Program PWSCF v.5.1.1 starts on 3Nov2015 at 5:17:45 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: ./NaLi5N2.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 40 40 11 2174 2174 324 Max 41 41 12 2179 2179 331 Sum 1935 1935 543 104477 104477 15685 bravais-lattice index = 14 lattice parameter (alat) = 7.2943 a.u. unit-cell volume = 742.3509 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.294342 celldm(2)= 1.108808 celldm(3)= 1.725557 celldm(4)= 0.024918 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.108808 0.000000 ) a(3) = ( 0.000000 0.042998 1.725021 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.901869 -0.022480 ) b(3) = ( 0.000000 0.000000 0.579703 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 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 Li 3.00 6.94100 Li( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found 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 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s 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 s 2 -E -1 -s -2 Cartesian axes number of k points= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0000000 0.0120771), wk = 0.0032680 k( 3) = ( 0.0000000 0.0000000 0.0241543), wk = 0.0032680 k( 4) = ( 0.0000000 0.0000000 0.0362314), wk = 0.0032680 k( 5) = ( 0.0000000 0.0000000 0.0483086), wk = 0.0032680 k( 6) = ( 0.0000000 0.0000000 0.0603857), wk = 0.0032680 k( 7) = ( 0.0000000 0.0000000 0.0724629), wk = 0.0032680 k( 8) = ( 0.0000000 0.0000000 0.0845400), wk = 0.0032680 k( 9) = ( 0.0000000 0.0000000 0.0966172), wk = 0.0032680 k( 10) = ( 0.0000000 0.0000000 0.1086943), wk = 0.0032680 k( 11) = ( 0.0000000 0.0000000 0.1207715), wk = 0.0032680 k( 12) = ( 0.0000000 0.0000000 0.1328486), wk = 0.0032680 k( 13) = ( 0.0000000 0.0000000 0.1449258), wk = 0.0032680 k( 14) = ( 0.0000000 0.0000000 0.1570029), wk = 0.0032680 k( 15) = ( 0.0000000 0.0000000 0.1690801), wk = 0.0032680 k( 16) = ( 0.0000000 0.0000000 0.1811572), wk = 0.0032680 k( 17) = ( 0.0000000 0.0000000 0.1932344), wk = 0.0032680 k( 18) = ( 0.0000000 0.0000000 0.2053115), wk = 0.0032680 k( 19) = ( 0.0000000 0.0000000 0.2173887), wk = 0.0032680 k( 20) = ( 0.0000000 0.0000000 0.2294658), wk = 0.0032680 k( 21) = ( 0.0000000 0.0000000 0.2415430), wk = 0.0032680 k( 22) = ( 0.0000000 0.0000000 0.2536201), wk = 0.0032680 k( 23) = ( 0.0000000 0.0000000 0.2656973), wk = 0.0032680 k( 24) = ( 0.0000000 0.0000000 0.2777744), wk = 0.0032680 k( 25) = ( 0.0000000 0.0000000 0.2898516), wk = 0.0032680 k( 26) = ( 0.0000000 0.0000000 0.2898516), wk = 0.0032680 k( 27) = ( 0.0000000 0.0119997 0.2898516), wk = 0.0032680 k( 28) = ( 0.0000000 0.0239995 0.2898516), wk = 0.0032680 k( 29) = ( 0.0000000 0.0359992 0.2898516), wk = 0.0032680 k( 30) = ( 0.0000000 0.0479989 0.2898516), wk = 0.0032680 k( 31) = ( 0.0000000 0.0599986 0.2898516), wk = 0.0032680 k( 32) = ( 0.0000000 0.0719984 0.2898516), wk = 0.0032680 k( 33) = ( 0.0000000 0.0839981 0.2898516), wk = 0.0032680 k( 34) = ( 0.0000000 0.0959978 0.2898516), wk = 0.0032680 k( 35) = ( 0.0000000 0.1079976 0.2898516), wk = 0.0032680 k( 36) = ( 0.0000000 0.1199973 0.2898516), wk = 0.0032680 k( 37) = ( 0.0000000 0.1319970 0.2898516), wk = 0.0032680 k( 38) = ( 0.0000000 0.1439967 0.2898516), wk = 0.0032680 k( 39) = ( 0.0000000 0.1559965 0.2898516), wk = 0.0032680 k( 40) = ( 0.0000000 0.1679962 0.2898516), wk = 0.0032680 k( 41) = ( 0.0000000 0.1799959 0.2898516), wk = 0.0032680 k( 42) = ( 0.0000000 0.1919956 0.2898516), wk = 0.0032680 k( 43) = ( 0.0000000 0.2039954 0.2898516), wk = 0.0032680 k( 44) = ( 0.0000000 0.2159951 0.2898516), wk = 0.0032680 k( 45) = ( 0.0000000 0.2279948 0.2898516), wk = 0.0032680 k( 46) = ( 0.0000000 0.2399946 0.2898516), wk = 0.0032680 k( 47) = ( 0.0000000 0.2519943 0.2898516), wk = 0.0032680 k( 48) = ( 0.0000000 0.2639940 0.2898516), wk = 0.0032680 k( 49) = ( 0.0000000 0.2759937 0.2898516), wk = 0.0032680 k( 50) = ( 0.0000000 0.2879935 0.2898516), wk = 0.0032680 k( 51) = ( 0.0000000 0.2999932 0.2898516), wk = 0.0032680 k( 52) = ( 0.0000000 0.3119929 0.2898516), wk = 0.0032680 k( 53) = ( 0.0000000 0.3239927 0.2898516), wk = 0.0032680 k( 54) = ( 0.0000000 0.3359924 0.2898516), wk = 0.0032680 k( 55) = ( 0.0000000 0.3479921 0.2898516), wk = 0.0032680 k( 56) = ( 0.0000000 0.3599918 0.2898516), wk = 0.0032680 k( 57) = ( 0.0000000 0.3719916 0.2898516), wk = 0.0032680 k( 58) = ( 0.0000000 0.3839913 0.2898516), wk = 0.0032680 k( 59) = ( 0.0000000 0.3959910 0.2898516), wk = 0.0032680 k( 60) = ( 0.0000000 0.4079907 0.2898516), wk = 0.0032680 k( 61) = ( 0.0000000 0.4199905 0.2898516), wk = 0.0032680 k( 62) = ( 0.0000000 0.4319902 0.2898516), wk = 0.0032680 k( 63) = ( 0.0000000 0.4439899 0.2898516), wk = 0.0032680 k( 64) = ( 0.0000000 0.4439899 0.2898516), wk = 0.0032680 k( 65) = ( 0.0000000 0.4474623 0.2842316), wk = 0.0032680 k( 66) = ( 0.0000000 0.4509346 0.2786116), wk = 0.0032680 k( 67) = ( 0.0000000 0.4509346 0.2786116), wk = 0.0032680 k( 68) = ( 0.0121951 0.4509346 0.2786116), wk = 0.0032680 k( 69) = ( 0.0243902 0.4509346 0.2786116), wk = 0.0032680 k( 70) = ( 0.0365854 0.4509346 0.2786116), wk = 0.0032680 k( 71) = ( 0.0487805 0.4509346 0.2786116), wk = 0.0032680 k( 72) = ( 0.0609756 0.4509346 0.2786116), wk = 0.0032680 k( 73) = ( 0.0731707 0.4509346 0.2786116), wk = 0.0032680 k( 74) = ( 0.0853658 0.4509346 0.2786116), wk = 0.0032680 k( 75) = ( 0.0975610 0.4509346 0.2786116), wk = 0.0032680 k( 76) = ( 0.1097561 0.4509346 0.2786116), wk = 0.0032680 k( 77) = ( 0.1219512 0.4509346 0.2786116), wk = 0.0032680 k( 78) = ( 0.1341463 0.4509346 0.2786116), wk = 0.0032680 k( 79) = ( 0.1463415 0.4509346 0.2786116), wk = 0.0032680 k( 80) = ( 0.1585366 0.4509346 0.2786116), wk = 0.0032680 k( 81) = ( 0.1707317 0.4509346 0.2786116), wk = 0.0032680 k( 82) = ( 0.1829268 0.4509346 0.2786116), wk = 0.0032680 k( 83) = ( 0.1951219 0.4509346 0.2786116), wk = 0.0032680 k( 84) = ( 0.2073171 0.4509346 0.2786116), wk = 0.0032680 k( 85) = ( 0.2195122 0.4509346 0.2786116), wk = 0.0032680 k( 86) = ( 0.2317073 0.4509346 0.2786116), wk = 0.0032680 k( 87) = ( 0.2439024 0.4509346 0.2786116), wk = 0.0032680 k( 88) = ( 0.2560976 0.4509346 0.2786116), wk = 0.0032680 k( 89) = ( 0.2682927 0.4509346 0.2786116), wk = 0.0032680 k( 90) = ( 0.2804878 0.4509346 0.2786116), wk = 0.0032680 k( 91) = ( 0.2926829 0.4509346 0.2786116), wk = 0.0032680 k( 92) = ( 0.3048781 0.4509346 0.2786116), wk = 0.0032680 k( 93) = ( 0.3170732 0.4509346 0.2786116), wk = 0.0032680 k( 94) = ( 0.3292683 0.4509346 0.2786116), wk = 0.0032680 k( 95) = ( 0.3414634 0.4509346 0.2786116), wk = 0.0032680 k( 96) = ( 0.3536585 0.4509346 0.2786116), wk = 0.0032680 k( 97) = ( 0.3658537 0.4509346 0.2786116), wk = 0.0032680 k( 98) = ( 0.3780488 0.4509346 0.2786116), wk = 0.0032680 k( 99) = ( 0.3902439 0.4509346 0.2786116), wk = 0.0032680 k( 100) = ( 0.4024390 0.4509346 0.2786116), wk = 0.0032680 k( 101) = ( 0.4146341 0.4509346 0.2786116), wk = 0.0032680 k( 102) = ( 0.4268293 0.4509346 0.2786116), wk = 0.0032680 k( 103) = ( 0.4390244 0.4509346 0.2786116), wk = 0.0032680 k( 104) = ( 0.4512195 0.4509346 0.2786116), wk = 0.0032680 k( 105) = ( 0.4634146 0.4509346 0.2786116), wk = 0.0032680 k( 106) = ( 0.4756098 0.4509346 0.2786116), wk = 0.0032680 k( 107) = ( 0.4878049 0.4509346 0.2786116), wk = 0.0032680 k( 108) = ( 0.5000000 0.4509346 0.2786116), wk = 0.0032680 k( 109) = ( 0.5000000 0.4509346 0.2786116), wk = 0.0032680 k( 110) = ( 0.5000000 0.4544069 0.2729916), wk = 0.0032680 k( 111) = ( 0.5000000 0.4578792 0.2673717), wk = 0.0032680 k( 112) = ( 0.5000000 0.4578792 0.2673717), wk = 0.0032680 k( 113) = ( 0.5000000 0.4575773 0.2552581), wk = 0.0032680 k( 114) = ( 0.5000000 0.4572753 0.2431446), wk = 0.0032680 k( 115) = ( 0.5000000 0.4569734 0.2310310), wk = 0.0032680 k( 116) = ( 0.5000000 0.4566715 0.2189175), wk = 0.0032680 k( 117) = ( 0.5000000 0.4563695 0.2068039), wk = 0.0032680 k( 118) = ( 0.5000000 0.4560676 0.1946904), wk = 0.0032680 k( 119) = ( 0.5000000 0.4557656 0.1825768), wk = 0.0032680 k( 120) = ( 0.5000000 0.4554637 0.1704633), wk = 0.0032680 k( 121) = ( 0.5000000 0.4551618 0.1583497), wk = 0.0032680 k( 122) = ( 0.5000000 0.4548598 0.1462362), wk = 0.0032680 k( 123) = ( 0.5000000 0.4545579 0.1341226), wk = 0.0032680 k( 124) = ( 0.5000000 0.4542559 0.1220091), wk = 0.0032680 k( 125) = ( 0.5000000 0.4539540 0.1098955), wk = 0.0032680 k( 126) = ( 0.5000000 0.4536520 0.0977820), wk = 0.0032680 k( 127) = ( 0.5000000 0.4533501 0.0856684), wk = 0.0032680 k( 128) = ( 0.5000000 0.4530482 0.0735549), wk = 0.0032680 k( 129) = ( 0.5000000 0.4527462 0.0614413), wk = 0.0032680 k( 130) = ( 0.5000000 0.4524443 0.0493278), wk = 0.0032680 k( 131) = ( 0.5000000 0.4521423 0.0372142), wk = 0.0032680 k( 132) = ( 0.5000000 0.4518404 0.0251007), wk = 0.0032680 k( 133) = ( 0.5000000 0.4515385 0.0129871), wk = 0.0032680 k( 134) = ( 0.5000000 0.4512365 0.0008736), wk = 0.0032680 k( 135) = ( 0.5000000 0.4509346 -0.0112400), wk = 0.0032680 k( 136) = ( 0.5000000 0.4509346 -0.0112400), wk = 0.0032680 k( 137) = ( 0.4878049 0.4509346 -0.0112400), wk = 0.0032680 k( 138) = ( 0.4756098 0.4509346 -0.0112400), wk = 0.0032680 k( 139) = ( 0.4634146 0.4509346 -0.0112400), wk = 0.0032680 k( 140) = ( 0.4512195 0.4509346 -0.0112400), wk = 0.0032680 k( 141) = ( 0.4390244 0.4509346 -0.0112400), wk = 0.0032680 k( 142) = ( 0.4268293 0.4509346 -0.0112400), wk = 0.0032680 k( 143) = ( 0.4146341 0.4509346 -0.0112400), wk = 0.0032680 k( 144) = ( 0.4024390 0.4509346 -0.0112400), wk = 0.0032680 k( 145) = ( 0.3902439 0.4509346 -0.0112400), wk = 0.0032680 k( 146) = ( 0.3780488 0.4509346 -0.0112400), wk = 0.0032680 k( 147) = ( 0.3658537 0.4509346 -0.0112400), wk = 0.0032680 k( 148) = ( 0.3536585 0.4509346 -0.0112400), wk = 0.0032680 k( 149) = ( 0.3414634 0.4509346 -0.0112400), wk = 0.0032680 k( 150) = ( 0.3292683 0.4509346 -0.0112400), wk = 0.0032680 k( 151) = ( 0.3170732 0.4509346 -0.0112400), wk = 0.0032680 k( 152) = ( 0.3048781 0.4509346 -0.0112400), wk = 0.0032680 k( 153) = ( 0.2926829 0.4509346 -0.0112400), wk = 0.0032680 k( 154) = ( 0.2804878 0.4509346 -0.0112400), wk = 0.0032680 k( 155) = ( 0.2682927 0.4509346 -0.0112400), wk = 0.0032680 k( 156) = ( 0.2560976 0.4509346 -0.0112400), wk = 0.0032680 k( 157) = ( 0.2439024 0.4509346 -0.0112400), wk = 0.0032680 k( 158) = ( 0.2317073 0.4509346 -0.0112400), wk = 0.0032680 k( 159) = ( 0.2195122 0.4509346 -0.0112400), wk = 0.0032680 k( 160) = ( 0.2073171 0.4509346 -0.0112400), wk = 0.0032680 k( 161) = ( 0.1951219 0.4509346 -0.0112400), wk = 0.0032680 k( 162) = ( 0.1829268 0.4509346 -0.0112400), wk = 0.0032680 k( 163) = ( 0.1707317 0.4509346 -0.0112400), wk = 0.0032680 k( 164) = ( 0.1585366 0.4509346 -0.0112400), wk = 0.0032680 k( 165) = ( 0.1463415 0.4509346 -0.0112400), wk = 0.0032680 k( 166) = ( 0.1341463 0.4509346 -0.0112400), wk = 0.0032680 k( 167) = ( 0.1219512 0.4509346 -0.0112400), wk = 0.0032680 k( 168) = ( 0.1097561 0.4509346 -0.0112400), wk = 0.0032680 k( 169) = ( 0.0975610 0.4509346 -0.0112400), wk = 0.0032680 k( 170) = ( 0.0853658 0.4509346 -0.0112400), wk = 0.0032680 k( 171) = ( 0.0731707 0.4509346 -0.0112400), wk = 0.0032680 k( 172) = ( 0.0609756 0.4509346 -0.0112400), wk = 0.0032680 k( 173) = ( 0.0487805 0.4509346 -0.0112400), wk = 0.0032680 k( 174) = ( 0.0365854 0.4509346 -0.0112400), wk = 0.0032680 k( 175) = ( 0.0243902 0.4509346 -0.0112400), wk = 0.0032680 k( 176) = ( 0.0121951 0.4509346 -0.0112400), wk = 0.0032680 k( 177) = ( 0.0000000 0.4509346 -0.0112400), wk = 0.0032680 k( 178) = ( 0.0000000 0.4509346 -0.0112400), wk = 0.0032680 k( 179) = ( 0.0000000 0.4512365 0.0008736), wk = 0.0032680 k( 180) = ( 0.0000000 0.4515385 0.0129871), wk = 0.0032680 k( 181) = ( 0.0000000 0.4518404 0.0251007), wk = 0.0032680 k( 182) = ( 0.0000000 0.4521423 0.0372142), wk = 0.0032680 k( 183) = ( 0.0000000 0.4524443 0.0493278), wk = 0.0032680 k( 184) = ( 0.0000000 0.4527462 0.0614413), wk = 0.0032680 k( 185) = ( 0.0000000 0.4530482 0.0735549), wk = 0.0032680 k( 186) = ( 0.0000000 0.4533501 0.0856684), wk = 0.0032680 k( 187) = ( 0.0000000 0.4536520 0.0977820), wk = 0.0032680 k( 188) = ( 0.0000000 0.4539540 0.1098955), wk = 0.0032680 k( 189) = ( 0.0000000 0.4542559 0.1220091), wk = 0.0032680 k( 190) = ( 0.0000000 0.4545579 0.1341226), wk = 0.0032680 k( 191) = ( 0.0000000 0.4548598 0.1462362), wk = 0.0032680 k( 192) = ( 0.0000000 0.4551618 0.1583497), wk = 0.0032680 k( 193) = ( 0.0000000 0.4554637 0.1704633), wk = 0.0032680 k( 194) = ( 0.0000000 0.4557656 0.1825768), wk = 0.0032680 k( 195) = ( 0.0000000 0.4560676 0.1946904), wk = 0.0032680 k( 196) = ( 0.0000000 0.4563695 0.2068039), wk = 0.0032680 k( 197) = ( 0.0000000 0.4566715 0.2189175), wk = 0.0032680 k( 198) = ( 0.0000000 0.4569734 0.2310310), wk = 0.0032680 k( 199) = ( 0.0000000 0.4572753 0.2431446), wk = 0.0032680 k( 200) = ( 0.0000000 0.4575773 0.2552581), wk = 0.0032680 k( 201) = ( 0.0000000 0.4578792 0.2673717), wk = 0.0032680 k( 202) = ( 0.5000000 0.4439899 0.2898516), wk = 0.0032680 k( 203) = ( 0.5000000 0.4319902 0.2898516), wk = 0.0032680 k( 204) = ( 0.5000000 0.4199905 0.2898516), wk = 0.0032680 k( 205) = ( 0.5000000 0.4079907 0.2898516), wk = 0.0032680 k( 206) = ( 0.5000000 0.3959910 0.2898516), wk = 0.0032680 k( 207) = ( 0.5000000 0.3839913 0.2898516), wk = 0.0032680 k( 208) = ( 0.5000000 0.3719916 0.2898516), wk = 0.0032680 k( 209) = ( 0.5000000 0.3599918 0.2898516), wk = 0.0032680 k( 210) = ( 0.5000000 0.3479921 0.2898516), wk = 0.0032680 k( 211) = ( 0.5000000 0.3359924 0.2898516), wk = 0.0032680 k( 212) = ( 0.5000000 0.3239927 0.2898516), wk = 0.0032680 k( 213) = ( 0.5000000 0.3119929 0.2898516), wk = 0.0032680 k( 214) = ( 0.5000000 0.2999932 0.2898516), wk = 0.0032680 k( 215) = ( 0.5000000 0.2879935 0.2898516), wk = 0.0032680 k( 216) = ( 0.5000000 0.2759937 0.2898516), wk = 0.0032680 k( 217) = ( 0.5000000 0.2639940 0.2898516), wk = 0.0032680 k( 218) = ( 0.5000000 0.2519943 0.2898516), wk = 0.0032680 k( 219) = ( 0.5000000 0.2399946 0.2898516), wk = 0.0032680 k( 220) = ( 0.5000000 0.2279948 0.2898516), wk = 0.0032680 k( 221) = ( 0.5000000 0.2159951 0.2898516), wk = 0.0032680 k( 222) = ( 0.5000000 0.2039954 0.2898516), wk = 0.0032680 k( 223) = ( 0.5000000 0.1919956 0.2898516), wk = 0.0032680 k( 224) = ( 0.5000000 0.1799959 0.2898516), wk = 0.0032680 k( 225) = ( 0.5000000 0.1679962 0.2898516), wk = 0.0032680 k( 226) = ( 0.5000000 0.1559965 0.2898516), wk = 0.0032680 k( 227) = ( 0.5000000 0.1439967 0.2898516), wk = 0.0032680 k( 228) = ( 0.5000000 0.1319970 0.2898516), wk = 0.0032680 k( 229) = ( 0.5000000 0.1199973 0.2898516), wk = 0.0032680 k( 230) = ( 0.5000000 0.1079976 0.2898516), wk = 0.0032680 k( 231) = ( 0.5000000 0.0959978 0.2898516), wk = 0.0032680 k( 232) = ( 0.5000000 0.0839981 0.2898516), wk = 0.0032680 k( 233) = ( 0.5000000 0.0719984 0.2898516), wk = 0.0032680 k( 234) = ( 0.5000000 0.0599986 0.2898516), wk = 0.0032680 k( 235) = ( 0.5000000 0.0479989 0.2898516), wk = 0.0032680 k( 236) = ( 0.5000000 0.0359992 0.2898516), wk = 0.0032680 k( 237) = ( 0.5000000 0.0239995 0.2898516), wk = 0.0032680 k( 238) = ( 0.5000000 0.0119997 0.2898516), wk = 0.0032680 k( 239) = ( 0.5000000 -0.0000000 0.2898516), wk = 0.0032680 k( 240) = ( 0.5000000 -0.0000000 0.2898516), wk = 0.0032680 k( 241) = ( 0.5000000 -0.0000000 0.2777744), wk = 0.0032680 k( 242) = ( 0.5000000 -0.0000000 0.2656973), wk = 0.0032680 k( 243) = ( 0.5000000 -0.0000000 0.2536201), wk = 0.0032680 k( 244) = ( 0.5000000 -0.0000000 0.2415430), wk = 0.0032680 k( 245) = ( 0.5000000 -0.0000000 0.2294658), wk = 0.0032680 k( 246) = ( 0.5000000 -0.0000000 0.2173887), wk = 0.0032680 k( 247) = ( 0.5000000 -0.0000000 0.2053115), wk = 0.0032680 k( 248) = ( 0.5000000 -0.0000000 0.1932344), wk = 0.0032680 k( 249) = ( 0.5000000 -0.0000000 0.1811572), wk = 0.0032680 k( 250) = ( 0.5000000 -0.0000000 0.1690801), wk = 0.0032680 k( 251) = ( 0.5000000 -0.0000000 0.1570029), wk = 0.0032680 k( 252) = ( 0.5000000 -0.0000000 0.1449258), wk = 0.0032680 k( 253) = ( 0.5000000 -0.0000000 0.1328486), wk = 0.0032680 k( 254) = ( 0.5000000 -0.0000000 0.1207715), wk = 0.0032680 k( 255) = ( 0.5000000 -0.0000000 0.1086943), wk = 0.0032680 k( 256) = ( 0.5000000 -0.0000000 0.0966172), wk = 0.0032680 k( 257) = ( 0.5000000 -0.0000000 0.0845400), wk = 0.0032680 k( 258) = ( 0.5000000 -0.0000000 0.0724629), wk = 0.0032680 k( 259) = ( 0.5000000 -0.0000000 0.0603857), wk = 0.0032680 k( 260) = ( 0.5000000 -0.0000000 0.0483086), wk = 0.0032680 k( 261) = ( 0.5000000 -0.0000000 0.0362314), wk = 0.0032680 k( 262) = ( 0.5000000 -0.0000000 0.0241543), wk = 0.0032680 k( 263) = ( 0.5000000 -0.0000000 0.0120771), wk = 0.0032680 k( 264) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032680 k( 265) = ( 0.0000000 0.0000000 0.2898516), wk = 0.0032680 k( 266) = ( 0.0121951 -0.0000000 0.2898516), wk = 0.0032680 k( 267) = ( 0.0243902 -0.0000000 0.2898516), wk = 0.0032680 k( 268) = ( 0.0365854 -0.0000000 0.2898516), wk = 0.0032680 k( 269) = ( 0.0487805 -0.0000000 0.2898516), wk = 0.0032680 k( 270) = ( 0.0609756 -0.0000000 0.2898516), wk = 0.0032680 k( 271) = ( 0.0731707 -0.0000000 0.2898516), wk = 0.0032680 k( 272) = ( 0.0853658 -0.0000000 0.2898516), wk = 0.0032680 k( 273) = ( 0.0975610 -0.0000000 0.2898516), wk = 0.0032680 k( 274) = ( 0.1097561 -0.0000000 0.2898516), wk = 0.0032680 k( 275) = ( 0.1219512 -0.0000000 0.2898516), wk = 0.0032680 k( 276) = ( 0.1341463 -0.0000000 0.2898516), wk = 0.0032680 k( 277) = ( 0.1463415 -0.0000000 0.2898516), wk = 0.0032680 k( 278) = ( 0.1585366 -0.0000000 0.2898516), wk = 0.0032680 k( 279) = ( 0.1707317 -0.0000000 0.2898516), wk = 0.0032680 k( 280) = ( 0.1829268 -0.0000000 0.2898516), wk = 0.0032680 k( 281) = ( 0.1951219 -0.0000000 0.2898516), wk = 0.0032680 k( 282) = ( 0.2073171 -0.0000000 0.2898516), wk = 0.0032680 k( 283) = ( 0.2195122 -0.0000000 0.2898516), wk = 0.0032680 k( 284) = ( 0.2317073 -0.0000000 0.2898516), wk = 0.0032680 k( 285) = ( 0.2439024 -0.0000000 0.2898516), wk = 0.0032680 k( 286) = ( 0.2560976 -0.0000000 0.2898516), wk = 0.0032680 k( 287) = ( 0.2682927 -0.0000000 0.2898516), wk = 0.0032680 k( 288) = ( 0.2804878 -0.0000000 0.2898516), wk = 0.0032680 k( 289) = ( 0.2926829 -0.0000000 0.2898516), wk = 0.0032680 k( 290) = ( 0.3048781 -0.0000000 0.2898516), wk = 0.0032680 k( 291) = ( 0.3170732 -0.0000000 0.2898516), wk = 0.0032680 k( 292) = ( 0.3292683 -0.0000000 0.2898516), wk = 0.0032680 k( 293) = ( 0.3414634 -0.0000000 0.2898516), wk = 0.0032680 k( 294) = ( 0.3536585 -0.0000000 0.2898516), wk = 0.0032680 k( 295) = ( 0.3658537 -0.0000000 0.2898516), wk = 0.0032680 k( 296) = ( 0.3780488 -0.0000000 0.2898516), wk = 0.0032680 k( 297) = ( 0.3902439 -0.0000000 0.2898516), wk = 0.0032680 k( 298) = ( 0.4024390 -0.0000000 0.2898516), wk = 0.0032680 k( 299) = ( 0.4146341 -0.0000000 0.2898516), wk = 0.0032680 k( 300) = ( 0.4268293 -0.0000000 0.2898516), wk = 0.0032680 k( 301) = ( 0.4390244 -0.0000000 0.2898516), wk = 0.0032680 k( 302) = ( 0.4512195 -0.0000000 0.2898516), wk = 0.0032680 k( 303) = ( 0.4634146 -0.0000000 0.2898516), wk = 0.0032680 k( 304) = ( 0.4756098 -0.0000000 0.2898516), wk = 0.0032680 k( 305) = ( 0.4878049 -0.0000000 0.2898516), wk = 0.0032680 k( 306) = ( 0.5000000 -0.0000000 0.2898516), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0032680 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0032680 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0032680 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0032680 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0032680 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0032680 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0032680 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0032680 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0032680 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032680 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0032680 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0032680 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0032680 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0032680 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0032680 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0032680 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0032680 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0032680 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0032680 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0032680 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0032680 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 27) = ( 0.0000000 0.0133054 0.5005160), wk = 0.0032680 k( 28) = ( 0.0000000 0.0266108 0.5010319), wk = 0.0032680 k( 29) = ( 0.0000000 0.0399162 0.5015479), wk = 0.0032680 k( 30) = ( 0.0000000 0.0532216 0.5020638), wk = 0.0032680 k( 31) = ( 0.0000000 0.0665270 0.5025798), wk = 0.0032680 k( 32) = ( 0.0000000 0.0798324 0.5030958), wk = 0.0032680 k( 33) = ( 0.0000000 0.0931378 0.5036117), wk = 0.0032680 k( 34) = ( 0.0000000 0.1064432 0.5041277), wk = 0.0032680 k( 35) = ( 0.0000000 0.1197486 0.5046436), wk = 0.0032680 k( 36) = ( 0.0000000 0.1330540 0.5051596), wk = 0.0032680 k( 37) = ( 0.0000000 0.1463594 0.5056756), wk = 0.0032680 k( 38) = ( 0.0000000 0.1596648 0.5061915), wk = 0.0032680 k( 39) = ( 0.0000000 0.1729702 0.5067075), wk = 0.0032680 k( 40) = ( 0.0000000 0.1862756 0.5072235), wk = 0.0032680 k( 41) = ( 0.0000000 0.1995810 0.5077394), wk = 0.0032680 k( 42) = ( 0.0000000 0.2128864 0.5082554), wk = 0.0032680 k( 43) = ( 0.0000000 0.2261918 0.5087713), wk = 0.0032680 k( 44) = ( 0.0000000 0.2394972 0.5092873), wk = 0.0032680 k( 45) = ( 0.0000000 0.2528026 0.5098033), wk = 0.0032680 k( 46) = ( 0.0000000 0.2661080 0.5103192), wk = 0.0032680 k( 47) = ( 0.0000000 0.2794134 0.5108352), wk = 0.0032680 k( 48) = ( 0.0000000 0.2927188 0.5113511), wk = 0.0032680 k( 49) = ( 0.0000000 0.3060241 0.5118671), wk = 0.0032680 k( 50) = ( 0.0000000 0.3193296 0.5123831), wk = 0.0032680 k( 51) = ( 0.0000000 0.3326349 0.5128990), wk = 0.0032680 k( 52) = ( 0.0000000 0.3459403 0.5134150), wk = 0.0032680 k( 53) = ( 0.0000000 0.3592457 0.5139309), wk = 0.0032680 k( 54) = ( 0.0000000 0.3725511 0.5144469), wk = 0.0032680 k( 55) = ( 0.0000000 0.3858565 0.5149629), wk = 0.0032680 k( 56) = ( 0.0000000 0.3991619 0.5154788), wk = 0.0032680 k( 57) = ( 0.0000000 0.4124673 0.5159948), wk = 0.0032680 k( 58) = ( 0.0000000 0.4257727 0.5165108), wk = 0.0032680 k( 59) = ( 0.0000000 0.4390781 0.5170267), wk = 0.0032680 k( 60) = ( 0.0000000 0.4523835 0.5175427), wk = 0.0032680 k( 61) = ( 0.0000000 0.4656889 0.5180586), wk = 0.0032680 k( 62) = ( 0.0000000 0.4789943 0.5185746), wk = 0.0032680 k( 63) = ( 0.0000000 0.4922997 0.5190906), wk = 0.0032680 k( 64) = ( 0.0000000 0.4922997 0.5190906), wk = 0.0032680 k( 65) = ( 0.0000000 0.4961499 0.5095453), wk = 0.0032680 k( 66) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032680 k( 67) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032680 k( 68) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0032680 k( 69) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0032680 k( 70) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0032680 k( 71) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0032680 k( 72) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0032680 k( 73) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0032680 k( 74) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0032680 k( 75) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0032680 k( 76) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0032680 k( 77) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0032680 k( 78) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0032680 k( 79) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0032680 k( 80) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0032680 k( 81) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0032680 k( 82) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0032680 k( 83) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0032680 k( 84) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0032680 k( 85) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0032680 k( 86) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0032680 k( 87) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0032680 k( 88) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0032680 k( 89) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0032680 k( 90) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0032680 k( 91) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0032680 k( 92) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0032680 k( 93) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0032680 k( 94) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0032680 k( 95) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0032680 k( 96) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0032680 k( 97) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0032680 k( 98) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0032680 k( 99) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0032680 k( 100) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0032680 k( 101) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0032680 k( 102) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0032680 k( 103) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0032680 k( 104) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0032680 k( 105) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0032680 k( 106) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0032680 k( 107) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0032680 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 109) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 110) = ( 0.5000000 0.5038501 0.4904547), wk = 0.0032680 k( 111) = ( 0.5000000 0.5077003 0.4809095), wk = 0.0032680 k( 112) = ( 0.5000000 0.5077003 0.4809095), wk = 0.0032680 k( 113) = ( 0.5000000 0.5073655 0.4600003), wk = 0.0032680 k( 114) = ( 0.5000000 0.5070307 0.4390912), wk = 0.0032680 k( 115) = ( 0.5000000 0.5066959 0.4181821), wk = 0.0032680 k( 116) = ( 0.5000000 0.5063611 0.3972730), wk = 0.0032680 k( 117) = ( 0.5000000 0.5060263 0.3763639), wk = 0.0032680 k( 118) = ( 0.5000000 0.5056915 0.3554548), wk = 0.0032680 k( 119) = ( 0.5000000 0.5053567 0.3345457), wk = 0.0032680 k( 120) = ( 0.5000000 0.5050219 0.3136366), wk = 0.0032680 k( 121) = ( 0.5000000 0.5046871 0.2927275), wk = 0.0032680 k( 122) = ( 0.5000000 0.5043523 0.2718184), wk = 0.0032680 k( 123) = ( 0.5000000 0.5040175 0.2509093), wk = 0.0032680 k( 124) = ( 0.5000000 0.5036827 0.2300002), wk = 0.0032680 k( 125) = ( 0.5000000 0.5033479 0.2090911), wk = 0.0032680 k( 126) = ( 0.5000000 0.5030131 0.1881820), wk = 0.0032680 k( 127) = ( 0.5000000 0.5026784 0.1672729), wk = 0.0032680 k( 128) = ( 0.5000000 0.5023436 0.1463637), wk = 0.0032680 k( 129) = ( 0.5000000 0.5020088 0.1254546), wk = 0.0032680 k( 130) = ( 0.5000000 0.5016740 0.1045455), wk = 0.0032680 k( 131) = ( 0.5000000 0.5013392 0.0836364), wk = 0.0032680 k( 132) = ( 0.5000000 0.5010044 0.0627273), wk = 0.0032680 k( 133) = ( 0.5000000 0.5006696 0.0418182), wk = 0.0032680 k( 134) = ( 0.5000000 0.5003348 0.0209091), wk = 0.0032680 k( 135) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 136) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 137) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0032680 k( 138) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0032680 k( 139) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0032680 k( 140) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0032680 k( 141) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0032680 k( 142) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0032680 k( 143) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0032680 k( 144) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0032680 k( 145) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0032680 k( 146) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0032680 k( 147) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0032680 k( 148) = ( 0.3536585 0.5000000 0.0000000), wk = 0.0032680 k( 149) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0032680 k( 150) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0032680 k( 151) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0032680 k( 152) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0032680 k( 153) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0032680 k( 154) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0032680 k( 155) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0032680 k( 156) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0032680 k( 157) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0032680 k( 158) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0032680 k( 159) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0032680 k( 160) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0032680 k( 161) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0032680 k( 162) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0032680 k( 163) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0032680 k( 164) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0032680 k( 165) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0032680 k( 166) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0032680 k( 167) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0032680 k( 168) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0032680 k( 169) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0032680 k( 170) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0032680 k( 171) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0032680 k( 172) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0032680 k( 173) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0032680 k( 174) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0032680 k( 175) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0032680 k( 176) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0032680 k( 177) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 178) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 179) = ( 0.0000000 0.5003348 0.0209091), wk = 0.0032680 k( 180) = ( 0.0000000 0.5006696 0.0418182), wk = 0.0032680 k( 181) = ( 0.0000000 0.5010044 0.0627273), wk = 0.0032680 k( 182) = ( 0.0000000 0.5013392 0.0836364), wk = 0.0032680 k( 183) = ( 0.0000000 0.5016740 0.1045455), wk = 0.0032680 k( 184) = ( 0.0000000 0.5020088 0.1254546), wk = 0.0032680 k( 185) = ( 0.0000000 0.5023436 0.1463637), wk = 0.0032680 k( 186) = ( 0.0000000 0.5026784 0.1672729), wk = 0.0032680 k( 187) = ( 0.0000000 0.5030132 0.1881820), wk = 0.0032680 k( 188) = ( 0.0000000 0.5033479 0.2090911), wk = 0.0032680 k( 189) = ( 0.0000000 0.5036827 0.2300002), wk = 0.0032680 k( 190) = ( 0.0000000 0.5040175 0.2509093), wk = 0.0032680 k( 191) = ( 0.0000000 0.5043523 0.2718184), wk = 0.0032680 k( 192) = ( 0.0000000 0.5046871 0.2927275), wk = 0.0032680 k( 193) = ( 0.0000000 0.5050219 0.3136366), wk = 0.0032680 k( 194) = ( 0.0000000 0.5053567 0.3345457), wk = 0.0032680 k( 195) = ( 0.0000000 0.5056915 0.3554548), wk = 0.0032680 k( 196) = ( 0.0000000 0.5060263 0.3763639), wk = 0.0032680 k( 197) = ( 0.0000000 0.5063611 0.3972730), wk = 0.0032680 k( 198) = ( 0.0000000 0.5066959 0.4181821), wk = 0.0032680 k( 199) = ( 0.0000000 0.5070307 0.4390912), wk = 0.0032680 k( 200) = ( 0.0000000 0.5073655 0.4600003), wk = 0.0032680 k( 201) = ( 0.0000000 0.5077003 0.4809095), wk = 0.0032680 k( 202) = ( 0.5000000 0.4922997 0.5190906), wk = 0.0032680 k( 203) = ( 0.5000000 0.4789943 0.5185746), wk = 0.0032680 k( 204) = ( 0.5000000 0.4656889 0.5180586), wk = 0.0032680 k( 205) = ( 0.5000000 0.4523835 0.5175427), wk = 0.0032680 k( 206) = ( 0.5000000 0.4390781 0.5170267), wk = 0.0032680 k( 207) = ( 0.5000000 0.4257727 0.5165108), wk = 0.0032680 k( 208) = ( 0.5000000 0.4124673 0.5159948), wk = 0.0032680 k( 209) = ( 0.5000000 0.3991619 0.5154788), wk = 0.0032680 k( 210) = ( 0.5000000 0.3858565 0.5149629), wk = 0.0032680 k( 211) = ( 0.5000000 0.3725511 0.5144469), wk = 0.0032680 k( 212) = ( 0.5000000 0.3592457 0.5139309), wk = 0.0032680 k( 213) = ( 0.5000000 0.3459403 0.5134150), wk = 0.0032680 k( 214) = ( 0.5000000 0.3326349 0.5128990), wk = 0.0032680 k( 215) = ( 0.5000000 0.3193295 0.5123831), wk = 0.0032680 k( 216) = ( 0.5000000 0.3060241 0.5118671), wk = 0.0032680 k( 217) = ( 0.5000000 0.2927187 0.5113511), wk = 0.0032680 k( 218) = ( 0.5000000 0.2794133 0.5108352), wk = 0.0032680 k( 219) = ( 0.5000000 0.2661080 0.5103192), wk = 0.0032680 k( 220) = ( 0.5000000 0.2528026 0.5098033), wk = 0.0032680 k( 221) = ( 0.5000000 0.2394972 0.5092873), wk = 0.0032680 k( 222) = ( 0.5000000 0.2261918 0.5087713), wk = 0.0032680 k( 223) = ( 0.5000000 0.2128864 0.5082554), wk = 0.0032680 k( 224) = ( 0.5000000 0.1995810 0.5077394), wk = 0.0032680 k( 225) = ( 0.5000000 0.1862756 0.5072235), wk = 0.0032680 k( 226) = ( 0.5000000 0.1729702 0.5067075), wk = 0.0032680 k( 227) = ( 0.5000000 0.1596648 0.5061915), wk = 0.0032680 k( 228) = ( 0.5000000 0.1463594 0.5056756), wk = 0.0032680 k( 229) = ( 0.5000000 0.1330540 0.5051596), wk = 0.0032680 k( 230) = ( 0.5000000 0.1197486 0.5046436), wk = 0.0032680 k( 231) = ( 0.5000000 0.1064432 0.5041277), wk = 0.0032680 k( 232) = ( 0.5000000 0.0931378 0.5036117), wk = 0.0032680 k( 233) = ( 0.5000000 0.0798324 0.5030958), wk = 0.0032680 k( 234) = ( 0.5000000 0.0665270 0.5025798), wk = 0.0032680 k( 235) = ( 0.5000000 0.0532216 0.5020638), wk = 0.0032680 k( 236) = ( 0.5000000 0.0399162 0.5015479), wk = 0.0032680 k( 237) = ( 0.5000000 0.0266108 0.5010319), wk = 0.0032680 k( 238) = ( 0.5000000 0.0133054 0.5005160), wk = 0.0032680 k( 239) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032680 k( 240) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032680 k( 241) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0032680 k( 242) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0032680 k( 243) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0032680 k( 244) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0032680 k( 245) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0032680 k( 246) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0032680 k( 247) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0032680 k( 248) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0032680 k( 249) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0032680 k( 250) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0032680 k( 251) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0032680 k( 252) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0032680 k( 253) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0032680 k( 254) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0032680 k( 255) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0032680 k( 256) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0032680 k( 257) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0032680 k( 258) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0032680 k( 259) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0032680 k( 260) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0032680 k( 261) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0032680 k( 262) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0032680 k( 263) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0032680 k( 264) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032680 k( 265) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 266) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0032680 k( 267) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0032680 k( 268) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0032680 k( 269) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0032680 k( 270) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0032680 k( 271) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0032680 k( 272) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0032680 k( 273) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0032680 k( 274) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0032680 k( 275) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0032680 k( 276) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0032680 k( 277) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0032680 k( 278) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0032680 k( 279) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0032680 k( 280) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0032680 k( 281) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0032680 k( 282) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0032680 k( 283) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0032680 k( 284) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0032680 k( 285) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0032680 k( 286) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0032680 k( 287) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0032680 k( 288) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0032680 k( 289) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0032680 k( 290) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0032680 k( 291) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0032680 k( 292) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0032680 k( 293) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0032680 k( 294) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0032680 k( 295) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0032680 k( 296) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0032680 k( 297) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0032680 k( 298) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0032680 k( 299) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0032680 k( 300) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0032680 k( 301) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0032680 k( 302) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0032680 k( 303) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0032680 k( 304) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0032680 k( 305) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0032680 k( 306) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032680 Dense grid: 104477 G-vectors FFT dimensions: ( 48, 54, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 546, 42) NL pseudopotentials 0.47 Mb ( 273, 112) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.02 Mb ( 2178) G-vector shells 0.02 Mb ( 2112) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.40 Mb ( 546, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.14 Mb ( 112, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NaLi5N2.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.1 secs Computing kpt #: 2 total cpu time spent up to now is 42.0 secs Computing kpt #: 3 total cpu time spent up to now is 43.9 secs Computing kpt #: 4 total cpu time spent up to now is 45.8 secs Computing kpt #: 5 total cpu time spent up to now is 47.7 secs Computing kpt #: 6 total cpu time spent up to now is 49.6 secs Computing kpt #: 7 total cpu time spent up to now is 51.6 secs Computing kpt #: 8 total cpu time spent up to now is 53.5 secs Computing kpt #: 9 total cpu time spent up to now is 55.4 secs Computing kpt #: 10 total cpu time spent up to now is 57.4 secs Computing kpt #: 11 total cpu time spent up to now is 59.6 secs Computing kpt #: 12 total cpu time spent up to now is 61.9 secs Computing kpt #: 13 total cpu time spent up to now is 63.8 secs Computing kpt #: 14 total cpu time spent up to now is 65.6 secs Computing kpt #: 15 total cpu time spent up to now is 67.6 secs Computing kpt #: 16 total cpu time spent up to now is 69.6 secs Computing kpt #: 17 total cpu time spent up to now is 71.5 secs Computing kpt #: 18 total cpu time spent up to now is 73.5 secs Computing kpt #: 19 total cpu time spent up to now is 75.4 secs Computing kpt #: 20 total cpu time spent up to now is 77.3 secs Computing kpt #: 21 total cpu time spent up to now is 79.2 secs Computing kpt #: 22 total cpu time spent up to now is 81.1 secs Computing kpt #: 23 total cpu time spent up to now is 83.1 secs Computing kpt #: 24 total cpu time spent up to now is 85.2 secs Computing kpt #: 25 total cpu time spent up to now is 87.4 secs Computing kpt #: 26 total cpu time spent up to now is 89.2 secs Computing kpt #: 27 total cpu time spent up to now is 91.1 secs Computing kpt #: 28 total cpu time spent up to now is 93.0 secs Computing kpt #: 29 total cpu time spent up to now is 94.9 secs Computing kpt #: 30 total cpu time spent up to now is 96.7 secs Computing kpt #: 31 total cpu time spent up to now is 98.5 secs Computing kpt #: 32 total cpu time spent up to now is 100.4 secs Computing kpt #: 33 total cpu time spent up to now is 102.3 secs Computing kpt #: 34 total cpu time spent up to now is 104.3 secs Computing kpt #: 35 total cpu time spent up to now is 106.3 secs Computing kpt #: 36 total cpu time spent up to now is 108.1 secs Computing kpt #: 37 total cpu time spent up to now is 110.2 secs Computing kpt #: 38 total cpu time spent up to now is 112.8 secs Computing kpt #: 39 total cpu time spent up to now is 114.7 secs Computing kpt #: 40 total cpu time spent up to now is 116.8 secs Computing kpt #: 41 total cpu time spent up to now is 118.7 secs Computing kpt #: 42 total cpu time spent up to now is 120.5 secs Computing kpt #: 43 total cpu time spent up to now is 122.4 secs Computing kpt #: 44 total cpu time spent up to now is 124.2 secs Computing kpt #: 45 total cpu time spent up to now is 126.3 secs Computing kpt #: 46 total cpu time spent up to now is 128.3 secs Computing kpt #: 47 total cpu time spent up to now is 130.2 secs Computing kpt #: 48 total cpu time spent up to now is 132.0 secs Computing kpt #: 49 total cpu time spent up to now is 133.8 secs Computing kpt #: 50 total cpu time spent up to now is 135.7 secs Computing kpt #: 51 total cpu time spent up to now is 137.5 secs Computing kpt #: 52 total cpu time spent up to now is 139.3 secs Computing kpt #: 53 total cpu time spent up to now is 141.2 secs Computing kpt #: 54 total cpu time spent up to now is 143.0 secs Computing kpt #: 55 total cpu time spent up to now is 144.9 secs Computing kpt #: 56 total cpu time spent up to now is 146.9 secs Computing kpt #: 57 total cpu time spent up to now is 148.9 secs Computing kpt #: 58 total cpu time spent up to now is 150.8 secs Computing kpt #: 59 total cpu time spent up to now is 152.8 secs Computing kpt #: 60 total cpu time spent up to now is 154.7 secs Computing kpt #: 61 total cpu time spent up to now is 156.6 secs Computing kpt #: 62 total cpu time spent up to now is 158.6 secs Computing kpt #: 63 total cpu time spent up to now is 160.6 secs Computing kpt #: 64 total cpu time spent up to now is 162.5 secs Computing kpt #: 65 total cpu time spent up to now is 164.5 secs Computing kpt #: 66 total cpu time spent up to now is 166.5 secs Computing kpt #: 67 total cpu time spent up to now is 168.7 secs Computing kpt #: 68 total cpu time spent up to now is 170.9 secs Computing kpt #: 69 total cpu time spent up to now is 172.9 secs Computing kpt #: 70 total cpu time spent up to now is 175.3 secs Computing kpt #: 71 total cpu time spent up to now is 177.5 secs Computing kpt #: 72 total cpu time spent up to now is 179.5 secs Computing kpt #: 73 total cpu time spent up to now is 181.6 secs Computing kpt #: 74 total cpu time spent up to now is 183.5 secs Computing kpt #: 75 total cpu time spent up to now is 185.4 secs Computing kpt #: 76 total cpu time spent up to now is 187.3 secs Computing kpt #: 77 total cpu time spent up to now is 189.3 secs Computing kpt #: 78 total cpu time spent up to now is 191.3 secs Computing kpt #: 79 total cpu time spent up to now is 193.3 secs Computing kpt #: 80 total cpu time spent up to now is 195.4 secs Computing kpt #: 81 total cpu time spent up to now is 197.3 secs Computing kpt #: 82 total cpu time spent up to now is 199.2 secs Computing kpt #: 83 total cpu time spent up to now is 201.2 secs Computing kpt #: 84 total cpu time spent up to now is 203.0 secs Computing kpt #: 85 total cpu time spent up to now is 204.9 secs Computing kpt #: 86 total cpu time spent up to now is 206.8 secs Computing kpt #: 87 total cpu time spent up to now is 208.7 secs Computing kpt #: 88 total cpu time spent up to now is 210.5 secs Computing kpt #: 89 total cpu time spent up to now is 212.5 secs Computing kpt #: 90 total cpu time spent up to now is 214.5 secs Computing kpt #: 91 total cpu time spent up to now is 216.5 secs Computing kpt #: 92 total cpu time spent up to now is 218.6 secs Computing kpt #: 93 total cpu time spent up to now is 220.5 secs Computing kpt #: 94 total cpu time spent up to now is 222.3 secs Computing kpt #: 95 total cpu time spent up to now is 224.2 secs Computing kpt #: 96 total cpu time spent up to now is 226.1 secs Computing kpt #: 97 total cpu time spent up to now is 228.1 secs Computing kpt #: 98 total cpu time spent up to now is 230.3 secs Computing kpt #: 99 total cpu time spent up to now is 232.2 secs Computing kpt #: 100 total cpu time spent up to now is 234.2 secs Computing kpt #: 101 total cpu time spent up to now is 236.1 secs Computing kpt #: 102 total cpu time spent up to now is 237.9 secs Computing kpt #: 103 total cpu time spent up to now is 239.8 secs Computing kpt #: 104 total cpu time spent up to now is 241.6 secs Computing kpt #: 105 total cpu time spent up to now is 243.5 secs Computing kpt #: 106 total cpu time spent up to now is 245.3 secs Computing kpt #: 107 total cpu time spent up to now is 247.1 secs Computing kpt #: 108 total cpu time spent up to now is 249.0 secs Computing kpt #: 109 total cpu time spent up to now is 250.7 secs Computing kpt #: 110 total cpu time spent up to now is 252.5 secs Computing kpt #: 111 total cpu time spent up to now is 254.3 secs Computing kpt #: 112 total cpu time spent up to now is 256.4 secs Computing kpt #: 113 total cpu time spent up to now is 258.1 secs Computing kpt #: 114 total cpu time spent up to now is 259.9 secs Computing kpt #: 115 total cpu time spent up to now is 261.7 secs Computing kpt #: 116 total cpu time spent up to now is 263.4 secs Computing kpt #: 117 total cpu time spent up to now is 265.2 secs Computing kpt #: 118 total cpu time spent up to now is 267.0 secs Computing kpt #: 119 total cpu time spent up to now is 268.7 secs Computing kpt #: 120 total cpu time spent up to now is 270.4 secs Computing kpt #: 121 total cpu time spent up to now is 272.0 secs Computing kpt #: 122 total cpu time spent up to now is 273.6 secs Computing kpt #: 123 total cpu time spent up to now is 275.2 secs Computing kpt #: 124 total cpu time spent up to now is 276.7 secs Computing kpt #: 125 total cpu time spent up to now is 278.4 secs Computing kpt #: 126 total cpu time spent up to now is 279.9 secs Computing kpt #: 127 total cpu time spent up to now is 281.3 secs Computing kpt #: 128 total cpu time spent up to now is 282.8 secs Computing kpt #: 129 total cpu time spent up to now is 284.4 secs Computing kpt #: 130 total cpu time spent up to now is 285.9 secs Computing kpt #: 131 total cpu time spent up to now is 287.4 secs Computing kpt #: 132 total cpu time spent up to now is 288.9 secs Computing kpt #: 133 total cpu time spent up to now is 290.7 secs Computing kpt #: 134 total cpu time spent up to now is 292.3 secs Computing kpt #: 135 total cpu time spent up to now is 293.8 secs Computing kpt #: 136 total cpu time spent up to now is 295.2 secs Computing kpt #: 137 total cpu time spent up to now is 296.9 secs Computing kpt #: 138 total cpu time spent up to now is 298.4 secs Computing kpt #: 139 total cpu time spent up to now is 299.9 secs Computing kpt #: 140 total cpu time spent up to now is 301.6 secs Computing kpt #: 141 total cpu time spent up to now is 303.4 secs Computing kpt #: 142 total cpu time spent up to now is 305.2 secs Computing kpt #: 143 total cpu time spent up to now is 307.0 secs Computing kpt #: 144 total cpu time spent up to now is 308.8 secs Computing kpt #: 145 total cpu time spent up to now is 310.5 secs Computing kpt #: 146 total cpu time spent up to now is 312.2 secs Computing kpt #: 147 total cpu time spent up to now is 314.0 secs Computing kpt #: 148 total cpu time spent up to now is 315.8 secs Computing kpt #: 149 total cpu time spent up to now is 317.6 secs Computing kpt #: 150 total cpu time spent up to now is 319.4 secs Computing kpt #: 151 total cpu time spent up to now is 321.3 secs Computing kpt #: 152 total cpu time spent up to now is 323.1 secs Computing kpt #: 153 total cpu time spent up to now is 325.0 secs Computing kpt #: 154 total cpu time spent up to now is 326.8 secs Computing kpt #: 155 total cpu time spent up to now is 328.6 secs Computing kpt #: 156 total cpu time spent up to now is 330.4 secs Computing kpt #: 157 total cpu time spent up to now is 332.2 secs Computing kpt #: 158 total cpu time spent up to now is 333.8 secs Computing kpt #: 159 total cpu time spent up to now is 335.4 secs Computing kpt #: 160 total cpu time spent up to now is 337.0 secs Computing kpt #: 161 total cpu time spent up to now is 338.5 secs Computing kpt #: 162 total cpu time spent up to now is 340.1 secs Computing kpt #: 163 total cpu time spent up to now is 341.5 secs Computing kpt #: 164 total cpu time spent up to now is 343.0 secs Computing kpt #: 165 total cpu time spent up to now is 344.6 secs Computing kpt #: 166 total cpu time spent up to now is 346.0 secs Computing kpt #: 167 total cpu time spent up to now is 347.5 secs Computing kpt #: 168 total cpu time spent up to now is 349.2 secs Computing kpt #: 169 total cpu time spent up to now is 350.9 secs Computing kpt #: 170 total cpu time spent up to now is 352.4 secs Computing kpt #: 171 total cpu time spent up to now is 353.9 secs Computing kpt #: 172 total cpu time spent up to now is 355.4 secs Computing kpt #: 173 total cpu time spent up to now is 357.3 secs Computing kpt #: 174 total cpu time spent up to now is 358.8 secs Computing kpt #: 175 total cpu time spent up to now is 360.3 secs Computing kpt #: 176 total cpu time spent up to now is 361.9 secs Computing kpt #: 177 total cpu time spent up to now is 363.4 secs Computing kpt #: 178 total cpu time spent up to now is 365.0 secs Computing kpt #: 179 total cpu time spent up to now is 366.5 secs Computing kpt #: 180 total cpu time spent up to now is 368.1 secs Computing kpt #: 181 total cpu time spent up to now is 369.7 secs Computing kpt #: 182 total cpu time spent up to now is 371.2 secs Computing kpt #: 183 total cpu time spent up to now is 372.7 secs Computing kpt #: 184 total cpu time spent up to now is 374.3 secs Computing kpt #: 185 total cpu time spent up to now is 376.1 secs Computing kpt #: 186 total cpu time spent up to now is 377.9 secs Computing kpt #: 187 total cpu time spent up to now is 379.6 secs Computing kpt #: 188 total cpu time spent up to now is 381.5 secs Computing kpt #: 189 total cpu time spent up to now is 383.4 secs Computing kpt #: 190 total cpu time spent up to now is 385.3 secs Computing kpt #: 191 total cpu time spent up to now is 387.2 secs Computing kpt #: 192 total cpu time spent up to now is 389.1 secs Computing kpt #: 193 total cpu time spent up to now is 391.0 secs Computing kpt #: 194 total cpu time spent up to now is 393.0 secs Computing kpt #: 195 total cpu time spent up to now is 394.9 secs Computing kpt #: 196 total cpu time spent up to now is 397.0 secs Computing kpt #: 197 total cpu time spent up to now is 399.1 secs Computing kpt #: 198 total cpu time spent up to now is 401.1 secs Computing kpt #: 199 total cpu time spent up to now is 403.1 secs Computing kpt #: 200 total cpu time spent up to now is 405.2 secs Computing kpt #: 201 total cpu time spent up to now is 407.1 secs Computing kpt #: 202 total cpu time spent up to now is 408.9 secs Computing kpt #: 203 total cpu time spent up to now is 411.7 secs Computing kpt #: 204 total cpu time spent up to now is 414.7 secs Computing kpt #: 205 total cpu time spent up to now is 417.1 secs Computing kpt #: 206 total cpu time spent up to now is 418.8 secs Computing kpt #: 207 total cpu time spent up to now is 420.5 secs Computing kpt #: 208 total cpu time spent up to now is 422.3 secs Computing kpt #: 209 total cpu time spent up to now is 423.9 secs Computing kpt #: 210 total cpu time spent up to now is 425.4 secs Computing kpt #: 211 total cpu time spent up to now is 427.2 secs Computing kpt #: 212 total cpu time spent up to now is 428.8 secs Computing kpt #: 213 total cpu time spent up to now is 430.3 secs Computing kpt #: 214 total cpu time spent up to now is 431.8 secs Computing kpt #: 215 total cpu time spent up to now is 433.4 secs Computing kpt #: 216 total cpu time spent up to now is 435.0 secs Computing kpt #: 217 total cpu time spent up to now is 436.6 secs Computing kpt #: 218 total cpu time spent up to now is 438.0 secs Computing kpt #: 219 total cpu time spent up to now is 439.5 secs Computing kpt #: 220 total cpu time spent up to now is 441.1 secs Computing kpt #: 221 total cpu time spent up to now is 442.5 secs Computing kpt #: 222 total cpu time spent up to now is 444.0 secs Computing kpt #: 223 total cpu time spent up to now is 445.7 secs Computing kpt #: 224 total cpu time spent up to now is 447.4 secs Computing kpt #: 225 total cpu time spent up to now is 448.8 secs Computing kpt #: 226 total cpu time spent up to now is 450.2 secs Computing kpt #: 227 total cpu time spent up to now is 451.7 secs Computing kpt #: 228 total cpu time spent up to now is 453.2 secs Computing kpt #: 229 total cpu time spent up to now is 454.7 secs Computing kpt #: 230 total cpu time spent up to now is 456.1 secs Computing kpt #: 231 total cpu time spent up to now is 457.6 secs Computing kpt #: 232 total cpu time spent up to now is 459.2 secs Computing kpt #: 233 total cpu time spent up to now is 460.6 secs Computing kpt #: 234 total cpu time spent up to now is 462.1 secs Computing kpt #: 235 total cpu time spent up to now is 463.7 secs Computing kpt #: 236 total cpu time spent up to now is 465.2 secs Computing kpt #: 237 total cpu time spent up to now is 466.7 secs Computing kpt #: 238 total cpu time spent up to now is 468.1 secs Computing kpt #: 239 total cpu time spent up to now is 469.5 secs Computing kpt #: 240 total cpu time spent up to now is 471.0 secs Computing kpt #: 241 total cpu time spent up to now is 472.5 secs Computing kpt #: 242 total cpu time spent up to now is 473.9 secs Computing kpt #: 243 total cpu time spent up to now is 475.4 secs Computing kpt #: 244 total cpu time spent up to now is 476.9 secs Computing kpt #: 245 total cpu time spent up to now is 478.4 secs Computing kpt #: 246 total cpu time spent up to now is 479.8 secs Computing kpt #: 247 total cpu time spent up to now is 481.3 secs Computing kpt #: 248 total cpu time spent up to now is 482.9 secs Computing kpt #: 249 total cpu time spent up to now is 484.3 secs Computing kpt #: 250 total cpu time spent up to now is 485.8 secs Computing kpt #: 251 total cpu time spent up to now is 487.4 secs Computing kpt #: 252 total cpu time spent up to now is 489.0 secs Computing kpt #: 253 total cpu time spent up to now is 490.4 secs Computing kpt #: 254 total cpu time spent up to now is 491.9 secs Computing kpt #: 255 total cpu time spent up to now is 493.6 secs Computing kpt #: 256 total cpu time spent up to now is 495.2 secs Computing kpt #: 257 total cpu time spent up to now is 496.8 secs Computing kpt #: 258 total cpu time spent up to now is 498.3 secs Computing kpt #: 259 total cpu time spent up to now is 499.9 secs Computing kpt #: 260 total cpu time spent up to now is 501.4 secs Computing kpt #: 261 total cpu time spent up to now is 502.9 secs Computing kpt #: 262 total cpu time spent up to now is 504.5 secs Computing kpt #: 263 total cpu time spent up to now is 506.3 secs Computing kpt #: 264 total cpu time spent up to now is 507.8 secs Computing kpt #: 265 total cpu time spent up to now is 509.6 secs Computing kpt #: 266 total cpu time spent up to now is 511.5 secs Computing kpt #: 267 total cpu time spent up to now is 513.6 secs Computing kpt #: 268 total cpu time spent up to now is 515.5 secs Computing kpt #: 269 total cpu time spent up to now is 517.4 secs Computing kpt #: 270 total cpu time spent up to now is 519.3 secs Computing kpt #: 271 total cpu time spent up to now is 521.1 secs Computing kpt #: 272 total cpu time spent up to now is 523.1 secs Computing kpt #: 273 total cpu time spent up to now is 525.0 secs Computing kpt #: 274 total cpu time spent up to now is 526.9 secs Computing kpt #: 275 total cpu time spent up to now is 528.8 secs Computing kpt #: 276 total cpu time spent up to now is 530.7 secs Computing kpt #: 277 total cpu time spent up to now is 532.6 secs Computing kpt #: 278 total cpu time spent up to now is 534.5 secs Computing kpt #: 279 total cpu time spent up to now is 536.4 secs Computing kpt #: 280 total cpu time spent up to now is 538.2 secs Computing kpt #: 281 total cpu time spent up to now is 540.1 secs Computing kpt #: 282 total cpu time spent up to now is 542.3 secs Computing kpt #: 283 total cpu time spent up to now is 544.2 secs Computing kpt #: 284 total cpu time spent up to now is 546.0 secs Computing kpt #: 285 total cpu time spent up to now is 547.7 secs Computing kpt #: 286 total cpu time spent up to now is 549.6 secs Computing kpt #: 287 total cpu time spent up to now is 551.3 secs Computing kpt #: 288 total cpu time spent up to now is 553.2 secs Computing kpt #: 289 total cpu time spent up to now is 555.0 secs Computing kpt #: 290 total cpu time spent up to now is 556.8 secs Computing kpt #: 291 total cpu time spent up to now is 558.4 secs Computing kpt #: 292 total cpu time spent up to now is 560.1 secs Computing kpt #: 293 total cpu time spent up to now is 561.8 secs Computing kpt #: 294 total cpu time spent up to now is 563.3 secs Computing kpt #: 295 total cpu time spent up to now is 564.8 secs Computing kpt #: 296 total cpu time spent up to now is 566.4 secs Computing kpt #: 297 total cpu time spent up to now is 567.9 secs Computing kpt #: 298 total cpu time spent up to now is 569.4 secs Computing kpt #: 299 total cpu time spent up to now is 571.0 secs Computing kpt #: 300 total cpu time spent up to now is 572.6 secs Computing kpt #: 301 total cpu time spent up to now is 574.1 secs Computing kpt #: 302 total cpu time spent up to now is 575.5 secs Computing kpt #: 303 total cpu time spent up to now is 576.9 secs Computing kpt #: 304 total cpu time spent up to now is 578.4 secs Computing kpt #: 305 total cpu time spent up to now is 580.0 secs Computing kpt #: 306 total cpu time spent up to now is 581.4 secs ethr = 2.94E-11, avg # of iterations = 22.7 total cpu time spent up to now is 581.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13093 PWs) bands (ev): -49.0356 -49.0356 -43.1565 -43.1565 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2986 -9.2986 -9.1046 -9.1046 -0.0576 -0.0576 0.6831 0.6831 1.2373 1.2373 1.3014 1.3014 1.9956 1.9956 2.0091 2.0091 2.1422 2.1422 5.3097 5.3097 5.4596 5.4596 8.4131 8.4131 k = 0.0000 0.0000 0.0121 ( 13096 PWs) bands (ev): -49.0356 -49.0356 -43.1565 -43.1565 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2984 -9.2984 -9.1048 -9.1048 -0.0564 -0.0564 0.6836 0.6836 1.2378 1.2378 1.3006 1.3006 1.9812 1.9821 1.9983 1.9985 2.1657 2.1665 5.2673 5.2683 5.5023 5.5032 8.4138 8.4138 k = 0.0000 0.0000 0.0242 ( 13103 PWs) bands (ev): -49.0356 -49.0356 -43.1565 -43.1565 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2979 -9.2978 -9.1055 -9.1054 -0.0526 -0.0526 0.6852 0.6853 1.2390 1.2391 1.2981 1.2981 1.9331 1.9341 1.9954 1.9955 2.2147 2.2157 5.1907 5.1919 5.5823 5.5834 8.4157 8.4158 k = 0.0000 0.0000 0.0362 ( 13103 PWs) bands (ev): -49.0356 -49.0356 -43.1565 -43.1565 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2969 -9.2969 -9.1065 -9.1065 -0.0464 -0.0464 0.6878 0.6880 1.2412 1.2412 1.2940 1.2941 1.8770 1.8779 1.9921 1.9921 2.2707 2.2718 5.1081 5.1094 5.6709 5.6720 8.4190 8.4191 k = 0.0000 0.0000 0.0483 ( 13116 PWs) bands (ev): -49.0356 -49.0356 -43.1565 -43.1565 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2956 -9.2956 -9.1080 -9.1080 -0.0377 -0.0376 0.6916 0.6918 1.2441 1.2441 1.2883 1.2884 1.8183 1.8193 1.9877 1.9877 2.3292 2.3303 5.0246 5.0259 5.7629 5.7640 8.4234 8.4236 k = 0.0000 0.0000 0.0604 ( 13107 PWs) bands (ev): -49.0356 -49.0356 -43.1565 -43.1565 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2940 -9.2939 -9.1099 -9.1098 -0.0265 -0.0264 0.6963 0.6966 1.2478 1.2478 1.2810 1.2811 1.7588 1.7598 1.9821 1.9822 2.3886 2.3898 4.9413 4.9426 5.8569 5.8580 8.4289 8.4292 k = 0.0000 0.0000 0.0725 ( 13106 PWs) bands (ev): -49.0356 -49.0356 -43.1565 -43.1565 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2920 -9.2919 -9.1122 -9.1121 -0.0129 -0.0128 0.7021 0.7024 1.2520 1.2521 1.2722 1.2724 1.6991 1.7000 1.9755 1.9755 2.4484 2.4496 4.8588 4.8602 5.9523 5.9534 8.4354 8.4357 k = 0.0000 0.0000 0.0845 ( 13108 PWs) bands (ev): -49.0356 -49.0356 -43.1565 -43.1565 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2896 -9.2895 -9.1149 -9.1148 0.0032 0.0032 0.7089 0.7093 1.2554 1.2557 1.2634 1.2634 1.6394 1.6403 1.9678 1.9678 2.5085 2.5097 4.7774 4.7788 6.0490 6.0500 8.4427 8.4430 k = 0.0000 0.0000 0.0966 ( 13103 PWs) bands (ev): -49.0356 -49.0356 -43.1565 -43.1565 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2869 -9.2868 -9.1179 -9.1178 0.0216 0.0216 0.7166 0.7171 1.2474 1.2479 1.2648 1.2649 1.5802 1.5810 1.9592 1.9592 2.5687 2.5699 4.6971 4.6985 6.1466 6.1476 8.4504 8.4508 k = 0.0000 0.0000 0.1087 ( 13112 PWs) bands (ev): -49.0356 -49.0356 -43.1564 -43.1564 -43.1413 -43.1413 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2839 -9.2838 -9.1213 -9.1212 0.0423 0.0424 0.7253 0.7258 1.2335 1.2340 1.2710 1.2711 1.5218 1.5226 1.9498 1.9498 2.6289 2.6302 4.6179 4.6193 6.2450 6.2460 8.4584 8.4589 k = 0.0000 0.0000 0.1208 ( 13107 PWs) bands (ev): -49.0356 -49.0356 -43.1564 -43.1564 -43.1414 -43.1414 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2805 -9.2804 -9.1250 -9.1249 0.0653 0.0654 0.7348 0.7354 1.2171 1.2178 1.2780 1.2781 1.4647 1.4653 1.9397 1.9397 2.6891 2.6904 4.5399 4.5413 6.3441 6.3450 8.4663 8.4668 k = 0.0000 0.0000 0.1328 ( 13102 PWs) bands (ev): -49.0356 -49.0356 -43.1564 -43.1564 -43.1414 -43.1414 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2769 -9.2768 -9.1290 -9.1289 0.0905 0.0906 0.7451 0.7458 1.1981 1.1990 1.2856 1.2857 1.4095 1.4100 1.9289 1.9290 2.7493 2.7506 4.4630 4.4645 6.4436 6.4445 8.4734 8.4740 k = 0.0000 0.0000 0.1449 ( 13093 PWs) bands (ev): -49.0356 -49.0356 -43.1564 -43.1564 -43.1414 -43.1414 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2730 -9.2729 -9.1333 -9.1332 0.1179 0.1181 0.7561 0.7570 1.1758 1.1769 1.2936 1.2937 1.3572 1.3576 1.9178 1.9178 2.8095 2.8109 4.3874 4.3889 6.5435 6.5443 8.4789 8.4796 k = 0.0000 0.0000 0.1570 ( 13091 PWs) bands (ev): -49.0356 -49.0356 -43.1564 -43.1564 -43.1414 -43.1414 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9667 -20.9268 -20.9268 -9.2688 -9.2687 -9.1379 -9.1377 0.1474 0.1476 0.7676 0.7687 1.1491 1.1506 1.3008 1.3017 1.3095 1.3103 1.9064 1.9064 2.8698 2.8712 4.3129 4.3144 6.6433 6.6441 8.4817 8.4825 k = 0.0000 0.0000 0.1691 ( 13084 PWs) bands (ev): -49.0356 -49.0356 -43.1564 -43.1564 -43.1414 -43.1414 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9667 -20.9268 -20.9268 -9.2644 -9.2643 -9.1427 -9.1425 0.1789 0.1791 0.7796 0.7809 1.1170 1.1189 1.2661 1.2665 1.3106 1.3107 1.8948 1.8948 2.9301 2.9315 4.2396 4.2411 6.7430 6.7437 8.4797 8.4807 k = 0.0000 0.0000 0.1812 ( 13084 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1414 -43.1414 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9667 -20.9268 -20.9268 -9.2598 -9.2597 -9.1476 -9.1475 0.2124 0.2125 0.7916 0.7932 1.0792 1.0815 1.2298 1.2303 1.3191 1.3191 1.8834 1.8834 2.9905 2.9919 4.1675 4.1689 6.8422 6.8428 8.4702 8.4713 k = 0.0000 0.0000 0.1932 ( 13089 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9667 -20.9268 -20.9268 -9.2551 -9.2549 -9.1527 -9.1526 0.2476 0.2478 0.8033 0.8053 1.0368 1.0397 1.1992 1.1999 1.3275 1.3275 1.8722 1.8723 3.0510 3.0524 4.0964 4.0979 6.9403 6.9409 8.4497 8.4509 k = 0.0000 0.0000 0.2053 ( 13100 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2502 -9.2500 -9.1580 -9.1578 0.2845 0.2847 0.8136 0.8163 0.9924 0.9958 1.1732 1.1739 1.3355 1.3356 1.8616 1.8616 3.1116 3.1130 4.0265 4.0280 7.0369 7.0374 8.4162 8.4174 k = 0.0000 0.0000 0.2174 ( 13100 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2452 -9.2450 -9.1632 -9.1630 0.3229 0.3231 0.8201 0.8238 0.9495 0.9539 1.1505 1.1512 1.3431 1.3431 1.8517 1.8517 3.1722 3.1737 3.9578 3.9593 7.1311 7.1316 8.3705 8.3717 k = 0.0000 0.0000 0.2295 ( 13095 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2403 -9.2401 -9.1684 -9.1682 0.3625 0.3628 0.8169 0.8215 0.9156 0.9208 1.1303 1.1310 1.3500 1.3500 1.8428 1.8428 3.2329 3.2343 3.8903 3.8917 7.2218 7.2222 8.3164 8.3174 k = 0.0000 0.0000 0.2415 ( 13091 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2355 -9.2353 -9.1734 -9.1732 0.4028 0.4032 0.7961 0.8000 0.9008 0.9052 1.1125 1.1131 1.3560 1.3560 1.8351 1.8351 3.2935 3.2949 3.8241 3.8256 7.3071 7.3074 8.2582 8.2591 k = 0.0000 0.0000 0.2536 ( 13100 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2310 -9.2309 -9.1780 -9.1779 0.4432 0.4435 0.7611 0.7637 0.9013 0.9042 1.0973 1.0978 1.3610 1.3610 1.8288 1.8288 3.3535 3.3549 3.7597 3.7611 7.3842 7.3844 8.2009 8.2016 k = 0.0000 0.0000 0.2657 ( 13096 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2272 -9.2271 -9.1819 -9.1818 0.4816 0.4820 0.7228 0.7244 0.9065 0.9082 1.0854 1.0858 1.3646 1.3646 1.8242 1.8242 3.4119 3.4133 3.6983 3.6996 7.4483 7.4484 8.1503 8.1508 k = 0.0000 0.0000 0.2778 ( 13098 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2245 -9.2244 -9.1846 -9.1846 0.5136 0.5139 0.6901 0.6910 0.9112 0.9120 1.0777 1.0779 1.3669 1.3669 1.8213 1.8213 3.4644 3.4655 3.6441 3.6452 7.4924 7.4924 8.1142 8.1144 k = 0.0000 0.0000 0.2899 ( 13098 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2235 -9.2235 -9.1856 -9.1856 0.5277 0.5277 0.6761 0.6761 0.9133 0.9133 1.0750 1.0750 1.3676 1.3676 1.8204 1.8204 3.4918 3.4918 3.6173 3.6173 7.5084 7.5084 8.1009 8.1009 k = 0.0000 0.0000 0.2899 ( 13098 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2235 -9.2235 -9.1856 -9.1856 0.5277 0.5277 0.6761 0.6761 0.9133 0.9133 1.0750 1.0750 1.3676 1.3676 1.8204 1.8204 3.4918 3.4918 3.6173 3.6173 7.5084 7.5084 8.1009 8.1009 k = 0.0000 0.0120 0.2899 ( 13086 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2235 -9.2235 -9.1857 -9.1857 0.5265 0.5266 0.6742 0.6745 0.9135 0.9138 1.0764 1.0765 1.3679 1.3679 1.8207 1.8207 3.4940 3.4940 3.6188 3.6189 7.5050 7.5051 8.0994 8.0994 k = 0.0000 0.0240 0.2899 ( 13089 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9667 -20.9268 -20.9268 -9.2237 -9.2237 -9.1858 -9.1858 0.5232 0.5232 0.6688 0.6693 0.9144 0.9150 1.0806 1.0807 1.3689 1.3689 1.8215 1.8215 3.5006 3.5007 3.6235 3.6237 7.4951 7.4952 8.0949 8.0949 k = 0.0000 0.0360 0.2899 ( 13087 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2239 -9.2239 -9.1860 -9.1860 0.5176 0.5176 0.6602 0.6610 0.9161 0.9169 1.0874 1.0875 1.3704 1.3704 1.8230 1.8230 3.5116 3.5117 3.6313 3.6316 7.4791 7.4793 8.0871 8.0871 k = 0.0000 0.0480 0.2899 ( 13092 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2242 -9.2242 -9.1863 -9.1863 0.5098 0.5099 0.6488 0.6498 0.9184 0.9195 1.0963 1.0965 1.3725 1.3726 1.8250 1.8250 3.5267 3.5269 3.6422 3.6425 7.4578 7.4580 8.0758 8.0759 k = 0.0000 0.0600 0.2899 ( 13089 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9668 -20.9668 -20.9268 -20.9268 -9.2246 -9.2245 -9.1867 -9.1867 0.5000 0.5002 0.6350 0.6362 0.9215 0.9227 1.1071 1.1073 1.3753 1.3753 1.8276 1.8276 3.5457 3.5459 3.6562 3.6565 7.4318 7.4321 8.0609 8.0609 k = 0.0000 0.0720 0.2899 ( 13089 PWs) bands (ev): -49.0356 -49.0356 -43.1562 -43.1562 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1309 -21.1309 -20.9669 -20.9669 -20.9268 -20.9268 -9.2250 -9.2250 -9.1872 -9.1872 0.4882 0.4884 0.6194 0.6207 0.9254 0.9266 1.1193 1.1195 1.3786 1.3786 1.8307 1.8307 3.5684 3.5687 3.6731 3.6735 7.4022 7.4025 8.0421 8.0422 k = 0.0000 0.0840 0.2899 ( 13089 PWs) bands (ev): -49.0356 -49.0356 -43.1562 -43.1562 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1309 -21.1309 -20.9669 -20.9669 -20.9268 -20.9268 -9.2255 -9.2255 -9.1877 -9.1877 0.4746 0.4748 0.6022 0.6036 0.9299 0.9312 1.1325 1.1327 1.3824 1.3824 1.8343 1.8343 3.5944 3.5947 3.6928 3.6933 7.3697 7.3701 8.0199 8.0200 k = 0.0000 0.0960 0.2899 ( 13089 PWs) bands (ev): -49.0356 -49.0356 -43.1562 -43.1562 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1310 -21.1310 -20.9670 -20.9670 -20.9268 -20.9268 -9.2261 -9.2261 -9.1884 -9.1883 0.4593 0.4596 0.5839 0.5854 0.9353 0.9366 1.1465 1.1467 1.3868 1.3868 1.8385 1.8385 3.6232 3.6236 3.7153 3.7159 7.3353 7.3358 7.9944 7.9945 k = 0.0000 0.1080 0.2899 ( 13093 PWs) bands (ev): -49.0356 -49.0356 -43.1562 -43.1562 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1310 -21.1310 -20.9670 -20.9670 -20.9268 -20.9268 -9.2268 -9.2268 -9.1890 -9.1890 0.4425 0.4428 0.5648 0.5664 0.9413 0.9427 1.1610 1.1612 1.3917 1.3917 1.8431 1.8431 3.6546 3.6550 3.7405 3.7412 7.2998 7.3004 7.9662 7.9664 k = 0.0000 0.1200 0.2899 ( 13094 PWs) bands (ev): -49.0356 -49.0356 -43.1562 -43.1562 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1311 -21.1311 -20.9671 -20.9671 -20.9268 -20.9268 -9.2276 -9.2275 -9.1898 -9.1898 0.4243 0.4247 0.5452 0.5468 0.9481 0.9495 1.1757 1.1759 1.3971 1.3971 1.8481 1.8481 3.6879 3.6884 3.7682 3.7689 7.2641 7.2646 7.9358 7.9361 k = 0.0000 0.1320 0.2899 ( 13100 PWs) bands (ev): -49.0356 -49.0356 -43.1562 -43.1562 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1312 -21.1312 -20.9672 -20.9672 -20.9268 -20.9268 -9.2283 -9.2283 -9.1906 -9.1906 0.4049 0.4053 0.5253 0.5270 0.9557 0.9570 1.1905 1.1907 1.4029 1.4029 1.8536 1.8536 3.7227 3.7232 3.7983 3.7991 7.2287 7.2293 7.9040 7.9043 k = 0.0000 0.1440 0.2899 ( 13106 PWs) bands (ev): -49.0356 -49.0356 -43.1562 -43.1562 -43.1415 -43.1415 -43.0915 -43.0915 -42.8761 -42.8761 -42.3971 -42.3971 -21.1312 -21.1312 -20.9673 -20.9673 -20.9268 -20.9268 -9.2292 -9.2292 -9.1915 -9.1915 0.3846 0.3850 0.5054 0.5070 0.9639 0.9652 1.2052 1.2054 1.4091 1.4091 1.8595 1.8595 3.7586 3.7592 3.8306 3.8315 7.1945 7.1951 7.8712 7.8716 k = 0.0000 0.1560 0.2899 ( 13102 PWs) bands (ev): -49.0356 -49.0356 -43.1561 -43.1561 -43.1414 -43.1414 -43.0915 -43.0915 -42.8761 -42.8761 -42.3971 -42.3971 -21.1313 -21.1313 -20.9673 -20.9673 -20.9268 -20.9268 -9.2301 -9.2301 -9.1924 -9.1924 0.3635 0.3640 0.4856 0.4872 0.9727 0.9740 1.2197 1.2200 1.4156 1.4157 1.8657 1.8657 3.7951 3.7956 3.8648 3.8658 7.1620 7.1627 7.8381 7.8385 k = 0.0000 0.1680 0.2899 ( 13108 PWs) bands (ev): -49.0356 -49.0356 -43.1561 -43.1561 -43.1414 -43.1414 -43.0915 -43.0915 -42.8761 -42.8761 -42.3971 -42.3971 -21.1314 -21.1314 -20.9674 -20.9674 -20.9268 -20.9268 -9.2310 -9.2310 -9.1934 -9.1933 0.3418 0.3423 0.4660 0.4676 0.9821 0.9834 1.2340 1.2342 1.4225 1.4226 1.8722 1.8722 3.8318 3.8323 3.9007 3.9017 7.1319 7.1327 7.8053 7.8057 k = 0.0000 0.1800 0.2899 ( 13122 PWs) bands (ev): -49.0356 -49.0356 -43.1561 -43.1561 -43.1414 -43.1414 -43.0915 -43.0915 -42.8761 -42.8761 -42.3971 -42.3971 -21.1315 -21.1315 -20.9675 -20.9675 -20.9268 -20.9268 -9.2320 -9.2320 -9.1944 -9.1943 0.3197 0.3202 0.4468 0.4484 0.9921 0.9933 1.2479 1.2482 1.4297 1.4298 1.8790 1.8790 3.8683 3.8689 3.9378 3.9388 7.1049 7.1056 7.7733 7.7737 k = 0.0000 0.1920 0.2899 ( 13119 PWs) bands (ev): -49.0356 -49.0356 -43.1561 -43.1561 -43.1414 -43.1414 -43.0915 -43.0915 -42.8761 -42.8761 -42.3971 -42.3971 -21.1315 -21.1315 -20.9676 -20.9676 -20.9268 -20.9268 -9.2330 -9.2330 -9.1954 -9.1953 0.2974 0.2979 0.4281 0.4296 1.0025 1.0037 1.2614 1.2617 1.4371 1.4372 1.8860 1.8860 3.9046 3.9051 3.9756 3.9766 7.0813 7.0821 7.7424 7.7429 k = 0.0000 0.2040 0.2899 ( 13099 PWs) bands (ev): -49.0356 -49.0356 -43.1561 -43.1561 -43.1414 -43.1414 -43.0915 -43.0915 -42.8761 -42.8761 -42.3971 -42.3971 -21.1316 -21.1316 -20.9677 -20.9677 -20.9268 -20.9268 -9.2340 -9.2340 -9.1964 -9.1964 0.2751 0.2755 0.4099 0.4114 1.0132 1.0144 1.2745 1.2748 1.4447 1.4448 1.8932 1.8932 3.9402 3.9407 4.0137 4.0147 7.0618 7.0626 7.7132 7.7137 k = 0.0000 0.2160 0.2899 ( 13097 PWs) bands (ev): -49.0356 -49.0356 -43.1560 -43.1560 -43.1414 -43.1414 -43.0915 -43.0915 -42.8761 -42.8761 -42.3971 -42.3971 -21.1317 -21.1317 -20.9678 -20.9678 -20.9268 -20.9268 -9.2350 -9.2350 -9.1975 -9.1974 0.2528 0.2532 0.3924 0.3938 1.0243 1.0254 1.2872 1.2874 1.4524 1.4525 1.9005 1.9005 3.9751 3.9756 4.0516 4.0526 7.0467 7.0476 7.6861 7.6866 k = 0.0000 0.2280 0.2899 ( 13099 PWs) bands (ev): -49.0356 -49.0356 -43.1560 -43.1560 -43.1414 -43.1414 -43.0915 -43.0915 -42.8761 -42.8761 -42.3971 -42.3971 -21.1318 -21.1318 -20.9679 -20.9679 -20.9268 -20.9268 -9.2361 -9.2360 -9.1985 -9.1985 0.2309 0.2313 0.3756 0.3770 1.0356 1.0366 1.2993 1.2996 1.4602 1.4603 1.9079 1.9079 4.0088 4.0093 4.0888 4.0898 7.0365 7.0374 7.6613 7.6618 k = 0.0000 0.2400 0.2899 ( 13102 PWs) bands (ev): -49.0356 -49.0356 -43.1560 -43.1560 -43.1413 -43.1413 -43.0915 -43.0915 -42.8762 -42.8762 -42.3971 -42.3971 -21.1319 -21.1319 -20.9680 -20.9680 -20.9268 -20.9268 -9.2371 -9.2371 -9.1996 -9.1995 0.2093 0.2097 0.3595 0.3608 1.0469 1.0479 1.3110 1.3113 1.4681 1.4681 1.9154 1.9154 4.0412 4.0417 4.1251 4.1261 7.0315 7.0324 7.6391 7.6396 k = 0.0000 0.2520 0.2899 ( 13099 PWs) bands (ev): -49.0356 -49.0356 -43.1560 -43.1560 -43.1413 -43.1413 -43.0915 -43.0915 -42.8762 -42.8762 -42.3971 -42.3971 -21.1320 -21.1320 -20.9681 -20.9681 -20.9268 -20.9268 -9.2381 -9.2381 -9.2006 -9.2005 0.1884 0.1888 0.3441 0.3454 1.0583 1.0593 1.3222 1.3224 1.4759 1.4759 1.9228 1.9228 4.0720 4.0724 4.1602 4.1612 7.0320 7.0329 7.6198 7.6203 k = 0.0000 0.2640 0.2899 ( 13084 PWs) bands (ev): -49.0356 -49.0356 -43.1559 -43.1559 -43.1413 -43.1413 -43.0915 -43.0915 -42.8762 -42.8762 -42.3971 -42.3971 -21.1321 -21.1321 -20.9682 -20.9682 -20.9268 -20.9268 -9.2392 -9.2391 -9.2016 -9.2016 0.1681 0.1685 0.3296 0.3308 1.0696 1.0705 1.3328 1.3331 1.4836 1.4836 1.9301 1.9301 4.1008 4.1012 4.1939 4.1948 7.0381 7.0390 7.6035 7.6040 k = 0.0000 0.2760 0.2899 ( 13079 PWs) bands (ev): -49.0356 -49.0356 -43.1559 -43.1559 -43.1413 -43.1413 -43.0915 -43.0915 -42.8762 -42.8762 -42.3971 -42.3971 -21.1322 -21.1321 -20.9683 -20.9683 -20.9268 -20.9268 -9.2402 -9.2401 -9.2026 -9.2026 0.1486 0.1490 0.3159 0.3171 1.0808 1.0816 1.3430 1.3432 1.4911 1.4912 1.9373 1.9373 4.1274 4.1278 4.2260 4.2269 7.0499 7.0508 7.5904 7.5909 k = 0.0000 0.2880 0.2899 ( 13077 PWs) bands (ev): -49.0356 -49.0356 -43.1559 -43.1559 -43.1413 -43.1413 -43.0915 -43.0915 -42.8762 -42.8762 -42.3971 -42.3971 -21.1322 -21.1322 -20.9684 -20.9683 -20.9268 -20.9267 -9.2411 -9.2411 -9.2036 -9.2035 0.1300 0.1304 0.3030 0.3041 1.0916 1.0924 1.3526 1.3529 1.4985 1.4986 1.9444 1.9444 4.1516 4.1520 4.2564 4.2574 7.0673 7.0682 7.5806 7.5811 k = 0.0000 0.3000 0.2899 ( 13091 PWs) bands (ev): -49.0356 -49.0356 -43.1559 -43.1559 -43.1413 -43.1413 -43.0915 -43.0915 -42.8762 -42.8762 -42.3971 -42.3971 -21.1323 -21.1323 -20.9684 -20.9684 -20.9267 -20.9267 -9.2421 -9.2420 -9.2045 -9.2044 0.1124 0.1128 0.2910 0.2921 1.1021 1.1029 1.3617 1.3619 1.5056 1.5057 1.9512 1.9512 4.1732 4.1736 4.2851 4.2860 7.0902 7.0912 7.5742 7.5746 k = 0.0000 0.3120 0.2899 ( 13099 PWs) bands (ev): -49.0356 -49.0356 -43.1559 -43.1559 -43.1413 -43.1413 -43.0915 -43.0915 -42.8762 -42.8762 -42.3971 -42.3971 -21.1324 -21.1324 -20.9685 -20.9685 -20.9267 -20.9267 -9.2430 -9.2429 -9.2054 -9.2053 0.0959 0.0963 0.2799 0.2809 1.1122 1.1129 1.3702 1.3705 1.5124 1.5125 1.9577 1.9577 4.1922 4.1926 4.3120 4.3129 7.1184 7.1194 7.5710 7.5714 k = 0.0000 0.3240 0.2899 ( 13092 PWs) bands (ev): -49.0355 -49.0355 -43.1559 -43.1559 -43.1412 -43.1412 -43.0915 -43.0915 -42.8762 -42.8762 -42.3971 -42.3971 -21.1325 -21.1324 -20.9686 -20.9686 -20.9267 -20.9267 -9.2438 -9.2438 -9.2062 -9.2061 0.0806 0.0809 0.2697 0.2706 1.1216 1.1223 1.3783 1.3785 1.5189 1.5189 1.9639 1.9639 4.2087 4.2090 4.3370 4.3378 7.1514 7.1524 7.5711 7.5716 k = 0.0000 0.3360 0.2899 ( 13090 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0915 -43.0915 -42.8762 -42.8762 -42.3971 -42.3971 -21.1325 -21.1325 -20.9687 -20.9687 -20.9267 -20.9267 -9.2446 -9.2445 -9.2070 -9.2069 0.0664 0.0667 0.2603 0.2612 1.1305 1.1310 1.3857 1.3859 1.5249 1.5250 1.9697 1.9697 4.2227 4.2230 4.3599 4.3606 7.1887 7.1896 7.5746 7.5749 k = 0.0000 0.3480 0.2899 ( 13101 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8762 -42.8762 -42.3971 -42.3971 -21.1326 -21.1326 -20.9687 -20.9687 -20.9267 -20.9267 -9.2453 -9.2453 -9.2077 -9.2076 0.0535 0.0539 0.2519 0.2527 1.1386 1.1391 1.3926 1.3928 1.5305 1.5306 1.9750 1.9750 4.2344 4.2347 4.3807 4.3814 7.2294 7.2303 7.5812 7.5815 k = 0.0000 0.3600 0.2899 ( 13101 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1326 -21.1326 -20.9688 -20.9688 -20.9267 -20.9267 -9.2460 -9.2460 -9.2083 -9.2082 0.0420 0.0423 0.2443 0.2451 1.1459 1.1463 1.3989 1.3991 1.5356 1.5357 1.9799 1.9800 4.2442 4.2444 4.3993 4.3999 7.2725 7.2734 7.5913 7.5915 k = 0.0000 0.3720 0.2899 ( 13102 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1327 -21.1327 -20.9688 -20.9688 -20.9267 -20.9267 -9.2466 -9.2466 -9.2088 -9.2088 0.0318 0.0321 0.2377 0.2384 1.1523 1.1527 1.4046 1.4048 1.5402 1.5402 1.9843 1.9844 4.2521 4.2523 4.4155 4.4161 7.3166 7.3174 7.6051 7.6053 k = 0.0000 0.3840 0.2899 ( 13090 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1327 -21.1327 -20.9689 -20.9689 -20.9267 -20.9267 -9.2471 -9.2471 -9.2093 -9.2093 0.0230 0.0234 0.2320 0.2326 1.1578 1.1582 1.4097 1.4098 1.5442 1.5442 1.9882 1.9882 4.2586 4.2587 4.4294 4.4299 7.3596 7.3604 7.6234 7.6235 k = 0.0000 0.3960 0.2899 ( 13090 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9689 -20.9689 -20.9267 -20.9267 -9.2476 -9.2476 -9.2097 -9.2097 0.0157 0.0160 0.2271 0.2277 1.1624 1.1627 1.4141 1.4142 1.5475 1.5476 1.9915 1.9915 4.2637 4.2639 4.4408 4.4413 7.3991 7.3998 7.6473 7.6474 k = 0.0000 0.4080 0.2899 ( 13098 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2480 -9.2479 -9.2100 -9.2100 0.0098 0.0101 0.2232 0.2237 1.1659 1.1662 1.4179 1.4180 1.5503 1.5503 1.9942 1.9942 4.2679 4.2680 4.4498 4.4501 7.4322 7.4327 7.6782 7.6785 k = 0.0000 0.4200 0.2899 ( 13101 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2483 -9.2482 -9.2103 -9.2102 0.0055 0.0057 0.2202 0.2207 1.1684 1.1686 1.4209 1.4210 1.5523 1.5524 1.9962 1.9962 4.2712 4.2713 4.4562 4.4564 7.4566 7.4569 7.7167 7.7171 k = 0.0000 0.4320 0.2899 ( 13102 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2485 -9.2485 -9.2104 -9.2103 0.0026 0.0028 0.2181 0.2185 1.1699 1.1700 1.4233 1.4233 1.5537 1.5538 1.9977 1.9977 4.2738 4.2739 4.4600 4.4602 7.4717 7.4718 7.7613 7.7618 k = 0.0000 0.4440 0.2899 ( 13099 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2487 -9.2486 -9.2104 -9.2104 0.0012 0.0015 0.2168 0.2172 1.1703 1.1703 1.4249 1.4249 1.5544 1.5545 1.9984 1.9984 4.2759 4.2759 4.4612 4.4614 7.4778 7.4779 7.8078 7.8083 k = 0.0000 0.4440 0.2899 ( 13099 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2487 -9.2486 -9.2104 -9.2104 0.0012 0.0015 0.2168 0.2172 1.1703 1.1703 1.4249 1.4249 1.5544 1.5545 1.9984 1.9984 4.2759 4.2759 4.4612 4.4614 7.4778 7.4779 7.8078 7.8083 k = 0.0000 0.4475 0.2842 ( 13095 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2482 -9.2482 -9.2109 -9.2109 0.0072 0.0073 0.2097 0.2099 1.1755 1.1755 1.4195 1.4195 1.5549 1.5549 1.9980 1.9980 4.2898 4.2899 4.4490 4.4490 7.4826 7.4826 7.8287 7.8290 k = 0.0000 0.4509 0.2786 ( 13096 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2481 -9.2481 -9.2110 -9.2110 0.0093 0.0093 0.2073 0.2073 1.1773 1.1773 1.4176 1.4176 1.5551 1.5551 1.9979 1.9979 4.2950 4.2950 4.4444 4.4444 7.4842 7.4842 7.8370 7.8370 k = 0.0000 0.4509 0.2786 ( 13096 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2481 -9.2481 -9.2110 -9.2110 0.0093 0.0093 0.2073 0.2073 1.1773 1.1773 1.4176 1.4176 1.5551 1.5551 1.9979 1.9979 4.2950 4.2950 4.4444 4.4444 7.4842 7.4842 7.8370 7.8370 k = 0.0122 0.4509 0.2786 ( 13098 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1330 -21.1327 -20.9691 -20.9689 -20.9269 -20.9265 -9.2480 -9.2480 -9.2109 -9.2109 0.0103 0.0103 0.2082 0.2083 1.1772 1.1774 1.4144 1.4155 1.5551 1.5564 1.9968 1.9970 4.2945 4.2945 4.4438 4.4438 7.4851 7.4851 7.8378 7.8378 k = 0.0244 0.4509 0.2786 ( 13094 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8762 -42.8762 -42.3972 -42.3972 -21.1331 -21.1326 -20.9692 -20.9688 -20.9272 -20.9264 -9.2478 -9.2478 -9.2106 -9.2105 0.0132 0.0132 0.2110 0.2111 1.1771 1.1775 1.4061 1.4083 1.5565 1.5589 1.9936 1.9941 4.2929 4.2930 4.4420 4.4422 7.4875 7.4876 7.8392 7.8393 k = 0.0366 0.4509 0.2786 ( 13098 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8762 -42.8762 -42.3972 -42.3972 -21.1332 -21.1325 -20.9692 -20.9688 -20.9275 -20.9263 -9.2474 -9.2474 -9.2099 -9.2098 0.0180 0.0181 0.2157 0.2159 1.1770 1.1776 1.3936 1.3966 1.5583 1.5616 1.9886 1.9893 4.2903 4.2904 4.4391 4.4393 7.4908 7.4909 7.8359 7.8362 k = 0.0488 0.4509 0.2786 ( 13100 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8761 -42.8761 -42.3973 -42.3973 -21.1334 -21.1325 -20.9693 -20.9687 -20.9279 -20.9263 -9.2469 -9.2468 -9.2091 -9.2089 0.0248 0.0248 0.2223 0.2225 1.1768 1.1776 1.3778 1.3814 1.5598 1.5638 1.9819 1.9828 4.2865 4.2866 4.4349 4.4351 7.4931 7.4932 7.8115 7.8121 k = 0.0610 0.4509 0.2786 ( 13100 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1411 -43.1411 -43.0916 -43.0916 -42.8760 -42.8760 -42.3974 -42.3974 -21.1335 -21.1324 -20.9694 -20.9686 -20.9283 -20.9263 -9.2462 -9.2462 -9.2079 -9.2077 0.0335 0.0335 0.2307 0.2309 1.1765 1.1775 1.3594 1.3634 1.5602 1.5648 1.9737 1.9748 4.2815 4.2816 4.4293 4.4296 7.4910 7.4911 7.7625 7.7632 k = 0.0732 0.4509 0.2786 ( 13090 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1411 -43.1411 -43.0915 -43.0915 -42.8759 -42.8759 -42.3975 -42.3975 -21.1337 -21.1324 -20.9695 -20.9685 -20.9287 -20.9264 -9.2454 -9.2454 -9.2066 -9.2063 0.0441 0.0441 0.2409 0.2412 1.1758 1.1771 1.3391 1.3435 1.5590 1.5639 1.9644 1.9657 4.2751 4.2752 4.4222 4.4226 7.4778 7.4779 7.7093 7.7100 k = 0.0854 0.4509 0.2786 ( 13100 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1411 -43.1411 -43.0915 -43.0915 -42.8758 -42.8758 -42.3976 -42.3976 -21.1339 -21.1323 -20.9695 -20.9684 -20.9292 -20.9265 -9.2445 -9.2444 -9.2049 -9.2046 0.0565 0.0566 0.2530 0.2534 1.1745 1.1762 1.3174 1.3221 1.5555 1.5607 1.9542 1.9558 4.2671 4.2672 4.4134 4.4139 7.4441 7.4444 7.6680 7.6685 k = 0.0976 0.4509 0.2786 ( 13098 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1411 -43.1411 -43.0915 -43.0915 -42.8757 -42.8757 -42.3977 -42.3977 -21.1340 -21.1323 -20.9696 -20.9683 -20.9297 -20.9266 -9.2434 -9.2433 -9.2031 -9.2027 0.0709 0.0710 0.2669 0.2673 1.1723 1.1744 1.2950 1.3001 1.5496 1.5550 1.9436 1.9453 4.2574 4.2575 4.4028 4.4033 7.3869 7.3874 7.6433 7.6436 k = 0.1098 0.4509 0.2786 ( 13098 PWs) bands (ev): -49.0354 -49.0354 -43.1558 -43.1558 -43.1411 -43.1411 -43.0915 -43.0915 -42.8755 -42.8755 -42.3979 -42.3979 -21.1342 -21.1323 -20.9697 -20.9683 -20.9302 -20.9268 -9.2422 -9.2422 -9.2010 -9.2006 0.0871 0.0872 0.2826 0.2831 1.1686 1.1711 1.2728 1.2783 1.5412 1.5467 1.9328 1.9346 4.2457 4.2458 4.3902 4.3907 7.3138 7.3144 7.6263 7.6265 k = 0.1220 0.4509 0.2786 ( 13108 PWs) bands (ev): -49.0354 -49.0354 -43.1558 -43.1558 -43.1411 -43.1411 -43.0915 -43.0915 -42.8753 -42.8753 -42.3981 -42.3981 -21.1344 -21.1323 -20.9698 -20.9682 -20.9307 -20.9271 -9.2409 -9.2409 -9.1987 -9.1982 0.1051 0.1052 0.3000 0.3006 1.1624 1.1652 1.2519 1.2577 1.5301 1.5356 1.9222 1.9240 4.2318 4.2319 4.3753 4.3758 7.2334 7.2341 7.6059 7.6060 k = 0.1341 0.4509 0.2786 ( 13112 PWs) bands (ev): -49.0354 -49.0354 -43.1558 -43.1558 -43.1410 -43.1410 -43.0915 -43.0915 -42.8751 -42.8751 -42.3983 -42.3983 -21.1346 -21.1323 -20.9698 -20.9681 -20.9313 -20.9274 -9.2396 -9.2395 -9.1962 -9.1957 0.1249 0.1250 0.3192 0.3198 1.1523 1.1552 1.2340 1.2397 1.5165 1.5220 1.9118 1.9137 4.2155 4.2156 4.3579 4.3584 7.1511 7.1519 7.5754 7.5757 k = 0.1463 0.4509 0.2786 ( 13112 PWs) bands (ev): -49.0354 -49.0354 -43.1558 -43.1558 -43.1410 -43.1410 -43.0915 -43.0915 -42.8749 -42.8749 -42.3985 -42.3985 -21.1348 -21.1323 -20.9699 -20.9681 -20.9319 -20.9277 -9.2381 -9.2380 -9.1935 -9.1930 0.1465 0.1466 0.3401 0.3407 1.1374 1.1398 1.2203 1.2253 1.5008 1.5062 1.9020 1.9038 4.1966 4.1967 4.3379 4.3383 7.0700 7.0708 7.5345 7.5350 k = 0.1585 0.4509 0.2786 ( 13110 PWs) bands (ev): -49.0353 -49.0353 -43.1558 -43.1558 -43.1410 -43.1410 -43.0915 -43.0915 -42.8747 -42.8747 -42.3987 -42.3987 -21.1350 -21.1324 -20.9699 -20.9680 -20.9325 -20.9280 -9.2365 -9.2364 -9.1907 -9.1901 0.1698 0.1699 0.3625 0.3632 1.1179 1.1195 1.2103 1.2143 1.4834 1.4886 1.8926 1.8943 4.1747 4.1748 4.3149 4.3153 6.9918 6.9927 7.4869 7.4876 k = 0.1707 0.4509 0.2786 ( 13100 PWs) bands (ev): -49.0353 -49.0353 -43.1558 -43.1558 -43.1410 -43.1410 -43.0915 -43.0915 -42.8745 -42.8745 -42.3989 -42.3989 -21.1352 -21.1325 -20.9700 -20.9679 -20.9331 -20.9284 -9.2349 -9.2348 -9.1877 -9.1871 0.1948 0.1949 0.3866 0.3873 1.0948 1.0957 1.2022 1.2053 1.4650 1.4699 1.8837 1.8853 4.1497 4.1498 4.2888 4.2892 6.9180 6.9189 7.4366 7.4374 k = 0.1829 0.4509 0.2786 ( 13090 PWs) bands (ev): -49.0353 -49.0353 -43.1558 -43.1558 -43.1409 -43.1409 -43.0915 -43.0915 -42.8742 -42.8742 -42.3991 -42.3991 -21.1353 -21.1325 -20.9701 -20.9679 -20.9338 -20.9288 -9.2332 -9.2331 -9.1845 -9.1839 0.2213 0.2215 0.4122 0.4130 1.0696 1.0701 1.1945 1.1967 1.4463 1.4509 1.8752 1.8767 4.1213 4.1215 4.2596 4.2599 6.8493 6.8502 7.3866 7.3874 k = 0.1951 0.4509 0.2786 ( 13090 PWs) bands (ev): -49.0353 -49.0353 -43.1558 -43.1558 -43.1409 -43.1409 -43.0915 -43.0915 -42.8740 -42.8740 -42.3994 -42.3994 -21.1355 -21.1326 -20.9701 -20.9679 -20.9344 -20.9293 -9.2314 -9.2313 -9.1812 -9.1806 0.2495 0.2496 0.4393 0.4401 1.0430 1.0436 1.1857 1.1871 1.4283 1.4325 1.8671 1.8685 4.0894 4.0896 4.2270 4.2272 6.7865 6.7875 7.3386 7.3395 k = 0.2073 0.4509 0.2786 ( 13098 PWs) bands (ev): -49.0352 -49.0352 -43.1558 -43.1558 -43.1409 -43.1409 -43.0915 -43.0915 -42.8738 -42.8738 -42.3996 -42.3996 -21.1357 -21.1327 -20.9702 -20.9678 -20.9350 -20.9297 -9.2296 -9.2295 -9.1778 -9.1772 0.2791 0.2792 0.4678 0.4686 1.0160 1.0168 1.1747 1.1754 1.4118 1.4155 1.8593 1.8606 4.0537 4.0540 4.1911 4.1913 6.7301 6.7310 7.2940 7.2949 k = 0.2195 0.4509 0.2786 ( 13090 PWs) bands (ev): -49.0352 -49.0352 -43.1558 -43.1558 -43.1409 -43.1409 -43.0915 -43.0915 -42.8735 -42.8735 -42.3999 -42.3999 -21.1359 -21.1328 -20.9702 -20.9678 -20.9356 -20.9302 -9.2278 -9.2277 -9.1744 -9.1737 0.3100 0.3102 0.4976 0.4984 0.9889 0.9900 1.1610 1.1611 1.3977 1.4008 1.8517 1.8528 4.0142 4.0146 4.1520 4.1521 6.6803 6.6813 7.2535 7.2544 k = 0.2317 0.4509 0.2786 ( 13096 PWs) bands (ev): -49.0352 -49.0352 -43.1558 -43.1558 -43.1408 -43.1408 -43.0914 -43.0914 -42.8732 -42.8732 -42.4001 -42.4001 -21.1361 -21.1330 -20.9703 -20.9678 -20.9362 -20.9307 -9.2259 -9.2258 -9.1708 -9.1701 0.3422 0.3425 0.5285 0.5294 0.9623 0.9636 1.1435 1.1441 1.3866 1.3891 1.8442 1.8452 3.9709 3.9713 4.1098 4.1099 6.6374 6.6384 7.2177 7.2186 k = 0.2439 0.4509 0.2786 ( 13092 PWs) bands (ev): -49.0351 -49.0351 -43.1558 -43.1558 -43.1408 -43.1408 -43.0914 -43.0914 -42.8730 -42.8730 -42.4004 -42.4004 -21.1362 -21.1331 -20.9703 -20.9678 -20.9368 -20.9312 -9.2241 -9.2240 -9.1672 -9.1665 0.3756 0.3758 0.5606 0.5615 0.9363 0.9377 1.1228 1.1240 1.3785 1.3806 1.8368 1.8377 3.9239 3.9243 4.0647 4.0648 6.6014 6.6024 7.1868 7.1877 k = 0.2561 0.4509 0.2786 ( 13082 PWs) bands (ev): -49.0351 -49.0351 -43.1558 -43.1558 -43.1408 -43.1408 -43.0914 -43.0914 -42.8727 -42.8727 -42.4006 -42.4006 -21.1364 -21.1333 -20.9704 -20.9678 -20.9374 -20.9318 -9.2222 -9.2221 -9.1636 -9.1629 0.4098 0.4101 0.5936 0.5945 0.9112 0.9128 1.0995 1.1010 1.3734 1.3751 1.8294 1.8302 3.8732 3.8736 4.0169 4.0172 6.5723 6.5732 7.1611 7.1620 k = 0.2683 0.4509 0.2786 ( 13094 PWs) bands (ev): -49.0351 -49.0351 -43.1558 -43.1558 -43.1408 -43.1408 -43.0914 -43.0914 -42.8724 -42.8724 -42.4009 -42.4009 -21.1365 -21.1334 -20.9704 -20.9679 -20.9379 -20.9323 -9.2203 -9.2202 -9.1600 -9.1593 0.4448 0.4451 0.6274 0.6282 0.8873 0.8891 1.0740 1.0759 1.3710 1.3724 1.8221 1.8228 3.8190 3.8196 3.9669 3.9673 6.5497 6.5507 7.1405 7.1414 k = 0.2805 0.4509 0.2786 ( 13092 PWs) bands (ev): -49.0350 -49.0350 -43.1558 -43.1558 -43.1407 -43.1407 -43.0914 -43.0914 -42.8722 -42.8722 -42.4012 -42.4012 -21.1367 -21.1336 -20.9705 -20.9679 -20.9384 -20.9328 -9.2185 -9.2184 -9.1564 -9.1557 0.4801 0.4805 0.6617 0.6625 0.8651 0.8670 1.0472 1.0492 1.3708 1.3719 1.8148 1.8154 3.7618 3.7624 3.9150 3.9155 6.5335 6.5344 7.1250 7.1259 k = 0.2927 0.4509 0.2786 ( 13100 PWs) bands (ev): -49.0350 -49.0350 -43.1558 -43.1558 -43.1407 -43.1407 -43.0914 -43.0914 -42.8719 -42.8719 -42.4014 -42.4014 -21.1368 -21.1338 -20.9705 -20.9679 -20.9389 -20.9334 -9.2167 -9.2166 -9.1528 -9.1522 0.5153 0.5158 0.6962 0.6970 0.8449 0.8470 1.0197 1.0218 1.3724 1.3733 1.8076 1.8081 3.7020 3.7026 3.8616 3.8622 6.5232 6.5242 7.1145 7.1153 k = 0.3049 0.4509 0.2786 ( 13108 PWs) bands (ev): -49.0350 -49.0350 -43.1558 -43.1558 -43.1407 -43.1407 -43.0914 -43.0914 -42.8717 -42.8717 -42.4017 -42.4017 -21.1369 -21.1340 -20.9705 -20.9680 -20.9393 -20.9339 -9.2149 -9.2148 -9.1494 -9.1487 0.5498 0.5503 0.7303 0.7309 0.8276 0.8298 0.9922 0.9944 1.3755 1.3763 1.8004 1.8009 3.6399 3.6406 3.8071 3.8077 6.5185 6.5195 7.1086 7.1094 k = 0.3171 0.4509 0.2786 ( 13110 PWs) bands (ev): -49.0349 -49.0349 -43.1558 -43.1558 -43.1406 -43.1406 -43.0914 -43.0914 -42.8714 -42.8714 -42.4019 -42.4019 -21.1371 -21.1342 -20.9706 -20.9681 -20.9397 -20.9345 -9.2132 -9.2131 -9.1460 -9.1453 0.5823 0.5830 0.7626 0.7630 0.8147 0.8174 0.9659 0.9679 1.3798 1.3806 1.7934 1.7938 3.5763 3.5769 3.7519 3.7526 6.5189 6.5198 7.1072 7.1080 k = 0.3293 0.4509 0.2786 ( 13122 PWs) bands (ev): -49.0349 -49.0349 -43.1558 -43.1558 -43.1406 -43.1406 -43.0914 -43.0914 -42.8712 -42.8712 -42.4022 -42.4022 -21.1371 -21.1344 -20.9706 -20.9682 -20.9401 -20.9350 -9.2115 -9.2114 -9.1427 -9.1420 0.6112 0.6120 0.7865 0.7886 0.8116 0.8155 0.9425 0.9443 1.3852 1.3860 1.7865 1.7870 3.5116 3.5122 3.6964 3.6971 6.5239 6.5248 7.1098 7.1106 k = 0.3415 0.4509 0.2786 ( 13118 PWs) bands (ev): -49.0349 -49.0349 -43.1558 -43.1558 -43.1406 -43.1406 -43.0914 -43.0914 -42.8709 -42.8709 -42.4024 -42.4024 -21.1372 -21.1346 -20.9706 -20.9683 -20.9404 -20.9355 -9.2099 -9.2098 -9.1395 -9.1389 0.6338 0.6347 0.7955 0.7980 0.8254 0.8291 0.9266 0.9277 1.3914 1.3922 1.7799 1.7803 3.4465 3.4471 3.6411 3.6419 6.5329 6.5338 7.1161 7.1169 k = 0.3537 0.4509 0.2786 ( 13112 PWs) bands (ev): -49.0349 -49.0349 -43.1558 -43.1558 -43.1406 -43.1406 -43.0913 -43.0913 -42.8707 -42.8707 -42.4026 -42.4026 -21.1373 -21.1348 -20.9706 -20.9684 -20.9407 -20.9361 -9.2084 -9.2083 -9.1365 -9.1359 0.6479 0.6488 0.8058 0.8077 0.8326 0.8356 0.9271 0.9274 1.3983 1.3991 1.7735 1.7740 3.3816 3.3822 3.5866 3.5873 6.5453 6.5462 7.1255 7.1263 k = 0.3659 0.4509 0.2786 ( 13114 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1406 -43.1406 -43.0913 -43.0913 -42.8705 -42.8705 -42.4028 -42.4028 -21.1374 -21.1350 -20.9706 -20.9685 -20.9409 -20.9366 -9.2070 -9.2069 -9.1336 -9.1331 0.6533 0.6544 0.8163 0.8205 0.8294 0.8320 0.9454 0.9458 1.4058 1.4066 1.7676 1.7681 3.3177 3.3182 3.5332 3.5340 6.5607 6.5615 7.1377 7.1384 k = 0.3780 0.4509 0.2786 ( 13110 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8703 -42.8703 -42.4030 -42.4030 -21.1374 -21.1352 -20.9706 -20.9687 -20.9411 -20.9371 -9.2056 -9.2056 -9.1309 -9.1304 0.6527 0.6539 0.8015 0.8053 0.8509 0.8530 0.9722 0.9730 1.4138 1.4146 1.7621 1.7626 3.2553 3.2559 3.4815 3.4823 6.5784 6.5792 7.1519 7.1526 k = 0.3902 0.4509 0.2786 ( 13128 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8701 -42.8701 -42.4032 -42.4032 -21.1374 -21.1354 -20.9706 -20.9688 -20.9413 -20.9375 -9.2044 -9.2043 -9.1284 -9.1280 0.6490 0.6504 0.7815 0.7850 0.8785 0.8802 1.0014 1.0023 1.4221 1.4229 1.7571 1.7577 3.1953 3.1958 3.4322 3.4329 6.5977 6.5984 7.1676 7.1683 k = 0.4024 0.4509 0.2786 ( 13118 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8700 -42.8700 -42.4033 -42.4033 -21.1374 -21.1356 -20.9706 -20.9689 -20.9414 -20.9380 -9.2033 -9.2032 -9.1262 -9.1258 0.6443 0.6459 0.7613 0.7645 0.9069 0.9084 1.0304 1.0313 1.4306 1.4314 1.7527 1.7534 3.1383 3.1388 3.3858 3.3865 6.6179 6.6187 7.1842 7.1849 k = 0.4146 0.4509 0.2786 ( 13132 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8698 -42.8698 -42.4035 -42.4035 -21.1374 -21.1358 -20.9705 -20.9691 -20.9415 -20.9384 -9.2023 -9.2022 -9.1241 -9.1238 0.6398 0.6415 0.7417 0.7448 0.9345 0.9357 1.0580 1.0589 1.4391 1.4399 1.7490 1.7497 3.0852 3.0857 3.3428 3.3434 6.6385 6.6391 7.2010 7.2016 k = 0.4268 0.4509 0.2786 ( 13126 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8697 -42.8697 -42.4036 -42.4036 -21.1374 -21.1360 -20.9705 -20.9692 -20.9415 -20.9388 -9.2014 -9.2013 -9.1223 -9.1220 0.6360 0.6379 0.7235 0.7264 0.9601 0.9612 1.0835 1.0843 1.4473 1.4482 1.7460 1.7466 3.0368 3.0372 3.3039 3.3045 6.6586 6.6591 7.2172 7.2178 k = 0.4390 0.4509 0.2786 ( 13132 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8696 -42.8696 -42.4037 -42.4037 -21.1374 -21.1362 -20.9704 -20.9694 -20.9414 -20.9392 -9.2006 -9.2006 -9.1208 -9.1205 0.6335 0.6354 0.7067 0.7095 0.9830 0.9839 1.1062 1.1070 1.4551 1.4559 1.7436 1.7442 2.9939 2.9942 3.2697 3.2703 6.6774 6.6779 7.2323 7.2328 k = 0.4512 0.4509 0.2786 ( 13134 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8695 -42.8695 -42.4038 -42.4038 -21.1373 -21.1363 -20.9704 -20.9695 -20.9414 -20.9396 -9.2000 -9.1999 -9.1195 -9.1193 0.6324 0.6344 0.6917 0.6943 1.0024 1.0031 1.1256 1.1263 1.4622 1.4629 1.7419 1.7425 2.9573 2.9576 3.2408 3.2413 6.6942 6.6946 7.2455 7.2459 k = 0.4634 0.4509 0.2786 ( 13134 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8694 -42.8694 -42.4039 -42.4039 -21.1372 -21.1365 -20.9703 -20.9696 -20.9413 -20.9399 -9.1995 -9.1995 -9.1185 -9.1183 0.6329 0.6349 0.6785 0.6810 1.0179 1.0185 1.1413 1.1418 1.4681 1.4687 1.7408 1.7412 2.9279 2.9281 3.2177 3.2181 6.7082 6.7086 7.2563 7.2567 k = 0.4756 0.4509 0.2786 ( 13138 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8694 -42.8694 -42.4039 -42.4039 -21.1371 -21.1366 -20.9702 -20.9698 -20.9411 -20.9402 -9.1991 -9.1991 -9.1178 -9.1177 0.6348 0.6367 0.6675 0.6698 1.0293 1.0297 1.1529 1.1532 1.4726 1.4730 1.7401 1.7404 2.9062 2.9064 3.2009 3.2011 6.7188 6.7191 7.2644 7.2646 k = 0.4878 0.4509 0.2786 ( 13140 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1368 -20.9701 -20.9699 -20.9410 -20.9405 -9.1989 -9.1989 -9.1173 -9.1173 0.6378 0.6393 0.6594 0.6611 1.0362 1.0364 1.1600 1.1602 1.4755 1.4757 1.7398 1.7399 2.8931 2.8931 3.1907 3.1908 6.7255 6.7256 7.2694 7.2695 k = 0.5000 0.4509 0.2786 ( 13140 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1988 -9.1988 -9.1171 -9.1171 0.6403 0.6403 0.6567 0.6567 1.0386 1.0386 1.1624 1.1624 1.4766 1.4766 1.7397 1.7397 2.8886 2.8886 3.1873 3.1873 6.7277 6.7277 7.2711 7.2711 k = 0.5000 0.4509 0.2786 ( 13140 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1988 -9.1988 -9.1171 -9.1171 0.6403 0.6403 0.6567 0.6567 1.0386 1.0386 1.1624 1.1624 1.4766 1.4766 1.7397 1.7397 2.8886 2.8886 3.1873 3.1873 6.7277 6.7277 7.2711 7.2711 k = 0.5000 0.4544 0.2730 ( 13144 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1988 -9.1988 -9.1171 -9.1171 0.6403 0.6403 0.6566 0.6566 1.0385 1.0385 1.1624 1.1624 1.4764 1.4764 1.7393 1.7394 2.8895 2.8896 3.1880 3.1881 6.7258 6.7259 7.2672 7.2674 k = 0.5000 0.4579 0.2674 ( 13138 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1988 -9.1988 -9.1171 -9.1171 0.6403 0.6403 0.6563 0.6563 1.0380 1.0381 1.1622 1.1624 1.4760 1.4760 1.7382 1.7383 2.8922 2.8923 3.1901 3.1903 6.7202 6.7203 7.2560 7.2563 k = 0.5000 0.4579 0.2674 ( 13138 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1988 -9.1988 -9.1171 -9.1171 0.6403 0.6403 0.6563 0.6563 1.0380 1.0381 1.1622 1.1624 1.4760 1.4760 1.7382 1.7383 2.8922 2.8923 3.1901 3.1903 6.7202 6.7203 7.2560 7.2563 k = 0.5000 0.4576 0.2553 ( 13144 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1988 -9.1988 -9.1171 -9.1171 0.6427 0.6427 0.6570 0.6571 1.0365 1.0366 1.1613 1.1615 1.4743 1.4744 1.7340 1.7341 2.8992 2.8993 3.1954 3.1957 6.6966 6.6968 7.2226 7.2232 k = 0.5000 0.4573 0.2431 ( 13138 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1988 -9.1988 -9.1171 -9.1171 0.6467 0.6467 0.6582 0.6584 1.0340 1.0342 1.1596 1.1600 1.4715 1.4716 1.7270 1.7272 2.9111 2.9112 3.2042 3.2046 6.6570 6.6573 7.1716 7.1724 k = 0.5000 0.4570 0.2310 ( 13136 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1988 -9.1988 -9.1171 -9.1171 0.6523 0.6523 0.6599 0.6602 1.0307 1.0309 1.1572 1.1577 1.4677 1.4678 1.7173 1.7176 2.9276 2.9279 3.2165 3.2171 6.6035 6.6039 7.1071 7.1081 k = 0.5000 0.4567 0.2189 ( 13130 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1987 -9.1987 -9.1172 -9.1172 0.6592 0.6592 0.6623 0.6627 1.0266 1.0269 1.1542 1.1548 1.4628 1.4629 1.7050 1.7054 2.9487 2.9490 3.2322 3.2329 6.5385 6.5389 7.0327 7.0339 k = 0.5000 0.4564 0.2068 ( 13134 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1987 -9.1987 -9.1172 -9.1172 0.6639 0.6640 0.6688 0.6691 1.0219 1.0222 1.1507 1.1514 1.4571 1.4572 1.6903 1.6907 2.9741 2.9744 3.2510 3.2518 6.4643 6.4648 6.9517 6.9530 k = 0.5000 0.4561 0.1947 ( 13136 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1986 -9.1986 -9.1172 -9.1172 0.6669 0.6671 0.6790 0.6793 1.0165 1.0169 1.1467 1.1475 1.4506 1.4507 1.6732 1.6737 3.0035 3.0039 3.2728 3.2737 6.3832 6.3837 6.8663 6.8677 k = 0.5000 0.4558 0.1826 ( 13138 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1986 -9.1986 -9.1172 -9.1172 0.6700 0.6703 0.6909 0.6911 1.0107 1.0111 1.1423 1.1433 1.4434 1.4436 1.6540 1.6546 3.0366 3.0370 3.2974 3.2983 6.2971 6.2976 6.7784 6.7798 k = 0.5000 0.4555 0.1705 ( 13132 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1985 -9.1985 -9.1173 -9.1173 0.6733 0.6736 0.7041 0.7044 1.0046 1.0050 1.1377 1.1388 1.4358 1.4360 1.6328 1.6334 3.0730 3.0735 3.3243 3.3253 6.2075 6.2081 6.6894 6.6909 k = 0.5000 0.4552 0.1583 ( 13128 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1985 -9.1985 -9.1173 -9.1173 0.6769 0.6772 0.7188 0.7190 0.9982 0.9987 1.1329 1.1341 1.4278 1.4280 1.6098 1.6105 3.1125 3.1130 3.3533 3.3544 6.1159 6.1165 6.6006 6.6021 k = 0.5000 0.4549 0.1462 ( 13138 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1984 -9.1984 -9.1173 -9.1173 0.6806 0.6809 0.7346 0.7350 0.9918 0.9923 1.1281 1.1295 1.4196 1.4198 1.5852 1.5860 3.1546 3.1551 3.3841 3.3852 6.0234 6.0240 6.5129 6.5144 k = 0.5000 0.4546 0.1341 ( 13134 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1983 -9.1983 -9.1173 -9.1173 0.6843 0.6847 0.7516 0.7520 0.9854 0.9860 1.1234 1.1249 1.4113 1.4115 1.5593 1.5602 3.1989 3.1994 3.4162 3.4173 5.9311 5.9317 6.4271 6.4286 k = 0.5000 0.4543 0.1220 ( 13132 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1983 -9.1983 -9.1174 -9.1174 0.6881 0.6885 0.7696 0.7701 0.9792 0.9797 1.1189 1.1206 1.4030 1.4032 1.5323 1.5333 3.2447 3.2453 3.4491 3.4503 5.8400 5.8406 6.3440 6.3455 k = 0.5000 0.4540 0.1099 ( 13136 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1982 -9.1982 -9.1174 -9.1174 0.6919 0.6923 0.7884 0.7890 0.9732 0.9738 1.1148 1.1166 1.3949 1.3950 1.5045 1.5056 3.2917 3.2922 3.4825 3.4836 5.7510 5.7516 6.2645 6.2659 k = 0.5000 0.4537 0.0978 ( 13148 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1982 -9.1982 -9.1174 -9.1174 0.6955 0.6959 0.8078 0.8085 0.9676 0.9682 1.1112 1.1132 1.3871 1.3872 1.4761 1.4773 3.3390 3.3395 3.5156 3.5168 5.6650 5.6655 6.1891 6.1905 k = 0.5000 0.4534 0.0857 ( 13144 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1981 -9.1981 -9.1175 -9.1175 0.6990 0.6994 0.8275 0.8282 0.9624 0.9630 1.1083 1.1104 1.3797 1.3798 1.4475 1.4488 3.3860 3.3865 3.5481 3.5491 5.5830 5.5835 6.1187 6.1200 k = 0.5000 0.4530 0.0736 ( 13132 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1980 -9.1980 -9.1175 -9.1175 0.7022 0.7026 0.8471 0.8480 0.9577 0.9583 1.1062 1.1084 1.3728 1.3729 1.4190 1.4204 3.4318 3.4323 3.5791 3.5801 5.5060 5.5065 6.0540 6.0552 k = 0.5000 0.4527 0.0614 ( 13126 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1980 -9.1980 -9.1175 -9.1175 0.7051 0.7055 0.8662 0.8671 0.9536 0.9542 1.1052 1.1075 1.3666 1.3666 1.3912 1.3926 3.4754 3.4759 3.6081 3.6090 5.4352 5.4356 5.9958 5.9969 k = 0.5000 0.4524 0.0493 ( 13126 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1980 -9.1980 -9.1175 -9.1175 0.7077 0.7080 0.8842 0.8852 0.9501 0.9506 1.1053 1.1077 1.3609 1.3610 1.3647 1.3661 3.5156 3.5160 3.6342 3.6350 5.3718 5.3722 5.9448 5.9457 k = 0.5000 0.4521 0.0372 ( 13122 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1979 -9.1979 -9.1175 -9.1175 0.7098 0.7101 0.9004 0.9014 0.9473 0.9478 1.1068 1.1092 1.3397 1.3411 1.3566 1.3566 3.5512 3.5516 3.6569 3.6576 5.3171 5.3175 5.9018 5.9026 k = 0.5000 0.4518 0.0251 ( 13130 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1979 -9.1979 -9.1176 -9.1176 0.7116 0.7118 0.9141 0.9150 0.9451 0.9455 1.1095 1.1116 1.3180 1.3192 1.3528 1.3529 3.5809 3.5811 3.6754 3.6759 5.2727 5.2730 5.8675 5.8681 k = 0.5000 0.4515 0.0130 ( 13118 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1370 -20.9700 -20.9700 -20.9408 -20.9408 -9.1979 -9.1979 -9.1176 -9.1176 0.7128 0.7130 0.9244 0.9251 0.9437 0.9440 1.1128 1.1145 1.3006 1.3016 1.3501 1.3502 3.6032 3.6034 3.6891 3.6895 5.2397 5.2399 5.8426 5.8430 k = 0.5000 0.4512 0.0009 ( 13110 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1370 -20.9700 -20.9700 -20.9408 -20.9408 -9.1979 -9.1979 -9.1176 -9.1176 0.7136 0.7137 0.9308 0.9312 0.9431 0.9433 1.1158 1.1168 1.2892 1.2897 1.3485 1.3485 3.6172 3.6173 3.6976 3.6978 5.2195 5.2196 5.8274 5.8276 k = 0.5000 0.4509-0.0112 ( 13120 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1370 -20.9700 -20.9700 -20.9408 -20.9408 -9.1979 -9.1979 -9.1176 -9.1176 0.7139 0.7139 0.9330 0.9330 0.9430 0.9430 1.1174 1.1174 1.2854 1.2854 1.3480 1.3480 3.6219 3.6219 3.7005 3.7005 5.2127 5.2127 5.8224 5.8224 k = 0.5000 0.4509-0.0112 ( 13120 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1370 -21.1370 -20.9700 -20.9700 -20.9408 -20.9408 -9.1979 -9.1979 -9.1176 -9.1176 0.7139 0.7139 0.9330 0.9330 0.9430 0.9430 1.1174 1.1174 1.2854 1.2854 1.3480 1.3480 3.6219 3.6219 3.7005 3.7005 5.2127 5.2127 5.8224 5.8224 k = 0.4878 0.4509-0.0112 ( 13114 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1371 -21.1368 -20.9702 -20.9699 -20.9410 -20.9405 -9.1981 -9.1980 -9.1176 -9.1175 0.7132 0.7138 0.9081 0.9137 0.9566 0.9627 1.1215 1.1228 1.2724 1.2727 1.3622 1.3624 3.6212 3.6213 3.7059 3.7059 5.1940 5.1945 5.8434 5.8439 k = 0.4756 0.4509-0.0112 ( 13108 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8694 -42.8694 -42.4039 -42.4039 -21.1372 -21.1367 -20.9703 -20.9698 -20.9412 -20.9403 -9.1987 -9.1986 -9.1177 -9.1176 0.7111 0.7123 0.8778 0.8831 0.9726 0.9783 1.1343 1.1364 1.2483 1.2491 1.3905 1.3910 3.6206 3.6208 3.7208 3.7208 5.1450 5.1458 5.9007 5.9016 k = 0.4634 0.4509-0.0112 ( 13118 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8694 -42.8694 -42.4039 -42.4039 -21.1373 -21.1365 -20.9703 -20.9697 -20.9413 -20.9400 -9.1996 -9.1995 -9.1179 -9.1176 0.7059 0.7079 0.8464 0.8515 0.9848 0.9898 1.1527 1.1551 1.2238 1.2250 1.4226 1.4232 3.6225 3.6228 3.7426 3.7427 5.0773 5.0784 5.9826 5.9836 k = 0.4512 0.4509-0.0112 ( 13120 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8695 -42.8695 -42.4038 -42.4038 -21.1373 -21.1364 -20.9704 -20.9695 -20.9414 -20.9396 -9.2010 -9.2008 -9.1180 -9.1177 0.6944 0.6969 0.8189 0.8239 0.9940 0.9982 1.1735 1.1758 1.2025 1.2039 1.4556 1.4564 3.6288 3.6291 3.7695 3.7695 5.0001 5.0013 6.0799 6.0811 k = 0.4390 0.4509-0.0112 ( 13108 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8696 -42.8696 -42.4037 -42.4037 -21.1374 -21.1362 -20.9705 -20.9694 -20.9415 -20.9393 -9.2026 -9.2024 -9.1182 -9.1178 0.6723 0.6748 0.8010 0.8055 1.0005 1.0041 1.1800 1.1831 1.1998 1.2019 1.4886 1.4894 3.6405 3.6409 3.8000 3.8001 4.9189 4.9202 6.1873 6.1886 k = 0.4268 0.4509-0.0112 ( 13100 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8697 -42.8697 -42.4036 -42.4036 -21.1374 -21.1360 -20.9705 -20.9693 -20.9415 -20.9389 -9.2046 -9.2044 -9.1185 -9.1180 0.6388 0.6409 0.7940 0.7977 1.0035 1.0066 1.1692 1.1728 1.2204 1.2225 1.5209 1.5218 3.6583 3.6587 3.8333 3.8334 4.8369 4.8382 6.3019 6.3032 k = 0.4146 0.4509-0.0112 ( 13098 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8698 -42.8698 -42.4035 -42.4035 -21.1375 -21.1358 -20.9706 -20.9691 -20.9415 -20.9385 -9.2070 -9.2067 -9.1188 -9.1182 0.5973 0.5989 0.7950 0.7979 1.0019 1.0047 1.1647 1.1686 1.2412 1.2430 1.5521 1.5530 3.6823 3.6828 3.8685 3.8686 4.7562 4.7575 6.4217 6.4231 k = 0.4024 0.4509-0.0112 ( 13114 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8700 -42.8700 -42.4033 -42.4033 -21.1375 -21.1356 -20.9706 -20.9690 -20.9414 -20.9380 -9.2096 -9.2093 -9.1191 -9.1185 0.5511 0.5523 0.8008 0.8031 0.9955 0.9978 1.1683 1.1721 1.2605 1.2621 1.5820 1.5830 3.7127 3.7132 3.9047 3.9049 4.6784 4.6797 6.5458 6.5473 k = 0.3902 0.4509-0.0112 ( 13128 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1405 -43.1405 -43.0913 -43.0913 -42.8701 -42.8701 -42.4032 -42.4032 -21.1375 -21.1354 -20.9706 -20.9688 -20.9413 -20.9376 -9.2124 -9.2122 -9.1196 -9.1189 0.5025 0.5035 0.8095 0.8115 0.9852 0.9869 1.1792 1.1828 1.2779 1.2793 1.6106 1.6116 3.7489 3.7495 3.9411 3.9412 4.6052 4.6064 6.6735 6.6750 k = 0.3780 0.4509-0.0112 ( 13128 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1406 -43.1406 -43.0913 -43.0913 -42.8703 -42.8703 -42.4030 -42.4030 -21.1374 -21.1352 -20.9707 -20.9687 -20.9412 -20.9371 -9.2156 -9.2153 -9.1201 -9.1194 0.4525 0.4534 0.8200 0.8221 0.9725 0.9733 1.1961 1.1993 1.2930 1.2942 1.6379 1.6388 3.7901 3.7908 3.9765 3.9767 4.5386 4.5398 6.8042 6.8056 k = 0.3659 0.4509-0.0112 ( 13128 PWs) bands (ev): -49.0348 -49.0348 -43.1558 -43.1558 -43.1406 -43.1406 -43.0913 -43.0913 -42.8705 -42.8705 -42.4028 -42.4028 -21.1374 -21.1350 -20.9707 -20.9686 -20.9410 -20.9366 -9.2189 -9.2186 -9.1206 -9.1199 0.4021 0.4029 0.8316 0.8341 0.9588 0.9591 1.2177 1.2204 1.3057 1.3067 1.6640 1.6650 3.8341 3.8349 4.0100 4.0101 4.4816 4.4828 6.9373 6.9388 k = 0.3537 0.4509-0.0112 ( 13122 PWs) bands (ev): -49.0349 -49.0349 -43.1558 -43.1558 -43.1406 -43.1406 -43.0913 -43.0913 -42.8707 -42.8707 -42.4026 -42.4026 -21.1373 -21.1348 -20.9707 -20.9684 -20.9407 -20.9361 -9.2224 -9.2221 -9.1213 -9.1205 0.3517 0.3524 0.8430 0.8466 0.9449 0.9467 1.2429 1.2452 1.3158 1.3167 1.6892 1.6902 3.8761 3.8770 4.0420 4.0421 4.4384 4.4395 7.0724 7.0739 k = 0.3415 0.4509-0.0112 ( 13120 PWs) bands (ev): -49.0349 -49.0349 -43.1558 -43.1558 -43.1406 -43.1406 -43.0914 -43.0914 -42.8709 -42.8709 -42.4024 -42.4024 -21.1373 -21.1346 -20.9707 -20.9683 -20.9405 -20.9356 -9.2261 -9.2258 -9.1220 -9.1212 0.3016 0.3022 0.8522 0.8575 0.9340 0.9376 1.2711 1.2729 1.3233 1.3241 1.7137 1.7146 3.9063 3.9072 4.0772 4.0773 4.4135 4.4144 7.2088 7.2103 k = 0.3293 0.4509-0.0112 ( 13126 PWs) bands (ev): -49.0349 -49.0349 -43.1558 -43.1558 -43.1407 -43.1407 -43.0914 -43.0914 -42.8712 -42.8712 -42.4022 -42.4022 -21.1372 -21.1344 -20.9706 -20.9682 -20.9401 -20.9350 -9.2300 -9.2297 -9.1228 -9.1220 0.2521 0.2527 0.8562 0.8629 0.9300 0.9354 1.3017 1.3029 1.3283 1.3292 1.7376 1.7385 3.9133 3.9141 4.1241 4.1242 4.4094 4.4100 7.3453 7.3468 k = 0.3171 0.4509-0.0112 ( 13134 PWs) bands (ev): -49.0349 -49.0349 -43.1558 -43.1558 -43.1407 -43.1407 -43.0914 -43.0914 -42.8714 -42.8714 -42.4019 -42.4019 -21.1371 -21.1342 -20.9706 -20.9681 -20.9398 -20.9345 -9.2339 -9.2336 -9.1236 -9.1228 0.2035 0.2041 0.8528 0.8595 0.9364 0.9421 1.3280 1.3307 1.3347 1.3385 1.7611 1.7620 3.8956 3.8963 4.1850 4.1851 4.4246 4.4250 7.4792 7.4808 k = 0.3049 0.4509-0.0112 ( 13126 PWs) bands (ev): -49.0350 -49.0350 -43.1558 -43.1558 -43.1407 -43.1407 -43.0914 -43.0914 -42.8717 -42.8717 -42.4017 -42.4017 -21.1370 -21.1340 -20.9706 -20.9681 -20.9394 -20.9340 -9.2380 -9.2377 -9.1245 -9.1237 0.1559 0.1565 0.8437 0.8496 0.9510 0.9560 1.3297 1.3308 1.3692 1.3710 1.7844 1.7852 3.8608 3.8615 4.2554 4.2556 4.4554 4.4555 7.6032 7.6048 k = 0.2927 0.4509-0.0112 ( 13114 PWs) bands (ev): -49.0350 -49.0350 -43.1557 -43.1557 -43.1407 -43.1407 -43.0914 -43.0914 -42.8719 -42.8719 -42.4014 -42.4014 -21.1369 -21.1338 -20.9706 -20.9680 -20.9389 -20.9334 -9.2421 -9.2418 -9.1255 -9.1247 0.1095 0.1101 0.8318 0.8369 0.9701 0.9744 1.3276 1.3287 1.4054 1.4068 1.8074 1.8082 3.8165 3.8172 4.3300 4.3303 4.4988 4.4990 7.6931 7.6946 k = 0.2805 0.4509-0.0112 ( 13114 PWs) bands (ev): -49.0350 -49.0350 -43.1557 -43.1557 -43.1408 -43.1408 -43.0914 -43.0914 -42.8722 -42.8722 -42.4012 -42.4012 -21.1367 -21.1336 -20.9705 -20.9679 -20.9384 -20.9329 -9.2463 -9.2460 -9.1265 -9.1257 0.0644 0.0650 0.8187 0.8231 0.9917 0.9954 1.3234 1.3245 1.4430 1.4442 1.8302 1.8311 3.7674 3.7681 4.4034 4.4039 4.5550 4.5556 7.7094 7.7104 k = 0.2683 0.4509-0.0112 ( 13114 PWs) bands (ev): -49.0351 -49.0351 -43.1557 -43.1557 -43.1408 -43.1408 -43.0914 -43.0914 -42.8724 -42.8724 -42.4009 -42.4009 -21.1366 -21.1335 -20.9705 -20.9679 -20.9379 -20.9323 -9.2505 -9.2502 -9.1276 -9.1268 0.0208 0.0213 0.8054 0.8092 1.0149 1.0182 1.3175 1.3187 1.4818 1.4828 1.8528 1.8536 3.7163 3.7171 4.4704 4.4710 4.6260 4.6267 7.6720 7.6726 k = 0.2561 0.4509-0.0112 ( 13114 PWs) bands (ev): -49.0351 -49.0351 -43.1557 -43.1557 -43.1408 -43.1408 -43.0914 -43.0914 -42.8727 -42.8727 -42.4006 -42.4006 -21.1364 -21.1333 -20.9704 -20.9679 -20.9374 -20.9318 -9.2547 -9.2545 -9.1287 -9.1279 -0.0214 -0.0209 0.7921 0.7955 1.0392 1.0423 1.3102 1.3116 1.5215 1.5224 1.8751 1.8759 3.6649 3.6657 4.5293 4.5300 4.7113 4.7122 7.6170 7.6175 k = 0.2439 0.4509-0.0112 ( 13124 PWs) bands (ev): -49.0351 -49.0351 -43.1557 -43.1557 -43.1409 -43.1409 -43.0914 -43.0914 -42.8730 -42.8730 -42.4004 -42.4004 -21.1363 -21.1332 -20.9704 -20.9679 -20.9368 -20.9313 -9.2589 -9.2586 -9.1298 -9.1291 -0.0620 -0.0614 0.7791 0.7821 1.0643 1.0672 1.3017 1.3033 1.5620 1.5629 1.8970 1.8979 3.6141 3.6149 4.5816 4.5824 4.8079 4.8088 7.5569 7.5573 k = 0.2317 0.4509-0.0112 ( 13118 PWs) bands (ev): -49.0352 -49.0352 -43.1557 -43.1557 -43.1409 -43.1409 -43.0914 -43.0914 -42.8732 -42.8732 -42.4001 -42.4001 -21.1361 -21.1330 -20.9703 -20.9679 -20.9363 -20.9307 -9.2630 -9.2628 -9.1310 -9.1302 -0.1009 -0.1004 0.7665 0.7693 1.0898 1.0927 1.2925 1.2943 1.6030 1.6039 1.9185 1.9194 3.5646 3.5653 4.6297 4.6304 4.9122 4.9131 7.4956 7.4959 k = 0.2195 0.4509-0.0112 ( 13120 PWs) bands (ev): -49.0352 -49.0352 -43.1557 -43.1557 -43.1409 -43.1409 -43.0914 -43.0914 -42.8735 -42.8735 -42.3999 -42.3999 -21.1359 -21.1329 -20.9703 -20.9679 -20.9357 -20.9302 -9.2671 -9.2669 -9.1322 -9.1314 -0.1381 -0.1376 0.7545 0.7570 1.1155 1.1185 1.2827 1.2849 1.6443 1.6452 1.9394 1.9403 3.5167 3.5174 4.6748 4.6755 5.0220 5.0229 7.4345 7.4348 k = 0.2073 0.4509-0.0112 ( 13130 PWs) bands (ev): -49.0352 -49.0352 -43.1557 -43.1557 -43.1410 -43.1410 -43.0915 -43.0915 -42.8738 -42.8738 -42.3996 -42.3996 -21.1358 -21.1328 -20.9702 -20.9679 -20.9350 -20.9298 -9.2711 -9.2709 -9.1333 -9.1326 -0.1735 -0.1730 0.7430 0.7453 1.1411 1.1443 1.2727 1.2754 1.6857 1.6867 1.9596 1.9607 3.4707 3.4714 4.7176 4.7182 5.1360 5.1368 7.3746 7.3748 k = 0.1951 0.4509-0.0112 ( 13134 PWs) bands (ev): -49.0353 -49.0353 -43.1557 -43.1557 -43.1410 -43.1410 -43.0915 -43.0915 -42.8740 -42.8740 -42.3994 -42.3994 -21.1356 -21.1327 -20.9702 -20.9679 -20.9344 -20.9293 -9.2750 -9.2748 -9.1345 -9.1338 -0.2071 -0.2067 0.7321 0.7342 1.1657 1.1697 1.2629 1.2666 1.7269 1.7280 1.9792 1.9802 3.4269 3.4275 4.7581 4.7587 5.2531 5.2539 7.3162 7.3164 k = 0.1829 0.4509-0.0112 ( 13128 PWs) bands (ev): -49.0353 -49.0353 -43.1557 -43.1557 -43.1410 -43.1410 -43.0915 -43.0915 -42.8743 -42.8743 -42.3991 -42.3991 -21.1354 -21.1326 -20.9701 -20.9680 -20.9338 -20.9289 -9.2787 -9.2785 -9.1356 -9.1350 -0.2388 -0.2384 0.7218 0.7237 1.1881 1.1934 1.2546 1.2597 1.7678 1.7689 1.9979 1.9990 3.3853 3.3859 4.7966 4.7971 5.3727 5.3735 7.2599 7.2601 k = 0.1707 0.4509-0.0112 ( 13128 PWs) bands (ev): -49.0353 -49.0353 -43.1557 -43.1557 -43.1410 -43.1410 -43.0915 -43.0915 -42.8745 -42.8745 -42.3989 -42.3989 -21.1352 -21.1325 -20.9701 -20.9680 -20.9332 -20.9284 -9.2823 -9.2821 -9.1368 -9.1362 -0.2687 -0.2683 0.7122 0.7139 1.2046 1.2116 1.2515 1.2585 1.8079 1.8092 2.0156 2.0169 3.3460 3.3466 4.8329 4.8334 5.4941 5.4948 7.2059 7.2061 k = 0.1585 0.4509-0.0112 ( 13120 PWs) bands (ev): -49.0353 -49.0353 -43.1557 -43.1557 -43.1411 -43.1411 -43.0915 -43.0915 -42.8747 -42.8747 -42.3987 -42.3987 -21.1350 -21.1324 -20.9700 -20.9681 -20.9326 -20.9281 -9.2857 -9.2856 -9.1378 -9.1373 -0.2966 -0.2962 0.7031 0.7047 1.2099 1.2159 1.2621 1.2681 1.8471 1.8485 2.0324 2.0338 3.3091 3.3097 4.8670 4.8675 5.6166 5.6173 7.1547 7.1549 k = 0.1463 0.4509-0.0112 ( 13118 PWs) bands (ev): -49.0354 -49.0354 -43.1557 -43.1557 -43.1411 -43.1411 -43.0915 -43.0915 -42.8750 -42.8750 -42.3985 -42.3985 -21.1348 -21.1324 -20.9699 -20.9681 -20.9319 -20.9277 -9.2890 -9.2888 -9.1389 -9.1384 -0.3225 -0.3221 0.6948 0.6962 1.2064 1.2102 1.2821 1.2861 1.8851 1.8866 2.0481 2.0496 3.2748 3.2753 4.8989 4.8994 5.7395 5.7402 7.1067 7.1068 k = 0.1341 0.4509-0.0112 ( 13114 PWs) bands (ev): -49.0354 -49.0354 -43.1557 -43.1557 -43.1411 -43.1411 -43.0915 -43.0915 -42.8752 -42.8752 -42.3983 -42.3983 -21.1346 -21.1323 -20.9699 -20.9682 -20.9313 -20.9274 -9.2920 -9.2919 -9.1399 -9.1394 -0.3464 -0.3461 0.6871 0.6884 1.1996 1.2022 1.3041 1.3069 1.9215 1.9232 2.0627 2.0643 3.2429 3.2434 4.9285 4.9290 5.8620 5.8627 7.0623 7.0625 k = 0.1220 0.4509-0.0112 ( 13106 PWs) bands (ev): -49.0354 -49.0354 -43.1557 -43.1557 -43.1411 -43.1411 -43.0915 -43.0915 -42.8753 -42.8753 -42.3981 -42.3981 -21.1344 -21.1323 -20.9698 -20.9682 -20.9308 -20.9271 -9.2949 -9.2947 -9.1408 -9.1404 -0.3684 -0.3681 0.6801 0.6812 1.1919 1.1938 1.3259 1.3280 1.9562 1.9580 2.0761 2.0779 3.2137 3.2142 4.9557 4.9561 5.9831 5.9838 7.0224 7.0225 k = 0.1098 0.4509-0.0112 ( 13110 PWs) bands (ev): -49.0354 -49.0354 -43.1557 -43.1557 -43.1411 -43.1411 -43.0915 -43.0915 -42.8755 -42.8755 -42.3979 -42.3979 -21.1343 -21.1323 -20.9697 -20.9683 -20.9302 -20.9269 -9.2975 -9.2974 -9.1417 -9.1413 -0.3882 -0.3880 0.6737 0.6747 1.1842 1.1856 1.3466 1.3482 1.9886 1.9907 2.0883 2.0903 3.1870 3.1875 4.9804 4.9808 6.1014 6.1020 6.9876 6.9877 k = 0.0976 0.4509-0.0112 ( 13122 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0915 -43.0915 -42.8757 -42.8757 -42.3977 -42.3977 -21.1341 -21.1323 -20.9697 -20.9684 -20.9297 -20.9267 -9.2999 -9.2998 -9.1425 -9.1421 -0.4061 -0.4059 0.6680 0.6689 1.1770 1.1781 1.3659 1.3673 2.0187 2.0210 2.0992 2.1014 3.1631 3.1635 5.0026 5.0030 6.2148 6.2154 6.9593 6.9594 k = 0.0854 0.4509-0.0112 ( 13128 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0915 -43.0915 -42.8758 -42.8758 -42.3976 -42.3976 -21.1339 -21.1324 -20.9696 -20.9685 -20.9292 -20.9265 -9.3020 -9.3019 -9.1432 -9.1429 -0.4219 -0.4217 0.6630 0.6638 1.1703 1.1712 1.3836 1.3847 2.0459 2.0486 2.1088 2.1114 3.1418 3.1421 5.0223 5.0227 6.3206 6.3212 6.9394 6.9394 k = 0.0732 0.4509-0.0112 ( 13128 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0915 -43.0915 -42.8760 -42.8760 -42.3975 -42.3975 -21.1337 -21.1324 -20.9695 -20.9686 -20.9287 -20.9264 -9.3039 -9.3038 -9.1438 -9.1435 -0.4356 -0.4354 0.6586 0.6593 1.1644 1.1650 1.3994 1.4003 2.0701 2.0733 2.1171 2.1202 3.1232 3.1235 5.0394 5.0398 6.4148 6.4153 6.9304 6.9305 k = 0.0610 0.4509-0.0112 ( 13124 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8761 -42.8761 -42.3974 -42.3974 -21.1336 -21.1324 -20.9694 -20.9686 -20.9283 -20.9263 -9.3054 -9.3054 -9.1444 -9.1441 -0.4472 -0.4470 0.6550 0.6555 1.1592 1.1598 1.4131 1.4138 2.0909 2.0947 2.1241 2.1279 3.1074 3.1077 5.0540 5.0542 6.4922 6.4926 6.9356 6.9357 k = 0.0488 0.4509-0.0112 ( 13124 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8762 -42.8762 -42.3973 -42.3973 -21.1334 -21.1325 -20.9694 -20.9687 -20.9279 -20.9263 -9.3067 -9.3067 -9.1448 -9.1446 -0.4567 -0.4566 0.6520 0.6524 1.1550 1.1554 1.4246 1.4251 2.1079 2.1126 2.1299 2.1345 3.0945 3.0947 5.0659 5.0661 6.5485 6.5489 6.9565 6.9566 k = 0.0366 0.4509-0.0112 ( 13130 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8762 -42.8762 -42.3972 -42.3972 -21.1333 -21.1326 -20.9693 -20.9688 -20.9275 -20.9264 -9.3078 -9.3077 -9.1451 -9.1450 -0.4641 -0.4640 0.6497 0.6500 1.1516 1.1519 1.4337 1.4341 2.1208 2.1265 2.1346 2.1402 3.0843 3.0845 5.0752 5.0753 6.5839 6.5842 6.9895 6.9896 k = 0.0244 0.4509-0.0112 ( 13128 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3972 -42.3972 -21.1331 -21.1327 -20.9692 -20.9689 -20.9272 -20.9264 -9.3085 -9.3085 -9.1454 -9.1453 -0.4694 -0.4693 0.6480 0.6482 1.1492 1.1494 1.4403 1.4405 2.1296 2.1347 2.1398 2.1449 3.0771 3.0772 5.0818 5.0819 6.6031 6.6033 7.0249 7.0250 k = 0.0122 0.4509-0.0112 ( 13124 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1330 -21.1328 -20.9691 -20.9690 -20.9270 -20.9266 -9.3089 -9.3089 -9.1455 -9.1455 -0.4725 -0.4725 0.6470 0.6472 1.1478 1.1479 1.4443 1.4444 2.1347 2.1371 2.1455 2.1479 3.0727 3.0728 5.0858 5.0859 6.6121 6.6122 7.0517 7.0517 k = 0.0000 0.4509-0.0112 ( 13126 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9691 -20.9691 -20.9267 -20.9267 -9.3091 -9.3091 -9.1455 -9.1455 -0.4736 -0.4736 0.6468 0.6468 1.1473 1.1473 1.4457 1.4457 2.1370 2.1370 2.1483 2.1483 3.0713 3.0713 5.0872 5.0872 6.6147 6.6147 7.0617 7.0617 k = 0.0000 0.4509-0.0112 ( 13126 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9691 -20.9691 -20.9267 -20.9267 -9.3091 -9.3091 -9.1455 -9.1455 -0.4736 -0.4736 0.6468 0.6468 1.1473 1.1473 1.4457 1.4457 2.1370 2.1370 2.1483 2.1483 3.0713 3.0713 5.0872 5.0872 6.6147 6.6147 7.0617 7.0617 k = 0.0000 0.4512 0.0009 ( 13124 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9691 -20.9691 -20.9267 -20.9267 -9.3089 -9.3089 -9.1457 -9.1457 -0.4725 -0.4725 0.6480 0.6480 1.1435 1.1435 1.4460 1.4461 2.1352 2.1352 2.1474 2.1474 3.0759 3.0759 5.0858 5.0859 6.6172 6.6172 7.0634 7.0634 k = 0.0000 0.4515 0.0130 ( 13126 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9691 -20.9690 -20.9267 -20.9267 -9.3085 -9.3084 -9.1463 -9.1462 -0.4695 -0.4694 0.6516 0.6517 1.1322 1.1322 1.4472 1.4472 2.1296 2.1296 2.1449 2.1449 3.0896 3.0897 5.0820 5.0821 6.6248 6.6249 7.0685 7.0686 k = 0.0000 0.4518 0.0251 ( 13131 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9691 -20.9690 -20.9267 -20.9267 -9.3077 -9.3076 -9.1471 -9.1471 -0.4643 -0.4642 0.6576 0.6579 1.1137 1.1137 1.4490 1.4490 2.1195 2.1195 2.1415 2.1415 3.1121 3.1122 5.0756 5.0757 6.6375 6.6375 7.0771 7.0773 k = 0.0000 0.4521 0.0372 ( 13130 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9691 -20.9690 -20.9267 -20.9267 -9.3066 -9.3065 -9.1484 -9.1483 -0.4572 -0.4570 0.6661 0.6664 1.0887 1.0887 1.4516 1.4516 2.1051 2.1051 2.1374 2.1374 3.1427 3.1428 5.0666 5.0667 6.6551 6.6552 7.0891 7.0893 k = 0.0000 0.4524 0.0493 ( 13130 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9691 -20.9690 -20.9267 -20.9267 -9.3052 -9.3051 -9.1500 -9.1499 -0.4479 -0.4478 0.6769 0.6773 1.0577 1.0578 1.4549 1.4549 2.0866 2.0866 2.1324 2.1324 3.1806 3.1808 5.0551 5.0552 6.6775 6.6776 7.1045 7.1048 k = 0.0000 0.4527 0.0614 ( 13126 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9690 -20.9690 -20.9267 -20.9267 -9.3035 -9.3034 -9.1519 -9.1518 -0.4367 -0.4365 0.6900 0.6906 1.0217 1.0219 1.4589 1.4589 2.0642 2.0643 2.1266 2.1266 3.2250 3.2252 5.0410 5.0412 6.7045 6.7047 7.1233 7.1237 k = 0.0000 0.4530 0.0736 ( 13113 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9690 -20.9690 -20.9267 -20.9267 -9.3015 -9.3014 -9.1541 -9.1540 -0.4234 -0.4232 0.7053 0.7061 0.9814 0.9817 1.4634 1.4634 2.0384 2.0384 2.1200 2.1200 3.2750 3.2752 5.0245 5.0247 6.7361 6.7363 7.1455 7.1458 k = 0.0000 0.4534 0.0857 ( 13122 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9690 -20.9690 -20.9267 -20.9267 -9.2992 -9.2991 -9.1566 -9.1565 -0.4081 -0.4079 0.7227 0.7238 0.9376 0.9381 1.4686 1.4686 2.0092 2.0093 2.1127 2.1127 3.3297 3.3299 5.0054 5.0057 6.7720 6.7721 7.1709 7.1713 k = 0.0000 0.4537 0.0978 ( 13118 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9690 -20.9690 -20.9267 -20.9267 -9.2967 -9.2966 -9.1594 -9.1593 -0.3909 -0.3906 0.7417 0.7432 0.8914 0.8924 1.4743 1.4743 1.9771 1.9771 2.1047 2.1047 3.3884 3.3886 4.9839 4.9842 6.8119 6.8121 7.1995 7.2000 k = 0.0000 0.4540 0.1099 ( 13109 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9690 -20.9690 -20.9267 -20.9267 -9.2939 -9.2938 -9.1625 -9.1624 -0.3717 -0.3713 0.7604 0.7633 0.8444 0.8467 1.4805 1.4805 1.9423 1.9423 2.0961 2.0961 3.4502 3.4504 4.9599 4.9602 6.8556 6.8558 7.2314 7.2319 k = 0.0000 0.4543 0.1220 ( 13108 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9690 -20.9690 -20.9267 -20.9267 -9.2909 -9.2907 -9.1659 -9.1657 -0.3505 -0.3502 0.7653 0.7708 0.8105 0.8154 1.4871 1.4871 1.9051 1.9051 2.0870 2.0870 3.5145 3.5147 4.9335 4.9338 6.9027 6.9029 7.2664 7.2670 k = 0.0000 0.4546 0.1341 ( 13108 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1329 -20.9690 -20.9690 -20.9267 -20.9267 -9.2876 -9.2874 -9.1694 -9.1693 -0.3275 -0.3271 0.7287 0.7317 0.8240 0.8264 1.4939 1.4939 1.8659 1.8659 2.0776 2.0777 3.5806 3.5808 4.9047 4.9050 6.9529 6.9531 7.3044 7.3051 k = 0.0000 0.4549 0.1462 ( 13107 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2841 -9.2840 -9.1732 -9.1730 -0.3026 -0.3022 0.6789 0.6809 0.8505 0.8517 1.5010 1.5010 1.8248 1.8249 2.0681 2.0681 3.6480 3.6482 4.8735 4.8738 7.0058 7.0060 7.3455 7.3463 k = 0.0000 0.4552 0.1583 ( 13113 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2805 -9.2803 -9.1772 -9.1770 -0.2759 -0.2755 0.6269 0.6284 0.8801 0.8809 1.5082 1.5082 1.7824 1.7824 2.0584 2.0584 3.7161 3.7163 4.8399 4.8402 7.0607 7.0610 7.3895 7.3904 k = 0.0000 0.4555 0.1705 ( 13100 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2766 -9.2765 -9.1813 -9.1811 -0.2475 -0.2471 0.5744 0.5757 0.9117 0.9122 1.5154 1.5154 1.7388 1.7389 2.0489 2.0489 3.7845 3.7846 4.8041 4.8044 7.1171 7.1174 7.4363 7.4373 k = 0.0000 0.4558 0.1826 ( 13096 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1329 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2727 -9.2725 -9.1855 -9.1853 -0.2175 -0.2170 0.5221 0.5232 0.9449 0.9453 1.5224 1.5224 1.6946 1.6946 2.0396 2.0396 3.8527 3.8528 4.7660 4.7663 7.1741 7.1744 7.4858 7.4868 k = 0.0000 0.4561 0.1947 ( 13089 PWs) bands (ev): -49.0355 -49.0355 -43.1557 -43.1557 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2687 -9.2685 -9.1897 -9.1895 -0.1860 -0.1855 0.4704 0.4715 0.9795 0.9798 1.5291 1.5291 1.6500 1.6500 2.0309 2.0309 3.9203 3.9203 4.7257 4.7260 7.2308 7.2311 7.5374 7.5385 k = 0.0000 0.4564 0.2068 ( 13083 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2647 -9.2645 -9.1940 -9.1938 -0.1533 -0.1527 0.4198 0.4208 1.0150 1.0152 1.5353 1.5353 1.6055 1.6056 2.0228 2.0228 3.9868 3.9869 4.6833 4.6836 7.2859 7.2862 7.5905 7.5916 k = 0.0000 0.4567 0.2189 ( 13092 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2607 -9.2605 -9.1981 -9.1979 -0.1196 -0.1190 0.3709 0.3718 1.0509 1.0510 1.5406 1.5407 1.5621 1.5622 2.0155 2.0155 4.0519 4.0519 4.6391 4.6393 7.3382 7.3385 7.6437 7.6448 k = 0.0000 0.4570 0.2310 ( 13098 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2569 -9.2567 -9.2021 -9.2019 -0.0855 -0.0850 0.3242 0.3250 1.0863 1.0865 1.5196 1.5196 1.5461 1.5462 2.0093 2.0093 4.1150 4.1150 4.5933 4.5935 7.3859 7.3861 7.6947 7.6958 k = 0.0000 0.4573 0.2431 ( 13097 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2534 -9.2533 -9.2056 -9.2055 -0.0522 -0.0517 0.2811 0.2818 1.1200 1.1201 1.4809 1.4810 1.5499 1.5499 2.0043 2.0043 4.1752 4.1752 4.5466 4.5468 7.4268 7.4271 7.7405 7.7415 k = 0.0000 0.4576 0.2553 ( 13100 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2506 -9.2505 -9.2085 -9.2084 -0.0218 -0.0213 0.2438 0.2444 1.1495 1.1495 1.4479 1.4479 1.5527 1.5528 2.0006 2.0006 4.2306 4.2307 4.5008 4.5010 7.4585 7.4586 7.7784 7.7791 k = 0.0000 0.4579 0.2674 ( 13099 PWs) bands (ev): -49.0355 -49.0355 -43.1558 -43.1558 -43.1412 -43.1412 -43.0916 -43.0916 -42.8763 -42.8763 -42.3971 -42.3971 -21.1328 -21.1328 -20.9690 -20.9690 -20.9267 -20.9267 -9.2487 -9.2486 -9.2104 -9.2104 0.0012 0.0015 0.2168 0.2172 1.1703 1.1703 1.4249 1.4249 1.5544 1.5545 1.9984 1.9984 4.2759 4.2759 4.4612 4.4614 7.4778 7.4779 7.8078 7.8083 k = 0.5000 0.4440 0.2899 ( 13138 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1988 -9.1988 -9.1171 -9.1171 0.6403 0.6403 0.6563 0.6563 1.0380 1.0381 1.1622 1.1624 1.4760 1.4760 1.7382 1.7383 2.8922 2.8923 3.1901 3.1903 6.7202 6.7203 7.2560 7.2563 k = 0.5000 0.4320 0.2899 ( 13136 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1987 -9.1987 -9.1170 -9.1170 0.6363 0.6363 0.6521 0.6522 1.0381 1.0383 1.1628 1.1630 1.4753 1.4754 1.7371 1.7372 2.9010 2.9011 3.1980 3.1982 6.7147 6.7148 7.2357 7.2358 k = 0.5000 0.4200 0.2899 ( 13136 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1984 -9.1984 -9.1167 -9.1167 0.6287 0.6288 0.6442 0.6443 1.0385 1.0388 1.1637 1.1640 1.4739 1.4741 1.7352 1.7353 2.9176 2.9177 3.2127 3.2131 6.7022 6.7022 7.2022 7.2022 k = 0.5000 0.4080 0.2899 ( 13142 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1369 -20.9700 -20.9700 -20.9408 -20.9408 -9.1979 -9.1979 -9.1162 -9.1162 0.6177 0.6178 0.6326 0.6327 1.0393 1.0396 1.1650 1.1653 1.4719 1.4722 1.7326 1.7328 2.9420 2.9420 3.2343 3.2347 6.6828 6.6829 7.1575 7.1577 k = 0.5000 0.3960 0.2899 ( 13132 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1369 -21.1368 -20.9699 -20.9699 -20.9408 -20.9408 -9.1974 -9.1974 -9.1156 -9.1156 0.6036 0.6037 0.6177 0.6177 1.0404 1.0408 1.1665 1.1669 1.4694 1.4697 1.7293 1.7295 2.9736 2.9737 3.2624 3.2628 6.6571 6.6572 7.1041 7.1043 k = 0.5000 0.3840 0.2899 ( 13128 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1368 -21.1368 -20.9699 -20.9699 -20.9408 -20.9408 -9.1967 -9.1967 -9.1149 -9.1149 0.5864 0.5866 0.5996 0.5997 1.0418 1.0423 1.1683 1.1687 1.4663 1.4667 1.7253 1.7256 3.0123 3.0124 3.2967 3.2972 6.6256 6.6257 7.0438 7.0441 k = 0.5000 0.3720 0.2899 ( 13122 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1368 -21.1368 -20.9699 -20.9698 -20.9408 -20.9408 -9.1959 -9.1959 -9.1141 -9.1141 0.5667 0.5668 0.5789 0.5790 1.0435 1.0441 1.1704 1.1709 1.4627 1.4633 1.7207 1.7210 3.0576 3.0577 3.3370 3.3375 6.5890 6.5892 6.9785 6.9789 k = 0.5000 0.3600 0.2899 ( 13130 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1367 -21.1367 -20.9698 -20.9698 -20.9408 -20.9408 -9.1949 -9.1949 -9.1131 -9.1131 0.5446 0.5448 0.5558 0.5559 1.0455 1.0461 1.1728 1.1733 1.4588 1.4594 1.7156 1.7159 3.1092 3.1092 3.3827 3.3833 6.5479 6.5481 6.9096 6.9100 k = 0.5000 0.3480 0.2899 ( 13134 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1367 -21.1367 -20.9697 -20.9697 -20.9408 -20.9408 -9.1939 -9.1939 -9.1121 -9.1121 0.5205 0.5207 0.5308 0.5309 1.0477 1.0484 1.1754 1.1760 1.4545 1.4552 1.7099 1.7103 3.1665 3.1666 3.4336 3.4343 6.5031 6.5033 6.8382 6.8387 k = 0.5000 0.3360 0.2899 ( 13136 PWs) bands (ev): -49.0347 -49.0347 -43.1558 -43.1558 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1366 -21.1366 -20.9697 -20.9697 -20.9408 -20.9408 -9.1927 -9.1927 -9.1109 -9.1109 0.4948 0.4950 0.5042 0.5043 1.0501 1.0510 1.1783 1.1789 1.4499 1.4507 1.7038 1.7042 3.2292 3.2292 3.4892 3.4899 6.4552 6.4554 6.7653 6.7657 k = 0.5000 0.3240 0.2899 ( 13144 PWs) bands (ev): -49.0347 -49.0347 -43.1559 -43.1559 -43.1404 -43.1404 -43.0913 -43.0913 -42.8693 -42.8693 -42.4040 -42.4040 -21.1366 -21.1366 -20.9696 -20.9696 -20.9408 -20.9408 -9.1914 -9.1914 -9.1096 -9.1096 0.4677 0.4679 0.4763 0.4764 1.0527 1.0536 1.1814 1.1820 1.4452 1.4460 1.6973 1.6977 3.2968 3.2969 3.5492 3.5499 6.4048 6.4050 6.6915 6.6919 k = 0.5000 0.3120 0.2899 ( 13138 PWs) bands (ev): -49.0347 -49.0347 -43.1559 -43.1559 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1365 -21.1365 -20.9695 -20.9695 -20.9408 -20.9408 -9.1901 -9.1901 -9.1082 -9.1082 0.4395 0.4398 0.4475 0.4476 1.0555 1.0564 1.1847 1.1854 1.4403 1.4412 1.6904 1.6909 3.3691 3.3692 3.6130 3.6138 6.3524 6.3527 6.6174 6.6179 k = 0.5000 0.3000 0.2899 ( 13144 PWs) bands (ev): -49.0347 -49.0347 -43.1559 -43.1559 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1365 -21.1364 -20.9695 -20.9694 -20.9408 -20.9408 -9.1886 -9.1886 -9.1067 -9.1067 0.4107 0.4109 0.4181 0.4182 1.0583 1.0593 1.1882 1.1889 1.4353 1.4363 1.6832 1.6838 3.4455 3.4456 3.6805 3.6812 6.2987 6.2989 6.5435 6.5440 k = 0.5000 0.2880 0.2899 ( 13152 PWs) bands (ev): -49.0347 -49.0347 -43.1559 -43.1559 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1364 -21.1364 -20.9694 -20.9693 -20.9408 -20.9408 -9.1871 -9.1871 -9.1052 -9.1052 0.3813 0.3816 0.3884 0.3885 1.0612 1.0623 1.1919 1.1926 1.4303 1.4314 1.6758 1.6764 3.5259 3.5260 3.7510 3.7518 6.2440 6.2442 6.4703 6.4708 k = 0.5000 0.2760 0.2899 ( 13148 PWs) bands (ev): -49.0347 -49.0347 -43.1559 -43.1559 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1363 -21.1363 -20.9693 -20.9693 -20.9408 -20.9408 -9.1856 -9.1856 -9.1036 -9.1036 0.3517 0.3520 0.3587 0.3588 1.0641 1.0653 1.1957 1.1965 1.4253 1.4265 1.6682 1.6688 3.6098 3.6099 3.8243 3.8251 6.1888 6.1890 6.3980 6.3985 k = 0.5000 0.2640 0.2899 ( 13134 PWs) bands (ev): -49.0347 -49.0347 -43.1559 -43.1559 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1362 -21.1362 -20.9692 -20.9692 -20.9408 -20.9408 -9.1840 -9.1839 -9.1020 -9.1020 0.3222 0.3225 0.3290 0.3291 1.0670 1.0682 1.1997 1.2005 1.4205 1.4217 1.6605 1.6611 3.6970 3.6970 3.9000 3.9008 6.1334 6.1337 6.3270 6.3275 k = 0.5000 0.2520 0.2899 ( 13124 PWs) bands (ev): -49.0347 -49.0347 -43.1559 -43.1559 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1362 -21.1361 -20.9691 -20.9691 -20.9408 -20.9408 -9.1823 -9.1823 -9.1003 -9.1003 0.2929 0.2932 0.2998 0.2999 1.0698 1.0710 1.2038 1.2046 1.4159 1.4172 1.6527 1.6534 3.7870 3.7871 3.9776 3.9784 6.0784 6.0786 6.2576 6.2580 k = 0.5000 0.2400 0.2899 ( 13120 PWs) bands (ev): -49.0347 -49.0347 -43.1559 -43.1559 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1361 -21.1361 -20.9690 -20.9690 -20.9408 -20.9408 -9.1806 -9.1806 -9.0986 -9.0986 0.2639 0.2642 0.2710 0.2711 1.0725 1.0738 1.2079 1.2087 1.4116 1.4129 1.6450 1.6457 3.8798 3.8799 4.0569 4.0577 6.0239 6.0241 6.1899 6.1904 k = 0.5000 0.2280 0.2899 ( 13116 PWs) bands (ev): -49.0347 -49.0347 -43.1559 -43.1559 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1360 -21.1360 -20.9689 -20.9689 -20.9408 -20.9408 -9.1789 -9.1789 -9.0968 -9.0968 0.2356 0.2359 0.2430 0.2431 1.0750 1.0763 1.2121 1.2129 1.4075 1.4088 1.6372 1.6380 3.9748 3.9749 4.1375 4.1383 5.9702 5.9705 6.1243 6.1247 k = 0.5000 0.2160 0.2899 ( 13118 PWs) bands (ev): -49.0347 -49.0347 -43.1560 -43.1560 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1359 -21.1359 -20.9688 -20.9688 -20.9408 -20.9408 -9.1772 -9.1772 -9.0951 -9.0951 0.2080 0.2083 0.2158 0.2159 1.0773 1.0786 1.2163 1.2172 1.4038 1.4052 1.6296 1.6304 4.0720 4.0720 4.2188 4.2196 5.9178 5.9180 6.0609 6.0612 k = 0.5000 0.2040 0.2899 ( 13118 PWs) bands (ev): -49.0347 -49.0347 -43.1560 -43.1560 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1359 -21.1358 -20.9687 -20.9687 -20.9408 -20.9408 -9.1755 -9.1755 -9.0934 -9.0934 0.1812 0.1815 0.1895 0.1896 1.0794 1.0807 1.2205 1.2214 1.4005 1.4019 1.6222 1.6230 4.1708 4.1709 4.3006 4.3014 5.8667 5.8670 5.9998 6.0002 k = 0.5000 0.1920 0.2899 ( 13118 PWs) bands (ev): -49.0347 -49.0347 -43.1560 -43.1560 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1358 -21.1358 -20.9686 -20.9686 -20.9408 -20.9408 -9.1739 -9.1739 -9.0917 -9.0917 0.1555 0.1557 0.1643 0.1644 1.0812 1.0826 1.2247 1.2255 1.3976 1.3990 1.6150 1.6158 4.2710 4.2711 4.3823 4.3831 5.8174 5.8176 5.9414 5.9417 k = 0.5000 0.1800 0.2899 ( 13114 PWs) bands (ev): -49.0348 -49.0348 -43.1560 -43.1560 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1357 -21.1357 -20.9685 -20.9685 -20.9409 -20.9409 -9.1722 -9.1722 -9.0900 -9.0900 0.1308 0.1311 0.1403 0.1403 1.0828 1.0841 1.2288 1.2296 1.3951 1.3965 1.6080 1.6088 4.3723 4.3723 4.4636 4.4644 5.7699 5.7701 5.8857 5.8860 k = 0.5000 0.1680 0.2899 ( 13110 PWs) bands (ev): -49.0348 -49.0348 -43.1560 -43.1560 -43.1404 -43.1404 -43.0914 -43.0914 -42.8693 -42.8693 -42.4040 -42.4040 -21.1356 -21.1356 -20.9684 -20.9684 -20.9409 -20.9409 -9.1706 -9.1706 -9.0884 -9.0884 0.1074 0.1076 0.1175 0.1175 1.0841 1.0854 1.2327 1.2336 1.3931 1.3945 1.6014 1.6022 4.4741 4.4742 4.5440 4.5447 5.7246 5.7248 5.8329 5.8332 k = 0.5000 0.1560 0.2899 ( 13112 PWs) bands (ev): -49.0348 -49.0348 -43.1560 -43.1560 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1356 -21.1355 -20.9684 -20.9683 -20.9409 -20.9409 -9.1691 -9.1691 -9.0868 -9.0868 0.0852 0.0855 0.0960 0.0960 1.0851 1.0863 1.2366 1.2374 1.3916 1.3929 1.5951 1.5959 4.5761 4.5761 4.6228 4.6236 5.6816 5.6818 5.7832 5.7834 k = 0.5000 0.1440 0.2899 ( 13116 PWs) bands (ev): -49.0348 -49.0348 -43.1560 -43.1560 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1355 -21.1355 -20.9683 -20.9682 -20.9409 -20.9409 -9.1676 -9.1676 -9.0853 -9.0853 0.0644 0.0647 0.0759 0.0759 1.0858 1.0870 1.2402 1.2410 1.3904 1.3917 1.5891 1.5899 4.6777 4.6777 4.6997 4.7004 5.6413 5.6415 5.7367 5.7369 k = 0.5000 0.1320 0.2899 ( 13110 PWs) bands (ev): -49.0348 -49.0348 -43.1560 -43.1560 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1354 -21.1354 -20.9682 -20.9682 -20.9409 -20.9409 -9.1662 -9.1662 -9.0839 -9.0839 0.0451 0.0453 0.0572 0.0572 1.0863 1.0875 1.2437 1.2445 1.3896 1.3908 1.5836 1.5844 4.7738 4.7745 4.7782 4.7782 5.6037 5.6039 5.6936 5.6938 k = 0.5000 0.1200 0.2899 ( 13102 PWs) bands (ev): -49.0348 -49.0348 -43.1560 -43.1560 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1354 -21.1353 -20.9681 -20.9681 -20.9409 -20.9409 -9.1649 -9.1649 -9.0825 -9.0825 0.0272 0.0274 0.0400 0.0400 1.0866 1.0877 1.2469 1.2477 1.3892 1.3903 1.5786 1.5793 4.8448 4.8454 4.8768 4.8768 5.5692 5.5694 5.6540 5.6541 k = 0.5000 0.1080 0.2899 ( 13090 PWs) bands (ev): -49.0348 -49.0348 -43.1560 -43.1560 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1353 -21.1353 -20.9681 -20.9680 -20.9409 -20.9409 -9.1637 -9.1637 -9.0813 -9.0813 0.0109 0.0111 0.0243 0.0244 1.0867 1.0877 1.2499 1.2506 1.3890 1.3901 1.5740 1.5747 4.9117 4.9124 4.9725 4.9725 5.5381 5.5383 5.6181 5.6182 k = 0.5000 0.0960 0.2899 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1560 -43.1560 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1353 -21.1352 -20.9680 -20.9680 -20.9409 -20.9409 -9.1626 -9.1626 -9.0801 -9.0801 -0.0038 -0.0036 0.0102 0.0102 1.0867 1.0876 1.2527 1.2533 1.3891 1.3900 1.5698 1.5705 4.9740 4.9746 5.0639 5.0640 5.5108 5.5110 5.5860 5.5861 k = 0.5000 0.0840 0.2899 ( 13078 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1352 -21.1352 -20.9679 -20.9679 -20.9409 -20.9409 -9.1616 -9.1616 -9.0791 -9.0791 -0.0168 -0.0167 -0.0023 -0.0023 1.0865 1.0873 1.2551 1.2557 1.3894 1.3902 1.5662 1.5668 5.0309 5.0314 5.1494 5.1494 5.4881 5.4884 5.5579 5.5579 k = 0.5000 0.0720 0.2899 ( 13068 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1352 -21.1352 -20.9679 -20.9679 -20.9409 -20.9409 -9.1607 -9.1607 -9.0782 -9.0782 -0.0282 -0.0281 -0.0132 -0.0132 1.0863 1.0870 1.2572 1.2578 1.3897 1.3905 1.5631 1.5636 5.0815 5.0820 5.2259 5.2260 5.4714 5.4717 5.5338 5.5338 k = 0.5000 0.0600 0.2899 ( 13076 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1599 -9.1599 -9.0774 -9.0774 -0.0379 -0.0378 -0.0225 -0.0225 1.0861 1.0867 1.2591 1.2595 1.3902 1.3908 1.5604 1.5608 5.1252 5.1257 5.2889 5.2891 5.4640 5.4643 5.5139 5.5140 k = 0.5000 0.0480 0.2899 ( 13080 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1593 -9.1593 -9.0768 -9.0768 -0.0458 -0.0458 -0.0301 -0.0301 1.0858 1.0863 1.2606 1.2610 1.3906 1.3911 1.5582 1.5586 5.1614 5.1618 5.3311 5.3313 5.4712 5.4715 5.4983 5.4983 k = 0.5000 0.0360 0.2899 ( 13074 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1588 -9.1588 -9.0763 -9.0763 -0.0520 -0.0520 -0.0360 -0.0360 1.0856 1.0860 1.2618 1.2621 1.3910 1.3914 1.5566 1.5569 5.1896 5.1899 5.3501 5.3502 5.4866 5.4867 5.4936 5.4939 k = 0.5000 0.0240 0.2899 ( 13080 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9677 -20.9409 -20.9409 -9.1584 -9.1584 -9.0759 -9.0759 -0.0565 -0.0564 -0.0403 -0.0402 1.0855 1.0857 1.2627 1.2629 1.3913 1.3916 1.5554 1.5556 5.2097 5.2099 5.3552 5.3553 5.4789 5.4789 5.5198 5.5200 k = 0.5000 0.0120 0.2899 ( 13078 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1582 -9.1582 -9.0757 -9.0757 -0.0591 -0.0591 -0.0428 -0.0428 1.0854 1.0855 1.2632 1.2633 1.3916 1.3917 1.5547 1.5548 5.2216 5.2217 5.3557 5.3558 5.4745 5.4745 5.5389 5.5390 k = 0.5000-0.0000 0.2899 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1582 -9.1582 -9.0756 -9.0756 -0.0600 -0.0600 -0.0437 -0.0437 1.0854 1.0854 1.2634 1.2634 1.3917 1.3917 1.5545 1.5545 5.2256 5.2256 5.3556 5.3556 5.4731 5.4731 5.5457 5.5457 k = 0.5000-0.0000 0.2899 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1582 -9.1582 -9.0756 -9.0756 -0.0600 -0.0600 -0.0437 -0.0437 1.0854 1.0854 1.2634 1.2634 1.3917 1.3917 1.5545 1.5545 5.2256 5.2256 5.3556 5.3556 5.4731 5.4731 5.5457 5.5457 k = 0.5000-0.0000 0.2778 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1581 -9.1581 -9.0756 -9.0756 -0.0590 -0.0590 -0.0431 -0.0431 1.0848 1.0849 1.2630 1.2631 1.3912 1.3913 1.5528 1.5529 5.2188 5.2191 5.3464 5.3466 5.4827 5.4830 5.5572 5.5574 k = 0.5000-0.0000 0.2657 ( 13074 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1581 -9.1581 -9.0756 -9.0756 -0.0559 -0.0559 -0.0416 -0.0416 1.0831 1.0832 1.2617 1.2619 1.3899 1.3901 1.5476 1.5479 5.2014 5.2019 5.3238 5.3240 5.5093 5.5099 5.5870 5.5872 k = 0.5000-0.0000 0.2536 ( 13076 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1581 -9.1581 -9.0757 -9.0757 -0.0507 -0.0507 -0.0390 -0.0390 1.0802 1.0804 1.2595 1.2597 1.3879 1.3881 1.5393 1.5397 5.1781 5.1787 5.2952 5.2954 5.5481 5.5488 5.6276 5.6280 k = 0.5000-0.0000 0.2415 ( 13072 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1581 -9.1581 -9.0757 -9.0757 -0.0435 -0.0435 -0.0355 -0.0354 1.0761 1.0764 1.2562 1.2566 1.3851 1.3854 1.5281 1.5285 5.1526 5.1533 5.2647 5.2649 5.5951 5.5959 5.6748 5.6752 k = 0.5000-0.0000 0.2295 ( 13074 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1581 -9.1581 -9.0757 -9.0757 -0.0344 -0.0343 -0.0309 -0.0308 1.0709 1.0713 1.2518 1.2522 1.3817 1.3821 1.5143 1.5148 5.1270 5.1276 5.2343 5.2345 5.6482 5.6490 5.7265 5.7269 k = 0.5000-0.0000 0.2174 ( 13078 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1581 -9.1581 -9.0757 -9.0757 -0.0258 -0.0258 -0.0228 -0.0228 1.0646 1.0651 1.2457 1.2463 1.3779 1.3783 1.4984 1.4991 5.1022 5.1028 5.2049 5.2052 5.7059 5.7067 5.7815 5.7819 k = 0.5000-0.0000 0.2053 ( 13082 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1581 -9.1581 -9.0757 -9.0757 -0.0194 -0.0194 -0.0098 -0.0098 1.0572 1.0577 1.2379 1.2385 1.3736 1.3740 1.4811 1.4819 5.0788 5.0794 5.1771 5.1773 5.7675 5.7683 5.8392 5.8396 k = 0.5000-0.0000 0.1932 ( 13078 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1580 -9.1580 -9.0758 -9.0758 -0.0123 -0.0123 0.0052 0.0052 1.0488 1.0493 1.2277 1.2283 1.3690 1.3695 1.4632 1.4641 5.0570 5.0577 5.1509 5.1511 5.8322 5.8330 5.8991 5.8995 k = 0.5000-0.0000 0.1812 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9677 -20.9409 -20.9409 -9.1580 -9.1580 -9.0758 -9.0758 -0.0045 -0.0045 0.0219 0.0220 1.0394 1.0399 1.2147 1.2154 1.3643 1.3648 1.4454 1.4464 5.0370 5.0376 5.1266 5.1267 5.8996 5.9005 5.9609 5.9613 k = 0.5000-0.0000 0.1691 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9677 -20.9409 -20.9409 -9.1580 -9.1580 -9.0758 -9.0758 0.0039 0.0039 0.0404 0.0405 1.0290 1.0296 1.1985 1.1992 1.3596 1.3601 1.4286 1.4296 5.0188 5.0193 5.1040 5.1042 5.9692 5.9701 6.0242 6.0246 k = 0.5000-0.0000 0.1570 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9677 -20.9409 -20.9409 -9.1579 -9.1579 -9.0759 -9.0759 0.0127 0.0128 0.0605 0.0605 1.0179 1.0185 1.1787 1.1795 1.3549 1.3554 1.4134 1.4144 5.0022 5.0028 5.0833 5.0834 6.0406 6.0414 6.0886 6.0890 k = 0.5000-0.0000 0.1449 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9677 -20.9409 -20.9409 -9.1579 -9.1579 -9.0759 -9.0759 0.0220 0.0221 0.0820 0.0820 1.0062 1.0068 1.1555 1.1562 1.3504 1.3509 1.4003 1.4012 4.9873 4.9878 5.0643 5.0645 6.1131 6.1140 6.1536 6.1541 k = 0.5000-0.0000 0.1328 ( 13080 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1579 -9.1579 -9.0760 -9.0760 0.0315 0.0316 0.1047 0.1048 0.9941 0.9947 1.1290 1.1297 1.3462 1.3467 1.3893 1.3902 4.9740 4.9744 5.0471 5.0472 6.1864 6.1872 6.2189 6.2194 k = 0.5000-0.0000 0.1208 ( 13078 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1579 -9.1579 -9.0760 -9.0760 0.0412 0.0413 0.1286 0.1286 0.9817 0.9823 1.0999 1.1005 1.3422 1.3427 1.3803 1.3811 4.9621 4.9626 5.0316 5.0317 6.2596 6.2605 6.2839 6.2843 k = 0.5000-0.0000 0.1087 ( 13080 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1578 -9.1578 -9.0760 -9.0760 0.0507 0.0508 0.1532 0.1533 0.9694 0.9699 1.0689 1.0694 1.3385 1.3390 1.3731 1.3738 4.9517 4.9521 5.0178 5.0179 6.3323 6.3331 6.3478 6.3483 k = 0.5000-0.0000 0.0966 ( 13090 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1578 -9.1578 -9.0761 -9.0761 0.0601 0.0601 0.1783 0.1784 0.9573 0.9578 1.0368 1.0372 1.3352 1.3356 1.3674 1.3680 4.9426 4.9429 5.0056 5.0056 6.4033 6.4041 6.4100 6.4105 k = 0.5000-0.0000 0.0845 ( 13080 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1578 -9.1578 -9.0761 -9.0761 0.0689 0.0690 0.2035 0.2036 0.9458 0.9462 1.0044 1.0048 1.3323 1.3327 1.3629 1.3634 4.9347 4.9350 4.9949 4.9950 6.4694 6.4697 6.4721 6.4727 k = 0.5000-0.0000 0.0725 ( 13086 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1578 -9.1578 -9.0761 -9.0761 0.0772 0.0772 0.2282 0.2282 0.9350 0.9354 0.9728 0.9731 1.3298 1.3301 1.3594 1.3598 4.9280 4.9282 4.9857 4.9858 6.5252 6.5256 6.5367 6.5374 k = 0.5000-0.0000 0.0604 ( 13078 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1577 -9.1577 -9.0761 -9.0761 0.0846 0.0847 0.2517 0.2518 0.9253 0.9257 0.9430 0.9432 1.3276 1.3279 1.3566 1.3570 4.9224 4.9226 4.9780 4.9781 6.5760 6.5763 6.5963 6.5969 k = 0.5000-0.0000 0.0483 ( 13078 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1577 -9.1577 -9.0762 -9.0762 0.0910 0.0910 0.2732 0.2733 0.9154 0.9160 0.9174 0.9176 1.3259 1.3261 1.3546 1.3548 4.9179 4.9181 4.9718 4.9719 6.6205 6.6208 6.6490 6.6495 k = 0.5000-0.0000 0.0362 ( 13090 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1403 -43.1403 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1577 -9.1577 -9.0762 -9.0762 0.0962 0.0962 0.2918 0.2918 0.8928 0.8930 0.9104 0.9106 1.3246 1.3247 1.3530 1.3532 4.9145 4.9146 4.9670 4.9670 6.6572 6.6574 6.6929 6.6933 k = 0.5000-0.0000 0.0242 ( 13086 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1402 -43.1402 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1577 -9.1577 -9.0762 -9.0762 0.1000 0.1000 0.3062 0.3062 0.8751 0.8752 0.9054 0.9056 1.3236 1.3237 1.3520 1.3521 4.9120 4.9121 4.9636 4.9636 6.6847 6.6848 6.7262 6.7265 k = 0.5000-0.0000 0.0121 ( 13080 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1402 -43.1402 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1577 -9.1577 -9.0762 -9.0762 0.1023 0.1023 0.3154 0.3154 0.8639 0.8640 0.9024 0.9025 1.3231 1.3231 1.3514 1.3515 4.9106 4.9106 4.9615 4.9615 6.7017 6.7018 6.7470 6.7472 k = 0.5000-0.0000-0.0000 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1562 -43.1562 -43.1402 -43.1402 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9678 -20.9678 -20.9409 -20.9409 -9.1577 -9.1577 -9.0762 -9.0762 0.1031 0.1031 0.3186 0.3186 0.8601 0.8601 0.9014 0.9014 1.3229 1.3229 1.3513 1.3513 4.9101 4.9101 4.9609 4.9609 6.7076 6.7076 6.7542 6.7542 k = 0.0000 0.0000 0.2899 ( 13098 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1308 -21.1308 -20.9667 -20.9667 -20.9268 -20.9268 -9.2235 -9.2235 -9.1856 -9.1856 0.5277 0.5277 0.6761 0.6761 0.9133 0.9133 1.0750 1.0750 1.3676 1.3676 1.8204 1.8204 3.4918 3.4918 3.6173 3.6173 7.5084 7.5084 8.1009 8.1009 k = 0.0122-0.0000 0.2899 ( 13094 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8760 -42.8760 -42.3971 -42.3971 -21.1309 -21.1306 -20.9668 -20.9667 -20.9270 -20.9266 -9.2234 -9.2234 -9.1855 -9.1854 0.5275 0.5276 0.6749 0.6751 0.9136 0.9137 1.0753 1.0755 1.3668 1.3671 1.8183 1.8184 3.4943 3.4944 3.6184 3.6185 7.5099 7.5100 8.1004 8.1005 k = 0.0244-0.0000 0.2899 ( 13092 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8759 -42.8759 -42.3972 -42.3972 -21.1310 -21.1305 -20.9669 -20.9666 -20.9273 -20.9265 -9.2231 -9.2231 -9.1851 -9.1850 0.5270 0.5273 0.6713 0.6717 0.9146 0.9148 1.0761 1.0765 1.3647 1.3652 1.8124 1.8126 3.5019 3.5021 3.6220 3.6221 7.5145 7.5146 8.0990 8.0991 k = 0.0366-0.0000 0.2899 ( 13086 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8759 -42.8759 -42.3972 -42.3972 -21.1312 -21.1304 -20.9670 -20.9665 -20.9276 -20.9264 -9.2226 -9.2226 -9.1843 -9.1842 0.5261 0.5266 0.6656 0.6661 0.9164 0.9167 1.0776 1.0782 1.3612 1.3619 1.8030 1.8033 3.5144 3.5147 3.6279 3.6280 7.5221 7.5222 8.0962 8.0964 k = 0.0488-0.0000 0.2899 ( 13088 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8758 -42.8758 -42.3973 -42.3973 -21.1313 -21.1304 -20.9670 -20.9664 -20.9280 -20.9264 -9.2219 -9.2219 -9.1833 -9.1831 0.5247 0.5253 0.6577 0.6584 0.9189 0.9194 1.0797 1.0805 1.3562 1.3572 1.7904 1.7908 3.5316 3.5320 3.6361 3.6363 7.5324 7.5326 8.0915 8.0918 k = 0.0610-0.0000 0.2899 ( 13090 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8757 -42.8757 -42.3974 -42.3974 -21.1315 -21.1303 -20.9671 -20.9663 -20.9283 -20.9264 -9.2210 -9.2210 -9.1820 -9.1818 0.5226 0.5234 0.6478 0.6487 0.9223 0.9229 1.0824 1.0834 1.3495 1.3508 1.7753 1.7758 3.5530 3.5535 3.6466 3.6469 7.5453 7.5455 8.0840 8.0844 k = 0.0732-0.0000 0.2899 ( 13096 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8756 -42.8756 -42.3975 -42.3975 -21.1316 -21.1303 -20.9672 -20.9663 -20.9288 -20.9265 -9.2199 -9.2199 -9.1804 -9.1801 0.5195 0.5204 0.6364 0.6374 0.9266 0.9273 1.0856 1.0868 1.3412 1.3426 1.7584 1.7590 3.5783 3.5789 3.6594 3.6598 7.5604 7.5606 8.0729 8.0733 k = 0.0854-0.0000 0.2899 ( 13098 PWs) bands (ev): -49.0356 -49.0356 -43.1563 -43.1563 -43.1415 -43.1415 -43.0915 -43.0915 -42.8755 -42.8755 -42.3976 -42.3976 -21.1318 -21.1302 -20.9672 -20.9662 -20.9292 -20.9266 -9.2187 -9.2186 -9.1786 -9.1782 0.5149 0.5160 0.6237 0.6249 0.9317 0.9325 1.0893 1.0908 1.3310 1.3326 1.7404 1.7411 3.6070 3.6076 3.6745 3.6749 7.5771 7.5774 8.0569 8.0574 k = 0.0976-0.0000 0.2899 ( 13096 PWs) bands (ev): -49.0355 -49.0355 -43.1563 -43.1563 -43.1414 -43.1414 -43.0915 -43.0915 -42.8754 -42.8754 -42.3977 -42.3977 -21.1320 -21.1302 -20.9673 -20.9661 -20.9297 -20.9268 -9.2173 -9.2172 -9.1764 -9.1760 0.5082 0.5095 0.6105 0.6118 0.9377 0.9386 1.0935 1.0952 1.3189 1.3208 1.7221 1.7228 3.6387 3.6394 3.6917 3.6922 7.5949 7.5953 8.0351 8.0356 k = 0.1098-0.0000 0.2899 ( 13090 PWs) bands (ev): -49.0355 -49.0355 -43.1563 -43.1563 -43.1414 -43.1414 -43.0915 -43.0915 -42.8752 -42.8752 -42.3979 -42.3979 -21.1322 -21.1302 -20.9674 -20.9660 -20.9303 -20.9270 -9.2157 -9.2156 -9.1740 -9.1736 0.4990 0.5004 0.5973 0.5987 0.9446 0.9456 1.0980 1.0999 1.3051 1.3071 1.7042 1.7049 3.6729 3.6737 3.7112 3.7117 7.6129 7.6133 8.0067 8.0072 k = 0.1220-0.0000 0.2899 ( 13088 PWs) bands (ev): -49.0355 -49.0355 -43.1562 -43.1562 -43.1414 -43.1414 -43.0915 -43.0915 -42.8751 -42.8751 -42.3981 -42.3981 -21.1324 -21.1302 -20.9674 -20.9660 -20.9308 -20.9272 -9.2140 -9.2139 -9.1714 -9.1709 0.4865 0.4879 0.5847 0.5861 0.9521 0.9534 1.1027 1.1049 1.2897 1.2919 1.6871 1.6879 3.7092 3.7100 3.7330 3.7334 7.6299 7.6304 7.9713 7.9717 k = 0.1341-0.0000 0.2899 ( 13088 PWs) bands (ev): -49.0355 -49.0355 -43.1562 -43.1562 -43.1413 -43.1413 -43.0915 -43.0915 -42.8749 -42.8749 -42.3983 -42.3983 -21.1326 -21.1302 -20.9675 -20.9659 -20.9314 -20.9275 -9.2122 -9.2121 -9.1685 -9.1680 0.4706 0.4719 0.5730 0.5743 0.9604 0.9618 1.1074 1.1099 1.2733 1.2755 1.6713 1.6721 3.7462 3.7472 3.7578 3.7583 7.6441 7.6448 7.9290 7.9295 k = 0.1463-0.0000 0.2899 ( 13090 PWs) bands (ev): -49.0355 -49.0355 -43.1562 -43.1562 -43.1413 -43.1413 -43.0915 -43.0915 -42.8747 -42.8747 -42.3985 -42.3985 -21.1328 -21.1303 -20.9676 -20.9658 -20.9320 -20.9278 -9.2102 -9.2101 -9.1654 -9.1648 0.4514 0.4525 0.5620 0.5631 0.9691 0.9708 1.1118 1.1147 1.2566 1.2589 1.6570 1.6578 3.7784 3.7796 3.7909 3.7917 7.6530 7.6539 7.8813 7.8818 k = 0.1585-0.0000 0.2899 ( 13092 PWs) bands (ev): -49.0354 -49.0354 -43.1562 -43.1562 -43.1413 -43.1413 -43.0915 -43.0915 -42.8745 -42.8745 -42.3987 -42.3987 -21.1330 -21.1303 -20.9676 -20.9658 -20.9326 -20.9282 -9.2081 -9.2080 -9.1621 -9.1615 0.4294 0.4303 0.5510 0.5520 0.9781 0.9802 1.1156 1.1189 1.2406 1.2429 1.6444 1.6451 3.8070 3.8081 3.8313 3.8322 7.6521 7.6533 7.8311 7.8317 k = 0.1707-0.0000 0.2899 ( 13088 PWs) bands (ev): -49.0354 -49.0354 -43.1562 -43.1562 -43.1412 -43.1412 -43.0915 -43.0915 -42.8743 -42.8743 -42.3989 -42.3989 -21.1332 -21.1304 -20.9677 -20.9657 -20.9332 -20.9286 -9.2059 -9.2058 -9.1586 -9.1579 0.4052 0.4060 0.5394 0.5402 0.9873 0.9897 1.1182 1.1220 1.2266 1.2289 1.6333 1.6340 3.8366 3.8377 3.8738 3.8747 7.6346 7.6362 7.7838 7.7848 k = 0.1829-0.0000 0.2899 ( 13086 PWs) bands (ev): -49.0354 -49.0354 -43.1562 -43.1562 -43.1412 -43.1412 -43.0915 -43.0915 -42.8740 -42.8740 -42.3991 -42.3991 -21.1334 -21.1305 -20.9678 -20.9657 -20.9338 -20.9290 -9.2037 -9.2036 -9.1549 -9.1542 0.3793 0.3800 0.5265 0.5273 0.9961 0.9990 1.1193 1.1236 1.2160 1.2181 1.6237 1.6244 3.8679 3.8690 3.9175 3.9184 7.5942 7.5960 7.7446 7.7457 k = 0.1951-0.0000 0.2899 ( 13088 PWs) bands (ev): -49.0353 -49.0353 -43.1562 -43.1562 -43.1411 -43.1411 -43.0915 -43.0915 -42.8738 -42.8738 -42.3994 -42.3994 -21.1336 -21.1306 -20.9678 -20.9656 -20.9345 -20.9294 -9.2013 -9.2012 -9.1510 -9.1504 0.3523 0.3528 0.5119 0.5127 1.0041 1.0076 1.1187 1.1235 1.2099 1.2117 1.6153 1.6161 3.9011 3.9022 3.9622 3.9631 7.5334 7.5350 7.7095 7.7105 k = 0.2073-0.0000 0.2899 ( 13088 PWs) bands (ev): -49.0353 -49.0353 -43.1562 -43.1562 -43.1411 -43.1411 -43.0915 -43.0915 -42.8736 -42.8736 -42.3996 -42.3996 -21.1337 -21.1307 -20.9679 -20.9656 -20.9351 -20.9299 -9.1990 -9.1988 -9.1471 -9.1464 0.3244 0.3249 0.4952 0.4961 1.0107 1.0149 1.1176 1.1226 1.2083 1.2097 1.6081 1.6089 3.9361 3.9373 4.0078 4.0087 7.4597 7.4612 7.6699 7.6708 k = 0.2195-0.0000 0.2899 ( 13084 PWs) bands (ev): -49.0353 -49.0353 -43.1562 -43.1562 -43.1411 -43.1411 -43.0915 -43.0915 -42.8733 -42.8733 -42.3999 -42.3999 -21.1339 -21.1308 -20.9679 -20.9656 -20.9357 -20.9304 -9.1965 -9.1964 -9.1430 -9.1423 0.2962 0.2966 0.4762 0.4772 1.0156 1.0202 1.1175 1.1227 1.2105 1.2114 1.6019 1.6027 3.9730 3.9742 4.0542 4.0551 7.3783 7.3798 7.6206 7.6214 k = 0.2317-0.0000 0.2899 ( 13084 PWs) bands (ev): -49.0352 -49.0352 -43.1562 -43.1562 -43.1410 -43.1410 -43.0915 -43.0915 -42.8731 -42.8731 -42.4001 -42.4001 -21.1341 -21.1309 -20.9680 -20.9656 -20.9363 -20.9309 -9.1941 -9.1940 -9.1389 -9.1382 0.2678 0.2682 0.4550 0.4560 1.0184 1.0232 1.1199 1.1251 1.2153 1.2158 1.5964 1.5973 4.0117 4.0130 4.1014 4.1023 7.2923 7.2936 7.5598 7.5606 k = 0.2439-0.0000 0.2899 ( 13076 PWs) bands (ev): -49.0352 -49.0352 -43.1562 -43.1562 -43.1410 -43.1410 -43.0915 -43.0915 -42.8728 -42.8728 -42.4004 -42.4004 -21.1343 -21.1311 -20.9680 -20.9656 -20.9369 -20.9314 -9.1916 -9.1915 -9.1347 -9.1340 0.2395 0.2400 0.4315 0.4326 1.0195 1.0244 1.1255 1.1304 1.2218 1.2219 1.5917 1.5926 4.0523 4.0536 4.1495 4.1503 7.2030 7.2044 7.4883 7.4890 k = 0.2561-0.0000 0.2899 ( 13078 PWs) bands (ev): -49.0352 -49.0352 -43.1562 -43.1562 -43.1409 -43.1409 -43.0915 -43.0915 -42.8725 -42.8725 -42.4007 -42.4007 -21.1345 -21.1313 -20.9681 -20.9656 -20.9375 -20.9319 -9.1891 -9.1890 -9.1304 -9.1297 0.2115 0.2121 0.4059 0.4072 1.0198 1.0244 1.1336 1.1381 1.2292 1.2295 1.5875 1.5885 4.0947 4.0961 4.1983 4.1991 7.1116 7.1130 7.4076 7.4082 k = 0.2683-0.0000 0.2899 ( 13076 PWs) bands (ev): -49.0352 -49.0352 -43.1562 -43.1562 -43.1409 -43.1409 -43.0915 -43.0915 -42.8723 -42.8723 -42.4009 -42.4009 -21.1346 -21.1314 -20.9681 -20.9656 -20.9380 -20.9325 -9.1867 -9.1865 -9.1262 -9.1255 0.1841 0.1847 0.3787 0.3801 1.0200 1.0243 1.1436 1.1478 1.2373 1.2379 1.5837 1.5849 4.1391 4.1405 4.2479 4.2488 7.0188 7.0201 7.3194 7.3200 k = 0.2805-0.0000 0.2899 ( 13078 PWs) bands (ev): -49.0351 -49.0351 -43.1562 -43.1562 -43.1408 -43.1408 -43.0915 -43.0915 -42.8720 -42.8720 -42.4012 -42.4012 -21.1348 -21.1316 -20.9682 -20.9656 -20.9385 -20.9330 -9.1842 -9.1841 -9.1220 -9.1213 0.1575 0.1581 0.3502 0.3516 1.0206 1.0246 1.1548 1.1585 1.2460 1.2469 1.5804 1.5816 4.1853 4.1868 4.2984 4.2993 6.9250 6.9264 7.2257 7.2262 k = 0.2927-0.0000 0.2899 ( 13076 PWs) bands (ev): -49.0351 -49.0351 -43.1561 -43.1561 -43.1408 -43.1408 -43.0915 -43.0915 -42.8718 -42.8718 -42.4014 -42.4014 -21.1349 -21.1318 -20.9682 -20.9657 -20.9390 -20.9336 -9.1818 -9.1817 -9.1178 -9.1171 0.1318 0.1324 0.3207 0.3222 1.0219 1.0257 1.1665 1.1699 1.2552 1.2563 1.5774 1.5787 4.2334 4.2349 4.3498 4.3507 6.8309 6.8323 7.1278 7.1284 k = 0.3049-0.0000 0.2899 ( 13072 PWs) bands (ev): -49.0351 -49.0351 -43.1561 -43.1561 -43.1408 -43.1408 -43.0915 -43.0915 -42.8715 -42.8715 -42.4017 -42.4017 -21.1350 -21.1320 -20.9682 -20.9658 -20.9394 -20.9341 -9.1795 -9.1794 -9.1137 -9.1130 0.1072 0.1078 0.2907 0.2922 1.0241 1.0276 1.1783 1.1814 1.2647 1.2660 1.5747 1.5761 4.2834 4.2850 4.4022 4.4031 6.7366 6.7381 7.0272 7.0277 k = 0.3171-0.0000 0.2899 ( 13076 PWs) bands (ev): -49.0350 -49.0350 -43.1561 -43.1561 -43.1407 -43.1407 -43.0915 -43.0915 -42.8713 -42.8713 -42.4019 -42.4019 -21.1352 -21.1322 -20.9683 -20.9658 -20.9398 -20.9347 -9.1772 -9.1771 -9.1097 -9.1090 0.0837 0.0845 0.2605 0.2620 1.0271 1.0304 1.1898 1.1926 1.2745 1.2760 1.5723 1.5738 4.3353 4.3369 4.4557 4.4565 6.6426 6.6441 6.9246 6.9251 k = 0.3293-0.0000 0.2899 ( 13070 PWs) bands (ev): -49.0350 -49.0350 -43.1561 -43.1561 -43.1407 -43.1407 -43.0915 -43.0915 -42.8711 -42.8711 -42.4022 -42.4022 -21.1353 -21.1324 -20.9683 -20.9659 -20.9402 -20.9352 -9.1750 -9.1749 -9.1058 -9.1052 0.0617 0.0625 0.2304 0.2320 1.0309 1.0339 1.2008 1.2033 1.2846 1.2862 1.5701 1.5717 4.3891 4.3908 4.5103 4.5111 6.5490 6.5505 6.8211 6.8216 k = 0.3415-0.0000 0.2899 ( 13070 PWs) bands (ev): -49.0350 -49.0350 -43.1561 -43.1561 -43.1406 -43.1406 -43.0915 -43.0915 -42.8709 -42.8709 -42.4024 -42.4024 -21.1353 -21.1326 -20.9683 -20.9660 -20.9405 -20.9357 -9.1729 -9.1728 -9.1020 -9.1014 0.0411 0.0419 0.2009 0.2025 1.0353 1.0381 1.2110 1.2133 1.2950 1.2967 1.5681 1.5697 4.4447 4.4464 4.5662 4.5669 6.4560 6.4576 6.7172 6.7177 k = 0.3537-0.0000 0.2899 ( 13068 PWs) bands (ev): -49.0349 -49.0349 -43.1561 -43.1561 -43.1406 -43.1406 -43.0915 -43.0915 -42.8706 -42.8706 -42.4026 -42.4026 -21.1354 -21.1328 -20.9683 -20.9661 -20.9408 -20.9362 -9.1708 -9.1708 -9.0985 -9.0979 0.0221 0.0230 0.1721 0.1736 1.0401 1.0427 1.2202 1.2224 1.3055 1.3073 1.5662 1.5679 4.5022 4.5039 4.6233 4.6240 6.3639 6.3655 6.6133 6.6138 k = 0.3659-0.0000 0.2899 ( 13076 PWs) bands (ev): -49.0349 -49.0349 -43.1561 -43.1561 -43.1406 -43.1406 -43.0915 -43.0915 -42.8704 -42.8704 -42.4028 -42.4028 -21.1355 -21.1330 -20.9683 -20.9663 -20.9410 -20.9367 -9.1689 -9.1689 -9.0951 -9.0946 0.0048 0.0057 0.1442 0.1458 1.0452 1.0477 1.2284 1.2304 1.3161 1.3179 1.5645 1.5662 4.5614 4.5632 4.6819 4.6825 6.2728 6.2745 6.5100 6.5105 k = 0.3780-0.0000 0.2899 ( 13070 PWs) bands (ev): -49.0349 -49.0349 -43.1561 -43.1561 -43.1405 -43.1405 -43.0915 -43.0915 -42.8703 -42.8703 -42.4030 -42.4030 -21.1355 -21.1333 -20.9683 -20.9664 -20.9412 -20.9372 -9.1672 -9.1671 -9.0919 -9.0914 -0.0107 -0.0098 0.1176 0.1192 1.0506 1.0528 1.2356 1.2374 1.3266 1.3284 1.5629 1.5646 4.6223 4.6242 4.7419 4.7425 6.1829 6.1845 6.4076 6.4081 k = 0.3902-0.0000 0.2899 ( 13066 PWs) bands (ev): -49.0349 -49.0349 -43.1561 -43.1561 -43.1405 -43.1405 -43.0915 -43.0915 -42.8701 -42.8701 -42.4032 -42.4032 -21.1356 -21.1335 -20.9683 -20.9665 -20.9414 -20.9377 -9.1655 -9.1655 -9.0890 -9.0885 -0.0243 -0.0234 0.0925 0.0940 1.0559 1.0580 1.2418 1.2434 1.3369 1.3387 1.5615 1.5631 4.6849 4.6868 4.8035 4.8040 6.0942 6.0959 6.3063 6.3068 k = 0.4024-0.0000 0.2899 ( 13068 PWs) bands (ev): -49.0349 -49.0349 -43.1561 -43.1561 -43.1405 -43.1405 -43.0915 -43.0915 -42.8699 -42.8699 -42.4034 -42.4034 -21.1356 -21.1337 -20.9683 -20.9667 -20.9415 -20.9382 -9.1640 -9.1640 -9.0863 -9.0859 -0.0360 -0.0350 0.0688 0.0704 1.0611 1.0630 1.2469 1.2485 1.3468 1.3486 1.5601 1.5617 4.7490 4.7510 4.8668 4.8673 6.0070 6.0087 6.2065 6.2070 k = 0.4146-0.0000 0.2899 ( 13082 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1405 -43.1405 -43.0915 -43.0915 -42.8698 -42.8698 -42.4035 -42.4035 -21.1356 -21.1339 -20.9683 -20.9668 -20.9416 -20.9386 -9.1627 -9.1626 -9.0839 -9.0835 -0.0458 -0.0447 0.0469 0.0484 1.0661 1.0678 1.2512 1.2526 1.3562 1.3578 1.5589 1.5604 4.8145 4.8165 4.9318 4.9322 5.9213 5.9231 6.1084 6.1089 k = 0.4268-0.0000 0.2899 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8697 -42.8697 -42.4036 -42.4036 -21.1355 -21.1341 -20.9682 -20.9670 -20.9416 -20.9390 -9.1615 -9.1615 -9.0818 -9.0815 -0.0534 -0.0524 0.0269 0.0284 1.0707 1.0722 1.2547 1.2560 1.3648 1.3663 1.5577 1.5591 4.8811 4.8831 4.9986 4.9988 5.8375 5.8393 6.0122 6.0126 k = 0.4390-0.0000 0.2899 ( 13094 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8696 -42.8696 -42.4038 -42.4038 -21.1355 -21.1343 -20.9682 -20.9671 -20.9416 -20.9394 -9.1605 -9.1605 -9.0799 -9.0797 -0.0590 -0.0579 0.0088 0.0102 1.0748 1.0761 1.2575 1.2586 1.3724 1.3738 1.5567 1.5580 4.9486 4.9506 5.0670 5.0672 5.7557 5.7576 5.9183 5.9187 k = 0.4512-0.0000 0.2899 ( 13086 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8695 -42.8695 -42.4038 -42.4038 -21.1354 -21.1344 -20.9681 -20.9672 -20.9415 -20.9397 -9.1597 -9.1596 -9.0784 -9.0782 -0.0625 -0.0614 -0.0073 -0.0059 1.0784 1.0794 1.2597 1.2605 1.3790 1.3801 1.5559 1.5569 5.0163 5.0183 5.1367 5.1369 5.6767 5.6786 5.8270 5.8273 k = 0.4634-0.0000 0.2899 ( 13082 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8694 -42.8694 -42.4039 -42.4039 -21.1354 -21.1346 -20.9680 -20.9674 -20.9414 -20.9401 -9.1590 -9.1590 -9.0772 -9.0771 -0.0640 -0.0629 -0.0211 -0.0197 1.0813 1.0821 1.2613 1.2619 1.3843 1.3852 1.5552 1.5560 5.0833 5.0852 5.2069 5.2071 5.6018 5.6037 5.7391 5.7393 k = 0.4756-0.0000 0.2899 ( 13078 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8694 -42.8694 -42.4040 -42.4040 -21.1353 -21.1348 -20.9679 -20.9675 -20.9413 -20.9404 -9.1585 -9.1585 -9.0764 -9.0763 -0.0636 -0.0625 -0.0324 -0.0312 1.0835 1.0840 1.2624 1.2629 1.3883 1.3889 1.5547 1.5553 5.1471 5.1488 5.2751 5.2755 5.5344 5.5362 5.6562 5.6562 k = 0.4878-0.0000 0.2899 ( 13080 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1352 -21.1349 -20.9678 -20.9676 -20.9411 -20.9406 -9.1582 -9.1582 -9.0758 -9.0758 -0.0617 -0.0609 -0.0406 -0.0398 1.0849 1.0851 1.2631 1.2634 1.3907 1.3910 1.5545 1.5548 5.2009 5.2021 5.3324 5.3329 5.4854 5.4867 5.5834 5.5835 k = 0.5000-0.0000 0.2899 ( 13084 PWs) bands (ev): -49.0348 -49.0348 -43.1561 -43.1561 -43.1404 -43.1404 -43.0915 -43.0915 -42.8693 -42.8693 -42.4040 -42.4040 -21.1351 -21.1351 -20.9677 -20.9677 -20.9409 -20.9409 -9.1582 -9.1582 -9.0756 -9.0756 -0.0600 -0.0600 -0.0437 -0.0437 1.0854 1.0854 1.2634 1.2634 1.3917 1.3917 1.5545 1.5545 5.2256 5.2256 5.3556 5.3556 5.4731 5.4731 5.5457 5.5457 Writing output data file NaLi5N2.save init_run : 2.26s CPU 12.44s WALL ( 1 calls) electrons : 537.65s CPU 546.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.46s CPU 1.71s WALL ( 1 calls) Called by electrons: c_bands : 537.63s CPU 545.86s WALL ( 1 calls) v_of_rho : 0.33s CPU 1.07s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.32s CPU 0.59s WALL ( 1 calls) newd : 0.23s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.23s WALL ( 306 calls) cegterg : 469.58s CPU 474.29s WALL ( 493 calls) Called by sum_band: Called by *egterg: h_psi : 318.45s CPU 323.81s WALL ( 7750 calls) s_psi : 17.69s CPU 17.98s WALL ( 7750 calls) g_psi : 1.15s CPU 1.18s WALL ( 6951 calls) cdiaghg : 79.19s CPU 78.07s WALL ( 7257 calls) cegterg:over : 45.66s CPU 43.41s WALL ( 6951 calls) cegterg:upda : 16.15s CPU 19.09s WALL ( 6951 calls) cegterg:last : 13.79s CPU 14.39s WALL ( 1411 calls) Called by h_psi: h_psi:vloc : 271.07s CPU 274.68s WALL ( 7750 calls) h_psi:vnl : 46.77s CPU 47.92s WALL ( 7750 calls) add_vuspsi : 13.88s CPU 16.50s WALL ( 7750 calls) General routines calbec : 32.87s CPU 31.36s WALL ( 7750 calls) fft : 0.41s CPU 1.63s WALL ( 15 calls) fftw : 260.90s CPU 263.20s WALL ( 745116 calls) davcio : 0.05s CPU 2.67s WALL ( 612 calls) Parallel routines fft_scatter : 166.35s CPU 165.96s WALL ( 745131 calls) PWSCF : 10m19.32s CPU 13m24.85s WALL This run was terminated on: 5:31: 8 3Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=