 3.1926 3.8782 3.8782 3.8795 3.8795 4.9612 4.9612 4.9623 4.9623 11.6550 11.6550 11.6571 11.6571 12.6137 12.6137 12.6211 12.6211 13.3827 13.3827 k =-0.4028 0.2499 0.5381 ( 4338 PWs) bands (ev): -13.5742 -13.5742 -13.5740 -13.5740 -10.4005 -10.4005 -10.4002 -10.4002 -8.8203 -8.8203 -8.8197 -8.8197 -2.9253 -2.9253 -2.9216 -2.9216 -1.7511 -1.7511 -1.7485 -1.7485 0.5743 0.5743 0.5763 0.5763 0.9141 0.9141 0.9165 0.9165 1.5823 1.5823 1.5837 1.5837 2.5573 2.5573 2.5594 2.5594 3.1861 3.1861 3.1876 3.1876 3.8875 3.8875 3.8888 3.8888 4.9449 4.9449 4.9460 4.9460 11.6645 11.6645 11.6664 11.6664 12.6155 12.6155 12.6222 12.6222 13.4111 13.4111 k =-0.4167 0.2586 0.5381 ( 4346 PWs) bands (ev): -13.5711 -13.5711 -13.5709 -13.5709 -10.4094 -10.4094 -10.4092 -10.4092 -8.8207 -8.8207 -8.8202 -8.8202 -2.8679 -2.8679 -2.8645 -2.8645 -1.8044 -1.8044 -1.8018 -1.8018 0.5942 0.5942 0.5962 0.5962 0.8882 0.8882 0.8906 0.8906 1.6258 1.6258 1.6271 1.6271 2.5185 2.5185 2.5204 2.5204 3.1820 3.1820 3.1833 3.1833 3.8967 3.8967 3.8977 3.8977 4.9301 4.9301 4.9311 4.9311 11.6730 11.6730 11.6747 11.6747 12.6169 12.6169 12.6228 12.6228 13.4346 13.4346 k =-0.4306 0.2672 0.5381 ( 4350 PWs) bands (ev): -13.5684 -13.5684 -13.5683 -13.5683 -10.4170 -10.4170 -10.4169 -10.4169 -8.8211 -8.8211 -8.8206 -8.8206 -2.8136 -2.8136 -2.8104 -2.8104 -1.8551 -1.8551 -1.8526 -1.8526 0.6130 0.6130 0.6150 0.6150 0.8640 0.8640 0.8663 0.8663 1.6675 1.6675 1.6688 1.6688 2.4807 2.4807 2.4824 2.4824 3.1785 3.1785 3.1796 3.1796 3.9051 3.9051 3.9061 3.9061 4.9171 4.9171 4.9180 4.9180 11.6805 11.6805 11.6819 11.6819 12.6181 12.6181 12.6231 12.6231 13.4528 13.4528 k =-0.4444 0.2758 0.5381 ( 4354 PWs) bands (ev): -13.5662 -13.5662 -13.5661 -13.5661 -10.4234 -10.4234 -10.4232 -10.4232 -8.8214 -8.8214 -8.8210 -8.8210 -2.7636 -2.7636 -2.7608 -2.7608 -1.9018 -1.9018 -1.8995 -1.8995 0.6306 0.6306 0.6325 0.6325 0.8418 0.8418 0.8440 0.8440 1.7061 1.7061 1.7072 1.7072 2.4453 2.4453 2.4468 2.4468 3.1757 3.1757 3.1766 3.1766 3.9127 3.9127 3.9134 3.9134 4.9061 4.9061 4.9069 4.9069 11.6867 11.6867 11.6879 11.6879 12.6190 12.6190 12.6231 12.6231 13.4659 13.4659 k =-0.4583 0.2844 0.5381 ( 4360 PWs) bands (ev): -13.5644 -13.5644 -13.5643 -13.5643 -10.4283 -10.4283 -10.4282 -10.4282 -8.8216 -8.8216 -8.8214 -8.8214 -2.7201 -2.7201 -2.7178 -2.7178 -1.9426 -1.9426 -1.9407 -1.9407 0.6465 0.6465 0.6483 0.6483 0.8223 0.8223 0.8242 0.8242 1.7398 1.7398 1.7407 1.7407 2.4142 2.4142 2.4154 2.4154 3.1734 3.1734 3.1741 3.1741 3.9189 3.9189 3.9194 3.9194 4.8974 4.8974 4.8979 4.8979 11.6917 11.6917 11.6926 11.6926 12.6199 12.6199 12.6230 12.6230 13.4748 13.4748 k =-0.4722 0.2930 0.5381 ( 4368 PWs) bands (ev): -13.5631 -13.5631 -13.5631 -13.5631 -10.4319 -10.4319 -10.4318 -10.4318 -8.8218 -8.8218 -8.8216 -8.8216 -2.6856 -2.6856 -2.6839 -2.6839 -1.9748 -1.9748 -1.9734 -1.9734 0.6601 0.6601 0.6615 0.6615 0.8063 0.8063 0.8079 0.8079 1.7664 1.7664 1.7671 1.7671 2.3895 2.3895 2.3904 2.3904 3.1718 3.1718 3.1723 3.1723 3.9235 3.9235 3.9239 3.9239 4.8910 4.8910 4.8914 4.8914 11.6953 11.6953 11.6960 11.6960 12.6206 12.6206 12.6228 12.6228 13.4804 13.4804 k =-0.4861 0.3017 0.5381 ( 4364 PWs) bands (ev): -13.5624 -13.5624 -13.5623 -13.5623 -10.4340 -10.4340 -10.4340 -10.4340 -8.8219 -8.8219 -8.8218 -8.8218 -2.6630 -2.6630 -2.6621 -2.6621 -1.9957 -1.9957 -1.9950 -1.9950 0.6698 0.6698 0.6706 0.6706 0.7956 0.7956 0.7964 0.7964 1.7838 1.7838 1.7842 1.7842 2.3735 2.3735 2.3739 2.3739 3.1709 3.1709 3.1712 3.1712 3.9265 3.9265 3.9266 3.9266 4.8872 4.8872 4.8874 4.8874 11.6976 11.6976 11.6979 11.6979 12.6213 12.6213 12.6224 12.6224 13.4836 13.4836 k =-0.5000 0.3103 0.5381 ( 4360 PWs) bands (ev): -13.5621 -13.5621 -13.5621 -13.5621 -10.4347 -10.4347 -10.4347 -10.4347 -8.8219 -8.8219 -8.8219 -8.8219 -2.6548 -2.6548 -2.6548 -2.6548 -2.0028 -2.0028 -2.0028 -2.0028 0.6737 0.6737 0.6737 0.6737 0.7919 0.7919 0.7919 0.7919 1.7900 1.7900 1.7900 1.7900 2.3681 2.3681 2.3681 2.3681 3.1707 3.1707 3.1707 3.1707 3.9275 3.9275 3.9275 3.9275 4.8860 4.8860 4.8860 4.8860 11.6985 11.6985 11.6985 11.6985 12.6219 12.6219 12.6219 12.6219 13.4851 13.4851 Writing output data file Si2N2O.save init_run : 4.20s CPU 13.63s WALL ( 1 calls) electrons : 1239.26s CPU 1250.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 1239.13s CPU 1249.97s WALL ( 1 calls) v_of_rho : 0.12s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.11s CPU 0.62s WALL ( 1 calls) newd : 0.50s CPU 0.61s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.20s WALL ( 374 calls) cegterg : 1180.02s CPU 1187.06s WALL ( 1235 calls) Called by sum_band: Called by *egterg: h_psi : 418.40s CPU 431.97s WALL ( 23377 calls) s_psi : 66.59s CPU 67.09s WALL ( 23377 calls) g_psi : 0.94s CPU 1.05s WALL ( 21768 calls) cdiaghg : 535.46s CPU 530.27s WALL ( 22142 calls) cegterg:over : 90.14s CPU 85.77s WALL ( 21768 calls) cegterg:upda : 19.28s CPU 25.47s WALL ( 21768 calls) cegterg:last : 15.64s CPU 16.60s WALL ( 2738 calls) Called by h_psi: h_psi:vloc : 279.09s CPU 290.01s WALL ( 23377 calls) h_psi:vnl : 138.94s CPU 140.59s WALL ( 23377 calls) add_vuspsi : 49.41s CPU 56.31s WALL ( 23377 calls) General routines calbec : 89.43s CPU 84.16s WALL ( 23377 calls) fft : 0.23s CPU 1.16s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 262.48s CPU 268.96s WALL ( 1814036 calls) interpolate : 0.01s CPU 0.06s WALL ( 4 calls) davcio : 0.02s CPU 3.29s WALL ( 748 calls) Parallel routines fft_scatter : 164.08s CPU 169.34s WALL ( 1814059 calls) PWSCF : 21m47.50s CPU 23m20.69s WALL This run was terminated on: 20:31: 2 28Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=