Program PWSCF v.5.1.1 starts on 18Jul2015 at 14:52:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgSe.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized 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 37 22 6 2009 954 144 Max 38 23 7 2015 969 153 Sum 1777 1069 313 96633 46155 7139 bravais-lattice index = 14 lattice parameter (alat) = 8.1617 a.u. unit-cell volume = 754.2874 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.161727 celldm(2)= 1.000000 celldm(3)= 1.601991 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.601991 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.624223 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Se 6.00 78.96000 Se( 1.00) Mg 10.00 24.30500 Mg( 1.00) 6 Sym. Ops. (no inversion) found (note: 6 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0032258 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0032258 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0032258 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0032258 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0032258 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0032258 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0032258 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0032258 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0032258 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0032258 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0032258 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0032258 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0032258 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0032258 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0032258 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0032258 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0032258 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032258 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0032258 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0032258 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0032258 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0032258 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0032258 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0032258 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0032258 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0032258 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0032258 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0032258 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0032258 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0032258 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0032258 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0032258 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0032258 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0032258 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0032258 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0032258 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0032258 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0032258 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 45) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0032258 k( 46) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0032258 k( 47) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0032258 k( 48) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0032258 k( 49) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0032258 k( 50) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0032258 k( 51) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0032258 k( 52) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0032258 k( 53) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0032258 k( 54) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0032258 k( 55) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0032258 k( 56) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0032258 k( 57) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0032258 k( 58) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0032258 k( 59) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0032258 k( 60) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0032258 k( 61) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0032258 k( 62) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0032258 k( 63) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0032258 k( 64) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0032258 k( 65) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0032258 k( 66) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0032258 k( 68) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0032258 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 71) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0032258 k( 72) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0032258 k( 73) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0032258 k( 74) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0032258 k( 75) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0032258 k( 76) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0032258 k( 77) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0032258 k( 78) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0032258 k( 79) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0032258 k( 80) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0032258 k( 81) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0032258 k( 82) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0032258 k( 83) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0032258 k( 84) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0032258 k( 85) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0032258 k( 86) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0032258 k( 87) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0032258 k( 88) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0032258 k( 89) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0032258 k( 90) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0032258 k( 91) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0032258 k( 92) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0032258 k( 93) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0032258 k( 94) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0032258 k( 95) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0032258 k( 96) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0032258 k( 97) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0032258 k( 98) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0032258 k( 99) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0032258 k( 100) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0032258 k( 101) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0032258 k( 102) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0032258 k( 103) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0032258 k( 104) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0032258 k( 105) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0032258 k( 106) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0032258 k( 107) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0032258 k( 108) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0032258 k( 109) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0032258 k( 110) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0032258 k( 111) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0032258 k( 112) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0032258 k( 113) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0032258 k( 114) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0032258 k( 115) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0032258 k( 116) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0032258 k( 117) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0032258 k( 118) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0032258 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 121) = ( 0.0000000 0.0000000 0.0135701), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.0271401), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.0407102), wk = 0.0032258 k( 124) = ( 0.0000000 0.0000000 0.0542803), wk = 0.0032258 k( 125) = ( 0.0000000 0.0000000 0.0678503), wk = 0.0032258 k( 126) = ( 0.0000000 0.0000000 0.0814204), wk = 0.0032258 k( 127) = ( 0.0000000 0.0000000 0.0949905), wk = 0.0032258 k( 128) = ( 0.0000000 0.0000000 0.1085605), wk = 0.0032258 k( 129) = ( 0.0000000 0.0000000 0.1221306), wk = 0.0032258 k( 130) = ( 0.0000000 0.0000000 0.1357007), wk = 0.0032258 k( 131) = ( 0.0000000 0.0000000 0.1492708), wk = 0.0032258 k( 132) = ( 0.0000000 0.0000000 0.1628408), wk = 0.0032258 k( 133) = ( 0.0000000 0.0000000 0.1764109), wk = 0.0032258 k( 134) = ( 0.0000000 0.0000000 0.1899810), wk = 0.0032258 k( 135) = ( 0.0000000 0.0000000 0.2035510), wk = 0.0032258 k( 136) = ( 0.0000000 0.0000000 0.2171211), wk = 0.0032258 k( 137) = ( 0.0000000 0.0000000 0.2306912), wk = 0.0032258 k( 138) = ( 0.0000000 0.0000000 0.2442612), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.2578313), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.2714014), wk = 0.0032258 k( 141) = ( 0.0000000 0.0000000 0.2849714), wk = 0.0032258 k( 142) = ( 0.0000000 0.0000000 0.2985415), wk = 0.0032258 k( 143) = ( 0.0000000 0.0000000 0.3121116), wk = 0.0032258 k( 144) = ( 0.0000000 0.0000000 0.3121116), wk = 0.0032258 k( 145) = ( 0.0119048 0.0068732 0.3121116), wk = 0.0032258 k( 146) = ( 0.0238095 0.0137464 0.3121116), wk = 0.0032258 k( 147) = ( 0.0357143 0.0206197 0.3121116), wk = 0.0032258 k( 148) = ( 0.0476191 0.0274929 0.3121116), wk = 0.0032258 k( 149) = ( 0.0595238 0.0343661 0.3121116), wk = 0.0032258 k( 150) = ( 0.0714286 0.0412393 0.3121116), wk = 0.0032258 k( 151) = ( 0.0833333 0.0481125 0.3121116), wk = 0.0032258 k( 152) = ( 0.0952381 0.0549857 0.3121116), wk = 0.0032258 k( 153) = ( 0.1071429 0.0618590 0.3121116), wk = 0.0032258 k( 154) = ( 0.1190476 0.0687322 0.3121116), wk = 0.0032258 k( 155) = ( 0.1309524 0.0756054 0.3121116), wk = 0.0032258 k( 156) = ( 0.1428571 0.0824786 0.3121116), wk = 0.0032258 k( 157) = ( 0.1547619 0.0893518 0.3121116), wk = 0.0032258 k( 158) = ( 0.1666667 0.0962250 0.3121116), wk = 0.0032258 k( 159) = ( 0.1785714 0.1030983 0.3121116), wk = 0.0032258 k( 160) = ( 0.1904762 0.1099715 0.3121116), wk = 0.0032258 k( 161) = ( 0.2023810 0.1168447 0.3121116), wk = 0.0032258 k( 162) = ( 0.2142857 0.1237179 0.3121116), wk = 0.0032258 k( 163) = ( 0.2261905 0.1305911 0.3121116), wk = 0.0032258 k( 164) = ( 0.2380952 0.1374644 0.3121116), wk = 0.0032258 k( 165) = ( 0.2500000 0.1443376 0.3121116), wk = 0.0032258 k( 166) = ( 0.2619048 0.1512108 0.3121116), wk = 0.0032258 k( 167) = ( 0.2738095 0.1580840 0.3121116), wk = 0.0032258 k( 168) = ( 0.2857143 0.1649572 0.3121116), wk = 0.0032258 k( 169) = ( 0.2976190 0.1718304 0.3121116), wk = 0.0032258 k( 170) = ( 0.3095238 0.1787037 0.3121116), wk = 0.0032258 k( 171) = ( 0.3214286 0.1855769 0.3121116), wk = 0.0032258 k( 172) = ( 0.3333333 0.1924501 0.3121116), wk = 0.0032258 k( 173) = ( 0.3452381 0.1993233 0.3121116), wk = 0.0032258 k( 174) = ( 0.3571429 0.2061965 0.3121116), wk = 0.0032258 k( 175) = ( 0.3690476 0.2130697 0.3121116), wk = 0.0032258 k( 176) = ( 0.3809524 0.2199430 0.3121116), wk = 0.0032258 k( 177) = ( 0.3928571 0.2268162 0.3121116), wk = 0.0032258 k( 178) = ( 0.4047619 0.2336894 0.3121116), wk = 0.0032258 k( 179) = ( 0.4166667 0.2405626 0.3121116), wk = 0.0032258 k( 180) = ( 0.4285714 0.2474358 0.3121116), wk = 0.0032258 k( 181) = ( 0.4404762 0.2543090 0.3121116), wk = 0.0032258 k( 182) = ( 0.4523810 0.2611823 0.3121116), wk = 0.0032258 k( 183) = ( 0.4642857 0.2680555 0.3121116), wk = 0.0032258 k( 184) = ( 0.4761905 0.2749287 0.3121116), wk = 0.0032258 k( 185) = ( 0.4880952 0.2818019 0.3121116), wk = 0.0032258 k( 186) = ( 0.5000000 0.2886751 0.3121116), wk = 0.0032258 k( 187) = ( 0.5000000 0.2886751 0.3121116), wk = 0.0032258 k( 188) = ( 0.4933333 0.3002221 0.3121116), wk = 0.0032258 k( 189) = ( 0.4866667 0.3117692 0.3121116), wk = 0.0032258 k( 190) = ( 0.4800000 0.3233162 0.3121116), wk = 0.0032258 k( 191) = ( 0.4733333 0.3348632 0.3121116), wk = 0.0032258 k( 192) = ( 0.4666667 0.3464102 0.3121116), wk = 0.0032258 k( 193) = ( 0.4600000 0.3579572 0.3121116), wk = 0.0032258 k( 194) = ( 0.4533333 0.3695042 0.3121116), wk = 0.0032258 k( 195) = ( 0.4466667 0.3810512 0.3121116), wk = 0.0032258 k( 196) = ( 0.4400000 0.3925982 0.3121116), wk = 0.0032258 k( 197) = ( 0.4333333 0.4041452 0.3121116), wk = 0.0032258 k( 198) = ( 0.4266667 0.4156922 0.3121116), wk = 0.0032258 k( 199) = ( 0.4200000 0.4272392 0.3121116), wk = 0.0032258 k( 200) = ( 0.4133333 0.4387862 0.3121116), wk = 0.0032258 k( 201) = ( 0.4066667 0.4503332 0.3121116), wk = 0.0032258 k( 202) = ( 0.4000000 0.4618802 0.3121116), wk = 0.0032258 k( 203) = ( 0.3933333 0.4734272 0.3121116), wk = 0.0032258 k( 204) = ( 0.3866667 0.4849742 0.3121116), wk = 0.0032258 k( 205) = ( 0.3800000 0.4965212 0.3121116), wk = 0.0032258 k( 206) = ( 0.3733333 0.5080682 0.3121116), wk = 0.0032258 k( 207) = ( 0.3666667 0.5196152 0.3121116), wk = 0.0032258 k( 208) = ( 0.3600000 0.5311622 0.3121116), wk = 0.0032258 k( 209) = ( 0.3533333 0.5427092 0.3121116), wk = 0.0032258 k( 210) = ( 0.3466667 0.5542563 0.3121116), wk = 0.0032258 k( 211) = ( 0.3400000 0.5658033 0.3121116), wk = 0.0032258 k( 212) = ( 0.3333333 0.5773503 0.3121116), wk = 0.0032258 k( 213) = ( 0.3333333 0.5773503 0.3121116), wk = 0.0032258 k( 214) = ( 0.3265306 0.5655676 0.3121116), wk = 0.0032258 k( 215) = ( 0.3197279 0.5537850 0.3121116), wk = 0.0032258 k( 216) = ( 0.3129252 0.5420023 0.3121116), wk = 0.0032258 k( 217) = ( 0.3061224 0.5302196 0.3121116), wk = 0.0032258 k( 218) = ( 0.2993197 0.5184370 0.3121116), wk = 0.0032258 k( 219) = ( 0.2925170 0.5066543 0.3121116), wk = 0.0032258 k( 220) = ( 0.2857143 0.4948717 0.3121116), wk = 0.0032258 k( 221) = ( 0.2789116 0.4830890 0.3121116), wk = 0.0032258 k( 222) = ( 0.2721088 0.4713063 0.3121116), wk = 0.0032258 k( 223) = ( 0.2653061 0.4595237 0.3121116), wk = 0.0032258 k( 224) = ( 0.2585034 0.4477410 0.3121116), wk = 0.0032258 k( 225) = ( 0.2517007 0.4359584 0.3121116), wk = 0.0032258 k( 226) = ( 0.2448980 0.4241757 0.3121116), wk = 0.0032258 k( 227) = ( 0.2380952 0.4123931 0.3121116), wk = 0.0032258 k( 228) = ( 0.2312925 0.4006104 0.3121116), wk = 0.0032258 k( 229) = ( 0.2244898 0.3888277 0.3121116), wk = 0.0032258 k( 230) = ( 0.2176871 0.3770451 0.3121116), wk = 0.0032258 k( 231) = ( 0.2108843 0.3652624 0.3121116), wk = 0.0032258 k( 232) = ( 0.2040816 0.3534798 0.3121116), wk = 0.0032258 k( 233) = ( 0.1972789 0.3416971 0.3121116), wk = 0.0032258 k( 234) = ( 0.1904762 0.3299144 0.3121116), wk = 0.0032258 k( 235) = ( 0.1836735 0.3181318 0.3121116), wk = 0.0032258 k( 236) = ( 0.1768707 0.3063491 0.3121116), wk = 0.0032258 k( 237) = ( 0.1700680 0.2945665 0.3121116), wk = 0.0032258 k( 238) = ( 0.1632653 0.2827838 0.3121116), wk = 0.0032258 k( 239) = ( 0.1564626 0.2710012 0.3121116), wk = 0.0032258 k( 240) = ( 0.1496599 0.2592185 0.3121116), wk = 0.0032258 k( 241) = ( 0.1428571 0.2474358 0.3121116), wk = 0.0032258 k( 242) = ( 0.1360544 0.2356532 0.3121116), wk = 0.0032258 k( 243) = ( 0.1292517 0.2238705 0.3121116), wk = 0.0032258 k( 244) = ( 0.1224490 0.2120879 0.3121116), wk = 0.0032258 k( 245) = ( 0.1156463 0.2003052 0.3121116), wk = 0.0032258 k( 246) = ( 0.1088435 0.1885225 0.3121116), wk = 0.0032258 k( 247) = ( 0.1020408 0.1767399 0.3121116), wk = 0.0032258 k( 248) = ( 0.0952381 0.1649572 0.3121116), wk = 0.0032258 k( 249) = ( 0.0884354 0.1531746 0.3121116), wk = 0.0032258 k( 250) = ( 0.0816327 0.1413919 0.3121116), wk = 0.0032258 k( 251) = ( 0.0748299 0.1296092 0.3121116), wk = 0.0032258 k( 252) = ( 0.0680272 0.1178266 0.3121116), wk = 0.0032258 k( 253) = ( 0.0612245 0.1060439 0.3121116), wk = 0.0032258 k( 254) = ( 0.0544218 0.0942613 0.3121116), wk = 0.0032258 k( 255) = ( 0.0476191 0.0824786 0.3121116), wk = 0.0032258 k( 256) = ( 0.0408163 0.0706960 0.3121116), wk = 0.0032258 k( 257) = ( 0.0340136 0.0589133 0.3121116), wk = 0.0032258 k( 258) = ( 0.0272109 0.0471306 0.3121116), wk = 0.0032258 k( 259) = ( 0.0204082 0.0353480 0.3121116), wk = 0.0032258 k( 260) = ( 0.0136054 0.0235653 0.3121116), wk = 0.0032258 k( 261) = ( 0.0068027 0.0117827 0.3121116), wk = 0.0032258 k( 262) = ( 0.0000000 0.0000000 0.3121116), wk = 0.0032258 k( 263) = ( 0.5000000 0.2886751 0.3121116), wk = 0.0032258 k( 264) = ( 0.5000000 0.2886751 0.2985415), wk = 0.0032258 k( 265) = ( 0.5000000 0.2886751 0.2849714), wk = 0.0032258 k( 266) = ( 0.5000000 0.2886751 0.2714014), wk = 0.0032258 k( 267) = ( 0.5000000 0.2886751 0.2578313), wk = 0.0032258 k( 268) = ( 0.5000000 0.2886751 0.2442612), wk = 0.0032258 k( 269) = ( 0.5000000 0.2886751 0.2306912), wk = 0.0032258 k( 270) = ( 0.5000000 0.2886751 0.2171211), wk = 0.0032258 k( 271) = ( 0.5000000 0.2886751 0.2035510), wk = 0.0032258 k( 272) = ( 0.5000000 0.2886751 0.1899810), wk = 0.0032258 k( 273) = ( 0.5000000 0.2886751 0.1764109), wk = 0.0032258 k( 274) = ( 0.5000000 0.2886751 0.1628408), wk = 0.0032258 k( 275) = ( 0.5000000 0.2886751 0.1492708), wk = 0.0032258 k( 276) = ( 0.5000000 0.2886751 0.1357007), wk = 0.0032258 k( 277) = ( 0.5000000 0.2886751 0.1221306), wk = 0.0032258 k( 278) = ( 0.5000000 0.2886751 0.1085605), wk = 0.0032258 k( 279) = ( 0.5000000 0.2886751 0.0949905), wk = 0.0032258 k( 280) = ( 0.5000000 0.2886751 0.0814204), wk = 0.0032258 k( 281) = ( 0.5000000 0.2886751 0.0678503), wk = 0.0032258 k( 282) = ( 0.5000000 0.2886751 0.0542803), wk = 0.0032258 k( 283) = ( 0.5000000 0.2886751 0.0407102), wk = 0.0032258 k( 284) = ( 0.5000000 0.2886751 0.0271401), wk = 0.0032258 k( 285) = ( 0.5000000 0.2886751 0.0135701), wk = 0.0032258 k( 286) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 287) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 288) = ( 0.3333333 0.5773503 0.0135701), wk = 0.0032258 k( 289) = ( 0.3333333 0.5773503 0.0271401), wk = 0.0032258 k( 290) = ( 0.3333333 0.5773503 0.0407102), wk = 0.0032258 k( 291) = ( 0.3333333 0.5773503 0.0542803), wk = 0.0032258 k( 292) = ( 0.3333333 0.5773503 0.0678503), wk = 0.0032258 k( 293) = ( 0.3333333 0.5773503 0.0814204), wk = 0.0032258 k( 294) = ( 0.3333333 0.5773503 0.0949905), wk = 0.0032258 k( 295) = ( 0.3333333 0.5773503 0.1085605), wk = 0.0032258 k( 296) = ( 0.3333333 0.5773503 0.1221306), wk = 0.0032258 k( 297) = ( 0.3333333 0.5773503 0.1357007), wk = 0.0032258 k( 298) = ( 0.3333333 0.5773503 0.1492708), wk = 0.0032258 k( 299) = ( 0.3333333 0.5773503 0.1628408), wk = 0.0032258 k( 300) = ( 0.3333333 0.5773503 0.1764109), wk = 0.0032258 k( 301) = ( 0.3333333 0.5773503 0.1899810), wk = 0.0032258 k( 302) = ( 0.3333333 0.5773503 0.2035510), wk = 0.0032258 k( 303) = ( 0.3333333 0.5773503 0.2171211), wk = 0.0032258 k( 304) = ( 0.3333333 0.5773503 0.2306912), wk = 0.0032258 k( 305) = ( 0.3333333 0.5773503 0.2442612), wk = 0.0032258 k( 306) = ( 0.3333333 0.5773503 0.2578313), wk = 0.0032258 k( 307) = ( 0.3333333 0.5773503 0.2714014), wk = 0.0032258 k( 308) = ( 0.3333333 0.5773503 0.2849714), wk = 0.0032258 k( 309) = ( 0.3333333 0.5773503 0.2985415), wk = 0.0032258 k( 310) = ( 0.3333333 0.5773503 0.3121116), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0032258 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0032258 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0032258 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0032258 k( 7) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0032258 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0032258 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0032258 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0032258 k( 12) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0032258 k( 13) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0032258 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0032258 k( 15) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0032258 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0032258 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0032258 k( 18) = ( 0.2023810 0.0000000 -0.0000000), wk = 0.0032258 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0032258 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0032258 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0032258 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0032258 k( 23) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0032258 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0032258 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0032258 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0032258 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0032258 k( 28) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0032258 k( 29) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0032258 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0032258 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0032258 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0032258 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0032258 k( 34) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0032258 k( 35) = ( 0.4047619 0.0000000 -0.0000000), wk = 0.0032258 k( 36) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0032258 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0032258 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0032258 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0032258 k( 40) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0032258 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0032258 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0032258 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 45) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0032258 k( 46) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0032258 k( 47) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0032258 k( 48) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0032258 k( 49) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0032258 k( 50) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0032258 k( 51) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0032258 k( 52) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0032258 k( 53) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0032258 k( 54) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0032258 k( 55) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0032258 k( 56) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0032258 k( 57) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0032258 k( 58) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0032258 k( 59) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0032258 k( 60) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0032258 k( 61) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0032258 k( 62) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0032258 k( 63) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0032258 k( 64) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0032258 k( 65) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0032258 k( 66) = ( 0.3533333 0.2933333 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0032258 k( 68) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0032258 k( 69) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 71) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0032258 k( 72) = ( 0.3197279 0.3197279 -0.0000000), wk = 0.0032258 k( 73) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0032258 k( 74) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0032258 k( 75) = ( 0.2993197 0.2993197 0.0000000), wk = 0.0032258 k( 76) = ( 0.2925170 0.2925170 -0.0000000), wk = 0.0032258 k( 77) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032258 k( 78) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0032258 k( 79) = ( 0.2721088 0.2721088 0.0000000), wk = 0.0032258 k( 80) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0032258 k( 81) = ( 0.2585034 0.2585034 0.0000000), wk = 0.0032258 k( 82) = ( 0.2517007 0.2517007 -0.0000000), wk = 0.0032258 k( 83) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0032258 k( 84) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0032258 k( 85) = ( 0.2312925 0.2312925 0.0000000), wk = 0.0032258 k( 86) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0032258 k( 87) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0032258 k( 88) = ( 0.2108843 0.2108843 0.0000000), wk = 0.0032258 k( 89) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0032258 k( 90) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0032258 k( 91) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0032258 k( 92) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0032258 k( 93) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0032258 k( 94) = ( 0.1700680 0.1700680 0.0000000), wk = 0.0032258 k( 95) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0032258 k( 96) = ( 0.1564626 0.1564626 0.0000000), wk = 0.0032258 k( 97) = ( 0.1496599 0.1496599 0.0000000), wk = 0.0032258 k( 98) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032258 k( 99) = ( 0.1360544 0.1360544 0.0000000), wk = 0.0032258 k( 100) = ( 0.1292517 0.1292517 0.0000000), wk = 0.0032258 k( 101) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0032258 k( 102) = ( 0.1156463 0.1156463 0.0000000), wk = 0.0032258 k( 103) = ( 0.1088435 0.1088435 0.0000000), wk = 0.0032258 k( 104) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0032258 k( 105) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0032258 k( 106) = ( 0.0884354 0.0884354 -0.0000000), wk = 0.0032258 k( 107) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0032258 k( 108) = ( 0.0748299 0.0748299 0.0000000), wk = 0.0032258 k( 109) = ( 0.0680272 0.0680272 0.0000000), wk = 0.0032258 k( 110) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0032258 k( 111) = ( 0.0544218 0.0544218 0.0000000), wk = 0.0032258 k( 112) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0032258 k( 113) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0032258 k( 114) = ( 0.0340136 0.0340136 -0.0000000), wk = 0.0032258 k( 115) = ( 0.0272109 0.0272109 0.0000000), wk = 0.0032258 k( 116) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0032258 k( 117) = ( 0.0136054 0.0136054 0.0000000), wk = 0.0032258 k( 118) = ( 0.0068027 0.0068027 0.0000000), wk = 0.0032258 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 121) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0032258 k( 124) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0032258 k( 125) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0032258 k( 126) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0032258 k( 127) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0032258 k( 128) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0032258 k( 129) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0032258 k( 130) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0032258 k( 131) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0032258 k( 132) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0032258 k( 133) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0032258 k( 134) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0032258 k( 135) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0032258 k( 136) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0032258 k( 137) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0032258 k( 138) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0032258 k( 141) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0032258 k( 142) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0032258 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 145) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0032258 k( 146) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0032258 k( 147) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0032258 k( 148) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0032258 k( 149) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0032258 k( 150) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0032258 k( 151) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0032258 k( 152) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0032258 k( 153) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0032258 k( 154) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0032258 k( 155) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0032258 k( 156) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0032258 k( 157) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0032258 k( 158) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0032258 k( 159) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0032258 k( 160) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0032258 k( 161) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0032258 k( 162) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0032258 k( 163) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0032258 k( 164) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0032258 k( 165) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0032258 k( 166) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0032258 k( 167) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0032258 k( 168) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0032258 k( 169) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0032258 k( 170) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0032258 k( 171) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0032258 k( 172) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0032258 k( 173) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0032258 k( 174) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0032258 k( 175) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0032258 k( 176) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0032258 k( 177) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0032258 k( 178) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0032258 k( 179) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0032258 k( 180) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0032258 k( 181) = ( 0.4404762 0.0000000 0.5000000), wk = 0.0032258 k( 182) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0032258 k( 183) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0032258 k( 184) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0032258 k( 185) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0032258 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 188) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0032258 k( 189) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0032258 k( 190) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0032258 k( 191) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0032258 k( 192) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0032258 k( 193) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0032258 k( 194) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0032258 k( 195) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0032258 k( 196) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0032258 k( 197) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0032258 k( 198) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0032258 k( 199) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0032258 k( 200) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0032258 k( 201) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0032258 k( 202) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0032258 k( 203) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0032258 k( 204) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0032258 k( 205) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0032258 k( 206) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0032258 k( 207) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0032258 k( 208) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0032258 k( 209) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0032258 k( 210) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0032258 k( 211) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0032258 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 k( 214) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0032258 k( 215) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0032258 k( 216) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0032258 k( 217) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0032258 k( 218) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0032258 k( 219) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0032258 k( 220) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0032258 k( 221) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0032258 k( 222) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0032258 k( 223) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0032258 k( 224) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0032258 k( 225) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0032258 k( 226) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0032258 k( 227) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0032258 k( 228) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0032258 k( 229) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0032258 k( 230) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0032258 k( 231) = ( 0.2108843 0.2108843 0.5000000), wk = 0.0032258 k( 232) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0032258 k( 233) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0032258 k( 234) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0032258 k( 235) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0032258 k( 236) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0032258 k( 237) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0032258 k( 238) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0032258 k( 239) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0032258 k( 240) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0032258 k( 241) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0032258 k( 242) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0032258 k( 243) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0032258 k( 244) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0032258 k( 245) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0032258 k( 246) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0032258 k( 247) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0032258 k( 248) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0032258 k( 249) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0032258 k( 250) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0032258 k( 251) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0032258 k( 252) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0032258 k( 253) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0032258 k( 254) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0032258 k( 255) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0032258 k( 256) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0032258 k( 257) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0032258 k( 258) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0032258 k( 259) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0032258 k( 260) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0032258 k( 261) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0032258 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 264) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0032258 k( 265) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0032258 k( 266) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0032258 k( 267) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0032258 k( 268) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0032258 k( 269) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0032258 k( 270) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0032258 k( 271) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0032258 k( 272) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0032258 k( 273) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0032258 k( 274) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0032258 k( 275) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0032258 k( 276) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0032258 k( 277) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0032258 k( 278) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0032258 k( 279) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0032258 k( 280) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0032258 k( 281) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0032258 k( 282) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0032258 k( 283) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0032258 k( 284) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0032258 k( 285) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0032258 k( 286) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 287) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 288) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0032258 k( 289) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0032258 k( 290) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0032258 k( 291) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0032258 k( 292) = ( 0.3333333 0.3333333 0.1086956), wk = 0.0032258 k( 293) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0032258 k( 294) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0032258 k( 295) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0032258 k( 296) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0032258 k( 297) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0032258 k( 298) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0032258 k( 299) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0032258 k( 300) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0032258 k( 301) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0032258 k( 302) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0032258 k( 303) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0032258 k( 304) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0032258 k( 305) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0032258 k( 306) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0032258 k( 307) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0032258 k( 308) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0032258 k( 309) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0032258 k( 310) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 Dense grid: 96633 G-vectors FFT dimensions: ( 54, 54, 81) Smooth grid: 46155 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 228, 40) NL pseudopotentials 0.10 Mb ( 114, 56) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2015) G-vector shells 0.01 Mb ( 1026) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 228, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.07 Mb ( 56, 2, 40) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./MgSe.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 38.6 secs Computing kpt #: 2 total cpu time spent up to now is 39.6 secs Computing kpt #: 3 total cpu time spent up to now is 40.7 secs Computing kpt #: 4 total cpu time spent up to now is 41.8 secs Computing kpt #: 5 total cpu time spent up to now is 42.9 secs Computing kpt #: 6 total cpu time spent up to now is 44.0 secs Computing kpt #: 7 total cpu time spent up to now is 45.1 secs Computing kpt #: 8 total cpu time spent up to now is 46.2 secs Computing kpt #: 9 total cpu time spent up to now is 47.4 secs Computing kpt #: 10 total cpu time spent up to now is 48.6 secs Computing kpt #: 11 total cpu time spent up to now is 50.0 secs Computing kpt #: 12 total cpu time spent up to now is 51.4 secs Computing kpt #: 13 total cpu time spent up to now is 52.8 secs Computing kpt #: 14 total cpu time spent up to now is 54.0 secs Computing kpt #: 15 total cpu time spent up to now is 55.1 secs Computing kpt #: 16 total cpu time spent up to now is 56.2 secs Computing kpt #: 17 total cpu time spent up to now is 57.2 secs Computing kpt #: 18 total cpu time spent up to now is 58.1 secs Computing kpt #: 19 total cpu time spent up to now is 59.1 secs Computing kpt #: 20 total cpu time spent up to now is 60.1 secs Computing kpt #: 21 total cpu time spent up to now is 61.1 secs Computing kpt #: 22 total cpu time spent up to now is 62.0 secs Computing kpt #: 23 total cpu time spent up to now is 63.0 secs Computing kpt #: 24 total cpu time spent up to now is 64.1 secs Computing kpt #: 25 total cpu time spent up to now is 65.3 secs Computing kpt #: 26 total cpu time spent up to now is 66.5 secs Computing kpt #: 27 total cpu time spent up to now is 67.6 secs Computing kpt #: 28 total cpu time spent up to now is 68.9 secs Computing kpt #: 29 total cpu time spent up to now is 70.2 secs Computing kpt #: 30 total cpu time spent up to now is 71.6 secs Computing kpt #: 31 total cpu time spent up to now is 72.7 secs Computing kpt #: 32 total cpu time spent up to now is 73.9 secs Computing kpt #: 33 total cpu time spent up to now is 74.9 secs Computing kpt #: 34 total cpu time spent up to now is 76.0 secs Computing kpt #: 35 total cpu time spent up to now is 77.0 secs Computing kpt #: 36 total cpu time spent up to now is 78.2 secs Computing kpt #: 37 total cpu time spent up to now is 79.3 secs Computing kpt #: 38 total cpu time spent up to now is 80.3 secs Computing kpt #: 39 total cpu time spent up to now is 81.3 secs Computing kpt #: 40 total cpu time spent up to now is 82.4 secs Computing kpt #: 41 total cpu time spent up to now is 83.4 secs Computing kpt #: 42 total cpu time spent up to now is 84.4 secs Computing kpt #: 43 total cpu time spent up to now is 85.4 secs Computing kpt #: 44 total cpu time spent up to now is 86.4 secs Computing kpt #: 45 total cpu time spent up to now is 87.4 secs Computing kpt #: 46 total cpu time spent up to now is 88.4 secs Computing kpt #: 47 total cpu time spent up to now is 89.5 secs Computing kpt #: 48 total cpu time spent up to now is 90.5 secs Computing kpt #: 49 total cpu time spent up to now is 91.6 secs Computing kpt #: 50 total cpu time spent up to now is 92.6 secs Computing kpt #: 51 total cpu time spent up to now is 93.6 secs Computing kpt #: 52 total cpu time spent up to now is 94.8 secs Computing kpt #: 53 total cpu time spent up to now is 95.9 secs Computing kpt #: 54 total cpu time spent up to now is 97.1 secs Computing kpt #: 55 total cpu time spent up to now is 98.2 secs Computing kpt #: 56 total cpu time spent up to now is 99.4 secs Computing kpt #: 57 total cpu time spent up to now is 100.5 secs Computing kpt #: 58 total cpu time spent up to now is 101.7 secs Computing kpt #: 59 total cpu time spent up to now is 102.9 secs Computing kpt #: 60 total cpu time spent up to now is 104.0 secs Computing kpt #: 61 total cpu time spent up to now is 105.2 secs Computing kpt #: 62 total cpu time spent up to now is 106.3 secs Computing kpt #: 63 total cpu time spent up to now is 107.5 secs Computing kpt #: 64 total cpu time spent up to now is 108.7 secs Computing kpt #: 65 total cpu time spent up to now is 109.8 secs Computing kpt #: 66 total cpu time spent up to now is 110.8 secs Computing kpt #: 67 total cpu time spent up to now is 111.9 secs Computing kpt #: 68 total cpu time spent up to now is 112.9 secs Computing kpt #: 69 total cpu time spent up to now is 113.9 secs Computing kpt #: 70 total cpu time spent up to now is 114.9 secs Computing kpt #: 71 total cpu time spent up to now is 115.9 secs Computing kpt #: 72 total cpu time spent up to now is 116.9 secs Computing kpt #: 73 total cpu time spent up to now is 117.9 secs Computing kpt #: 74 total cpu time spent up to now is 118.9 secs Computing kpt #: 75 total cpu time spent up to now is 120.0 secs Computing kpt #: 76 total cpu time spent up to now is 121.0 secs Computing kpt #: 77 total cpu time spent up to now is 122.0 secs Computing kpt #: 78 total cpu time spent up to now is 123.0 secs Computing kpt #: 79 total cpu time spent up to now is 124.1 secs Computing kpt #: 80 total cpu time spent up to now is 125.2 secs Computing kpt #: 81 total cpu time spent up to now is 126.3 secs Computing kpt #: 82 total cpu time spent up to now is 127.3 secs Computing kpt #: 83 total cpu time spent up to now is 128.3 secs Computing kpt #: 84 total cpu time spent up to now is 129.2 secs Computing kpt #: 85 total cpu time spent up to now is 130.2 secs Computing kpt #: 86 total cpu time spent up to now is 131.2 secs Computing kpt #: 87 total cpu time spent up to now is 132.3 secs Computing kpt #: 88 total cpu time spent up to now is 133.3 secs Computing kpt #: 89 total cpu time spent up to now is 134.2 secs Computing kpt #: 90 total cpu time spent up to now is 135.1 secs Computing kpt #: 91 total cpu time spent up to now is 136.0 secs Computing kpt #: 92 total cpu time spent up to now is 137.0 secs Computing kpt #: 93 total cpu time spent up to now is 137.9 secs Computing kpt #: 94 total cpu time spent up to now is 138.9 secs Computing kpt #: 95 total cpu time spent up to now is 139.8 secs Computing kpt #: 96 total cpu time spent up to now is 140.8 secs Computing kpt #: 97 total cpu time spent up to now is 141.7 secs Computing kpt #: 98 total cpu time spent up to now is 142.6 secs Computing kpt #: 99 total cpu time spent up to now is 143.7 secs Computing kpt #: 100 total cpu time spent up to now is 144.6 secs Computing kpt #: 101 total cpu time spent up to now is 145.6 secs Computing kpt #: 102 total cpu time spent up to now is 146.6 secs Computing kpt #: 103 total cpu time spent up to now is 147.6 secs Computing kpt #: 104 total cpu time spent up to now is 148.7 secs Computing kpt #: 105 total cpu time spent up to now is 149.8 secs Computing kpt #: 106 total cpu time spent up to now is 150.9 secs Computing kpt #: 107 total cpu time spent up to now is 152.0 secs Computing kpt #: 108 total cpu time spent up to now is 153.1 secs Computing kpt #: 109 total cpu time spent up to now is 154.2 secs Computing kpt #: 110 total cpu time spent up to now is 155.3 secs Computing kpt #: 111 total cpu time spent up to now is 156.5 secs Computing kpt #: 112 total cpu time spent up to now is 157.6 secs Computing kpt #: 113 total cpu time spent up to now is 158.6 secs Computing kpt #: 114 total cpu time spent up to now is 159.7 secs Computing kpt #: 115 total cpu time spent up to now is 160.7 secs Computing kpt #: 116 total cpu time spent up to now is 161.9 secs Computing kpt #: 117 total cpu time spent up to now is 162.9 secs Computing kpt #: 118 total cpu time spent up to now is 164.2 secs Computing kpt #: 119 total cpu time spent up to now is 165.2 secs Computing kpt #: 120 total cpu time spent up to now is 166.2 secs Computing kpt #: 121 total cpu time spent up to now is 167.3 secs Computing kpt #: 122 total cpu time spent up to now is 168.3 secs Computing kpt #: 123 total cpu time spent up to now is 169.3 secs Computing kpt #: 124 total cpu time spent up to now is 170.3 secs Computing kpt #: 125 total cpu time spent up to now is 171.4 secs Computing kpt #: 126 total cpu time spent up to now is 172.5 secs Computing kpt #: 127 total cpu time spent up to now is 173.6 secs Computing kpt #: 128 total cpu time spent up to now is 174.7 secs Computing kpt #: 129 total cpu time spent up to now is 175.9 secs Computing kpt #: 130 total cpu time spent up to now is 177.0 secs Computing kpt #: 131 total cpu time spent up to now is 178.2 secs Computing kpt #: 132 total cpu time spent up to now is 179.6 secs Computing kpt #: 133 total cpu time spent up to now is 181.0 secs Computing kpt #: 134 total cpu time spent up to now is 182.3 secs Computing kpt #: 135 total cpu time spent up to now is 183.7 secs Computing kpt #: 136 total cpu time spent up to now is 185.1 secs Computing kpt #: 137 total cpu time spent up to now is 186.6 secs Computing kpt #: 138 total cpu time spent up to now is 188.0 secs Computing kpt #: 139 total cpu time spent up to now is 189.5 secs Computing kpt #: 140 total cpu time spent up to now is 191.0 secs Computing kpt #: 141 total cpu time spent up to now is 192.6 secs Computing kpt #: 142 total cpu time spent up to now is 194.6 secs Computing kpt #: 143 total cpu time spent up to now is 195.7 secs Computing kpt #: 144 total cpu time spent up to now is 196.8 secs Computing kpt #: 145 total cpu time spent up to now is 198.0 secs Computing kpt #: 146 total cpu time spent up to now is 199.2 secs Computing kpt #: 147 total cpu time spent up to now is 200.3 secs Computing kpt #: 148 total cpu time spent up to now is 201.4 secs Computing kpt #: 149 total cpu time spent up to now is 202.4 secs Computing kpt #: 150 total cpu time spent up to now is 203.5 secs Computing kpt #: 151 total cpu time spent up to now is 204.4 secs Computing kpt #: 152 total cpu time spent up to now is 205.4 secs Computing kpt #: 153 total cpu time spent up to now is 206.3 secs Computing kpt #: 154 total cpu time spent up to now is 207.3 secs Computing kpt #: 155 total cpu time spent up to now is 208.2 secs Computing kpt #: 156 total cpu time spent up to now is 209.2 secs Computing kpt #: 157 total cpu time spent up to now is 210.2 secs Computing kpt #: 158 total cpu time spent up to now is 211.1 secs Computing kpt #: 159 total cpu time spent up to now is 212.0 secs Computing kpt #: 160 total cpu time spent up to now is 212.9 secs Computing kpt #: 161 total cpu time spent up to now is 213.8 secs Computing kpt #: 162 total cpu time spent up to now is 214.8 secs Computing kpt #: 163 total cpu time spent up to now is 215.8 secs Computing kpt #: 164 total cpu time spent up to now is 216.8 secs Computing kpt #: 165 total cpu time spent up to now is 217.7 secs Computing kpt #: 166 total cpu time spent up to now is 218.6 secs Computing kpt #: 167 total cpu time spent up to now is 219.4 secs Computing kpt #: 168 total cpu time spent up to now is 220.2 secs Computing kpt #: 169 total cpu time spent up to now is 221.1 secs Computing kpt #: 170 total cpu time spent up to now is 221.9 secs Computing kpt #: 171 total cpu time spent up to now is 222.7 secs Computing kpt #: 172 total cpu time spent up to now is 223.5 secs Computing kpt #: 173 total cpu time spent up to now is 224.3 secs Computing kpt #: 174 total cpu time spent up to now is 225.1 secs Computing kpt #: 175 total cpu time spent up to now is 225.8 secs Computing kpt #: 176 total cpu time spent up to now is 226.6 secs Computing kpt #: 177 total cpu time spent up to now is 227.4 secs Computing kpt #: 178 total cpu time spent up to now is 228.2 secs Computing kpt #: 179 total cpu time spent up to now is 229.0 secs Computing kpt #: 180 total cpu time spent up to now is 229.8 secs Computing kpt #: 181 total cpu time spent up to now is 230.6 secs Computing kpt #: 182 total cpu time spent up to now is 231.3 secs Computing kpt #: 183 total cpu time spent up to now is 232.1 secs Computing kpt #: 184 total cpu time spent up to now is 232.8 secs Computing kpt #: 185 total cpu time spent up to now is 233.7 secs Computing kpt #: 186 total cpu time spent up to now is 234.4 secs Computing kpt #: 187 total cpu time spent up to now is 235.2 secs Computing kpt #: 188 total cpu time spent up to now is 235.9 secs Computing kpt #: 189 total cpu time spent up to now is 236.7 secs Computing kpt #: 190 total cpu time spent up to now is 237.5 secs Computing kpt #: 191 total cpu time spent up to now is 238.2 secs Computing kpt #: 192 total cpu time spent up to now is 239.1 secs Computing kpt #: 193 total cpu time spent up to now is 239.9 secs Computing kpt #: 194 total cpu time spent up to now is 240.7 secs Computing kpt #: 195 total cpu time spent up to now is 241.4 secs Computing kpt #: 196 total cpu time spent up to now is 242.2 secs Computing kpt #: 197 total cpu time spent up to now is 242.9 secs Computing kpt #: 198 total cpu time spent up to now is 243.8 secs Computing kpt #: 199 total cpu time spent up to now is 244.8 secs Computing kpt #: 200 total cpu time spent up to now is 245.7 secs Computing kpt #: 201 total cpu time spent up to now is 246.6 secs Computing kpt #: 202 total cpu time spent up to now is 247.6 secs Computing kpt #: 203 total cpu time spent up to now is 248.5 secs Computing kpt #: 204 total cpu time spent up to now is 249.4 secs Computing kpt #: 205 total cpu time spent up to now is 250.4 secs Computing kpt #: 206 total cpu time spent up to now is 251.4 secs Computing kpt #: 207 total cpu time spent up to now is 252.3 secs Computing kpt #: 208 total cpu time spent up to now is 253.1 secs Computing kpt #: 209 total cpu time spent up to now is 254.0 secs Computing kpt #: 210 total cpu time spent up to now is 254.9 secs Computing kpt #: 211 total cpu time spent up to now is 255.8 secs Computing kpt #: 212 total cpu time spent up to now is 256.8 secs Computing kpt #: 213 total cpu time spent up to now is 257.9 secs Computing kpt #: 214 total cpu time spent up to now is 258.8 secs Computing kpt #: 215 total cpu time spent up to now is 259.8 secs Computing kpt #: 216 total cpu time spent up to now is 260.7 secs Computing kpt #: 217 total cpu time spent up to now is 261.6 secs Computing kpt #: 218 total cpu time spent up to now is 262.4 secs Computing kpt #: 219 total cpu time spent up to now is 263.4 secs Computing kpt #: 220 total cpu time spent up to now is 264.4 secs Computing kpt #: 221 total cpu time spent up to now is 265.4 secs Computing kpt #: 222 total cpu time spent up to now is 266.4 secs Computing kpt #: 223 total cpu time spent up to now is 267.3 secs Computing kpt #: 224 total cpu time spent up to now is 268.4 secs Computing kpt #: 225 total cpu time spent up to now is 269.5 secs Computing kpt #: 226 total cpu time spent up to now is 270.5 secs Computing kpt #: 227 total cpu time spent up to now is 271.6 secs Computing kpt #: 228 total cpu time spent up to now is 272.5 secs Computing kpt #: 229 total cpu time spent up to now is 273.5 secs Computing kpt #: 230 total cpu time spent up to now is 274.6 secs Computing kpt #: 231 total cpu time spent up to now is 275.9 secs Computing kpt #: 232 total cpu time spent up to now is 276.9 secs Computing kpt #: 233 total cpu time spent up to now is 277.9 secs Computing kpt #: 234 total cpu time spent up to now is 278.9 secs Computing kpt #: 235 total cpu time spent up to now is 279.8 secs Computing kpt #: 236 total cpu time spent up to now is 280.8 secs Computing kpt #: 237 total cpu time spent up to now is 281.9 secs Computing kpt #: 238 total cpu time spent up to now is 282.8 secs Computing kpt #: 239 total cpu time spent up to now is 283.8 secs Computing kpt #: 240 total cpu time spent up to now is 284.7 secs Computing kpt #: 241 total cpu time spent up to now is 285.6 secs Computing kpt #: 242 total cpu time spent up to now is 286.6 secs Computing kpt #: 243 total cpu time spent up to now is 287.7 secs Computing kpt #: 244 total cpu time spent up to now is 288.6 secs Computing kpt #: 245 total cpu time spent up to now is 289.5 secs Computing kpt #: 246 total cpu time spent up to now is 290.4 secs Computing kpt #: 247 total cpu time spent up to now is 291.3 secs Computing kpt #: 248 total cpu time spent up to now is 292.2 secs Computing kpt #: 249 total cpu time spent up to now is 293.2 secs Computing kpt #: 250 total cpu time spent up to now is 294.2 secs Computing kpt #: 251 total cpu time spent up to now is 295.1 secs Computing kpt #: 252 total cpu time spent up to now is 296.0 secs Computing kpt #: 253 total cpu time spent up to now is 297.0 secs Computing kpt #: 254 total cpu time spent up to now is 298.0 secs Computing kpt #: 255 total cpu time spent up to now is 299.0 secs Computing kpt #: 256 total cpu time spent up to now is 300.1 secs Computing kpt #: 257 total cpu time spent up to now is 301.1 secs Computing kpt #: 258 total cpu time spent up to now is 302.2 secs Computing kpt #: 259 total cpu time spent up to now is 303.3 secs Computing kpt #: 260 total cpu time spent up to now is 304.5 secs Computing kpt #: 261 total cpu time spent up to now is 305.8 secs Computing kpt #: 262 total cpu time spent up to now is 307.0 secs Computing kpt #: 263 total cpu time spent up to now is 307.7 secs Computing kpt #: 264 total cpu time spent up to now is 308.4 secs Computing kpt #: 265 total cpu time spent up to now is 309.2 secs Computing kpt #: 266 total cpu time spent up to now is 309.9 secs Computing kpt #: 267 total cpu time spent up to now is 310.7 secs Computing kpt #: 268 total cpu time spent up to now is 311.5 secs Computing kpt #: 269 total cpu time spent up to now is 312.3 secs Computing kpt #: 270 total cpu time spent up to now is 313.1 secs Computing kpt #: 271 total cpu time spent up to now is 313.8 secs Computing kpt #: 272 total cpu time spent up to now is 314.6 secs Computing kpt #: 273 total cpu time spent up to now is 315.3 secs Computing kpt #: 274 total cpu time spent up to now is 316.0 secs Computing kpt #: 275 total cpu time spent up to now is 316.8 secs Computing kpt #: 276 total cpu time spent up to now is 317.6 secs Computing kpt #: 277 total cpu time spent up to now is 318.5 secs Computing kpt #: 278 total cpu time spent up to now is 319.3 secs Computing kpt #: 279 total cpu time spent up to now is 320.3 secs Computing kpt #: 280 total cpu time spent up to now is 321.3 secs Computing kpt #: 281 total cpu time spent up to now is 322.4 secs Computing kpt #: 282 total cpu time spent up to now is 323.5 secs Computing kpt #: 283 total cpu time spent up to now is 324.6 secs Computing kpt #: 284 total cpu time spent up to now is 325.6 secs Computing kpt #: 285 total cpu time spent up to now is 326.6 secs Computing kpt #: 286 total cpu time spent up to now is 327.5 secs Computing kpt #: 287 total cpu time spent up to now is 328.7 secs Computing kpt #: 288 total cpu time spent up to now is 329.7 secs Computing kpt #: 289 total cpu time spent up to now is 330.7 secs Computing kpt #: 290 total cpu time spent up to now is 331.7 secs Computing kpt #: 291 total cpu time spent up to now is 332.7 secs Computing kpt #: 292 total cpu time spent up to now is 333.7 secs Computing kpt #: 293 total cpu time spent up to now is 334.7 secs Computing kpt #: 294 total cpu time spent up to now is 335.8 secs Computing kpt #: 295 total cpu time spent up to now is 336.9 secs Computing kpt #: 296 total cpu time spent up to now is 337.9 secs Computing kpt #: 297 total cpu time spent up to now is 338.9 secs Computing kpt #: 298 total cpu time spent up to now is 340.0 secs Computing kpt #: 299 total cpu time spent up to now is 341.0 secs Computing kpt #: 300 total cpu time spent up to now is 342.0 secs Computing kpt #: 301 total cpu time spent up to now is 343.1 secs Computing kpt #: 302 total cpu time spent up to now is 344.0 secs Computing kpt #: 303 total cpu time spent up to now is 345.0 secs Computing kpt #: 304 total cpu time spent up to now is 346.0 secs Computing kpt #: 305 total cpu time spent up to now is 347.1 secs Computing kpt #: 306 total cpu time spent up to now is 348.1 secs Computing kpt #: 307 total cpu time spent up to now is 349.1 secs Computing kpt #: 308 total cpu time spent up to now is 350.1 secs Computing kpt #: 309 total cpu time spent up to now is 351.1 secs Computing kpt #: 310 total cpu time spent up to now is 352.0 secs ethr = 3.13E-11, avg # of iterations = 28.4 total cpu time spent up to now is 352.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5755 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6944 -38.6935 -38.6935 -8.9270 -8.9270 -8.4112 -8.4112 -0.5196 -0.5196 1.9628 1.9628 2.1918 2.1918 2.2532 2.2532 2.6265 2.6265 2.6444 2.6444 4.9570 4.9570 6.2777 6.2777 9.2029 9.2029 9.2135 9.2135 k = 0.0119 0.0069-0.0000 ( 5753 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6944 -38.6935 -38.6935 -8.9264 -8.9264 -8.4110 -8.4109 -0.5194 -0.5178 1.9582 1.9617 2.1868 2.1869 2.2510 2.2540 2.6218 2.6225 2.6416 2.6447 4.9647 4.9652 6.2825 6.2848 9.2005 9.2005 9.2135 9.2135 k = 0.0238 0.0137-0.0000 ( 5749 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9821 -38.9821 -38.6947 -38.6947 -38.6944 -38.6944 -38.6944 -38.6944 -38.6935 -38.6935 -8.9249 -8.9249 -8.4102 -8.4102 -0.5174 -0.5141 1.9477 1.9549 2.1726 2.1735 2.2469 2.2523 2.6066 2.6104 2.6388 2.6424 4.9879 4.9889 6.2990 6.3034 9.1872 9.1873 9.2197 9.2197 k = 0.0357 0.0206-0.0000 ( 5735 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6944 -38.6944 -38.6944 -38.6943 -38.6935 -38.6935 -8.9223 -8.9223 -8.4090 -8.4089 -0.5134 -0.5084 1.9310 1.9420 2.1509 2.1531 2.2392 2.2466 2.5824 2.5901 2.6359 2.6388 5.0258 5.0272 6.3268 6.3333 9.1634 9.1636 9.2324 9.2324 k = 0.0476 0.0275-0.0000 ( 5743 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.9187 -8.9187 -8.4072 -8.4071 -0.5075 -0.5009 1.9073 1.9224 2.1234 2.1275 2.2264 2.2352 2.5523 2.5635 2.6322 2.6345 5.0771 5.0786 6.3652 6.3739 9.1309 9.1314 9.2504 9.2504 k = 0.0595 0.0344-0.0000 ( 5743 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.9140 -8.9140 -8.4049 -8.4048 -0.4998 -0.4914 1.8760 1.8952 2.0917 2.0978 2.2075 2.2168 2.5194 2.5332 2.6276 2.6293 5.1400 5.1416 6.4136 6.4241 9.0914 9.0922 9.2734 9.2734 k = 0.0714 0.0412-0.0000 ( 5739 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.9084 -8.9084 -8.4022 -8.4020 -0.4902 -0.4800 1.8366 1.8598 2.0568 2.0647 2.1816 2.1907 2.4871 2.5022 2.6220 2.6232 5.2129 5.2145 6.4707 6.4830 9.0465 9.0478 9.3011 9.3011 k = 0.0833 0.0481-0.0000 ( 5735 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.9017 -8.9017 -8.3990 -8.3988 -0.4788 -0.4667 1.7890 1.8155 2.0192 2.0280 2.1493 2.1572 2.4577 2.4727 2.6153 2.6161 5.2941 5.2954 6.5355 6.5494 8.9978 8.9998 9.3328 9.3328 k = 0.0952 0.0550-0.0000 ( 5733 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.8942 -8.8942 -8.3954 -8.3952 -0.4656 -0.4515 1.7335 1.7627 1.9782 1.9863 2.1120 2.1185 2.4323 2.4460 2.6076 2.6080 5.3819 5.3830 6.6064 6.6217 8.9470 8.9499 9.3682 9.3682 k = 0.1071 0.0619-0.0000 ( 5745 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.8856 -8.8856 -8.3914 -8.3912 -0.4507 -0.4345 1.6709 1.7021 1.9320 1.9379 2.0727 2.0783 2.4106 2.4223 2.5987 2.5988 5.4749 5.4756 6.6819 6.6985 8.8959 8.8998 9.4064 9.4065 k = 0.1190 0.0687-0.0000 ( 5753 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.8762 -8.8762 -8.3870 -8.3867 -0.4341 -0.4157 1.6023 1.6349 1.8793 1.8813 2.0343 2.0398 2.3917 2.4012 2.5886 2.5888 5.5719 5.5720 6.7603 6.7778 8.8464 8.8517 9.4467 9.4468 k = 0.1310 0.0756-0.0000 ( 5753 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6946 -38.6946 -38.6944 -38.6943 -38.6935 -38.6935 -8.8659 -8.8659 -8.3823 -8.3820 -0.4158 -0.3951 1.5288 1.5624 1.8170 1.8196 1.9984 2.0043 2.3747 2.3819 2.5774 2.5779 5.6711 5.6715 6.8394 6.8577 8.8004 8.8075 9.4877 9.4882 k = 0.1429 0.0825-0.0000 ( 5747 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6948 -38.6947 -38.6946 -38.6946 -38.6943 -38.6943 -38.6935 -38.6935 -8.8548 -8.8548 -8.3773 -8.3769 -0.3960 -0.3727 1.4513 1.4858 1.7468 1.7542 1.9651 1.9716 2.3587 2.3637 2.5651 2.5659 5.7717 5.7727 6.9171 6.9358 8.7601 8.7693 9.5023 9.5273 k = 0.1548 0.0894-0.0000 ( 5743 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6948 -38.6948 -38.6946 -38.6946 -38.6943 -38.6943 -38.6936 -38.6935 -8.8429 -8.8428 -8.3720 -8.3716 -0.3747 -0.3486 1.3708 1.4063 1.6726 1.6845 1.9340 1.9408 2.3431 2.3461 2.5519 2.5529 5.8729 5.8746 6.9909 7.0096 8.7273 8.7395 9.4068 9.4387 k = 0.1667 0.0962-0.0000 ( 5745 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6948 -38.6948 -38.6946 -38.6946 -38.6943 -38.6943 -38.6936 -38.6935 -8.8302 -8.8302 -8.3664 -8.3661 -0.3521 -0.3229 1.2883 1.3247 1.5958 1.6120 1.9043 1.9114 2.3274 2.3286 2.5377 2.5390 5.9739 5.9762 7.0579 7.0763 8.7039 8.7201 9.3067 9.3397 k = 0.1786 0.1031-0.0000 ( 5743 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9823 -38.9822 -38.6948 -38.6948 -38.6946 -38.6946 -38.6943 -38.6942 -38.6936 -38.6936 -8.8168 -8.8167 -8.3607 -8.3603 -0.3281 -0.2957 1.2045 1.2420 1.5177 1.5380 1.8757 1.8829 2.3108 2.3114 2.5226 2.5241 6.0738 6.0767 7.1158 7.1333 8.6912 8.7126 9.2066 9.2414 k = 0.1905 0.1100-0.0000 ( 5751 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9826 -38.9823 -38.9822 -38.6948 -38.6948 -38.6946 -38.6946 -38.6943 -38.6943 -38.6936 -38.6936 -8.8027 -8.8027 -8.3549 -8.3544 -0.3031 -0.2669 1.1201 1.1590 1.4392 1.4634 1.8478 1.8551 2.2925 2.2948 2.5068 2.5083 6.1718 6.1753 7.1621 7.1783 8.6887 8.7170 9.1093 9.1472 k = 0.2024 0.1168-0.0000 ( 5755 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6948 -38.6946 -38.6946 -38.6944 -38.6943 -38.6936 -38.6936 -8.7880 -8.7880 -8.3489 -8.3485 -0.2770 -0.2367 1.0358 1.0762 1.3607 1.3890 1.8206 1.8279 2.2735 2.2774 2.4902 2.4918 6.2673 6.2712 7.1955 7.2100 8.6924 8.7292 9.0209 9.0627 k = 0.2143 0.1237-0.0000 ( 5753 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6949 -38.6946 -38.6946 -38.6944 -38.6943 -38.6936 -38.6936 -8.7728 -8.7728 -8.3430 -8.3425 -0.2503 -0.2053 0.9521 0.9944 1.2829 1.3152 1.7938 1.8012 2.2537 2.2592 2.4730 2.4746 6.3594 6.3637 7.2154 7.2280 8.6909 8.7331 8.9572 8.9998 k = 0.2262 0.1306-0.0000 ( 5745 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6949 -38.6947 -38.6947 -38.6943 -38.6942 -38.6936 -38.6936 -8.7571 -8.7570 -8.3370 -8.3365 -0.2230 -0.1727 0.8697 0.9142 1.2062 1.2426 1.7677 1.7750 2.2329 2.2399 2.4553 2.4568 6.4475 6.4520 7.2226 7.2331 8.6653 8.6992 8.9466 8.9759 k = 0.2381 0.1375-0.0000 ( 5741 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6949 -38.6947 -38.6947 -38.6943 -38.6942 -38.6936 -38.6936 -8.7409 -8.7409 -8.3311 -8.3306 -0.1956 -0.1392 0.7892 0.8361 1.1309 1.1717 1.7420 1.7494 2.2110 2.2195 2.4372 2.4387 6.5308 6.5355 7.2188 7.2272 8.6092 8.6288 8.9849 8.9947 k = 0.2500 0.1443-0.0000 ( 5741 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6949 -38.6947 -38.6947 -38.6943 -38.6942 -38.6936 -38.6936 -8.7244 -8.7244 -8.3253 -8.3248 -0.1684 -0.1051 0.7109 0.7608 1.0573 1.1029 1.7170 1.7244 2.1879 2.1979 2.4189 2.4202 6.6089 6.6133 7.2060 7.2123 8.5352 8.5451 9.0403 9.0453 k = 0.2619 0.1512-0.0000 ( 5749 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9823 -38.6949 -38.6949 -38.6947 -38.6947 -38.6943 -38.6942 -38.6936 -38.6936 -8.7076 -8.7076 -8.3197 -8.3191 -0.1421 -0.0708 0.6357 0.6890 0.9856 1.0366 1.6926 1.7000 2.1636 2.1750 2.4006 2.4017 6.6809 6.6847 7.1865 7.1907 8.4545 8.4586 9.0976 9.1130 k = 0.2738 0.1581-0.0000 ( 5751 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9823 -38.6949 -38.6949 -38.6947 -38.6947 -38.6943 -38.6942 -38.6937 -38.6936 -8.6906 -8.6905 -8.3143 -8.3137 -0.1173 -0.0369 0.5644 0.6213 0.9161 0.9732 1.6689 1.6764 2.1379 2.1507 2.3823 2.3833 6.7461 6.7489 7.1628 7.1648 8.3727 8.3731 9.1579 9.1806 k = 0.2857 0.1650-0.0000 ( 5751 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9824 -38.6950 -38.6949 -38.6948 -38.6948 -38.6943 -38.6942 -38.6937 -38.6937 -8.6734 -8.6733 -8.3091 -8.3086 -0.0950 -0.0045 0.4981 0.5586 0.8491 0.9132 1.6460 1.6536 2.1108 2.1250 2.3644 2.3651 6.8037 6.8047 7.1367 7.1373 8.2903 8.2924 9.2166 9.2440 k = 0.2976 0.1718-0.0000 ( 5757 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9824 -38.6950 -38.6949 -38.6948 -38.6948 -38.6943 -38.6942 -38.6937 -38.6937 -8.6562 -8.6561 -8.3043 -8.3038 -0.0764 0.0246 0.4387 0.5019 0.7848 0.8571 1.6240 1.6316 2.0823 2.0978 2.3469 2.3473 6.8505 6.8522 7.1090 7.1127 8.2111 8.2149 9.2720 9.3018 k = 0.3095 0.1787-0.0000 ( 5753 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9824 -38.6950 -38.6949 -38.6948 -38.6948 -38.6943 -38.6942 -38.6937 -38.6937 -8.6389 -8.6389 -8.2998 -8.2993 -0.0630 0.0474 0.3894 0.4523 0.7233 0.8058 1.6028 1.6106 2.0524 2.0691 2.3299 2.3301 6.8838 6.8891 7.0852 7.0929 8.1359 8.1410 9.3244 9.3547 k = 0.3214 0.1856-0.0000 ( 5753 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9824 -38.6950 -38.6949 -38.6948 -38.6948 -38.6943 -38.6942 -38.6937 -38.6937 -8.6218 -8.6217 -8.2958 -8.2953 -0.0564 0.0588 0.3549 0.4105 0.6650 0.7599 1.5827 1.5905 2.0213 2.0390 2.3136 2.3136 6.9009 6.9102 7.0705 7.0821 8.0652 8.0713 9.3749 9.4042 k = 0.3333 0.1925-0.0000 ( 5757 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9824 -38.6950 -38.6950 -38.6949 -38.6949 -38.6943 -38.6942 -38.6938 -38.6937 -8.6049 -8.6048 -8.2922 -8.2916 -0.0575 0.0542 0.3400 0.3770 0.6102 0.7205 1.5636 1.5716 1.9890 2.0077 2.2979 2.2980 6.9005 6.9119 7.0691 7.0825 7.9992 8.0061 9.4247 9.4507 k = 0.3452 0.1993-0.0000 ( 5767 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9824 -38.6950 -38.6950 -38.6949 -38.6949 -38.6943 -38.6942 -38.6938 -38.6937 -8.5883 -8.5882 -8.2890 -8.2885 -0.0669 0.0334 0.3441 0.3508 0.5597 0.6887 1.5456 1.5537 1.9557 1.9751 2.2830 2.2833 6.8869 6.8980 7.0783 7.0910 7.9381 7.9457 9.4510 9.4516 k = 0.3571 0.2062-0.0000 ( 5763 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9825 -38.6950 -38.6950 -38.6949 -38.6949 -38.6943 -38.6942 -38.6938 -38.6937 -8.5720 -8.5719 -8.2864 -8.2859 -0.0833 0.0017 0.3301 0.3603 0.5150 0.6657 1.5288 1.5371 1.9215 1.9416 2.2692 2.2696 6.8662 6.8760 7.0913 7.1021 7.8823 7.8903 9.4289 9.4290 k = 0.3690 0.2131-0.0000 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9825 -38.6950 -38.6950 -38.6949 -38.6949 -38.6942 -38.6941 -38.6938 -38.6937 -8.5563 -8.5562 -8.2843 -8.2838 -0.1051 -0.0350 0.3122 0.3774 0.4816 0.6521 1.5133 1.5217 1.8869 1.9073 2.2563 2.2568 6.8426 6.8510 7.1036 7.1124 7.8316 7.8399 9.4068 9.4068 k = 0.3810 0.2199-0.0000 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9825 -38.6951 -38.6950 -38.6950 -38.6949 -38.6942 -38.6941 -38.6938 -38.6938 -8.5412 -8.5411 -8.2826 -8.2821 -0.1301 -0.0729 0.2951 0.3768 0.4740 0.6477 1.4990 1.5075 1.8521 1.8726 2.2445 2.2450 6.8185 6.8258 7.1135 7.1206 7.7863 7.7947 9.3860 9.3860 k = 0.3929 0.2268-0.0000 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9825 -38.6951 -38.6950 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.5268 -8.5267 -8.2815 -8.2810 -0.1562 -0.1097 0.2777 0.3538 0.4947 0.6513 1.4862 1.4947 1.8176 1.8378 2.2337 2.2342 6.7952 6.8014 7.1206 7.1261 7.7462 7.7545 9.3668 9.3669 k = 0.4048 0.2337-0.0000 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9825 -38.6951 -38.6950 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.5133 -8.5132 -8.2808 -8.2804 -0.1820 -0.1442 0.2601 0.3243 0.5263 0.6612 1.4747 1.4833 1.7837 1.8034 2.2240 2.2246 6.7734 6.7788 7.1249 7.1291 7.7113 7.7193 9.3494 9.3495 k = 0.4167 0.2406-0.0000 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9825 -38.6951 -38.6950 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.5008 -8.5007 -8.2806 -8.2802 -0.2064 -0.1757 0.2429 0.2954 0.5608 0.6750 1.4648 1.4732 1.7511 1.7699 2.2155 2.2160 6.7536 6.7581 7.1270 7.1300 7.6814 7.6890 9.3339 9.3339 k = 0.4286 0.2474-0.0000 ( 5782 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6938 -38.6938 -8.4894 -8.4893 -8.2807 -8.2803 -0.2284 -0.2038 0.2268 0.2689 0.5952 0.6908 1.4564 1.4645 1.7205 1.7380 2.2080 2.2085 6.7361 6.7398 7.1271 7.1293 7.6564 7.6633 9.3202 9.3202 k = 0.4405 0.2543-0.0000 ( 5770 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9825 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.4794 -8.4793 -8.2811 -8.2807 -0.2476 -0.2281 0.2126 0.2457 0.6282 0.7066 1.4497 1.4573 1.6926 1.7082 2.2017 2.2021 6.7210 6.7241 7.1261 7.1276 7.6359 7.6420 9.3086 9.3086 k = 0.4524 0.2612-0.0000 ( 5762 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9825 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.4709 -8.4707 -8.2816 -8.2813 -0.2634 -0.2485 0.2007 0.2260 0.6584 0.7208 1.4446 1.4514 1.6683 1.6816 2.1966 2.1969 6.7086 6.7111 7.1243 7.1253 7.6198 7.6248 9.2990 9.2990 k = 0.4643 0.2681-0.0000 ( 5762 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9825 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.4640 -8.4639 -8.2822 -8.2820 -0.2757 -0.2649 0.1917 0.2100 0.6850 0.7317 1.4411 1.4467 1.6485 1.6589 2.1926 2.1928 6.6989 6.7007 7.1224 7.1230 7.6077 7.6116 9.2915 9.2915 k = 0.4762 0.2749-0.0000 ( 5756 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9825 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.4589 -8.4588 -8.2827 -8.2825 -0.2841 -0.2771 0.1859 0.1978 0.7071 0.7383 1.4391 1.4432 1.6340 1.6412 2.1897 2.1899 6.6921 6.6933 7.1207 7.1211 7.5994 7.6021 9.2861 9.2861 k = 0.4881 0.2818-0.0000 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.4558 -8.4558 -8.2830 -8.2830 -0.2885 -0.2851 0.1834 0.1893 0.7238 0.7394 1.4385 1.4406 1.6257 1.6293 2.1880 2.1881 6.6880 6.6886 7.1196 7.1198 7.5948 7.5961 9.2829 9.2829 k = 0.5000 0.2887-0.0000 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6938 -38.6938 -8.4547 -8.4547 -8.2831 -8.2831 -0.2889 -0.2889 0.1845 0.1845 0.7347 0.7347 1.4391 1.4391 1.6241 1.6241 2.1875 2.1875 6.6869 6.6869 7.1193 7.1193 7.5937 7.5937 9.2818 9.2818 k = 0.5000 0.2887-0.0000 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6938 -38.6938 -8.4547 -8.4547 -8.2831 -8.2831 -0.2889 -0.2889 0.1845 0.1845 0.7347 0.7347 1.4391 1.4391 1.6241 1.6241 2.1875 2.1875 6.6869 6.6869 7.1193 7.1193 7.5937 7.5937 9.2818 9.2818 k = 0.4933 0.3002-0.0000 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.4545 -8.4545 -8.2831 -8.2831 -0.2880 -0.2878 0.1848 0.1853 0.7331 0.7376 1.4328 1.4386 1.6234 1.6236 2.1836 2.1844 6.6929 6.6947 7.1230 7.1256 7.5918 7.5936 9.2802 9.2833 k = 0.4867 0.3118-0.0000 ( 5756 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.4537 -8.4536 -8.2832 -8.2831 -0.2852 -0.2846 0.1862 0.1872 0.7327 0.7419 1.4197 1.4314 1.6215 1.6219 2.1729 2.1746 6.7128 6.7163 7.1363 7.1417 7.5878 7.5916 9.2785 9.2847 k = 0.4800 0.3233-0.0000 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.4523 -8.4523 -8.2832 -8.2831 -0.2804 -0.2795 0.1887 0.1902 0.7335 0.7475 1.3999 1.4178 1.6184 1.6189 2.1556 2.1582 6.7462 6.7515 7.1581 7.1668 7.5824 7.5888 9.2770 9.2860 k = 0.4733 0.3349-0.0000 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6938 -8.4504 -8.4503 -8.2833 -8.2832 -0.2736 -0.2725 0.1922 0.1942 0.7353 0.7546 1.3738 1.3983 1.6142 1.6147 2.1321 2.1356 6.7928 6.7998 7.1866 7.1992 7.5771 7.5869 9.2760 9.2876 k = 0.4667 0.3464-0.0000 ( 5760 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6938 -38.6938 -8.4479 -8.4479 -8.2834 -8.2833 -0.2649 -0.2634 0.1967 0.1992 0.7379 0.7631 1.3419 1.3735 1.6087 1.6092 2.1029 2.1075 6.8521 6.8607 7.2186 7.2358 7.5745 7.5887 9.2760 9.2897 k = 0.4600 0.3580-0.0000 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4450 -8.4449 -8.2835 -8.2834 -0.2542 -0.2524 0.2021 0.2052 0.7411 0.7731 1.3047 1.3442 1.6020 1.6023 2.0685 2.0744 6.9235 6.9336 7.2490 7.2714 7.5794 7.5987 9.2770 9.2925 k = 0.4533 0.3695-0.0000 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4415 -8.4415 -8.2837 -8.2836 -0.2416 -0.2395 0.2083 0.2121 0.7446 0.7844 1.2628 1.3112 1.5939 1.5939 2.0297 2.0372 7.0062 7.0179 7.2720 7.2986 7.5987 7.6226 9.2797 9.2965 k = 0.4467 0.3811-0.0000 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4376 -8.4375 -8.2840 -8.2838 -0.2271 -0.2246 0.2153 0.2198 0.7478 0.7971 1.2170 1.2758 1.5840 1.5845 1.9872 1.9965 7.0996 7.1127 7.2826 7.3109 7.6386 7.6647 9.2844 9.3020 k = 0.4400 0.3926-0.0000 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4332 -8.4331 -8.2844 -8.2842 -0.2108 -0.2078 0.2230 0.2281 0.7502 0.8110 1.1678 1.2391 1.5724 1.5735 1.9420 1.9533 7.2026 7.2172 7.2804 7.3077 7.6990 7.7250 9.2913 9.3092 k = 0.4333 0.4041-0.0000 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4284 -8.4283 -8.2849 -8.2847 -0.1926 -0.1891 0.2311 0.2370 0.7507 0.8260 1.1163 1.2029 1.5589 1.5610 1.8947 1.9084 7.2677 7.2927 7.3146 7.3307 7.7755 7.8005 9.3007 9.3185 k = 0.4267 0.4157-0.0000 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4232 -8.4231 -8.2856 -8.2854 -0.1725 -0.1685 0.2397 0.2463 0.7483 0.8415 1.0635 1.1688 1.5436 1.5467 1.8462 1.8628 7.2480 7.2705 7.4344 7.4520 7.8633 7.8874 9.3129 9.3299 k = 0.4200 0.4272-0.0000 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4177 -8.4175 -8.2865 -8.2862 -0.1508 -0.1461 0.2483 0.2558 0.7415 0.8566 1.0110 1.1388 1.5262 1.5306 1.7975 1.8172 7.2238 7.2438 7.5612 7.5804 7.9587 7.9824 9.3279 9.3437 k = 0.4133 0.4388-0.0000 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9826 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4117 -8.4116 -8.2875 -8.2873 -0.1273 -0.1219 0.2570 0.2654 0.7289 0.8664 0.9642 1.1150 1.5067 1.5124 1.7495 1.7725 7.1969 7.2147 7.6940 7.7148 8.0592 8.0830 9.3458 9.3599 k = 0.4067 0.4503-0.0000 ( 5780 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9826 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4055 -8.4054 -8.2889 -8.2886 -0.1022 -0.0959 0.2654 0.2748 0.7095 0.8544 0.9402 1.0988 1.4852 1.4922 1.7028 1.7293 7.1688 7.1846 7.8315 7.8542 8.1625 8.1871 9.3667 9.3785 k = 0.4000 0.4619-0.0000 ( 5780 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.3991 -8.3989 -8.2905 -8.2902 -0.0755 -0.0682 0.2734 0.2836 0.6835 0.8130 0.9470 1.0907 1.4620 1.4698 1.6584 1.6882 7.1405 7.1543 7.9725 7.9973 8.2670 8.2928 9.3904 9.3993 k = 0.3933 0.4734-0.0000 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6951 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.3924 -8.3922 -8.2924 -8.2922 -0.0474 -0.0388 0.2806 0.2917 0.6516 0.7616 0.9657 1.0901 1.4376 1.4454 1.6167 1.6494 7.1128 7.1248 8.1153 8.1427 8.3710 8.3984 9.4168 9.4220 k = 0.3867 0.4850-0.0000 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6951 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.3855 -8.3853 -8.2947 -8.2944 -0.0181 -0.0077 0.2868 0.2987 0.6155 0.7085 0.9884 1.0959 1.4128 1.4193 1.5783 1.6127 7.0863 7.0967 8.2581 8.2887 8.4730 8.5024 9.4447 9.4452 k = 0.3800 0.4965-0.0000 ( 5792 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6951 -38.6950 -38.6942 -38.6941 -38.6940 -38.6940 -8.3785 -8.3783 -8.2974 -8.2971 0.0123 0.0249 0.2920 0.3043 0.5767 0.6558 1.0132 1.1067 1.3885 1.3922 1.5430 1.5782 7.0617 7.0705 8.3980 8.4331 8.5721 8.6032 9.4646 9.4704 k = 0.3733 0.5081-0.0000 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6951 -38.6950 -38.6942 -38.6941 -38.6940 -38.6940 -8.3714 -8.3712 -8.3005 -8.3002 0.0433 0.0590 0.2960 0.3081 0.5368 0.6046 1.0395 1.1212 1.3649 1.3660 1.5109 1.5453 7.0393 7.0467 8.5311 8.5729 8.6683 8.6999 9.4635 9.4747 k = 0.3667 0.5196-0.0000 ( 5794 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6951 -38.6951 -38.6942 -38.6941 -38.6940 -38.6940 -8.3643 -8.3641 -8.3040 -8.3037 0.0744 0.0944 0.2991 0.3099 0.4969 0.5557 1.0667 1.1382 1.3380 1.3462 1.4818 1.5140 7.0197 7.0257 8.6507 8.7029 8.7632 8.7929 9.4281 9.4392 k = 0.3600 0.5312-0.0000 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6951 -38.6950 -38.6942 -38.6941 -38.6940 -38.6940 -8.3572 -8.3569 -8.3080 -8.3077 0.1045 0.1309 0.3018 0.3094 0.4582 0.5095 1.0947 1.1566 1.3120 1.3302 1.4561 1.4843 7.0032 7.0078 8.7492 8.8143 8.8591 8.8855 9.3776 9.3903 k = 0.3533 0.5427-0.0000 ( 5782 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3501 -8.3498 -8.3126 -8.3123 0.1320 0.1682 0.3054 0.3065 0.4216 0.4668 1.1231 1.1750 1.2867 1.3187 1.4344 1.4565 6.9901 6.9935 8.8240 8.8993 8.9521 8.9787 9.3241 9.3403 k = 0.3467 0.5543-0.0000 ( 5780 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3431 -8.3428 -8.3176 -8.3173 0.1542 0.2050 0.3018 0.3116 0.3888 0.4281 1.1516 1.1916 1.2616 1.3119 1.4178 1.4320 6.9807 6.9828 8.8777 8.9617 9.0314 9.0595 9.2745 9.2946 k = 0.3400 0.5658-0.0000 ( 5776 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3362 -8.3359 -8.3233 -8.3230 0.1680 0.2373 0.2987 0.3184 0.3651 0.3947 1.1798 1.2043 1.2356 1.3092 1.4077 1.4135 6.9751 6.9761 8.9114 9.0050 9.0860 9.1070 9.2420 9.2597 k = 0.3333 0.5774-0.0000 ( 5784 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3300 -8.3293 -8.3292 -8.3292 0.1724 0.2510 0.3091 0.3091 0.3690 0.3690 1.2048 1.2103 1.2103 1.3086 1.4053 1.4053 6.9735 6.9735 8.9232 9.0232 9.1092 9.1092 9.2420 9.2420 k = 0.3333 0.5774-0.0000 ( 5784 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3300 -8.3293 -8.3292 -8.3292 0.1724 0.2510 0.3091 0.3091 0.3690 0.3690 1.2048 1.2103 1.2103 1.3086 1.4053 1.4053 6.9735 6.9735 8.9232 9.0232 9.1092 9.1092 9.2420 9.2420 k = 0.3265 0.5656-0.0000 ( 5772 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3366 -8.3363 -8.3230 -8.3227 0.1688 0.2424 0.2868 0.3211 0.3670 0.3966 1.1770 1.2065 1.2350 1.3097 1.4108 1.4112 6.9752 6.9762 8.9110 9.0012 9.1048 9.1094 9.2344 9.2495 k = 0.3197 0.5538-0.0000 ( 5778 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3443 -8.3440 -8.3167 -8.3164 0.1602 0.2262 0.2637 0.3087 0.4006 0.4334 1.1442 1.1912 1.2615 1.3155 1.4251 1.4282 6.9815 6.9834 8.8778 8.9511 9.1016 9.1059 9.2206 9.2420 k = 0.3129 0.5420-0.0000 ( 5784 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6951 -38.6950 -38.6942 -38.6941 -38.6940 -38.6940 -8.3526 -8.3523 -8.3108 -8.3104 0.1493 0.2083 0.2422 0.2928 0.4433 0.4748 1.1096 1.1668 1.2877 1.3273 1.4459 1.4536 6.9923 6.9950 8.8309 8.8917 9.0897 9.1012 9.1936 9.2162 k = 0.3061 0.5302-0.0000 ( 5780 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.3617 -8.3614 -8.3053 -8.3049 0.1381 0.1915 0.2226 0.2779 0.4884 0.5193 1.0737 1.1367 1.3142 1.3443 1.4723 1.4838 7.0079 7.0113 8.7762 8.8291 9.0726 9.0873 9.1533 9.1754 k = 0.2993 0.5184-0.0000 ( 5784 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.3714 -8.3711 -8.3001 -8.2997 0.1278 0.1769 0.2049 0.2646 0.5343 0.5659 1.0371 1.1033 1.3416 1.3655 1.5029 1.5171 7.0281 7.0322 8.7171 8.7651 9.0492 9.0625 9.1022 9.1247 k = 0.2925 0.5067-0.0000 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.3818 -8.3815 -8.2954 -8.2950 0.1192 0.1655 0.1893 0.2530 0.5798 0.6140 1.0007 1.0680 1.3702 1.3902 1.5366 1.5525 7.0530 7.0578 8.6554 8.7003 9.0179 9.0226 9.0444 9.0727 k = 0.2857 0.4949-0.0000 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.3929 -8.3926 -8.2912 -8.2908 0.1128 0.1576 0.1760 0.2431 0.6237 0.6632 0.9661 1.0318 1.4004 1.4176 1.5726 1.5894 7.0826 7.0878 8.5919 8.6350 8.9642 8.9681 8.9936 9.0270 k = 0.2789 0.4831-0.0000 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.4047 -8.4044 -8.2875 -8.2871 0.1084 0.1534 0.1658 0.2353 0.6633 0.7130 0.9358 0.9956 1.4320 1.4473 1.6102 1.6274 7.1168 7.1224 8.5269 8.5688 8.8949 8.9010 8.9519 8.9838 k = 0.2721 0.4713-0.0000 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.4171 -8.4169 -8.2844 -8.2839 0.1054 0.1532 0.1594 0.2297 0.6934 0.7626 0.9154 0.9605 1.4650 1.4791 1.6489 1.6663 7.1555 7.1615 8.4602 8.5012 8.8221 8.8301 8.9083 8.9389 k = 0.2653 0.4595-0.0000 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6941 -38.6940 -38.6939 -8.4302 -8.4300 -8.2818 -8.2813 0.1028 0.1569 0.1580 0.2265 0.7061 0.8095 0.9129 0.9293 1.4992 1.5124 1.6885 1.7057 7.1988 7.2050 8.3913 8.4317 8.7495 8.7594 8.8619 8.8917 k = 0.2585 0.4477-0.0000 ( 5784 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9826 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4439 -8.4437 -8.2798 -8.2793 0.0998 0.1627 0.1644 0.2257 0.6980 0.8412 0.9150 0.9321 1.5345 1.5471 1.7287 1.7456 7.2464 7.2527 8.3198 8.3592 8.6795 8.6907 8.8130 8.8423 k = 0.2517 0.4360-0.0000 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6939 -8.4582 -8.4580 -8.2784 -8.2778 0.0960 0.1733 0.1753 0.2278 0.6753 0.8328 0.9426 0.9671 1.5707 1.5828 1.7693 1.7857 7.2983 7.3046 8.2451 8.2832 8.6140 8.6257 8.7621 8.7910 k = 0.2449 0.4242-0.0000 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6941 -38.6939 -38.6938 -8.4730 -8.4728 -8.2775 -8.2770 0.0917 0.1884 0.1896 0.2333 0.6460 0.8073 0.9897 1.0106 1.6075 1.6192 1.8100 1.8258 7.3543 7.3606 8.1669 8.2031 8.5543 8.5656 8.7095 8.7382 k = 0.2381 0.4124-0.0000 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9826 -38.9825 -38.6951 -38.6951 -38.6950 -38.6950 -38.6943 -38.6941 -38.6939 -38.6938 -8.4883 -8.4882 -8.2773 -8.2768 0.0871 0.2013 0.2109 0.2441 0.6153 0.7809 1.0409 1.0582 1.6448 1.6563 1.8507 1.8659 7.4144 7.4203 8.0850 8.1189 8.5009 8.5110 8.6556 8.6841 k = 0.2313 0.4006-0.0000 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9826 -38.9825 -38.6951 -38.6951 -38.6950 -38.6950 -38.6943 -38.6942 -38.6939 -38.6938 -8.5042 -8.5040 -8.2776 -8.2771 0.0818 0.2106 0.2371 0.2625 0.5863 0.7569 1.0931 1.1079 1.6824 1.6936 1.8913 1.9058 7.4783 7.4837 7.9996 8.0310 8.4540 8.4623 8.6006 8.6289 k = 0.2245 0.3888-0.0000 ( 5782 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9826 -38.9825 -38.6951 -38.6951 -38.6950 -38.6950 -38.6943 -38.6942 -38.6938 -38.6938 -8.5204 -8.5202 -8.2786 -8.2780 0.0754 0.2144 0.2678 0.2886 0.5618 0.7369 1.1457 1.1586 1.7201 1.7312 1.9316 1.9455 7.5460 7.5506 7.9110 7.9400 8.4134 8.4192 8.5449 8.5728 k = 0.2177 0.3770-0.0000 ( 5782 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9826 -38.9825 -38.6951 -38.6951 -38.6949 -38.6949 -38.6943 -38.6942 -38.6938 -38.6938 -8.5370 -8.5368 -8.2801 -8.2795 0.0676 0.2122 0.3028 0.3209 0.5445 0.7220 1.1981 1.2098 1.7577 1.7686 1.9716 1.9847 7.6171 7.6202 7.8198 7.8467 8.3788 8.3812 8.4891 8.5160 k = 0.2109 0.3653-0.0000 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9825 -38.9825 -38.6951 -38.6951 -38.6949 -38.6949 -38.6943 -38.6942 -38.6938 -38.6938 -8.5539 -8.5537 -8.2821 -8.2816 0.0576 0.2033 0.3422 0.3583 0.5367 0.7130 1.2502 1.2611 1.7951 1.8059 2.0110 2.0234 7.6897 7.6912 7.7264 7.7542 8.3473 8.3499 8.4342 8.4588 k = 0.2041 0.3535-0.0000 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9825 -38.6951 -38.6950 -38.6949 -38.6949 -38.6943 -38.6942 -38.6938 -38.6937 -8.5711 -8.5709 -8.2847 -8.2841 0.0451 0.1870 0.3857 0.4002 0.5395 0.7105 1.3017 1.3120 1.8322 1.8428 2.0498 2.0615 7.6305 7.6496 7.7687 7.7717 8.3141 8.3263 8.3834 8.4017 k = 0.1973 0.3417-0.0000 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9825 -38.6951 -38.6950 -38.6949 -38.6949 -38.6943 -38.6942 -38.6938 -38.6937 -8.5884 -8.5883 -8.2878 -8.2872 0.0297 0.1641 0.4332 0.4465 0.5528 0.7151 1.3526 1.3624 1.8687 1.8792 2.0879 2.0988 7.5335 7.5519 7.8461 7.8479 8.2749 8.3073 8.3438 8.3463 k = 0.1905 0.3299-0.0000 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9825 -38.9824 -38.6950 -38.6950 -38.6949 -38.6949 -38.6943 -38.6942 -38.6938 -38.6937 -8.6060 -8.6059 -8.2913 -8.2908 0.0115 0.1359 0.4846 0.4967 0.5753 0.7267 1.4026 1.4122 1.9047 1.9149 2.1252 2.1353 7.4351 7.4521 7.9193 7.9272 8.2270 8.2848 8.3032 8.3196 k = 0.1837 0.3181-0.0000 ( 5752 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9824 -38.6950 -38.6950 -38.6948 -38.6948 -38.6943 -38.6942 -38.6937 -38.6937 -8.6236 -8.6235 -8.2953 -8.2948 -0.0094 0.1039 0.5398 0.5508 0.6057 0.7454 1.4516 1.4611 1.9399 1.9499 2.1616 2.1710 7.3355 7.3511 7.9822 7.9997 8.1809 8.2481 8.2911 8.3069 k = 0.1769 0.3063-0.0000 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9824 -38.6950 -38.6950 -38.6948 -38.6948 -38.6943 -38.6942 -38.6937 -38.6937 -8.6412 -8.6411 -8.2997 -8.2991 -0.0327 0.0697 0.5986 0.6085 0.6428 0.7708 1.4995 1.5089 1.9742 1.9840 2.1969 2.2056 7.2348 7.2491 8.0128 8.0314 8.1733 8.2402 8.2881 8.3024 k = 0.1701 0.2946-0.0000 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9824 -38.6950 -38.6949 -38.6948 -38.6948 -38.6943 -38.6942 -38.6937 -38.6937 -8.6588 -8.6587 -8.3044 -8.3039 -0.0579 0.0341 0.6610 0.6691 0.6860 0.8024 1.5463 1.5557 2.0077 2.0172 2.2312 2.2392 7.1333 7.1462 7.9930 7.9941 8.2314 8.2807 8.2925 8.3067 k = 0.1633 0.2828-0.0000 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9824 -38.6950 -38.6949 -38.6948 -38.6948 -38.6943 -38.6942 -38.6937 -38.6937 -8.6762 -8.6762 -8.3095 -8.3089 -0.0846 -0.0022 0.7266 0.7283 0.7388 0.8398 1.5917 1.6011 2.0401 2.0493 2.2644 2.2716 7.0309 7.0426 7.9320 7.9420 8.2910 8.2972 8.3392 8.3570 k = 0.1565 0.2710-0.0000 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9824 -38.9823 -38.6950 -38.6949 -38.6948 -38.6948 -38.6943 -38.6942 -38.6937 -38.6936 -8.6935 -8.6935 -8.3148 -8.3143 -0.1123 -0.0385 0.7818 0.7954 0.8046 0.8824 1.6357 1.6452 2.0715 2.0803 2.2963 2.3029 6.9277 6.9383 7.8624 7.8778 8.3098 8.3125 8.4220 8.4428 k = 0.1497 0.2592-0.0000 ( 5746 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6949 -38.6947 -38.6947 -38.6943 -38.6942 -38.6936 -38.6936 -8.7106 -8.7106 -8.3204 -8.3198 -0.1407 -0.0745 0.8373 0.8670 0.8751 0.9299 1.6783 1.6879 2.1018 2.1101 2.3270 2.3329 6.8238 6.8333 7.7885 7.8069 8.3272 8.3310 8.5160 8.5344 k = 0.1429 0.2474-0.0000 ( 5748 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6949 -38.6947 -38.6947 -38.6943 -38.6942 -38.6936 -38.6936 -8.7274 -8.7273 -8.3261 -8.3256 -0.1693 -0.1098 0.8957 0.9410 0.9487 0.9818 1.7193 1.7291 2.1310 2.1387 2.3563 2.3616 6.7192 6.7276 7.7115 7.7316 8.3493 8.3532 8.6129 8.6290 k = 0.1361 0.2357-0.0000 ( 5748 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6949 -38.6947 -38.6947 -38.6943 -38.6942 -38.6936 -38.6936 -8.7438 -8.7438 -8.3320 -8.3315 -0.1979 -0.1444 0.9570 1.0162 1.0248 1.0388 1.7588 1.7687 2.1591 2.1661 2.3842 2.3889 6.6139 6.6214 7.6317 7.6528 8.3759 8.3797 8.7112 8.7251 k = 0.1293 0.2239-0.0000 ( 5752 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6949 -38.6947 -38.6947 -38.6943 -38.6942 -38.6936 -38.6936 -8.7599 -8.7598 -8.3379 -8.3374 -0.2261 -0.1780 1.0208 1.0872 1.1032 1.1053 1.7967 1.8068 2.1860 2.1922 2.4108 2.4149 6.5081 6.5147 7.5493 7.5711 8.4070 8.4106 8.8096 8.8216 k = 0.1224 0.2121-0.0000 ( 5750 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6949 -38.6946 -38.6946 -38.6943 -38.6942 -38.6936 -38.6936 -8.7754 -8.7754 -8.3439 -8.3434 -0.2538 -0.2104 1.0866 1.1514 1.1832 1.1834 1.8331 1.8432 2.2119 2.2172 2.4359 2.4395 6.4018 6.4075 7.4648 7.4868 8.4423 8.4457 8.9073 8.9175 k = 0.1156 0.2003-0.0000 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6948 -38.6946 -38.6946 -38.6943 -38.6942 -38.6936 -38.6936 -8.7905 -8.7904 -8.3499 -8.3494 -0.2806 -0.2416 1.1541 1.2153 1.2651 1.2651 1.8679 1.8781 2.2367 2.2409 2.4596 2.4626 6.2953 6.3001 7.3783 7.4004 8.4816 8.4847 9.0032 9.0118 k = 0.1088 0.1885-0.0000 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9823 -38.6949 -38.6948 -38.6946 -38.6946 -38.6944 -38.6943 -38.6936 -38.6936 -8.8049 -8.8049 -8.3558 -8.3553 -0.3066 -0.2714 1.2229 1.2804 1.3478 1.3486 1.9012 1.9115 2.2606 2.2636 2.4817 2.4843 6.1886 6.1926 7.2902 7.3122 8.5246 8.5275 9.0960 9.1032 k = 0.1020 0.1767-0.0000 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9823 -38.9822 -38.6948 -38.6948 -38.6946 -38.6946 -38.6944 -38.6943 -38.6936 -38.6936 -8.8188 -8.8188 -8.3616 -8.3611 -0.3315 -0.2998 1.2925 1.3464 1.4310 1.4328 1.9332 1.9434 2.2836 2.2852 2.5024 2.5045 6.0821 6.0853 7.2010 7.2226 8.5710 8.5736 9.1836 9.1899 k = 0.0952 0.1650-0.0000 ( 5750 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6948 -38.6948 -38.6946 -38.6946 -38.6944 -38.6943 -38.6936 -38.6936 -8.8320 -8.8320 -8.3672 -8.3668 -0.3551 -0.3266 1.3622 1.4128 1.5141 1.5170 1.9640 1.9740 2.3060 2.3060 2.5216 2.5233 5.9760 5.9784 7.1112 7.1324 8.6203 8.6228 9.2632 9.2692 k = 0.0884 0.1532-0.0000 ( 5750 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6948 -38.6948 -38.6946 -38.6946 -38.6944 -38.6943 -38.6936 -38.6935 -8.8445 -8.8445 -8.3727 -8.3723 -0.3775 -0.3519 1.4316 1.4789 1.5962 1.6004 1.9938 2.0035 2.3262 2.3279 2.5393 2.5406 5.8707 5.8724 7.0215 7.0420 8.6722 8.6744 9.3303 9.3368 k = 0.0816 0.1414-0.0000 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6948 -38.6948 -38.6946 -38.6946 -38.6944 -38.6943 -38.6936 -38.6935 -8.8562 -8.8562 -8.3779 -8.3775 -0.3984 -0.3755 1.5000 1.5441 1.6765 1.6819 2.0230 2.0321 2.3459 2.3497 2.5555 2.5564 5.7667 5.7677 6.9325 6.9523 8.7260 8.7280 9.3786 9.3859 k = 0.0748 0.1296-0.0000 ( 5752 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.8671 -8.8671 -8.3828 -8.3825 -0.4179 -0.3975 1.5666 1.6076 1.7538 1.7602 2.0519 2.0600 2.3658 2.3718 2.5703 2.5708 5.6645 5.6649 6.8452 6.8641 8.7812 8.7829 9.4022 9.4097 k = 0.0680 0.1178-0.0000 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.8772 -8.8772 -8.3875 -8.3872 -0.4358 -0.4177 1.6306 1.6684 1.8268 1.8339 2.0811 2.0875 2.3863 2.3946 2.5836 2.5837 5.5646 5.5648 6.7604 6.7783 8.8370 8.8385 9.4012 9.4077 k = 0.0612 0.1060-0.0000 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.8865 -8.8865 -8.3918 -8.3915 -0.4521 -0.4362 1.6910 1.7256 1.8941 1.9015 2.1108 2.1148 2.4081 2.4188 2.5951 2.5954 5.4678 5.4685 6.6792 6.6958 8.8926 8.8938 9.3829 9.3876 k = 0.0544 0.0943-0.0000 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.8948 -8.8948 -8.3957 -8.3955 -0.4667 -0.4529 1.7469 1.7780 1.9545 1.9614 2.1409 2.1417 2.4322 2.4449 2.6052 2.6058 5.3753 5.3764 6.6025 6.6178 8.9471 8.9482 9.3560 9.3591 k = 0.0476 0.0825-0.0000 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.9023 -8.9023 -8.3993 -8.3991 -0.4797 -0.4677 1.7974 1.8247 2.0074 2.0131 2.1677 2.1704 2.4591 2.4732 2.6139 2.6149 5.2884 5.2898 6.5315 6.5454 8.9996 9.0004 9.3263 9.3282 k = 0.0408 0.0707-0.0000 ( 5744 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.9087 -8.9087 -8.4024 -8.4022 -0.4908 -0.4807 1.8415 1.8648 2.0530 2.0572 2.1916 2.1973 2.4892 2.5035 2.6212 2.6226 5.2083 5.2099 6.4673 6.4796 9.0488 9.0493 9.2975 9.2986 k = 0.0340 0.0589-0.0000 ( 5736 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.9143 -8.9143 -8.4051 -8.4049 -0.5002 -0.4919 1.8786 1.8978 2.0918 2.0947 2.2122 2.2196 2.5215 2.5347 2.6273 2.6291 5.1366 5.1382 6.4110 6.4214 9.0935 9.0939 9.2715 9.2721 k = 0.0272 0.0471-0.0000 ( 5736 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6943 -38.6935 -38.6935 -8.9188 -8.9188 -8.4073 -8.4072 -0.5078 -0.5012 1.9086 1.9236 2.1247 2.1266 2.2283 2.2362 2.5538 2.5646 2.6321 2.6345 5.0747 5.0763 6.3635 6.3720 9.1324 9.1326 9.2493 9.2496 k = 0.0204 0.0353-0.0000 ( 5732 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6944 -38.6944 -38.6943 -38.6943 -38.6935 -38.6935 -8.9224 -8.9224 -8.4090 -8.4089 -0.5135 -0.5086 1.9316 1.9425 2.1520 2.1531 2.2398 2.2469 2.5833 2.5908 2.6359 2.6389 5.0245 5.0258 6.3257 6.3323 9.1643 9.1644 9.2318 9.2320 k = 0.0136 0.0236-0.0000 ( 5752 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9821 -38.9821 -38.6947 -38.6947 -38.6944 -38.6944 -38.6944 -38.6944 -38.6935 -38.6935 -8.9249 -8.9249 -8.4102 -8.4102 -0.5174 -0.5142 1.9480 1.9551 2.1732 2.1736 2.2470 2.2524 2.6070 2.6107 2.6388 2.6424 4.9873 4.9883 6.2985 6.3029 9.1876 9.1877 9.2195 9.2195 k = 0.0068 0.0118-0.0000 ( 5751 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9821 -38.9821 -38.6947 -38.6947 -38.6944 -38.6944 -38.6944 -38.6944 -38.6935 -38.6935 -8.9264 -8.9264 -8.4110 -8.4110 -0.5194 -0.5178 1.9583 1.9617 2.1869 2.1870 2.2511 2.2540 2.6219 2.6226 2.6417 2.6447 4.9645 4.9650 6.2824 6.2846 9.2005 9.2005 9.2135 9.2135 k = 0.0000 0.0000 0.0000 ( 5755 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6944 -38.6935 -38.6935 -8.9270 -8.9270 -8.4112 -8.4112 -0.5196 -0.5196 1.9628 1.9628 2.1918 2.1918 2.2532 2.2532 2.6265 2.6265 2.6444 2.6444 4.9570 4.9570 6.2777 6.2777 9.2029 9.2029 9.2135 9.2135 k = 0.0000 0.0000 0.0000 ( 5755 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6944 -38.6935 -38.6935 -8.9270 -8.9270 -8.4112 -8.4112 -0.5196 -0.5196 1.9628 1.9628 2.1918 2.1918 2.2532 2.2532 2.6265 2.6265 2.6444 2.6444 4.9570 4.9570 6.2777 6.2777 9.2029 9.2029 9.2135 9.2135 k = 0.0000 0.0000 0.0136 ( 5762 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9821 -38.9821 -38.6947 -38.6947 -38.6945 -38.6945 -38.6944 -38.6944 -38.6935 -38.6935 -8.9264 -8.9264 -8.4119 -8.4119 -0.5172 -0.5172 1.9632 1.9632 2.1922 2.1922 2.2507 2.2507 2.6260 2.6260 2.6384 2.6384 4.9651 4.9651 6.2788 6.2788 9.2026 9.2026 9.2132 9.2132 k = 0.0000 0.0000 0.0271 ( 5750 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9821 -38.9821 -38.6947 -38.6947 -38.6944 -38.6944 -38.6944 -38.6944 -38.6935 -38.6935 -8.9248 -8.9248 -8.4140 -8.4140 -0.5100 -0.5100 1.9646 1.9646 2.1936 2.1936 2.2430 2.2430 2.6212 2.6212 2.6243 2.6243 4.9890 4.9890 6.2821 6.2821 9.2017 9.2017 9.2122 9.2122 k = 0.0000 0.0000 0.0407 ( 5738 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6944 -38.6944 -38.6943 -38.6943 -38.6935 -38.6935 -8.9222 -8.9222 -8.4173 -8.4173 -0.4981 -0.4981 1.9669 1.9669 2.1960 2.1960 2.2293 2.2293 2.5945 2.5945 2.6216 2.6216 5.0277 5.0277 6.2875 6.2875 9.2002 9.2002 9.2107 9.2107 k = 0.0000 0.0000 0.0543 ( 5738 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6944 -38.6944 -38.6943 -38.6943 -38.6935 -38.6935 -8.9184 -8.9184 -8.4221 -8.4221 -0.4814 -0.4814 1.9700 1.9700 2.1992 2.1992 2.2083 2.2083 2.5609 2.5609 2.6178 2.6178 5.0796 5.0796 6.2949 6.2949 9.1984 9.1984 9.2089 9.2089 k = 0.0000 0.0000 0.0679 ( 5738 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9821 -38.9821 -38.6947 -38.6947 -38.6944 -38.6944 -38.6943 -38.6943 -38.6935 -38.6935 -8.9137 -8.9137 -8.4281 -8.4281 -0.4601 -0.4601 1.9740 1.9740 2.1784 2.1784 2.2034 2.2034 2.5241 2.5241 2.6129 2.6129 5.1430 5.1430 6.3044 6.3044 9.1965 9.1965 9.2069 9.2069 k = 0.0000 0.0000 0.0814 ( 5732 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9821 -38.9821 -38.6946 -38.6946 -38.6944 -38.6944 -38.6943 -38.6943 -38.6935 -38.6935 -8.9079 -8.9079 -8.4353 -8.4353 -0.4341 -0.4341 1.9789 1.9789 2.1377 2.1377 2.2084 2.2084 2.4874 2.4874 2.6070 2.6070 5.2158 5.2158 6.3157 6.3157 9.1947 9.1947 9.2051 9.2051 k = 0.0000 0.0000 0.0950 ( 5732 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9821 -38.9821 -38.6946 -38.6946 -38.6944 -38.6944 -38.6943 -38.6943 -38.6935 -38.6935 -8.9011 -8.9011 -8.4438 -8.4438 -0.4036 -0.4036 1.9847 1.9847 2.0852 2.0852 2.2143 2.2143 2.4537 2.4537 2.6002 2.6002 5.2962 5.2962 6.3287 6.3287 9.1933 9.1933 9.2036 9.2036 k = 0.0000 0.0000 0.1086 ( 5738 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9822 -38.9822 -38.6946 -38.6946 -38.6945 -38.6945 -38.6943 -38.6943 -38.6935 -38.6935 -8.8933 -8.8933 -8.4534 -8.4534 -0.3685 -0.3685 1.9913 1.9913 2.0212 2.0212 2.2211 2.2211 2.4242 2.4242 2.5924 2.5924 5.3824 5.3824 6.3433 6.3433 9.1926 9.1926 9.2029 9.2029 k = 0.0000 0.0000 0.1221 ( 5750 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6943 -38.6943 -38.6936 -38.6936 -8.8846 -8.8846 -8.4641 -8.4641 -0.3291 -0.3291 1.9472 1.9472 1.9986 1.9986 2.2287 2.2287 2.3989 2.3989 2.5836 2.5836 5.4728 5.4728 6.3593 6.3593 9.1928 9.1928 9.2030 9.2030 k = 0.0000 0.0000 0.1357 ( 5750 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9822 -38.9822 -38.6947 -38.6947 -38.6945 -38.6945 -38.6943 -38.6943 -38.6936 -38.6936 -8.8749 -8.8749 -8.4759 -8.4759 -0.2853 -0.2853 1.8652 1.8652 2.0068 2.0068 2.2371 2.2371 2.3769 2.3769 2.5741 2.5741 5.5658 5.5658 6.3763 6.3763 9.1942 9.1942 9.2045 9.2045 k = 0.0000 0.0000 0.1493 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9822 -38.9822 -38.6946 -38.6946 -38.6945 -38.6945 -38.6943 -38.6943 -38.6936 -38.6936 -8.8644 -8.8644 -8.4886 -8.4886 -0.2372 -0.2372 1.7771 1.7771 2.0157 2.0157 2.2463 2.2463 2.3573 2.3573 2.5637 2.5637 5.6600 5.6600 6.3941 6.3941 9.1971 9.1971 9.2075 9.2075 k = 0.0000 0.0000 0.1628 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9822 -38.9822 -38.6946 -38.6946 -38.6945 -38.6945 -38.6942 -38.6942 -38.6936 -38.6936 -8.8530 -8.8530 -8.5021 -8.5021 -0.1850 -0.1850 1.6847 1.6847 2.0254 2.0254 2.2561 2.2561 2.3393 2.3393 2.5526 2.5526 5.7541 5.7541 6.4123 6.4123 9.2017 9.2017 9.2122 9.2122 k = 0.0000 0.0000 0.1764 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9822 -38.9822 -38.6946 -38.6946 -38.6945 -38.6945 -38.6942 -38.6942 -38.6936 -38.6936 -8.8407 -8.8407 -8.5165 -8.5165 -0.1288 -0.1288 1.5892 1.5892 2.0357 2.0357 2.2667 2.2667 2.3224 2.3224 2.5408 2.5408 5.8468 5.8468 6.4305 6.4305 9.2082 9.2082 9.2188 9.2188 k = 0.0000 0.0000 0.1900 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9823 -38.9823 -38.6946 -38.6946 -38.6945 -38.6945 -38.6942 -38.6942 -38.6937 -38.6937 -8.8277 -8.8277 -8.5315 -8.5315 -0.0687 -0.0687 1.4918 1.4918 2.0467 2.0467 2.2780 2.2780 2.3061 2.3061 2.5284 2.5284 5.9370 5.9370 6.4482 6.4482 9.2167 9.2167 9.2274 9.2274 k = 0.0000 0.0000 0.2036 ( 5744 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9823 -38.9823 -38.6946 -38.6946 -38.6945 -38.6945 -38.6942 -38.6942 -38.6937 -38.6937 -8.8140 -8.8140 -8.5472 -8.5472 -0.0049 -0.0049 1.3931 1.3931 2.0582 2.0582 2.2898 2.2898 2.2902 2.2902 2.5154 2.5154 6.0234 6.0234 6.4649 6.4649 9.2274 9.2274 9.2384 9.2384 k = 0.0000 0.0000 0.2171 ( 5750 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9823 -38.9823 -38.6946 -38.6946 -38.6945 -38.6945 -38.6942 -38.6942 -38.6937 -38.6937 -8.7996 -8.7996 -8.5635 -8.5635 0.0626 0.0626 1.2941 1.2941 2.0704 2.0704 2.2745 2.2745 2.3022 2.3022 2.5019 2.5019 6.1050 6.1050 6.4800 6.4800 9.2399 9.2399 9.2515 9.2515 k = 0.0000 0.0000 0.2307 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9823 -38.9823 -38.6946 -38.6946 -38.6945 -38.6945 -38.6942 -38.6942 -38.6938 -38.6938 -8.7846 -8.7846 -8.5802 -8.5802 0.1336 0.1336 1.1950 1.1950 2.0830 2.0830 2.2590 2.2590 2.3152 2.3152 2.4881 2.4881 6.1808 6.1808 6.4926 6.4926 9.2386 9.2386 9.2567 9.2567 k = 0.0000 0.0000 0.2443 ( 5726 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9823 -38.9823 -38.6946 -38.6946 -38.6945 -38.6945 -38.6941 -38.6941 -38.6937 -38.6937 -8.7690 -8.7690 -8.5972 -8.5972 0.2079 0.2079 1.0966 1.0966 2.0962 2.0962 2.2435 2.2435 2.3285 2.3285 2.4739 2.4739 6.2497 6.2497 6.5022 6.5022 9.2287 9.2287 9.2741 9.2741 k = 0.0000 0.0000 0.2578 ( 5714 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9823 -38.9823 -38.6946 -38.6946 -38.6945 -38.6945 -38.6941 -38.6941 -38.6938 -38.6938 -8.7529 -8.7529 -8.6145 -8.6145 0.2855 0.2855 0.9990 0.9990 2.1098 2.1098 2.2281 2.2281 2.3423 2.3423 2.4594 2.4594 6.3110 6.3110 6.5077 6.5077 9.2282 9.2282 9.2943 9.2943 k = 0.0000 0.0000 0.2714 ( 5714 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9824 -38.9824 -38.9823 -38.9823 -38.6946 -38.6946 -38.6945 -38.6945 -38.6940 -38.6940 -38.6938 -38.6938 -8.7363 -8.7363 -8.6320 -8.6320 0.3660 0.3660 0.9027 0.9027 2.1237 2.1237 2.2128 2.2128 2.3564 2.3564 2.4447 2.4447 6.3641 6.3641 6.5083 6.5083 9.2380 9.2380 9.3170 9.3170 k = 0.0000 0.0000 0.2850 ( 5738 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9824 -38.9824 -38.9824 -38.9824 -38.6945 -38.6945 -38.6945 -38.6945 -38.6940 -38.6940 -38.6939 -38.6939 -8.7194 -8.7194 -8.6496 -8.6496 0.4494 0.4494 0.8079 0.8079 2.1380 2.1380 2.1975 2.1975 2.3708 2.3708 2.4299 2.4299 6.4087 6.4087 6.5031 6.5031 9.2583 9.2583 9.3421 9.3421 k = 0.0000 0.0000 0.2985 ( 5750 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9824 -38.9824 -38.9824 -38.9824 -38.6945 -38.6945 -38.6945 -38.6945 -38.6940 -38.6940 -38.6939 -38.6939 -8.7022 -8.7022 -8.6673 -8.6673 0.5355 0.5355 0.7150 0.7150 2.1526 2.1526 2.1824 2.1824 2.3854 2.3854 2.4151 2.4151 6.4445 6.4445 6.4912 6.4912 9.2893 9.2893 9.3699 9.3699 k = 0.0000 0.0000 0.3121 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6945 -38.6945 -38.6945 -38.6945 -38.6940 -38.6940 -38.6940 -38.6940 -8.6848 -8.6848 -8.6848 -8.6848 0.6241 0.6241 0.6241 0.6241 2.1674 2.1674 2.1674 2.1674 2.4002 2.4002 2.4002 2.4002 6.4719 6.4719 6.4719 6.4719 9.3306 9.3306 9.3307 9.3307 k = 0.0000 0.0000 0.3121 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6945 -38.6945 -38.6945 -38.6945 -38.6940 -38.6940 -38.6940 -38.6940 -8.6848 -8.6848 -8.6848 -8.6848 0.6241 0.6241 0.6241 0.6241 2.1674 2.1674 2.1674 2.1674 2.4002 2.4002 2.4002 2.4002 6.4719 6.4719 6.4719 6.4719 9.3306 9.3306 9.3307 9.3307 k = 0.0119 0.0069 0.3121 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6945 -38.6945 -38.6945 -38.6945 -38.6940 -38.6940 -38.6940 -38.6940 -8.6844 -8.6844 -8.6844 -8.6844 0.6226 0.6226 0.6248 0.6248 2.1635 2.1635 2.1672 2.1673 2.3980 2.3980 2.3980 2.3980 6.4763 6.4763 6.4783 6.4783 9.2844 9.2844 9.2868 9.2869 k = 0.0238 0.0137 0.3121 ( 5762 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6945 -38.6945 -38.6940 -38.6940 -38.6940 -38.6940 -8.6832 -8.6832 -8.6832 -8.6832 0.6203 0.6203 0.6247 0.6247 2.1554 2.1554 2.1631 2.1631 2.3915 2.3915 2.3917 2.3917 6.4912 6.4912 6.4952 6.4952 9.2119 9.2119 9.2149 9.2149 k = 0.0357 0.0206 0.3121 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6812 -8.6812 -8.6811 -8.6811 0.6172 0.6172 0.6237 0.6237 2.1431 2.1431 2.1548 2.1548 2.3810 2.3811 2.3815 2.3816 6.5165 6.5165 6.5223 6.5224 9.1345 9.1345 9.1378 9.1378 k = 0.0476 0.0275 0.3121 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6783 -8.6783 -8.6783 -8.6783 0.6131 0.6131 0.6218 0.6218 2.1264 2.1265 2.1423 2.1423 2.3672 2.3672 2.3683 2.3683 6.5514 6.5514 6.5591 6.5591 9.0549 9.0549 9.0584 9.0585 k = 0.0595 0.0344 0.3121 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6747 -8.6747 -8.6747 -8.6747 0.6079 0.6079 0.6188 0.6188 2.1054 2.1054 2.1256 2.1257 2.3507 2.3507 2.3526 2.3526 6.5953 6.5953 6.6046 6.6047 8.9745 8.9745 8.9783 8.9783 k = 0.0714 0.0412 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6703 -8.6703 -8.6703 -8.6703 0.6015 0.6016 0.6146 0.6146 2.0802 2.0802 2.1048 2.1048 2.3323 2.3323 2.3353 2.3353 6.6470 6.6471 6.6580 6.6580 8.8943 8.8943 8.8982 8.8982 k = 0.0833 0.0481 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6652 -8.6652 -8.6651 -8.6651 0.5938 0.5938 0.6090 0.6090 2.0510 2.0510 2.0799 2.0799 2.3127 2.3127 2.3167 2.3168 6.7055 6.7056 6.7179 6.7179 8.8152 8.8152 8.8193 8.8193 k = 0.0952 0.0550 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6593 -8.6593 -8.6592 -8.6592 0.5844 0.5844 0.6017 0.6017 2.0185 2.0185 2.0514 2.0514 2.2925 2.2925 2.2976 2.2976 6.7694 6.7694 6.7830 6.7830 8.7383 8.7383 8.7426 8.7426 k = 0.1071 0.0619 0.3121 ( 5770 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6527 -8.6527 -8.6526 -8.6526 0.5732 0.5733 0.5925 0.5926 1.9834 1.9834 2.0199 2.0199 2.2720 2.2720 2.2780 2.2780 6.8369 6.8369 6.8516 6.8516 8.6646 8.6647 8.6692 8.6692 k = 0.1190 0.0687 0.3121 ( 5770 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6939 -8.6455 -8.6455 -8.6454 -8.6453 0.5600 0.5600 0.5812 0.5812 1.9465 1.9465 1.9862 1.9862 2.2515 2.2515 2.2581 2.2581 6.9062 6.9062 6.9218 6.9219 8.5955 8.5955 8.6003 8.6004 k = 0.1310 0.0756 0.3121 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.6376 -8.6376 -8.6374 -8.6374 0.5444 0.5444 0.5674 0.5674 1.9088 1.9088 1.9514 1.9514 2.2310 2.2310 2.2381 2.2382 6.9751 6.9751 6.9914 6.9914 8.5323 8.5323 8.5375 8.5375 k = 0.1429 0.0825 0.3121 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.6291 -8.6291 -8.6289 -8.6289 0.5263 0.5263 0.5509 0.5509 1.8713 1.8713 1.9162 1.9162 2.2105 2.2105 2.2180 2.2180 7.0410 7.0410 7.0578 7.0578 8.4767 8.4767 8.4824 8.4825 k = 0.1548 0.0894 0.3121 ( 5762 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.6200 -8.6200 -8.6199 -8.6198 0.5055 0.5055 0.5314 0.5314 1.8349 1.8349 1.8817 1.8817 2.1901 2.1901 2.1978 2.1978 7.1010 7.1010 7.1179 7.1179 8.4306 8.4306 8.4370 8.4370 k = 0.1667 0.0962 0.3121 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.6104 -8.6104 -8.6103 -8.6102 0.4817 0.4817 0.5087 0.5087 1.8003 1.8003 1.8485 1.8485 2.1697 2.1697 2.1775 2.1775 7.1521 7.1521 7.1688 7.1688 8.3957 8.3957 8.4030 8.4031 k = 0.1786 0.1031 0.3121 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.6004 -8.6003 -8.6002 -8.6002 0.4550 0.4550 0.4827 0.4827 1.7683 1.7683 1.8174 1.8174 2.1494 2.1494 2.1572 2.1572 7.1913 7.1913 7.2074 7.2074 8.3736 8.3736 8.3821 8.3821 k = 0.1905 0.1100 0.3121 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9825 -38.9825 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.5899 -8.5899 -8.5897 -8.5897 0.4253 0.4253 0.4534 0.4534 1.7392 1.7393 1.7889 1.7889 2.1291 2.1291 2.1369 2.1369 7.2165 7.2166 7.2318 7.2318 8.3646 8.3646 8.3744 8.3744 k = 0.2024 0.1168 0.3121 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9825 -38.9825 -38.6948 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.5790 -8.5790 -8.5788 -8.5788 0.3926 0.3926 0.4208 0.4208 1.7136 1.7136 1.7633 1.7633 2.1089 2.1089 2.1167 2.1167 7.2270 7.2270 7.2411 7.2411 8.3677 8.3677 8.3790 8.3790 k = 0.2143 0.1237 0.3121 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9825 -38.9825 -38.6948 -38.6948 -38.6948 -38.6948 -38.6940 -38.6940 -38.6939 -38.6939 -8.5678 -8.5678 -8.5676 -8.5676 0.3571 0.3572 0.3852 0.3852 1.6916 1.6916 1.7409 1.7409 2.0889 2.0889 2.0966 2.0967 7.2232 7.2232 7.2362 7.2362 8.3801 8.3801 8.3928 8.3928 k = 0.2262 0.1306 0.3121 ( 5750 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9825 -38.9825 -38.6948 -38.6948 -38.6948 -38.6948 -38.6940 -38.6940 -38.6939 -38.6939 -8.5564 -8.5564 -8.5562 -8.5562 0.3192 0.3192 0.3467 0.3467 1.6732 1.6732 1.7217 1.7217 2.0692 2.0692 2.0768 2.0769 7.2072 7.2072 7.2190 7.2190 8.3978 8.3978 8.4116 8.4116 k = 0.2381 0.1375 0.3121 ( 5754 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9825 -38.9825 -38.9825 -38.6948 -38.6948 -38.6948 -38.6948 -38.6940 -38.6940 -38.6939 -38.6939 -8.5447 -8.5447 -8.5445 -8.5445 0.2791 0.2791 0.3058 0.3058 1.6583 1.6583 1.7058 1.7058 2.0499 2.0499 2.0574 2.0574 7.1813 7.1813 7.1920 7.1921 8.4163 8.4163 8.4309 8.4310 k = 0.2500 0.1443 0.3121 ( 5762 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9825 -38.9825 -38.6948 -38.6948 -38.6948 -38.6948 -38.6940 -38.6940 -38.6940 -38.6939 -8.5330 -8.5329 -8.5328 -8.5327 0.2372 0.2372 0.2629 0.2630 1.6468 1.6468 1.6929 1.6929 2.0310 2.0310 2.0384 2.0384 7.1481 7.1481 7.1579 7.1579 8.4316 8.4317 8.4468 8.4468 k = 0.2619 0.1512 0.3121 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9825 -38.9825 -38.6949 -38.6948 -38.6948 -38.6948 -38.6940 -38.6940 -38.6940 -38.6939 -8.5211 -8.5211 -8.5209 -8.5209 0.1939 0.1939 0.2185 0.2185 1.6383 1.6383 1.6828 1.6828 2.0126 2.0126 2.0199 2.0199 7.1098 7.1098 7.1188 7.1188 8.4410 8.4410 8.4563 8.4563 k = 0.2738 0.1581 0.3121 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9826 -38.9825 -38.6949 -38.6949 -38.6949 -38.6949 -38.6940 -38.6940 -38.6940 -38.6939 -8.5092 -8.5092 -8.5090 -8.5090 0.1497 0.1498 0.1731 0.1731 1.6325 1.6325 1.6752 1.6752 1.9950 1.9950 2.0020 2.0021 7.0683 7.0683 7.0765 7.0766 8.4429 8.4430 8.4580 8.4580 k = 0.2857 0.1650 0.3121 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9826 -38.9825 -38.6949 -38.6949 -38.6949 -38.6949 -38.6940 -38.6940 -38.6940 -38.6939 -8.4974 -8.4974 -8.4972 -8.4972 0.1051 0.1051 0.1271 0.1271 1.6291 1.6291 1.6699 1.6699 1.9781 1.9781 1.9850 1.9850 7.0249 7.0249 7.0326 7.0326 8.4371 8.4371 8.4517 8.4517 k = 0.2976 0.1718 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9826 -38.9826 -38.6949 -38.6949 -38.6949 -38.6949 -38.6940 -38.6940 -38.6940 -38.6939 -8.4857 -8.4857 -8.4856 -8.4855 0.0605 0.0605 0.0810 0.0810 1.6276 1.6276 1.6664 1.6664 1.9621 1.9621 1.9688 1.9688 6.9809 6.9809 6.9880 6.9880 8.4242 8.4242 8.4382 8.4382 k = 0.3095 0.1787 0.3121 ( 5784 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9826 -38.9826 -38.6950 -38.6950 -38.6949 -38.6949 -38.6940 -38.6940 -38.6940 -38.6939 -8.4743 -8.4743 -8.4741 -8.4741 0.0162 0.0162 0.0354 0.0354 1.6278 1.6278 1.6644 1.6644 1.9472 1.9472 1.9535 1.9535 6.9369 6.9370 6.9435 6.9435 8.4053 8.4053 8.4185 8.4185 k = 0.3214 0.1856 0.3121 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9826 -38.9826 -38.9826 -38.6950 -38.6950 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6940 -8.4630 -8.4630 -8.4629 -8.4629 -0.0272 -0.0272 -0.0095 -0.0095 1.6292 1.6292 1.6636 1.6636 1.9333 1.9333 1.9394 1.9394 6.8938 6.8938 6.9000 6.9000 8.3817 8.3817 8.3941 8.3942 k = 0.3333 0.1925 0.3121 ( 5782 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9826 -38.9826 -38.9826 -38.6950 -38.6950 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.4522 -8.4521 -8.4520 -8.4520 -0.0694 -0.0694 -0.0531 -0.0531 1.6315 1.6316 1.6636 1.6636 1.9207 1.9208 1.9264 1.9264 6.8521 6.8521 6.8577 6.8577 8.3548 8.3548 8.3664 8.3664 k = 0.3452 0.1993 0.3121 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9826 -38.9826 -38.6950 -38.6950 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.4417 -8.4417 -8.4415 -8.4415 -0.1101 -0.1101 -0.0951 -0.0951 1.6344 1.6344 1.6641 1.6641 1.9095 1.9095 1.9147 1.9147 6.8120 6.8120 6.8173 6.8173 8.3257 8.3257 8.3365 8.3366 k = 0.3571 0.2062 0.3121 ( 5770 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9826 -38.9826 -38.6950 -38.6950 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.4316 -8.4316 -8.4315 -8.4315 -0.1489 -0.1489 -0.1353 -0.1353 1.6376 1.6376 1.6648 1.6648 1.8996 1.8996 1.9043 1.9043 6.7740 6.7740 6.7789 6.7789 8.2956 8.2957 8.3056 8.3056 k = 0.3690 0.2131 0.3121 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9826 -38.9826 -38.6950 -38.6950 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.4222 -8.4221 -8.4220 -8.4220 -0.1856 -0.1856 -0.1733 -0.1733 1.6408 1.6408 1.6655 1.6655 1.8912 1.8912 1.8953 1.8953 6.7384 6.7384 6.7428 6.7428 8.2654 8.2654 8.2745 8.2746 k = 0.3810 0.2199 0.3121 ( 5770 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9826 -38.9826 -38.9826 -38.6950 -38.6950 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.4133 -8.4132 -8.4131 -8.4131 -0.2199 -0.2199 -0.2088 -0.2088 1.6438 1.6439 1.6660 1.6660 1.8842 1.8842 1.8877 1.8877 6.7052 6.7053 6.7093 6.7093 8.2358 8.2358 8.2441 8.2441 k = 0.3929 0.2268 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6950 -38.6950 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6940 -8.4050 -8.4050 -8.4049 -8.4049 -0.2515 -0.2515 -0.2417 -0.2417 1.6466 1.6466 1.6662 1.6662 1.8786 1.8786 1.8814 1.8814 6.6748 6.6748 6.6785 6.6785 8.2074 8.2074 8.2149 8.2149 k = 0.4048 0.2337 0.3121 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6940 -8.3975 -8.3974 -8.3973 -8.3973 -0.2803 -0.2803 -0.2716 -0.2716 1.6489 1.6489 1.6660 1.6660 1.8742 1.8742 1.8764 1.8764 6.6473 6.6473 6.6506 6.6506 8.1809 8.1809 8.1875 8.1875 k = 0.4167 0.2406 0.3121 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6940 -8.3907 -8.3907 -8.3906 -8.3906 -0.3060 -0.3060 -0.2985 -0.2985 1.6508 1.6508 1.6654 1.6655 1.8710 1.8710 1.8727 1.8727 6.6228 6.6228 6.6256 6.6256 8.1566 8.1566 8.1623 8.1624 k = 0.4286 0.2474 0.3121 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3847 -8.3847 -8.3846 -8.3846 -0.3286 -0.3286 -0.3222 -0.3222 1.6523 1.6523 1.6646 1.6646 1.8688 1.8688 1.8699 1.8699 6.6013 6.6013 6.6038 6.6038 8.1349 8.1349 8.1398 8.1398 k = 0.4405 0.2543 0.3121 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3796 -8.3795 -8.3795 -8.3795 -0.3478 -0.3478 -0.3426 -0.3426 1.6535 1.6535 1.6635 1.6635 1.8673 1.8673 1.8680 1.8680 6.5831 6.5831 6.5852 6.5852 8.1161 8.1161 8.1202 8.1202 k = 0.4524 0.2612 0.3121 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3753 -8.3753 -8.3752 -8.3752 -0.3636 -0.3636 -0.3595 -0.3594 1.6544 1.6544 1.6623 1.6623 1.8664 1.8664 1.8668 1.8668 6.5681 6.5681 6.5698 6.5698 8.1005 8.1005 8.1038 8.1038 k = 0.4643 0.2681 0.3121 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3720 -8.3719 -8.3719 -8.3719 -0.3759 -0.3759 -0.3728 -0.3728 1.6552 1.6552 1.6610 1.6610 1.8658 1.8659 1.8661 1.8661 6.5564 6.5565 6.5577 6.5577 8.0883 8.0883 8.0907 8.0907 k = 0.4762 0.2749 0.3121 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3695 -8.3695 -8.3695 -8.3695 -0.3846 -0.3846 -0.3825 -0.3825 1.6560 1.6560 1.6598 1.6598 1.8656 1.8656 1.8657 1.8657 6.5481 6.5481 6.5490 6.5490 8.0795 8.0795 8.0812 8.0812 k = 0.4881 0.2818 0.3121 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6940 -8.3681 -8.3681 -8.3681 -8.3681 -0.3896 -0.3896 -0.3886 -0.3886 1.6567 1.6567 1.6586 1.6586 1.8655 1.8655 1.8655 1.8655 6.5432 6.5432 6.5436 6.5436 8.0744 8.0744 8.0752 8.0752 k = 0.5000 0.2887 0.3121 ( 5780 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6940 -8.3676 -8.3676 -8.3676 -8.3676 -0.3909 -0.3909 -0.3909 -0.3909 1.6576 1.6576 1.6576 1.6576 1.8654 1.8654 1.8654 1.8654 6.5417 6.5417 6.5417 6.5417 8.0730 8.0730 8.0730 8.0730 k = 0.5000 0.2887 0.3121 ( 5780 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6940 -8.3676 -8.3676 -8.3676 -8.3676 -0.3909 -0.3909 -0.3909 -0.3909 1.6576 1.6576 1.6576 1.6576 1.8654 1.8654 1.8654 1.8654 6.5417 6.5417 6.5417 6.5417 8.0730 8.0730 8.0730 8.0730 k = 0.4933 0.3002 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6940 -8.3675 -8.3675 -8.3674 -8.3674 -0.3917 -0.3917 -0.3887 -0.3887 1.6377 1.6377 1.6686 1.6686 1.8528 1.8529 1.8809 1.8809 6.5454 6.5454 6.5468 6.5468 8.0741 8.0741 8.0773 8.0773 k = 0.4867 0.3118 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3671 -8.3670 -8.3670 -8.3670 -0.3909 -0.3909 -0.3851 -0.3851 1.6109 1.6109 1.6681 1.6682 1.8457 1.8457 1.8971 1.8971 6.5577 6.5578 6.5606 6.5606 8.0807 8.0807 8.0870 8.0870 k = 0.4800 0.3233 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3664 -8.3664 -8.3663 -8.3663 -0.3888 -0.3888 -0.3799 -0.3799 1.5787 1.5787 1.6552 1.6552 1.8452 1.8452 1.9128 1.9128 6.5785 6.5785 6.5827 6.5827 8.0928 8.0928 8.1022 8.1022 k = 0.4733 0.3349 0.3121 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3654 -8.3654 -8.3653 -8.3653 -0.3852 -0.3852 -0.3733 -0.3733 1.5419 1.5419 1.6311 1.6311 1.8503 1.8503 1.9276 1.9276 6.6070 6.6070 6.6127 6.6127 8.1103 8.1104 8.1229 8.1229 k = 0.4667 0.3464 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3642 -8.3642 -8.3640 -8.3640 -0.3804 -0.3804 -0.3653 -0.3653 1.5011 1.5011 1.5986 1.5986 1.8588 1.8588 1.9412 1.9412 6.6427 6.6427 6.6498 6.6498 8.1334 8.1335 8.1491 8.1491 k = 0.4600 0.3580 0.3121 ( 5770 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6951 -38.6951 -38.6951 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.3627 -8.3627 -8.3626 -8.3625 -0.3742 -0.3742 -0.3559 -0.3559 1.4569 1.4569 1.5599 1.5599 1.8689 1.8689 1.9536 1.9536 6.6846 6.6846 6.6931 6.6931 8.1621 8.1621 8.1808 8.1809 k = 0.4533 0.3695 0.3121 ( 5770 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.3610 -8.3610 -8.3608 -8.3608 -0.3668 -0.3668 -0.3451 -0.3451 1.4096 1.4096 1.5167 1.5167 1.8796 1.8796 1.9648 1.9648 6.7318 6.7319 6.7417 6.7417 8.1962 8.1963 8.2180 8.2180 k = 0.4467 0.3811 0.3121 ( 5766 PWs) bands (ev): -72.0406 -72.0405 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.3591 -8.3591 -8.3589 -8.3589 -0.3582 -0.3582 -0.3330 -0.3330 1.3597 1.3597 1.4701 1.4701 1.8902 1.8902 1.9751 1.9751 6.7833 6.7834 6.7945 6.7945 8.2357 8.2357 8.2602 8.2602 k = 0.4400 0.3926 0.3121 ( 5756 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.3570 -8.3570 -8.3568 -8.3568 -0.3486 -0.3486 -0.3197 -0.3197 1.3078 1.3078 1.4211 1.4211 1.9006 1.9007 1.9846 1.9846 6.8380 6.8380 6.8504 6.8504 8.2800 8.2800 8.3070 8.3070 k = 0.4333 0.4041 0.3121 ( 5752 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.3548 -8.3548 -8.3545 -8.3545 -0.3381 -0.3381 -0.3052 -0.3052 1.2543 1.2543 1.3704 1.3704 1.9106 1.9107 1.9933 1.9933 6.8948 6.8948 6.9082 6.9082 8.3284 8.3284 8.3574 8.3574 k = 0.4267 0.4157 0.3121 ( 5752 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.3524 -8.3524 -8.3521 -8.3521 -0.3268 -0.3268 -0.2897 -0.2897 1.1999 1.1999 1.3188 1.3189 1.9202 1.9202 2.0015 2.0015 6.9525 6.9525 6.9669 6.9669 8.3797 8.3797 8.4100 8.4100 k = 0.4200 0.4272 0.3121 ( 5744 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6940 -38.6940 -38.6939 -38.6939 -8.3500 -8.3499 -8.3497 -8.3496 -0.3148 -0.3148 -0.2733 -0.2733 1.1450 1.1450 1.2671 1.2671 1.9293 1.9293 2.0090 2.0090 7.0104 7.0104 7.0254 7.0254 8.4318 8.4318 8.4626 8.4626 k = 0.4133 0.4388 0.3121 ( 5756 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6940 -38.6940 -38.6940 -38.6939 -8.3474 -8.3474 -8.3471 -8.3471 -0.3024 -0.3024 -0.2562 -0.2562 1.0903 1.0903 1.2157 1.2157 1.9378 1.9378 2.0161 2.0161 7.0674 7.0674 7.0828 7.0828 8.4819 8.4819 8.5123 8.5123 k = 0.4067 0.4503 0.3121 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6939 -8.3449 -8.3449 -8.3445 -8.3445 -0.2897 -0.2897 -0.2386 -0.2386 1.0364 1.0364 1.1654 1.1654 1.9459 1.9459 2.0228 2.0228 7.1229 7.1229 7.1383 7.1383 8.5260 8.5260 8.5556 8.5557 k = 0.4000 0.4619 0.3121 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6939 -8.3423 -8.3423 -8.3420 -8.3419 -0.2769 -0.2769 -0.2206 -0.2206 0.9838 0.9838 1.1169 1.1169 1.9534 1.9535 2.0290 2.0290 7.1761 7.1761 7.1913 7.1913 8.5592 8.5592 8.5894 8.5894 k = 0.3933 0.4734 0.3121 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6939 -8.3398 -8.3398 -8.3394 -8.3394 -0.2644 -0.2644 -0.2026 -0.2026 0.9333 0.9333 1.0707 1.0707 1.9605 1.9605 2.0348 2.0348 7.2265 7.2265 7.2411 7.2411 8.5776 8.5776 8.6111 8.6112 k = 0.3867 0.4850 0.3121 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3374 -8.3374 -8.3370 -8.3370 -0.2523 -0.2523 -0.1849 -0.1849 0.8854 0.8855 1.0275 1.0275 1.9669 1.9669 2.0401 2.0401 7.2736 7.2736 7.2872 7.2872 8.5801 8.5801 8.6199 8.6199 k = 0.3800 0.4965 0.3121 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6939 -8.3351 -8.3351 -8.3347 -8.3347 -0.2409 -0.2409 -0.1679 -0.1679 0.8410 0.8410 0.9879 0.9879 1.9728 1.9728 2.0450 2.0450 7.3167 7.3167 7.3291 7.3291 8.5694 8.5695 8.6164 8.6164 k = 0.3733 0.5081 0.3121 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3330 -8.3330 -8.3326 -8.3326 -0.2306 -0.2306 -0.1519 -0.1519 0.8006 0.8006 0.9524 0.9524 1.9780 1.9780 2.0494 2.0494 7.3555 7.3555 7.3663 7.3663 8.5499 8.5499 8.6036 8.6036 k = 0.3667 0.5196 0.3121 ( 5782 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3311 -8.3311 -8.3307 -8.3307 -0.2215 -0.2215 -0.1375 -0.1375 0.7650 0.7650 0.9215 0.9215 1.9825 1.9825 2.0532 2.0532 7.3892 7.3892 7.3985 7.3985 8.5260 8.5260 8.5853 8.5853 k = 0.3600 0.5312 0.3121 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9826 -38.6953 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3295 -8.3295 -8.3290 -8.3290 -0.2139 -0.2139 -0.1250 -0.1250 0.7348 0.7348 0.8957 0.8957 1.9863 1.9864 2.0564 2.0564 7.4174 7.4174 7.4250 7.4251 8.5017 8.5017 8.5655 8.5655 k = 0.3533 0.5427 0.3121 ( 5782 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3281 -8.3281 -8.3277 -8.3277 -0.2080 -0.2080 -0.1150 -0.1150 0.7108 0.7108 0.8754 0.8754 1.9894 1.9894 2.0590 2.0590 7.4395 7.4395 7.4457 7.4457 8.4800 8.4800 8.5472 8.5472 k = 0.3467 0.5543 0.3121 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3271 -8.3271 -8.3267 -8.3267 -0.2039 -0.2039 -0.1078 -0.1078 0.6933 0.6933 0.8608 0.8608 1.9916 1.9916 2.0609 2.0609 7.4553 7.4553 7.4603 7.4603 8.4631 8.4631 8.5327 8.5327 k = 0.3400 0.5658 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3265 -8.3265 -8.3261 -8.3260 -0.2016 -0.2016 -0.1035 -0.1035 0.6828 0.6828 0.8520 0.8520 1.9930 1.9930 2.0621 2.0621 7.4646 7.4646 7.4688 7.4688 8.4526 8.4526 8.5236 8.5236 k = 0.3333 0.5774 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3263 -8.3263 -8.3258 -8.3258 -0.2008 -0.2008 -0.1021 -0.1021 0.6794 0.6794 0.8491 0.8491 1.9935 1.9935 2.0625 2.0625 7.4675 7.4675 7.4715 7.4715 8.4490 8.4490 8.5205 8.5205 k = 0.3333 0.5774 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3263 -8.3263 -8.3258 -8.3258 -0.2008 -0.2008 -0.1021 -0.1021 0.6794 0.6794 0.8491 0.8491 1.9935 1.9935 2.0625 2.0625 7.4675 7.4675 7.4715 7.4715 8.4490 8.4490 8.5205 8.5205 k = 0.3265 0.5656 0.3121 ( 5788 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3265 -8.3265 -8.3261 -8.3261 -0.2015 -0.2015 -0.1034 -0.1034 0.6829 0.6829 0.8521 0.8521 1.9930 1.9930 2.0621 2.0621 7.4647 7.4647 7.4689 7.4689 8.4527 8.4527 8.5236 8.5237 k = 0.3197 0.5538 0.3121 ( 5784 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3273 -8.3272 -8.3268 -8.3268 -0.2033 -0.2033 -0.1070 -0.1070 0.6931 0.6932 0.8607 0.8607 1.9915 1.9915 2.0607 2.0608 7.4569 7.4569 7.4617 7.4617 8.4631 8.4631 8.5328 8.5328 k = 0.3129 0.5420 0.3121 ( 5782 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3285 -8.3285 -8.3281 -8.3281 -0.2057 -0.2057 -0.1122 -0.1122 0.7096 0.7096 0.8747 0.8747 1.9889 1.9889 2.0586 2.0586 7.4453 7.4453 7.4510 7.4510 8.4794 8.4794 8.5471 8.5471 k = 0.3061 0.5302 0.3121 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9826 -38.6953 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3304 -8.3304 -8.3299 -8.3299 -0.2085 -0.2085 -0.1184 -0.1184 0.7314 0.7314 0.8935 0.8935 1.9853 1.9853 2.0554 2.0555 7.4309 7.4310 7.4378 7.4378 8.5005 8.5005 8.5655 8.5655 k = 0.2993 0.5184 0.3121 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3328 -8.3328 -8.3324 -8.3324 -0.2109 -0.2109 -0.1248 -0.1248 0.7580 0.7580 0.9168 0.9168 1.9807 1.9807 2.0514 2.0514 7.4151 7.4151 7.4232 7.4232 8.5251 8.5252 8.5868 8.5868 k = 0.2925 0.5067 0.3121 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3358 -8.3358 -8.3354 -8.3354 -0.2127 -0.2127 -0.1307 -0.1307 0.7887 0.7887 0.9440 0.9440 1.9750 1.9750 2.0465 2.0465 7.3987 7.3987 7.4080 7.4080 8.5522 8.5522 8.6099 8.6099 k = 0.2857 0.4949 0.3121 ( 5794 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3395 -8.3395 -8.3391 -8.3391 -0.2134 -0.2134 -0.1355 -0.1355 0.8227 0.8228 0.9747 0.9747 1.9683 1.9683 2.0407 2.0407 7.3826 7.3826 7.3931 7.3931 8.5804 8.5804 8.6335 8.6335 k = 0.2789 0.4831 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3438 -8.3437 -8.3434 -8.3433 -0.2125 -0.2125 -0.1388 -0.1388 0.8596 0.8596 1.0084 1.0084 1.9606 1.9606 2.0342 2.0342 7.3675 7.3675 7.3792 7.3792 8.6087 8.6087 8.6567 8.6567 k = 0.2721 0.4713 0.3121 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3487 -8.3487 -8.3483 -8.3483 -0.2099 -0.2099 -0.1402 -0.1402 0.8988 0.8988 1.0448 1.0448 1.9520 1.9520 2.0268 2.0269 7.3539 7.3539 7.3667 7.3667 8.6362 8.6362 8.6782 8.6783 k = 0.2653 0.4595 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3542 -8.3542 -8.3539 -8.3538 -0.2052 -0.2052 -0.1393 -0.1393 0.9399 0.9399 1.0834 1.0834 1.9426 1.9426 2.0189 2.0189 7.3423 7.3423 7.3560 7.3560 8.6619 8.6619 8.6974 8.6974 k = 0.2585 0.4477 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3604 -8.3604 -8.3601 -8.3600 -0.1982 -0.1982 -0.1358 -0.1358 0.9824 0.9824 1.1238 1.1238 1.9325 1.9325 2.0104 2.0104 7.3329 7.3329 7.3475 7.3475 8.6848 8.6849 8.7134 8.7134 k = 0.2517 0.4360 0.3121 ( 5798 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3672 -8.3672 -8.3669 -8.3669 -0.1887 -0.1887 -0.1297 -0.1297 1.0259 1.0259 1.1657 1.1657 1.9217 1.9217 2.0015 2.0015 7.3260 7.3260 7.3413 7.3413 8.7040 8.7040 8.7257 8.7257 k = 0.2449 0.4242 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6940 -8.3747 -8.3746 -8.3743 -8.3743 -0.1766 -0.1766 -0.1207 -0.1207 1.0702 1.0702 1.2089 1.2089 1.9105 1.9105 1.9924 1.9924 7.3217 7.3217 7.3377 7.3377 8.7179 8.7179 8.7346 8.7346 k = 0.2381 0.4124 0.3121 ( 5788 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6940 -8.3827 -8.3826 -8.3823 -8.3823 -0.1618 -0.1618 -0.1088 -0.1088 1.1149 1.1149 1.2528 1.2528 1.8989 1.8990 1.9833 1.9833 7.3201 7.3201 7.3367 7.3367 8.7245 8.7245 8.7408 8.7408 k = 0.2313 0.4006 0.3121 ( 5792 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9826 -38.6952 -38.6951 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6940 -8.3912 -8.3912 -8.3909 -8.3909 -0.1444 -0.1444 -0.0940 -0.0940 1.1597 1.1597 1.2974 1.2974 1.8873 1.8873 1.9743 1.9743 7.3211 7.3211 7.3383 7.3383 8.7228 8.7228 8.7440 8.7440 k = 0.2245 0.3888 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6940 -8.4003 -8.4003 -8.4000 -8.4000 -0.1243 -0.1243 -0.0763 -0.0763 1.2042 1.2042 1.3421 1.3421 1.8759 1.8759 1.9657 1.9657 7.3249 7.3249 7.3425 7.3425 8.7137 8.7137 8.7423 8.7423 k = 0.2177 0.3770 0.3121 ( 5792 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6940 -8.4099 -8.4099 -8.4096 -8.4096 -0.1016 -0.1016 -0.0558 -0.0558 1.2481 1.2481 1.3868 1.3868 1.8649 1.8649 1.9579 1.9579 7.3312 7.3312 7.3493 7.3493 8.6977 8.6977 8.7339 8.7339 k = 0.2109 0.3653 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6940 -8.4200 -8.4199 -8.4197 -8.4197 -0.0763 -0.0763 -0.0325 -0.0325 1.2912 1.2912 1.4310 1.4310 1.8546 1.8546 1.9510 1.9510 7.3401 7.3401 7.3586 7.3586 8.6750 8.6750 8.7179 8.7179 k = 0.2041 0.3535 0.3121 ( 5794 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6940 -8.4304 -8.4304 -8.4301 -8.4301 -0.0487 -0.0487 -0.0067 -0.0067 1.3330 1.3330 1.4743 1.4743 1.8456 1.8457 1.9455 1.9455 7.3514 7.3514 7.3703 7.3703 8.6456 8.6456 8.6939 8.6939 k = 0.1973 0.3417 0.3121 ( 5794 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6949 -38.6941 -38.6940 -38.6940 -38.6940 -8.4413 -8.4412 -8.4410 -8.4410 -0.0188 -0.0188 0.0216 0.0216 1.3734 1.3734 1.5162 1.5162 1.8385 1.8385 1.9418 1.9418 7.3648 7.3648 7.3841 7.3841 8.6100 8.6100 8.6619 8.6619 k = 0.1905 0.3299 0.3121 ( 5794 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6950 -38.6949 -38.6949 -38.6940 -38.6940 -38.6940 -38.6940 -8.4524 -8.4524 -8.4522 -8.4521 0.0131 0.0131 0.0521 0.0521 1.4119 1.4119 1.5559 1.5560 1.8339 1.8339 1.9401 1.9401 7.3801 7.3801 7.3999 7.3999 8.5688 8.5688 8.6228 8.6228 k = 0.1837 0.3181 0.3121 ( 5806 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9827 -38.9826 -38.9826 -38.6950 -38.6950 -38.6949 -38.6949 -38.6941 -38.6940 -38.6940 -38.6940 -8.4638 -8.4638 -8.4636 -8.4636 0.0468 0.0468 0.0845 0.0845 1.4482 1.4482 1.5927 1.5927 1.8329 1.8329 1.9409 1.9409 7.3968 7.3969 7.4171 7.4171 8.5230 8.5230 8.5776 8.5776 k = 0.1769 0.3063 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9826 -38.9826 -38.9826 -38.6950 -38.6950 -38.6949 -38.6949 -38.6940 -38.6940 -38.6940 -38.6940 -8.4755 -8.4755 -8.4752 -8.4752 0.0820 0.0820 0.1186 0.1186 1.4823 1.4823 1.6254 1.6254 1.8366 1.8367 1.9446 1.9446 7.4146 7.4146 7.4354 7.4354 8.4738 8.4738 8.5281 8.5281 k = 0.1701 0.2946 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9827 -38.9826 -38.9826 -38.9826 -38.6950 -38.6950 -38.6949 -38.6949 -38.6940 -38.6940 -38.6940 -38.6940 -8.4873 -8.4873 -8.4870 -8.4870 0.1183 0.1183 0.1540 0.1540 1.5139 1.5139 1.6530 1.6530 1.8464 1.8464 1.9513 1.9513 7.4325 7.4325 7.4539 7.4539 8.4227 8.4227 8.4759 8.4759 k = 0.1633 0.2828 0.3121 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9826 -38.9825 -38.6949 -38.6949 -38.6949 -38.6949 -38.6940 -38.6940 -38.6940 -38.6939 -8.4992 -8.4992 -8.4990 -8.4989 0.1555 0.1555 0.1904 0.1904 1.5431 1.5431 1.6750 1.6750 1.8627 1.8627 1.9612 1.9612 7.4497 7.4497 7.4716 7.4716 8.3713 8.3713 8.4230 8.4230 k = 0.1565 0.2710 0.3121 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9826 -38.9826 -38.9826 -38.9825 -38.6949 -38.6949 -38.6948 -38.6948 -38.6940 -38.6940 -38.6940 -38.6939 -8.5112 -8.5111 -8.5109 -8.5109 0.1932 0.1932 0.2274 0.2274 1.5702 1.5702 1.6924 1.6924 1.8850 1.8850 1.9742 1.9742 7.4645 7.4645 7.4871 7.4871 8.3218 8.3218 8.3717 8.3717 k = 0.1497 0.2592 0.3121 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9826 -38.9825 -38.6949 -38.6949 -38.6948 -38.6948 -38.6940 -38.6940 -38.6940 -38.6939 -8.5231 -8.5231 -8.5229 -8.5229 0.2309 0.2309 0.2645 0.2645 1.5955 1.5955 1.7067 1.7067 1.9117 1.9117 1.9901 1.9901 7.4753 7.4753 7.4983 7.4984 8.2767 8.2767 8.3243 8.3243 k = 0.1429 0.2474 0.3121 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9825 -38.9825 -38.6949 -38.6949 -38.6948 -38.6948 -38.6940 -38.6940 -38.6940 -38.6939 -8.5350 -8.5350 -8.5348 -8.5348 0.2683 0.2683 0.3013 0.3013 1.6198 1.6198 1.7199 1.7199 1.9412 1.9412 2.0086 2.0086 7.4795 7.4795 7.5028 7.5029 8.2390 8.2390 8.2838 8.2838 k = 0.1361 0.2357 0.3121 ( 5770 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9826 -38.9825 -38.9825 -38.6948 -38.6948 -38.6948 -38.6948 -38.6940 -38.6940 -38.6940 -38.6939 -8.5468 -8.5467 -8.5466 -8.5465 0.3049 0.3049 0.3374 0.3374 1.6436 1.6436 1.7336 1.7336 1.9720 1.9721 2.0290 2.0290 7.4746 7.4746 7.4978 7.4978 8.2118 8.2118 8.2533 8.2533 k = 0.1293 0.2239 0.3121 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9825 -38.9825 -38.9825 -38.6948 -38.6948 -38.6948 -38.6948 -38.6940 -38.6940 -38.6940 -38.6939 -8.5583 -8.5583 -8.5582 -8.5581 0.3403 0.3403 0.3723 0.3723 1.6676 1.6676 1.7489 1.7489 2.0033 2.0033 2.0510 2.0510 7.4581 7.4581 7.4808 7.4808 8.1980 8.1980 8.2354 8.2354 k = 0.1224 0.2121 0.3121 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9826 -38.9825 -38.9825 -38.9825 -38.6948 -38.6948 -38.6948 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.5697 -8.5697 -8.5695 -8.5695 0.3741 0.3741 0.4055 0.4055 1.6926 1.6926 1.7665 1.7665 2.0342 2.0343 2.0739 2.0739 7.4287 7.4287 7.4507 7.4507 8.1989 8.1989 8.2319 8.2319 k = 0.1156 0.2003 0.3121 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9825 -38.6948 -38.6948 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.5808 -8.5808 -8.5806 -8.5806 0.4060 0.4060 0.4367 0.4367 1.7191 1.7191 1.7868 1.7868 2.0646 2.0646 2.0975 2.0975 7.3867 7.3867 7.4079 7.4079 8.2144 8.2144 8.2429 8.2430 k = 0.1088 0.1885 0.3121 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9825 -38.9825 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.5915 -8.5915 -8.5913 -8.5913 0.4357 0.4357 0.4656 0.4656 1.7474 1.7474 1.8099 1.8100 2.0940 2.0940 2.1213 2.1213 7.3337 7.3337 7.3541 7.3541 8.2430 8.2430 8.2674 8.2674 k = 0.1020 0.1767 0.3121 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.6019 -8.6019 -8.6017 -8.6017 0.4630 0.4631 0.4919 0.4919 1.7777 1.7777 1.8359 1.8359 2.1224 2.1224 2.1450 2.1450 7.2718 7.2718 7.2916 7.2916 8.2827 8.2827 8.3035 8.3035 k = 0.0952 0.1650 0.3121 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.6118 -8.6118 -8.6116 -8.6116 0.4878 0.4878 0.5155 0.5155 1.8100 1.8100 1.8644 1.8644 2.1497 2.1497 2.1684 2.1684 7.2036 7.2037 7.2227 7.2228 8.3314 8.3314 8.3492 8.3492 k = 0.0884 0.1532 0.3121 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.6212 -8.6212 -8.6211 -8.6211 0.5100 0.5101 0.5363 0.5363 1.8442 1.8442 1.8950 1.8950 2.1758 2.1758 2.1914 2.1914 7.1313 7.1313 7.1497 7.1497 8.3874 8.3874 8.4028 8.4028 k = 0.0816 0.1414 0.3121 ( 5772 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6947 -38.6940 -38.6940 -38.6940 -38.6939 -8.6301 -8.6301 -8.6300 -8.6300 0.5297 0.5297 0.5544 0.5544 1.8797 1.8797 1.9271 1.9271 2.2009 2.2009 2.2139 2.2139 7.0566 7.0566 7.0743 7.0743 8.4495 8.4495 8.4628 8.4628 k = 0.0748 0.1296 0.3121 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6947 -38.6947 -38.6947 -38.6946 -38.6940 -38.6940 -38.6940 -38.6939 -8.6385 -8.6385 -8.6384 -8.6383 0.5469 0.5469 0.5699 0.5699 1.9160 1.9160 1.9600 1.9600 2.2250 2.2250 2.2358 2.2358 6.9813 6.9813 6.9982 6.9982 8.5165 8.5165 8.5281 8.5281 k = 0.0680 0.1178 0.3121 ( 5762 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9824 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6939 -8.6462 -8.6462 -8.6461 -8.6461 0.5618 0.5618 0.5829 0.5829 1.9524 1.9525 1.9929 1.9929 2.2482 2.2482 2.2572 2.2572 6.9069 6.9069 6.9228 6.9228 8.5875 8.5875 8.5976 8.5976 k = 0.0612 0.1060 0.3121 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6534 -8.6534 -8.6533 -8.6532 0.5745 0.5745 0.5937 0.5937 1.9881 1.9881 2.0248 2.0248 2.2706 2.2706 2.2780 2.2780 6.8347 6.8347 6.8495 6.8495 8.6617 8.6618 8.6706 8.6706 k = 0.0544 0.0943 0.3121 ( 5770 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6598 -8.6598 -8.6597 -8.6597 0.5853 0.5854 0.6025 0.6025 2.0221 2.0221 2.0549 2.0549 2.2923 2.2923 2.2982 2.2982 6.7660 6.7660 6.7796 6.7796 8.7385 8.7385 8.7463 8.7463 k = 0.0476 0.0825 0.3121 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9825 -38.9825 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6656 -8.6656 -8.6655 -8.6655 0.5944 0.5944 0.6095 0.6095 2.0537 2.0537 2.0823 2.0823 2.3132 2.3132 2.3176 2.3176 6.7020 6.7021 6.7144 6.7144 8.8172 8.8172 8.8240 8.8240 k = 0.0408 0.0707 0.3121 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6706 -8.6706 -8.6706 -8.6705 0.6020 0.6020 0.6149 0.6150 2.0821 2.0821 2.1064 2.1064 2.3330 2.3330 2.3362 2.3362 6.6440 6.6440 6.6549 6.6549 8.8971 8.8971 8.9030 8.9030 k = 0.0340 0.0589 0.3121 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9825 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6940 -8.6749 -8.6749 -8.6749 -8.6749 0.6082 0.6082 0.6190 0.6190 2.1067 2.1067 2.1267 2.1267 2.3514 2.3514 2.3534 2.3534 6.5929 6.5929 6.6022 6.6022 8.9774 8.9774 8.9825 8.9826 k = 0.0272 0.0471 0.3121 ( 5752 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9824 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6946 -38.6946 -38.6940 -38.6940 -38.6940 -38.6939 -8.6785 -8.6785 -8.6784 -8.6784 0.6133 0.6133 0.6219 0.6219 2.1272 2.1272 2.1429 2.1430 2.3678 2.3678 2.3689 2.3689 6.5498 6.5498 6.5574 6.5575 9.0576 9.0576 9.0620 9.0620 k = 0.0204 0.0353 0.3121 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6945 -38.6945 -38.6940 -38.6940 -38.6940 -38.6940 -8.6813 -8.6812 -8.6812 -8.6812 0.6173 0.6173 0.6238 0.6238 2.1435 2.1435 2.1551 2.1551 2.3814 2.3814 2.3819 2.3819 6.5156 6.5156 6.5214 6.5214 9.1366 9.1366 9.1404 9.1404 k = 0.0136 0.0236 0.3121 ( 5758 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6945 -38.6945 -38.6940 -38.6940 -38.6940 -38.6940 -8.6832 -8.6832 -8.6832 -8.6832 0.6204 0.6204 0.6247 0.6247 2.1556 2.1556 2.1632 2.1632 2.3917 2.3917 2.3918 2.3918 6.4908 6.4908 6.4947 6.4948 9.2134 9.2134 9.2165 9.2166 k = 0.0068 0.0118 0.3121 ( 5760 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6946 -38.6946 -38.6945 -38.6945 -38.6940 -38.6940 -38.6940 -38.6940 -8.6844 -8.6844 -8.6844 -8.6844 0.6226 0.6227 0.6248 0.6248 2.1635 2.1635 2.1673 2.1673 2.3981 2.3981 2.3981 2.3981 6.4762 6.4762 6.4781 6.4782 9.2850 9.2850 9.2875 9.2876 k = 0.0000 0.0000 0.3121 ( 5756 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9824 -38.9824 -38.9824 -38.9824 -38.6945 -38.6945 -38.6945 -38.6945 -38.6940 -38.6940 -38.6940 -38.6940 -8.6848 -8.6848 -8.6848 -8.6848 0.6241 0.6241 0.6241 0.6241 2.1674 2.1674 2.1674 2.1674 2.4002 2.4002 2.4002 2.4002 6.4719 6.4719 6.4719 6.4719 9.3306 9.3306 9.3307 9.3307 k = 0.5000 0.2887 0.3121 ( 5780 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6940 -8.3676 -8.3676 -8.3676 -8.3676 -0.3909 -0.3909 -0.3909 -0.3909 1.6576 1.6576 1.6576 1.6576 1.8654 1.8654 1.8654 1.8654 6.5417 6.5417 6.5417 6.5417 8.0730 8.0730 8.0730 8.0730 k = 0.5000 0.2887 0.2985 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6940 -8.3735 -8.3735 -8.3617 -8.3617 -0.4050 -0.4050 -0.3744 -0.3744 1.6275 1.6275 1.6830 1.6830 1.8362 1.8362 1.8954 1.8954 6.4924 6.4924 6.5935 6.5935 8.0374 8.0374 8.1157 8.1157 k = 0.5000 0.2887 0.2850 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9827 -38.9827 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6940 -38.6939 -8.3793 -8.3793 -8.3559 -8.3559 -0.4167 -0.4167 -0.3555 -0.3555 1.5933 1.5933 1.7011 1.7011 1.8115 1.8115 1.9241 1.9241 6.4474 6.4474 6.6456 6.6456 8.0112 8.0112 8.1633 8.1633 k = 0.5000 0.2887 0.2714 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6939 -38.6939 -8.3851 -8.3851 -8.3502 -8.3502 -0.4259 -0.4259 -0.3344 -0.3344 1.5552 1.5552 1.7055 1.7055 1.7987 1.7987 1.9506 1.9506 6.4082 6.4082 6.6954 6.6954 7.9968 7.9968 8.2139 8.2139 k = 0.5000 0.2887 0.2578 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6940 -38.6940 -38.6939 -38.6939 -8.3909 -8.3909 -8.3445 -8.3445 -0.4327 -0.4327 -0.3111 -0.3111 1.5133 1.5133 1.6930 1.6930 1.8017 1.8017 1.9742 1.9742 6.3760 6.3760 6.7404 6.7404 7.9968 7.9968 8.2653 8.2653 k = 0.5000 0.2887 0.2443 ( 5782 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.3965 -8.3965 -8.3390 -8.3390 -0.4370 -0.4370 -0.2858 -0.2858 1.4677 1.4677 1.6713 1.6713 1.8131 1.8131 1.9948 1.9948 6.3518 6.3518 6.7781 6.7781 8.0132 8.0132 8.3152 8.3152 k = 0.5000 0.2887 0.2307 ( 5786 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.4020 -8.4020 -8.3336 -8.3336 -0.4389 -0.4389 -0.2585 -0.2585 1.4189 1.4189 1.6472 1.6472 1.8260 1.8260 2.0125 2.0125 6.3362 6.3362 6.8068 6.8068 8.0476 8.0476 8.3612 8.3612 k = 0.5000 0.2887 0.2171 ( 5780 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.4074 -8.4074 -8.3283 -8.3283 -0.4384 -0.4384 -0.2295 -0.2295 1.3674 1.3674 1.6233 1.6233 1.8369 1.8369 2.0279 2.0279 6.3297 6.3297 6.8256 6.8256 8.1004 8.1004 8.4007 8.4007 k = 0.5000 0.2887 0.2036 ( 5778 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.4126 -8.4126 -8.3233 -8.3233 -0.4357 -0.4357 -0.1990 -0.1990 1.3140 1.3140 1.6005 1.6005 1.8442 1.8442 2.0417 2.0417 6.3326 6.3326 6.8350 6.8350 8.1707 8.1707 8.4307 8.4307 k = 0.5000 0.2887 0.1900 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.4176 -8.4176 -8.3185 -8.3185 -0.4307 -0.4307 -0.1671 -0.1671 1.2594 1.2594 1.5792 1.5792 1.8467 1.8467 2.0547 2.0547 6.3449 6.3449 6.8361 6.8361 8.2567 8.2567 8.4487 8.4487 k = 0.5000 0.2887 0.1764 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.4223 -8.4223 -8.3139 -8.3139 -0.4238 -0.4238 -0.1342 -0.1342 1.2043 1.2043 1.5594 1.5594 1.8437 1.8437 2.0675 2.0675 6.3665 6.3665 6.8307 6.8307 8.3540 8.3540 8.4541 8.4541 k = 0.5000 0.2887 0.1628 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9827 -38.9827 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.4268 -8.4268 -8.3096 -8.3096 -0.4150 -0.4150 -0.1005 -0.1005 1.1493 1.1493 1.5411 1.5411 1.8354 1.8354 2.0805 2.0805 6.3971 6.3971 6.8204 6.8204 8.4186 8.4186 8.4872 8.4872 k = 0.5000 0.2887 0.1493 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.4311 -8.4311 -8.3055 -8.3055 -0.4045 -0.4045 -0.0664 -0.0664 1.0952 1.0952 1.5243 1.5243 1.8219 1.8219 2.0938 2.0938 6.4363 6.4363 6.8069 6.8069 8.3947 8.3947 8.6013 8.6013 k = 0.5000 0.2887 0.1357 ( 5780 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.4350 -8.4350 -8.3018 -8.3018 -0.3926 -0.3926 -0.0324 -0.0324 1.0425 1.0425 1.5091 1.5091 1.8041 1.8041 2.1072 2.1072 6.4837 6.4837 6.7915 6.7915 8.3469 8.3469 8.7311 8.7311 k = 0.5000 0.2887 0.1221 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6951 -38.6951 -38.6941 -38.6941 -38.6939 -38.6939 -8.4386 -8.4386 -8.2983 -8.2983 -0.3797 -0.3797 0.0012 0.0012 0.9918 0.9918 1.4954 1.4954 1.7830 1.7830 2.1203 2.1203 6.5387 6.5387 6.7753 6.7753 8.2837 8.2837 8.8684 8.8684 k = 0.5000 0.2887 0.1086 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6941 -38.6941 -38.6939 -38.6939 -8.4419 -8.4419 -8.2952 -8.2952 -0.3660 -0.3660 0.0338 0.0338 0.9438 0.9438 1.4832 1.4832 1.7596 1.7596 2.1330 2.1330 6.6004 6.6004 6.7592 6.7592 8.2084 8.2084 9.0113 9.0113 k = 0.5000 0.2887 0.0950 ( 5766 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6941 -38.6941 -38.6939 -38.6939 -8.4449 -8.4449 -8.2924 -8.2924 -0.3519 -0.3519 0.0648 0.0648 0.8992 0.8992 1.4725 1.4725 1.7351 1.7351 2.1448 2.1448 6.6681 6.6681 6.7439 6.7439 8.1241 8.1241 9.1581 9.1581 k = 0.5000 0.2887 0.0814 ( 5774 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6939 -38.6939 -8.4475 -8.4475 -8.2900 -8.2900 -0.3381 -0.3381 0.0936 0.0936 0.8585 0.8585 1.4633 1.4633 1.7106 1.7106 2.1555 2.1555 6.7283 6.7283 6.7424 6.7424 8.0338 8.0338 9.3073 9.3073 k = 0.5000 0.2887 0.0679 ( 5776 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6939 -38.6939 -8.4497 -8.4497 -8.2879 -8.2879 -0.3249 -0.3249 0.1195 0.1195 0.8225 0.8225 1.4557 1.4557 1.6873 1.6873 2.1649 2.1649 6.7169 6.7169 6.8179 6.8179 7.9403 7.9403 9.3660 9.3660 k = 0.5000 0.2887 0.0543 ( 5760 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6938 -38.6938 -8.4515 -8.4515 -8.2862 -8.2862 -0.3130 -0.3130 0.1419 0.1419 0.7920 0.7920 1.4496 1.4496 1.6663 1.6663 2.1729 2.1729 6.7064 6.7064 6.8963 6.8963 7.8467 7.8467 9.3362 9.3362 k = 0.5000 0.2887 0.0407 ( 5764 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6938 -38.6938 -8.4529 -8.4529 -8.2849 -8.2849 -0.3030 -0.3030 0.1601 0.1601 0.7674 0.7674 1.4449 1.4449 1.6486 1.6486 2.1792 2.1792 6.6980 6.6980 6.9735 6.9735 7.7567 7.7567 9.3125 9.3125 k = 0.5000 0.2887 0.0271 ( 5762 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6938 -38.6938 -8.4539 -8.4539 -8.2839 -8.2839 -0.2953 -0.2953 0.1735 0.1735 0.7494 0.7494 1.4416 1.4416 1.6353 1.6353 2.1838 2.1838 6.6918 6.6918 7.0442 7.0442 7.6766 7.6766 9.2955 9.2955 k = 0.5000 0.2887 0.0136 ( 5764 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6938 -38.6938 -8.4545 -8.4545 -8.2833 -8.2833 -0.2905 -0.2905 0.1817 0.1817 0.7384 0.7384 1.4397 1.4397 1.6269 1.6269 2.1865 2.1865 6.6881 6.6881 7.0981 7.0981 7.6169 7.6169 9.2852 9.2852 k = 0.5000 0.2887-0.0000 ( 5768 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9826 -38.9826 -38.6951 -38.6951 -38.6950 -38.6950 -38.6942 -38.6942 -38.6938 -38.6938 -8.4547 -8.4547 -8.2831 -8.2831 -0.2889 -0.2889 0.1845 0.1845 0.7347 0.7347 1.4391 1.4391 1.6241 1.6241 2.1875 2.1875 6.6869 6.6869 7.1193 7.1193 7.5937 7.5937 9.2818 9.2818 k = 0.3333 0.5774-0.0000 ( 5784 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3300 -8.3293 -8.3292 -8.3292 0.1724 0.2510 0.3091 0.3091 0.3690 0.3690 1.2048 1.2103 1.2103 1.3086 1.4053 1.4053 6.9735 6.9735 8.9232 9.0232 9.1092 9.1092 9.2420 9.2420 k = 0.3333 0.5774 0.0136 ( 5778 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3300 -8.3293 -8.3292 -8.3291 0.1697 0.2475 0.3089 0.3089 0.3664 0.3664 1.2096 1.2137 1.2137 1.3126 1.4055 1.4055 6.9773 6.9773 8.9122 9.0106 9.0937 9.0937 9.2417 9.2417 k = 0.3333 0.5774 0.0271 ( 5772 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3299 -8.3293 -8.3291 -8.3291 0.1618 0.2374 0.3075 0.3075 0.3597 0.3597 1.2229 1.2229 1.2238 1.3244 1.4064 1.4064 6.9886 6.9886 8.8800 8.9740 9.0497 9.0497 9.2406 9.2406 k = 0.3333 0.5774 0.0407 ( 5787 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3298 -8.3292 -8.3290 -8.3290 0.1492 0.2213 0.3020 0.3020 0.3525 0.3525 1.2357 1.2357 1.2466 1.3436 1.4097 1.4097 7.0074 7.0074 8.8290 8.9169 8.9828 8.9828 9.2386 9.2386 k = 0.3333 0.5774 0.0543 ( 5787 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3297 -8.3291 -8.3289 -8.3289 0.1324 0.2003 0.2886 0.2887 0.3498 0.3498 1.2480 1.2480 1.2769 1.3694 1.4181 1.4181 7.0335 7.0335 8.7623 8.8434 8.8993 8.8993 9.2355 9.2355 k = 0.3333 0.5774 0.0679 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3296 -8.3290 -8.3288 -8.3288 0.1122 0.1753 0.2674 0.2674 0.3529 0.3529 1.2553 1.2554 1.3136 1.4010 1.4351 1.4351 7.0668 7.0668 8.6835 8.7578 8.8043 8.8043 9.2310 9.2310 k = 0.3333 0.5774 0.0814 ( 5769 PWs) bands (ev): -72.0405 -72.0405 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9826 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3294 -8.3288 -8.3286 -8.3286 0.0894 0.1476 0.2410 0.2410 0.3600 0.3600 1.2549 1.2549 1.3553 1.4373 1.4621 1.4621 7.1071 7.1071 8.5958 8.6637 8.7020 8.7020 9.2250 9.2250 k = 0.3333 0.5774 0.0950 ( 5781 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6950 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3292 -8.3287 -8.3285 -8.3285 0.0648 0.1181 0.2118 0.2118 0.3699 0.3699 1.2469 1.2469 1.4010 1.4775 1.4981 1.4981 7.1541 7.1541 8.5022 8.5642 8.5955 8.5955 9.2172 9.2172 k = 0.3333 0.5774 0.1086 ( 5799 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6951 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3290 -8.3285 -8.3283 -8.3283 0.0392 0.0876 0.1812 0.1812 0.3820 0.3820 1.2327 1.2327 1.4494 1.5205 1.5405 1.5405 7.2075 7.2075 8.4052 8.4619 8.4871 8.4871 9.2072 9.2072 k = 0.3333 0.5774 0.1221 ( 5799 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6952 -38.6952 -38.6951 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3288 -8.3283 -8.3281 -8.3281 0.0131 0.0568 0.1503 0.1503 0.3961 0.3961 1.2138 1.2139 1.4997 1.5656 1.5870 1.5870 7.2671 7.2671 8.3068 8.3586 8.3788 8.3788 9.1946 9.1946 k = 0.3333 0.5774 0.1357 ( 5799 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6953 -38.6952 -38.6951 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3286 -8.3281 -8.3278 -8.3278 -0.0130 0.0265 0.1196 0.1196 0.4119 0.4119 1.1916 1.1916 1.5510 1.6117 1.6359 1.6359 7.3325 7.3325 8.2089 8.2563 8.2721 8.2721 9.1789 9.1789 k = 0.3333 0.5774 0.1493 ( 5799 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9827 -38.9827 -38.9827 -38.6953 -38.6952 -38.6951 -38.6950 -38.6942 -38.6940 -38.6940 -38.6940 -8.3283 -8.3279 -8.3276 -8.3276 -0.0384 -0.0031 0.0899 0.0899 0.4294 0.4294 1.1666 1.1666 1.6024 1.6581 1.6857 1.6857 7.4032 7.4032 8.1129 8.1561 8.1683 8.1683 9.1596 9.1596 k = 0.3333 0.5774 0.1628 ( 5811 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9829 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6951 -38.6951 -38.6942 -38.6941 -38.6940 -38.6940 -8.3281 -8.3276 -8.3274 -8.3274 -0.0629 -0.0314 0.0615 0.0615 0.4483 0.4483 1.1395 1.1395 1.6533 1.7041 1.7354 1.7354 7.4790 7.4790 8.0201 8.0595 8.0686 8.0686 9.1361 9.1361 k = 0.3333 0.5774 0.1764 ( 5811 PWs) bands (ev): -72.0406 -72.0406 -72.0406 -72.0406 -38.9829 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6951 -38.6950 -38.6942 -38.6941 -38.6940 -38.6940 -8.3278 -8.3274 -8.3272 -8.3272 -0.0860 -0.0581 0.0347 0.0347 0.4688 0.4688 1.1107 1.1107 1.7027 1.7488 1.7841 1.7841 7.5592 7.5592 7.9317 7.9673 7.9740 7.9740 9.1078 9.1078 k = 0.3333 0.5774 0.1900 ( 5805 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9829 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6951 -38.6950 -38.6942 -38.6941 -38.6940 -38.6940 -8.3276 -8.3272 -8.3269 -8.3269 -0.1076 -0.0830 0.0098 0.0098 0.4905 0.4905 1.0807 1.0807 1.7502 1.7916 1.8309 1.8309 7.6433 7.6433 7.8487 7.8807 7.8854 7.8854 9.0740 9.0740 k = 0.3333 0.5774 0.2036 ( 5793 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9827 -38.6953 -38.6953 -38.6951 -38.6950 -38.6941 -38.6940 -38.6940 -38.6940 -8.3273 -8.3270 -8.3267 -8.3267 -0.1273 -0.1059 -0.0129 -0.0129 0.5135 0.5135 1.0498 1.0498 1.7951 1.8318 1.8750 1.8750 7.7302 7.7302 7.7720 7.8005 7.8046 7.8046 9.0343 9.0343 k = 0.3333 0.5774 0.2171 ( 5781 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9827 -38.6953 -38.6952 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6940 -8.3271 -8.3268 -8.3265 -8.3265 -0.1450 -0.1266 -0.0333 -0.0333 0.5374 0.5374 1.0183 1.0183 1.8366 1.8688 1.9159 1.9159 7.7024 7.7274 7.7276 7.7277 7.8236 7.8236 8.9883 8.9883 k = 0.3333 0.5774 0.2307 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3269 -8.3267 -8.3264 -8.3263 -0.1605 -0.1450 -0.0512 -0.0512 0.5621 0.5621 0.9868 0.9868 1.8743 1.9020 1.9527 1.9527 7.6407 7.6622 7.6623 7.6623 7.9160 7.9160 8.9355 8.9355 k = 0.3333 0.5774 0.2443 ( 5784 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9827 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6940 -38.6940 -38.6939 -8.3268 -8.3265 -8.3262 -8.3262 -0.1736 -0.1608 -0.0666 -0.0666 0.5873 0.5873 0.9556 0.9556 1.9077 1.9307 1.9850 1.9851 7.5876 7.6054 7.6054 7.6056 8.0105 8.0105 8.8760 8.8760 k = 0.3333 0.5774 0.2578 ( 5787 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3266 -8.3264 -8.3261 -8.3261 -0.1842 -0.1742 -0.0793 -0.0793 0.6124 0.6124 0.9255 0.9255 1.9361 1.9545 2.0123 2.0123 7.5436 7.5579 7.5579 7.5581 8.1061 8.1061 8.8099 8.8099 k = 0.3333 0.5774 0.2714 ( 5787 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3265 -8.3263 -8.3260 -8.3260 -0.1924 -0.1849 -0.0892 -0.0892 0.6364 0.6364 0.8974 0.8974 1.9592 1.9730 2.0339 2.0340 7.5093 7.5202 7.5204 7.5204 8.2016 8.2016 8.7377 8.7377 k = 0.3333 0.5774 0.2850 ( 5781 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3264 -8.3263 -8.3259 -8.3259 -0.1979 -0.1929 -0.0963 -0.0963 0.6577 0.6577 0.8732 0.8732 1.9766 1.9859 2.0497 2.0497 7.4850 7.4923 7.4933 7.4933 8.2959 8.2959 8.6601 8.6601 k = 0.3333 0.5774 0.2985 ( 5775 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9826 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6939 -8.3263 -8.3263 -8.3258 -8.3258 -0.2007 -0.1982 -0.1006 -0.1006 0.6734 0.6734 0.8557 0.8557 1.9881 1.9927 2.0593 2.0593 7.4710 7.4747 7.4770 7.4770 8.3865 8.3865 8.5797 8.5797 k = 0.3333 0.5774 0.3121 ( 5790 PWs) bands (ev): -72.0406 -72.0406 -72.0405 -72.0405 -38.9828 -38.9828 -38.9827 -38.9827 -38.6953 -38.6953 -38.6950 -38.6950 -38.6941 -38.6941 -38.6940 -38.6940 -8.3263 -8.3263 -8.3258 -8.3258 -0.2008 -0.2008 -0.1021 -0.1021 0.6794 0.6794 0.8491 0.8491 1.9935 1.9935 2.0625 2.0625 7.4675 7.4675 7.4715 7.4715 8.4490 8.4490 8.5205 8.5205 Writing output data file MgSe.save init_run : 2.33s CPU 11.57s WALL ( 1 calls) electrons : 312.54s CPU 317.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.35s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 312.52s CPU 317.56s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.94s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.08s CPU 0.58s WALL ( 1 calls) newd : 0.41s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.05s WALL ( 310 calls) cegterg : 293.04s CPU 295.40s WALL ( 590 calls) Called by sum_band: Called by *egterg: h_psi : 158.11s CPU 163.86s WALL ( 9704 calls) s_psi : 4.51s CPU 4.89s WALL ( 9704 calls) g_psi : 0.44s CPU 0.46s WALL ( 8804 calls) cdiaghg : 84.38s CPU 82.99s WALL ( 9114 calls) cegterg:over : 27.69s CPU 25.41s WALL ( 8804 calls) cegterg:upda : 5.15s CPU 7.57s WALL ( 8804 calls) cegterg:last : 4.92s CPU 5.58s WALL ( 1520 calls) Called by h_psi: h_psi:vloc : 143.78s CPU 148.48s WALL ( 9704 calls) h_psi:vnl : 14.19s CPU 14.89s WALL ( 9704 calls) add_vuspsi : 2.11s CPU 4.23s WALL ( 9704 calls) General routines calbec : 12.05s CPU 10.57s WALL ( 9704 calls) fft : 0.33s CPU 1.27s WALL ( 19 calls) ffts : 0.08s CPU 0.09s WALL ( 4 calls) fftw : 137.20s CPU 139.90s WALL ( 687300 calls) interpolate : 0.13s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 0.90s WALL ( 620 calls) Parallel routines fft_scatter : 86.83s CPU 88.45s WALL ( 687323 calls) PWSCF : 6m 0.09s CPU 7m 9.24s WALL This run was terminated on: 14:59:19 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=