Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:26:16 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 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: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 19 5 1706 749 117 Max 33 20 6 1717 771 126 Sum 1177 685 199 61531 27311 4383 bravais-lattice index = 14 lattice parameter (alat) = 7.2754 a.u. unit-cell volume = 625.4402 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.275445 celldm(2)= 1.000000 celldm(3)= 1.875325 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 1.875325 ) 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 0.533241 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found (note: 4 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 = 2 180 deg rotation - cryst. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 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 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cryst. axis [1,1,0] -C2 -2 180 deg rotation - cryst. axis [1,1,0] E Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0029674 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0029674 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0029674 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0029674 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0029674 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0029674 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0029674 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0029674 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0029674 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0029674 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0029674 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0029674 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0029674 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0029674 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0029674 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0029674 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0029674 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0029674 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0029674 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0029674 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0029674 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0029674 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0029674 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0029674 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0029674 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0029674 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0029674 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0029674 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0029674 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0029674 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0029674 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0029674 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0029674 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0029674 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0029674 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0029674 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0029674 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0029674 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0029674 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0029674 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0029674 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0029674 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0029674 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0029674 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0029674 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0029674 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0029674 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0029674 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0029674 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0029674 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0029674 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0029674 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0029674 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0029674 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0029674 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0029674 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0029674 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0029674 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0029674 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029674 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0029674 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0029674 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0029674 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0029674 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0029674 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0029674 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0029674 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0029674 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0029674 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0029674 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0029674 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0029674 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0029674 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 80) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0029674 k( 81) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0029674 k( 82) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0029674 k( 83) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0029674 k( 84) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0029674 k( 85) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0029674 k( 86) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0029674 k( 87) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0029674 k( 88) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0029674 k( 89) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0029674 k( 90) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0029674 k( 91) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0029674 k( 92) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0029674 k( 93) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0029674 k( 94) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0029674 k( 95) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0029674 k( 96) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0029674 k( 97) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0029674 k( 98) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0029674 k( 99) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0029674 k( 100) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0029674 k( 101) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0029674 k( 102) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0029674 k( 103) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0029674 k( 104) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0029674 k( 105) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0029674 k( 106) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0029674 k( 107) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0029674 k( 108) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0029674 k( 109) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0029674 k( 110) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0029674 k( 111) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0029674 k( 112) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0029674 k( 113) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0029674 k( 114) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0029674 k( 115) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0029674 k( 116) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0029674 k( 117) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0029674 k( 118) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0029674 k( 119) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0029674 k( 120) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0029674 k( 121) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0029674 k( 122) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0029674 k( 123) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0029674 k( 124) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0029674 k( 125) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0029674 k( 126) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0029674 k( 127) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0029674 k( 128) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0029674 k( 129) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0029674 k( 130) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0029674 k( 131) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0029674 k( 132) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0029674 k( 133) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0029674 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.0121191), wk = 0.0029674 k( 137) = ( 0.0000000 0.0000000 0.0242382), wk = 0.0029674 k( 138) = ( 0.0000000 0.0000000 0.0363573), wk = 0.0029674 k( 139) = ( 0.0000000 0.0000000 0.0484765), wk = 0.0029674 k( 140) = ( 0.0000000 0.0000000 0.0605956), wk = 0.0029674 k( 141) = ( 0.0000000 0.0000000 0.0727147), wk = 0.0029674 k( 142) = ( 0.0000000 0.0000000 0.0848338), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.0969529), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.1090720), wk = 0.0029674 k( 145) = ( 0.0000000 0.0000000 0.1211911), wk = 0.0029674 k( 146) = ( 0.0000000 0.0000000 0.1333102), wk = 0.0029674 k( 147) = ( 0.0000000 0.0000000 0.1454294), wk = 0.0029674 k( 148) = ( 0.0000000 0.0000000 0.1575485), wk = 0.0029674 k( 149) = ( 0.0000000 0.0000000 0.1696676), wk = 0.0029674 k( 150) = ( 0.0000000 0.0000000 0.1817867), wk = 0.0029674 k( 151) = ( 0.0000000 0.0000000 0.1939058), wk = 0.0029674 k( 152) = ( 0.0000000 0.0000000 0.2060249), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.2181440), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.2302632), wk = 0.0029674 k( 155) = ( 0.0000000 0.0000000 0.2423823), wk = 0.0029674 k( 156) = ( 0.0000000 0.0000000 0.2545014), wk = 0.0029674 k( 157) = ( 0.0000000 0.0000000 0.2666205), wk = 0.0029674 k( 158) = ( 0.0000000 0.0000000 0.2666205), wk = 0.0029674 k( 159) = ( 0.0104167 0.0060141 0.2666205), wk = 0.0029674 k( 160) = ( 0.0208333 0.0120281 0.2666205), wk = 0.0029674 k( 161) = ( 0.0312500 0.0180422 0.2666205), wk = 0.0029674 k( 162) = ( 0.0416667 0.0240563 0.2666205), wk = 0.0029674 k( 163) = ( 0.0520833 0.0300703 0.2666205), wk = 0.0029674 k( 164) = ( 0.0625000 0.0360844 0.2666205), wk = 0.0029674 k( 165) = ( 0.0729167 0.0420985 0.2666205), wk = 0.0029674 k( 166) = ( 0.0833333 0.0481125 0.2666205), wk = 0.0029674 k( 167) = ( 0.0937500 0.0541266 0.2666205), wk = 0.0029674 k( 168) = ( 0.1041667 0.0601407 0.2666205), wk = 0.0029674 k( 169) = ( 0.1145833 0.0661547 0.2666205), wk = 0.0029674 k( 170) = ( 0.1250000 0.0721688 0.2666205), wk = 0.0029674 k( 171) = ( 0.1354167 0.0781829 0.2666205), wk = 0.0029674 k( 172) = ( 0.1458333 0.0841969 0.2666205), wk = 0.0029674 k( 173) = ( 0.1562500 0.0902110 0.2666205), wk = 0.0029674 k( 174) = ( 0.1666667 0.0962250 0.2666205), wk = 0.0029674 k( 175) = ( 0.1770833 0.1022391 0.2666205), wk = 0.0029674 k( 176) = ( 0.1875000 0.1082532 0.2666205), wk = 0.0029674 k( 177) = ( 0.1979167 0.1142672 0.2666205), wk = 0.0029674 k( 178) = ( 0.2083333 0.1202813 0.2666205), wk = 0.0029674 k( 179) = ( 0.2187500 0.1262954 0.2666205), wk = 0.0029674 k( 180) = ( 0.2291667 0.1323094 0.2666205), wk = 0.0029674 k( 181) = ( 0.2395833 0.1383235 0.2666205), wk = 0.0029674 k( 182) = ( 0.2500000 0.1443376 0.2666205), wk = 0.0029674 k( 183) = ( 0.2604167 0.1503516 0.2666205), wk = 0.0029674 k( 184) = ( 0.2708333 0.1563657 0.2666205), wk = 0.0029674 k( 185) = ( 0.2812500 0.1623798 0.2666205), wk = 0.0029674 k( 186) = ( 0.2916667 0.1683938 0.2666205), wk = 0.0029674 k( 187) = ( 0.3020833 0.1744079 0.2666205), wk = 0.0029674 k( 188) = ( 0.3125000 0.1804220 0.2666205), wk = 0.0029674 k( 189) = ( 0.3229167 0.1864360 0.2666205), wk = 0.0029674 k( 190) = ( 0.3333333 0.1924501 0.2666205), wk = 0.0029674 k( 191) = ( 0.3437500 0.1984642 0.2666205), wk = 0.0029674 k( 192) = ( 0.3541667 0.2044782 0.2666205), wk = 0.0029674 k( 193) = ( 0.3645833 0.2104923 0.2666205), wk = 0.0029674 k( 194) = ( 0.3750000 0.2165064 0.2666205), wk = 0.0029674 k( 195) = ( 0.3854167 0.2225204 0.2666205), wk = 0.0029674 k( 196) = ( 0.3958333 0.2285345 0.2666205), wk = 0.0029674 k( 197) = ( 0.4062500 0.2345485 0.2666205), wk = 0.0029674 k( 198) = ( 0.4166667 0.2405626 0.2666205), wk = 0.0029674 k( 199) = ( 0.4270833 0.2465767 0.2666205), wk = 0.0029674 k( 200) = ( 0.4375000 0.2525907 0.2666205), wk = 0.0029674 k( 201) = ( 0.4479167 0.2586048 0.2666205), wk = 0.0029674 k( 202) = ( 0.4583333 0.2646189 0.2666205), wk = 0.0029674 k( 203) = ( 0.4687500 0.2706329 0.2666205), wk = 0.0029674 k( 204) = ( 0.4791667 0.2766470 0.2666205), wk = 0.0029674 k( 205) = ( 0.4895833 0.2826611 0.2666205), wk = 0.0029674 k( 206) = ( 0.5000000 0.2886751 0.2666205), wk = 0.0029674 k( 207) = ( 0.5000000 0.2886751 0.2666205), wk = 0.0029674 k( 208) = ( 0.4940476 0.2989850 0.2666205), wk = 0.0029674 k( 209) = ( 0.4880952 0.3092948 0.2666205), wk = 0.0029674 k( 210) = ( 0.4821429 0.3196046 0.2666205), wk = 0.0029674 k( 211) = ( 0.4761905 0.3299144 0.2666205), wk = 0.0029674 k( 212) = ( 0.4702381 0.3402243 0.2666205), wk = 0.0029674 k( 213) = ( 0.4642857 0.3505341 0.2666205), wk = 0.0029674 k( 214) = ( 0.4583333 0.3608439 0.2666205), wk = 0.0029674 k( 215) = ( 0.4523810 0.3711537 0.2666205), wk = 0.0029674 k( 216) = ( 0.4464286 0.3814636 0.2666205), wk = 0.0029674 k( 217) = ( 0.4404762 0.3917734 0.2666205), wk = 0.0029674 k( 218) = ( 0.4345238 0.4020832 0.2666205), wk = 0.0029674 k( 219) = ( 0.4285714 0.4123930 0.2666205), wk = 0.0029674 k( 220) = ( 0.4226190 0.4227029 0.2666205), wk = 0.0029674 k( 221) = ( 0.4166667 0.4330127 0.2666205), wk = 0.0029674 k( 222) = ( 0.4107143 0.4433225 0.2666205), wk = 0.0029674 k( 223) = ( 0.4047619 0.4536324 0.2666205), wk = 0.0029674 k( 224) = ( 0.3988095 0.4639422 0.2666205), wk = 0.0029674 k( 225) = ( 0.3928571 0.4742520 0.2666205), wk = 0.0029674 k( 226) = ( 0.3869048 0.4845618 0.2666205), wk = 0.0029674 k( 227) = ( 0.3809524 0.4948717 0.2666205), wk = 0.0029674 k( 228) = ( 0.3750000 0.5051815 0.2666205), wk = 0.0029674 k( 229) = ( 0.3690476 0.5154913 0.2666205), wk = 0.0029674 k( 230) = ( 0.3630952 0.5258011 0.2666205), wk = 0.0029674 k( 231) = ( 0.3571429 0.5361110 0.2666205), wk = 0.0029674 k( 232) = ( 0.3511905 0.5464208 0.2666205), wk = 0.0029674 k( 233) = ( 0.3452381 0.5567306 0.2666205), wk = 0.0029674 k( 234) = ( 0.3392857 0.5670404 0.2666205), wk = 0.0029674 k( 235) = ( 0.3333333 0.5773503 0.2666205), wk = 0.0029674 k( 236) = ( 0.3333333 0.5773503 0.2666205), wk = 0.0029674 k( 237) = ( 0.3272727 0.5668530 0.2666205), wk = 0.0029674 k( 238) = ( 0.3212121 0.5563557 0.2666205), wk = 0.0029674 k( 239) = ( 0.3151515 0.5458584 0.2666205), wk = 0.0029674 k( 240) = ( 0.3090909 0.5353612 0.2666205), wk = 0.0029674 k( 241) = ( 0.3030303 0.5248639 0.2666205), wk = 0.0029674 k( 242) = ( 0.2969697 0.5143666 0.2666205), wk = 0.0029674 k( 243) = ( 0.2909091 0.5038693 0.2666205), wk = 0.0029674 k( 244) = ( 0.2848485 0.4933720 0.2666205), wk = 0.0029674 k( 245) = ( 0.2787879 0.4828748 0.2666205), wk = 0.0029674 k( 246) = ( 0.2727273 0.4723775 0.2666205), wk = 0.0029674 k( 247) = ( 0.2666667 0.4618802 0.2666205), wk = 0.0029674 k( 248) = ( 0.2606061 0.4513829 0.2666205), wk = 0.0029674 k( 249) = ( 0.2545455 0.4408857 0.2666205), wk = 0.0029674 k( 250) = ( 0.2484849 0.4303884 0.2666205), wk = 0.0029674 k( 251) = ( 0.2424242 0.4198911 0.2666205), wk = 0.0029674 k( 252) = ( 0.2363636 0.4093938 0.2666205), wk = 0.0029674 k( 253) = ( 0.2303030 0.3988965 0.2666205), wk = 0.0029674 k( 254) = ( 0.2242424 0.3883993 0.2666205), wk = 0.0029674 k( 255) = ( 0.2181818 0.3779020 0.2666205), wk = 0.0029674 k( 256) = ( 0.2121212 0.3674047 0.2666205), wk = 0.0029674 k( 257) = ( 0.2060606 0.3569074 0.2666205), wk = 0.0029674 k( 258) = ( 0.2000000 0.3464102 0.2666205), wk = 0.0029674 k( 259) = ( 0.1939394 0.3359129 0.2666205), wk = 0.0029674 k( 260) = ( 0.1878788 0.3254156 0.2666205), wk = 0.0029674 k( 261) = ( 0.1818182 0.3149183 0.2666205), wk = 0.0029674 k( 262) = ( 0.1757576 0.3044211 0.2666205), wk = 0.0029674 k( 263) = ( 0.1696970 0.2939238 0.2666205), wk = 0.0029674 k( 264) = ( 0.1636364 0.2834265 0.2666205), wk = 0.0029674 k( 265) = ( 0.1575758 0.2729292 0.2666205), wk = 0.0029674 k( 266) = ( 0.1515151 0.2624319 0.2666205), wk = 0.0029674 k( 267) = ( 0.1454545 0.2519347 0.2666205), wk = 0.0029674 k( 268) = ( 0.1393939 0.2414374 0.2666205), wk = 0.0029674 k( 269) = ( 0.1333333 0.2309401 0.2666205), wk = 0.0029674 k( 270) = ( 0.1272727 0.2204428 0.2666205), wk = 0.0029674 k( 271) = ( 0.1212121 0.2099456 0.2666205), wk = 0.0029674 k( 272) = ( 0.1151515 0.1994483 0.2666205), wk = 0.0029674 k( 273) = ( 0.1090909 0.1889510 0.2666205), wk = 0.0029674 k( 274) = ( 0.1030303 0.1784537 0.2666205), wk = 0.0029674 k( 275) = ( 0.0969697 0.1679564 0.2666205), wk = 0.0029674 k( 276) = ( 0.0909091 0.1574592 0.2666205), wk = 0.0029674 k( 277) = ( 0.0848485 0.1469619 0.2666205), wk = 0.0029674 k( 278) = ( 0.0787879 0.1364646 0.2666205), wk = 0.0029674 k( 279) = ( 0.0727273 0.1259673 0.2666205), wk = 0.0029674 k( 280) = ( 0.0666667 0.1154701 0.2666205), wk = 0.0029674 k( 281) = ( 0.0606061 0.1049728 0.2666205), wk = 0.0029674 k( 282) = ( 0.0545455 0.0944755 0.2666205), wk = 0.0029674 k( 283) = ( 0.0484849 0.0839782 0.2666205), wk = 0.0029674 k( 284) = ( 0.0424242 0.0734809 0.2666205), wk = 0.0029674 k( 285) = ( 0.0363636 0.0629837 0.2666205), wk = 0.0029674 k( 286) = ( 0.0303030 0.0524864 0.2666205), wk = 0.0029674 k( 287) = ( 0.0242424 0.0419891 0.2666205), wk = 0.0029674 k( 288) = ( 0.0181818 0.0314918 0.2666205), wk = 0.0029674 k( 289) = ( 0.0121212 0.0209946 0.2666205), wk = 0.0029674 k( 290) = ( 0.0060606 0.0104973 0.2666205), wk = 0.0029674 k( 291) = ( 0.0000000 0.0000000 0.2666205), wk = 0.0029674 k( 292) = ( 0.5000000 0.2886751 0.2666205), wk = 0.0029674 k( 293) = ( 0.5000000 0.2886751 0.2545014), wk = 0.0029674 k( 294) = ( 0.5000000 0.2886751 0.2423823), wk = 0.0029674 k( 295) = ( 0.5000000 0.2886751 0.2302632), wk = 0.0029674 k( 296) = ( 0.5000000 0.2886751 0.2181440), wk = 0.0029674 k( 297) = ( 0.5000000 0.2886751 0.2060249), wk = 0.0029674 k( 298) = ( 0.5000000 0.2886751 0.1939058), wk = 0.0029674 k( 299) = ( 0.5000000 0.2886751 0.1817867), wk = 0.0029674 k( 300) = ( 0.5000000 0.2886751 0.1696676), wk = 0.0029674 k( 301) = ( 0.5000000 0.2886751 0.1575485), wk = 0.0029674 k( 302) = ( 0.5000000 0.2886751 0.1454294), wk = 0.0029674 k( 303) = ( 0.5000000 0.2886751 0.1333102), wk = 0.0029674 k( 304) = ( 0.5000000 0.2886751 0.1211911), wk = 0.0029674 k( 305) = ( 0.5000000 0.2886751 0.1090720), wk = 0.0029674 k( 306) = ( 0.5000000 0.2886751 0.0969529), wk = 0.0029674 k( 307) = ( 0.5000000 0.2886751 0.0848338), wk = 0.0029674 k( 308) = ( 0.5000000 0.2886751 0.0727147), wk = 0.0029674 k( 309) = ( 0.5000000 0.2886751 0.0605956), wk = 0.0029674 k( 310) = ( 0.5000000 0.2886751 0.0484765), wk = 0.0029674 k( 311) = ( 0.5000000 0.2886751 0.0363573), wk = 0.0029674 k( 312) = ( 0.5000000 0.2886751 0.0242382), wk = 0.0029674 k( 313) = ( 0.5000000 0.2886751 0.0121191), wk = 0.0029674 k( 314) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 315) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 316) = ( 0.3333333 0.5773503 0.0121191), wk = 0.0029674 k( 317) = ( 0.3333333 0.5773503 0.0242382), wk = 0.0029674 k( 318) = ( 0.3333333 0.5773503 0.0363573), wk = 0.0029674 k( 319) = ( 0.3333333 0.5773503 0.0484765), wk = 0.0029674 k( 320) = ( 0.3333333 0.5773503 0.0605956), wk = 0.0029674 k( 321) = ( 0.3333333 0.5773503 0.0727147), wk = 0.0029674 k( 322) = ( 0.3333333 0.5773503 0.0848338), wk = 0.0029674 k( 323) = ( 0.3333333 0.5773503 0.0969529), wk = 0.0029674 k( 324) = ( 0.3333333 0.5773503 0.1090720), wk = 0.0029674 k( 325) = ( 0.3333333 0.5773503 0.1211911), wk = 0.0029674 k( 326) = ( 0.3333333 0.5773503 0.1333102), wk = 0.0029674 k( 327) = ( 0.3333333 0.5773503 0.1454294), wk = 0.0029674 k( 328) = ( 0.3333333 0.5773503 0.1575485), wk = 0.0029674 k( 329) = ( 0.3333333 0.5773503 0.1696676), wk = 0.0029674 k( 330) = ( 0.3333333 0.5773503 0.1817867), wk = 0.0029674 k( 331) = ( 0.3333333 0.5773503 0.1939058), wk = 0.0029674 k( 332) = ( 0.3333333 0.5773503 0.2060249), wk = 0.0029674 k( 333) = ( 0.3333333 0.5773503 0.2181440), wk = 0.0029674 k( 334) = ( 0.3333333 0.5773503 0.2302632), wk = 0.0029674 k( 335) = ( 0.3333333 0.5773503 0.2423823), wk = 0.0029674 k( 336) = ( 0.3333333 0.5773503 0.2545014), wk = 0.0029674 k( 337) = ( 0.3333333 0.5773503 0.2666205), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0104167 -0.0000000 -0.0000000), wk = 0.0029674 k( 3) = ( 0.0208333 -0.0000000 -0.0000000), wk = 0.0029674 k( 4) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0029674 k( 5) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0520833 0.0000000 -0.0000000), wk = 0.0029674 k( 7) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0029674 k( 8) = ( 0.0729167 0.0000000 -0.0000000), wk = 0.0029674 k( 9) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0029674 k( 10) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0029674 k( 11) = ( 0.1041667 0.0000000 -0.0000000), wk = 0.0029674 k( 12) = ( 0.1145833 -0.0000000 0.0000000), wk = 0.0029674 k( 13) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0029674 k( 14) = ( 0.1354167 0.0000000 -0.0000000), wk = 0.0029674 k( 15) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0029674 k( 16) = ( 0.1562500 -0.0000000 0.0000000), wk = 0.0029674 k( 17) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0029674 k( 18) = ( 0.1770833 -0.0000000 -0.0000000), wk = 0.0029674 k( 19) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0029674 k( 20) = ( 0.1979167 0.0000000 0.0000000), wk = 0.0029674 k( 21) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0029674 k( 22) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0029674 k( 23) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0029674 k( 24) = ( 0.2395833 -0.0000000 0.0000000), wk = 0.0029674 k( 25) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0029674 k( 26) = ( 0.2604167 0.0000000 -0.0000000), wk = 0.0029674 k( 27) = ( 0.2708333 0.0000000 -0.0000000), wk = 0.0029674 k( 28) = ( 0.2812500 0.0000000 -0.0000000), wk = 0.0029674 k( 29) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0029674 k( 30) = ( 0.3020833 0.0000000 -0.0000000), wk = 0.0029674 k( 31) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0029674 k( 32) = ( 0.3229167 0.0000000 -0.0000000), wk = 0.0029674 k( 33) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0029674 k( 34) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0029674 k( 35) = ( 0.3541667 -0.0000000 -0.0000000), wk = 0.0029674 k( 36) = ( 0.3645833 -0.0000000 -0.0000000), wk = 0.0029674 k( 37) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0029674 k( 38) = ( 0.3854167 0.0000000 -0.0000000), wk = 0.0029674 k( 39) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0029674 k( 40) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0029674 k( 41) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0029674 k( 42) = ( 0.4270833 -0.0000000 -0.0000000), wk = 0.0029674 k( 43) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0029674 k( 44) = ( 0.4479167 0.0000000 0.0000000), wk = 0.0029674 k( 45) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0029674 k( 46) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0029674 k( 47) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0029674 k( 48) = ( 0.4895833 -0.0000000 -0.0000000), wk = 0.0029674 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 51) = ( 0.4940476 0.0119048 -0.0000000), wk = 0.0029674 k( 52) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0029674 k( 53) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0029674 k( 54) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0029674 k( 55) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0029674 k( 56) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0029674 k( 57) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0029674 k( 58) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0029674 k( 59) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0029674 k( 60) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0029674 k( 61) = ( 0.4345238 0.1309524 -0.0000000), wk = 0.0029674 k( 62) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0029674 k( 63) = ( 0.4226190 0.1547619 -0.0000000), wk = 0.0029674 k( 64) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0029674 k( 65) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0029674 k( 66) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0029674 k( 67) = ( 0.3988095 0.2023810 -0.0000000), wk = 0.0029674 k( 68) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0029674 k( 69) = ( 0.3869048 0.2261905 -0.0000000), wk = 0.0029674 k( 70) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0029674 k( 71) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0029674 k( 72) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0029674 k( 73) = ( 0.3630952 0.2738095 -0.0000000), wk = 0.0029674 k( 74) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0029674 k( 75) = ( 0.3511905 0.2976190 -0.0000000), wk = 0.0029674 k( 76) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0029674 k( 77) = ( 0.3392857 0.3214286 -0.0000000), wk = 0.0029674 k( 78) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029674 k( 79) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029674 k( 80) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0029674 k( 81) = ( 0.3212121 0.3212121 0.0000000), wk = 0.0029674 k( 82) = ( 0.3151515 0.3151515 -0.0000000), wk = 0.0029674 k( 83) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029674 k( 84) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0029674 k( 85) = ( 0.2969697 0.2969697 0.0000000), wk = 0.0029674 k( 86) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029674 k( 87) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0029674 k( 88) = ( 0.2787879 0.2787879 0.0000000), wk = 0.0029674 k( 89) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0029674 k( 90) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0029674 k( 91) = ( 0.2606061 0.2606061 0.0000000), wk = 0.0029674 k( 92) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0029674 k( 93) = ( 0.2484849 0.2484849 0.0000000), wk = 0.0029674 k( 94) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0029674 k( 95) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0029674 k( 96) = ( 0.2303030 0.2303030 0.0000000), wk = 0.0029674 k( 97) = ( 0.2242424 0.2242424 -0.0000000), wk = 0.0029674 k( 98) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029674 k( 99) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0029674 k( 100) = ( 0.2060606 0.2060606 -0.0000000), wk = 0.0029674 k( 101) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0029674 k( 102) = ( 0.1939394 0.1939394 0.0000000), wk = 0.0029674 k( 103) = ( 0.1878788 0.1878788 0.0000000), wk = 0.0029674 k( 104) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029674 k( 105) = ( 0.1757576 0.1757576 -0.0000000), wk = 0.0029674 k( 106) = ( 0.1696970 0.1696970 0.0000000), wk = 0.0029674 k( 107) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029674 k( 108) = ( 0.1575758 0.1575758 -0.0000000), wk = 0.0029674 k( 109) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0029674 k( 110) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0029674 k( 111) = ( 0.1393939 0.1393939 0.0000000), wk = 0.0029674 k( 112) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0029674 k( 113) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029674 k( 114) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0029674 k( 115) = ( 0.1151515 0.1151515 -0.0000000), wk = 0.0029674 k( 116) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029674 k( 117) = ( 0.1030303 0.1030303 0.0000000), wk = 0.0029674 k( 118) = ( 0.0969697 0.0969697 -0.0000000), wk = 0.0029674 k( 119) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029674 k( 120) = ( 0.0848485 0.0848485 -0.0000000), wk = 0.0029674 k( 121) = ( 0.0787879 0.0787879 -0.0000000), wk = 0.0029674 k( 122) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0029674 k( 123) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0029674 k( 124) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0029674 k( 125) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0029674 k( 126) = ( 0.0484849 0.0484849 -0.0000000), wk = 0.0029674 k( 127) = ( 0.0424242 0.0424242 -0.0000000), wk = 0.0029674 k( 128) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029674 k( 129) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0029674 k( 130) = ( 0.0242424 0.0242424 0.0000000), wk = 0.0029674 k( 131) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029674 k( 132) = ( 0.0121212 0.0121212 0.0000000), wk = 0.0029674 k( 133) = ( 0.0060606 0.0060606 -0.0000000), wk = 0.0029674 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0029674 k( 137) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029674 k( 138) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0029674 k( 139) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029674 k( 140) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0029674 k( 141) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029674 k( 142) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0029674 k( 145) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029674 k( 146) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029674 k( 147) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029674 k( 148) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0029674 k( 149) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029674 k( 150) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0029674 k( 151) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029674 k( 152) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0029674 k( 155) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029674 k( 156) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0029674 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 159) = ( 0.0104167 -0.0000000 0.5000000), wk = 0.0029674 k( 160) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0029674 k( 161) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0029674 k( 162) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0029674 k( 163) = ( 0.0520833 0.0000000 0.5000000), wk = 0.0029674 k( 164) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0029674 k( 165) = ( 0.0729167 0.0000000 0.5000000), wk = 0.0029674 k( 166) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0029674 k( 167) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0029674 k( 168) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0029674 k( 169) = ( 0.1145833 -0.0000000 0.5000000), wk = 0.0029674 k( 170) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0029674 k( 171) = ( 0.1354167 0.0000000 0.5000000), wk = 0.0029674 k( 172) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0029674 k( 173) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0029674 k( 174) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0029674 k( 175) = ( 0.1770833 -0.0000000 0.5000000), wk = 0.0029674 k( 176) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0029674 k( 177) = ( 0.1979167 0.0000000 0.5000000), wk = 0.0029674 k( 178) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0029674 k( 179) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0029674 k( 180) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0029674 k( 181) = ( 0.2395833 -0.0000000 0.5000000), wk = 0.0029674 k( 182) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0029674 k( 183) = ( 0.2604167 0.0000000 0.5000000), wk = 0.0029674 k( 184) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0029674 k( 185) = ( 0.2812500 0.0000000 0.5000000), wk = 0.0029674 k( 186) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0029674 k( 187) = ( 0.3020833 0.0000000 0.5000000), wk = 0.0029674 k( 188) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0029674 k( 189) = ( 0.3229167 0.0000000 0.5000000), wk = 0.0029674 k( 190) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0029674 k( 191) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0029674 k( 192) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0029674 k( 193) = ( 0.3645833 -0.0000000 0.5000000), wk = 0.0029674 k( 194) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0029674 k( 195) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0029674 k( 196) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0029674 k( 197) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0029674 k( 198) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0029674 k( 199) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0029674 k( 200) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0029674 k( 201) = ( 0.4479167 0.0000000 0.5000000), wk = 0.0029674 k( 202) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0029674 k( 203) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0029674 k( 204) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0029674 k( 205) = ( 0.4895833 -0.0000000 0.5000000), wk = 0.0029674 k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 208) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0029674 k( 209) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0029674 k( 210) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0029674 k( 211) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0029674 k( 212) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0029674 k( 213) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0029674 k( 214) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0029674 k( 215) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0029674 k( 216) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0029674 k( 217) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0029674 k( 218) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0029674 k( 219) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0029674 k( 220) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0029674 k( 221) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029674 k( 222) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0029674 k( 223) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0029674 k( 224) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0029674 k( 225) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0029674 k( 226) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0029674 k( 227) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0029674 k( 228) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0029674 k( 229) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0029674 k( 230) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0029674 k( 231) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0029674 k( 232) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0029674 k( 233) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0029674 k( 234) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0029674 k( 235) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 k( 236) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 k( 237) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0029674 k( 238) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0029674 k( 239) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0029674 k( 240) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0029674 k( 241) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0029674 k( 242) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0029674 k( 243) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0029674 k( 244) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0029674 k( 245) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0029674 k( 246) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0029674 k( 247) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0029674 k( 248) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0029674 k( 249) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0029674 k( 250) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0029674 k( 251) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0029674 k( 252) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0029674 k( 253) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0029674 k( 254) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0029674 k( 255) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0029674 k( 256) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0029674 k( 257) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0029674 k( 258) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029674 k( 259) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0029674 k( 260) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0029674 k( 261) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0029674 k( 262) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0029674 k( 263) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0029674 k( 264) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0029674 k( 265) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0029674 k( 266) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0029674 k( 267) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0029674 k( 268) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0029674 k( 269) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0029674 k( 270) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0029674 k( 271) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0029674 k( 272) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0029674 k( 273) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0029674 k( 274) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0029674 k( 275) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0029674 k( 276) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0029674 k( 277) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0029674 k( 278) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0029674 k( 279) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0029674 k( 280) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0029674 k( 281) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0029674 k( 282) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0029674 k( 283) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0029674 k( 284) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0029674 k( 285) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0029674 k( 286) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0029674 k( 287) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0029674 k( 288) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0029674 k( 289) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0029674 k( 290) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0029674 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 292) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 293) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0029674 k( 294) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0029674 k( 295) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0029674 k( 296) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0029674 k( 297) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0029674 k( 298) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0029674 k( 299) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0029674 k( 300) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0029674 k( 301) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0029674 k( 302) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0029674 k( 303) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029674 k( 304) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0029674 k( 305) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0029674 k( 306) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0029674 k( 307) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0029674 k( 308) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0029674 k( 309) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0029674 k( 310) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0029674 k( 311) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0029674 k( 312) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0029674 k( 313) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0029674 k( 314) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 315) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029674 k( 316) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0029674 k( 317) = ( 0.3333333 0.3333333 0.0454545), wk = 0.0029674 k( 318) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0029674 k( 319) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0029674 k( 320) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0029674 k( 321) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0029674 k( 322) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0029674 k( 323) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0029674 k( 324) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0029674 k( 325) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0029674 k( 326) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029674 k( 327) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0029674 k( 328) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0029674 k( 329) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0029674 k( 330) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0029674 k( 331) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0029674 k( 332) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0029674 k( 333) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0029674 k( 334) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0029674 k( 335) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0029674 k( 336) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0029674 k( 337) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 Dense grid: 61531 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 27311 G-vectors FFT dimensions: ( 32, 32, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 200, 58) NL pseudopotentials 0.28 Mb ( 100, 186) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1708) G-vector shells 0.01 Mb ( 787) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 200, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.33 Mb ( 186, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.7 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.5 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.8 secs Computing kpt #: 8 total cpu time spent up to now is 13.1 secs Computing kpt #: 9 total cpu time spent up to now is 14.2 secs Computing kpt #: 10 total cpu time spent up to now is 15.4 secs Computing kpt #: 11 total cpu time spent up to now is 16.8 secs Computing kpt #: 12 total cpu time spent up to now is 18.0 secs Computing kpt #: 13 total cpu time spent up to now is 19.1 secs Computing kpt #: 14 total cpu time spent up to now is 20.5 secs Computing kpt #: 15 total cpu time spent up to now is 21.9 secs Computing kpt #: 16 total cpu time spent up to now is 23.3 secs Computing kpt #: 17 total cpu time spent up to now is 24.8 secs Computing kpt #: 18 total cpu time spent up to now is 26.1 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 27.8 secs Computing kpt #: 20 total cpu time spent up to now is 29.3 secs Computing kpt #: 21 total cpu time spent up to now is 30.3 secs Computing kpt #: 22 total cpu time spent up to now is 32.0 secs Computing kpt #: 23 total cpu time spent up to now is 33.5 secs Computing kpt #: 24 total cpu time spent up to now is 35.0 secs Computing kpt #: 25 total cpu time spent up to now is 36.4 secs Computing kpt #: 26 total cpu time spent up to now is 37.3 secs Computing kpt #: 27 total cpu time spent up to now is 38.4 secs Computing kpt #: 28 total cpu time spent up to now is 39.4 secs Computing kpt #: 29 total cpu time spent up to now is 40.3 secs Computing kpt #: 30 total cpu time spent up to now is 41.3 secs Computing kpt #: 31 total cpu time spent up to now is 42.3 secs Computing kpt #: 32 total cpu time spent up to now is 43.3 secs Computing kpt #: 33 total cpu time spent up to now is 44.2 secs Computing kpt #: 34 total cpu time spent up to now is 45.1 secs Computing kpt #: 35 total cpu time spent up to now is 45.8 secs Computing kpt #: 36 total cpu time spent up to now is 46.6 secs Computing kpt #: 37 total cpu time spent up to now is 47.3 secs Computing kpt #: 38 total cpu time spent up to now is 48.0 secs Computing kpt #: 39 total cpu time spent up to now is 48.7 secs Computing kpt #: 40 total cpu time spent up to now is 49.4 secs Computing kpt #: 41 total cpu time spent up to now is 50.1 secs Computing kpt #: 42 total cpu time spent up to now is 50.8 secs Computing kpt #: 43 total cpu time spent up to now is 51.6 secs Computing kpt #: 44 total cpu time spent up to now is 52.3 secs Computing kpt #: 45 total cpu time spent up to now is 53.0 secs Computing kpt #: 46 total cpu time spent up to now is 53.7 secs Computing kpt #: 47 total cpu time spent up to now is 54.4 secs Computing kpt #: 48 total cpu time spent up to now is 55.2 secs Computing kpt #: 49 total cpu time spent up to now is 55.9 secs Computing kpt #: 50 total cpu time spent up to now is 56.6 secs Computing kpt #: 51 total cpu time spent up to now is 57.3 secs Computing kpt #: 52 total cpu time spent up to now is 58.1 secs Computing kpt #: 53 total cpu time spent up to now is 58.8 secs Computing kpt #: 54 total cpu time spent up to now is 59.5 secs Computing kpt #: 55 total cpu time spent up to now is 60.3 secs Computing kpt #: 56 total cpu time spent up to now is 61.0 secs Computing kpt #: 57 total cpu time spent up to now is 61.8 secs Computing kpt #: 58 total cpu time spent up to now is 62.5 secs Computing kpt #: 59 total cpu time spent up to now is 63.2 secs Computing kpt #: 60 total cpu time spent up to now is 64.0 secs Computing kpt #: 61 total cpu time spent up to now is 64.7 secs Computing kpt #: 62 total cpu time spent up to now is 65.5 secs Computing kpt #: 63 total cpu time spent up to now is 66.2 secs Computing kpt #: 64 total cpu time spent up to now is 67.1 secs Computing kpt #: 65 total cpu time spent up to now is 67.8 secs Computing kpt #: 66 total cpu time spent up to now is 68.6 secs Computing kpt #: 67 total cpu time spent up to now is 69.4 secs Computing kpt #: 68 total cpu time spent up to now is 70.2 secs Computing kpt #: 69 total cpu time spent up to now is 71.1 secs Computing kpt #: 70 total cpu time spent up to now is 72.0 secs Computing kpt #: 71 total cpu time spent up to now is 72.8 secs Computing kpt #: 72 total cpu time spent up to now is 73.8 secs Computing kpt #: 73 total cpu time spent up to now is 74.9 secs Computing kpt #: 74 total cpu time spent up to now is 76.1 secs Computing kpt #: 75 total cpu time spent up to now is 77.3 secs Computing kpt #: 76 total cpu time spent up to now is 78.6 secs Computing kpt #: 77 total cpu time spent up to now is 79.9 secs Computing kpt #: 78 total cpu time spent up to now is 81.1 secs Computing kpt #: 79 total cpu time spent up to now is 82.3 secs Computing kpt #: 80 total cpu time spent up to now is 83.6 secs Computing kpt #: 81 total cpu time spent up to now is 84.7 secs Computing kpt #: 82 total cpu time spent up to now is 85.9 secs Computing kpt #: 83 total cpu time spent up to now is 87.1 secs Computing kpt #: 84 total cpu time spent up to now is 88.3 secs Computing kpt #: 85 total cpu time spent up to now is 89.8 secs Computing kpt #: 86 total cpu time spent up to now is 91.3 secs Computing kpt #: 87 total cpu time spent up to now is 92.5 secs Computing kpt #: 88 total cpu time spent up to now is 93.9 secs Computing kpt #: 89 total cpu time spent up to now is 95.3 secs Computing kpt #: 90 total cpu time spent up to now is 96.6 secs Computing kpt #: 91 total cpu time spent up to now is 98.0 secs Computing kpt #: 92 total cpu time spent up to now is 99.2 secs Computing kpt #: 93 total cpu time spent up to now is 100.6 secs Computing kpt #: 94 total cpu time spent up to now is 102.0 secs Computing kpt #: 95 total cpu time spent up to now is 103.5 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.4 secs Computing kpt #: 97 total cpu time spent up to now is 107.0 secs Computing kpt #: 98 total cpu time spent up to now is 108.3 secs Computing kpt #: 99 total cpu time spent up to now is 109.6 secs Computing kpt #: 100 total cpu time spent up to now is 110.6 secs Computing kpt #: 101 total cpu time spent up to now is 111.7 secs Computing kpt #: 102 total cpu time spent up to now is 112.7 secs Computing kpt #: 103 total cpu time spent up to now is 113.8 secs Computing kpt #: 104 total cpu time spent up to now is 114.9 secs Computing kpt #: 105 total cpu time spent up to now is 116.0 secs Computing kpt #: 106 total cpu time spent up to now is 116.9 secs Computing kpt #: 107 total cpu time spent up to now is 118.1 secs Computing kpt #: 108 total cpu time spent up to now is 119.4 secs Computing kpt #: 109 total cpu time spent up to now is 120.4 secs Computing kpt #: 110 total cpu time spent up to now is 121.3 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.0 secs Computing kpt #: 112 total cpu time spent up to now is 123.9 secs Computing kpt #: 113 total cpu time spent up to now is 124.9 secs Computing kpt #: 114 total cpu time spent up to now is 125.9 secs Computing kpt #: 115 total cpu time spent up to now is 126.8 secs Computing kpt #: 116 total cpu time spent up to now is 127.8 secs Computing kpt #: 117 total cpu time spent up to now is 128.8 secs Computing kpt #: 118 total cpu time spent up to now is 129.7 secs Computing kpt #: 119 total cpu time spent up to now is 130.7 secs Computing kpt #: 120 total cpu time spent up to now is 131.7 secs Computing kpt #: 121 total cpu time spent up to now is 132.6 secs Computing kpt #: 122 total cpu time spent up to now is 133.6 secs Computing kpt #: 123 total cpu time spent up to now is 134.5 secs Computing kpt #: 124 total cpu time spent up to now is 135.5 secs Computing kpt #: 125 total cpu time spent up to now is 136.9 secs Computing kpt #: 126 total cpu time spent up to now is 138.1 secs Computing kpt #: 127 total cpu time spent up to now is 139.2 secs Computing kpt #: 128 total cpu time spent up to now is 140.8 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 142.6 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.3 secs Computing kpt #: 131 total cpu time spent up to now is 145.5 secs Computing kpt #: 132 total cpu time spent up to now is 146.6 secs Computing kpt #: 133 total cpu time spent up to now is 147.8 secs Computing kpt #: 134 total cpu time spent up to now is 149.0 secs Computing kpt #: 135 total cpu time spent up to now is 150.1 secs Computing kpt #: 136 total cpu time spent up to now is 151.3 secs Computing kpt #: 137 total cpu time spent up to now is 152.2 secs Computing kpt #: 138 total cpu time spent up to now is 153.1 secs Computing kpt #: 139 total cpu time spent up to now is 154.0 secs Computing kpt #: 140 total cpu time spent up to now is 154.9 secs Computing kpt #: 141 total cpu time spent up to now is 155.8 secs Computing kpt #: 142 total cpu time spent up to now is 156.6 secs Computing kpt #: 143 total cpu time spent up to now is 157.4 secs Computing kpt #: 144 total cpu time spent up to now is 158.2 secs Computing kpt #: 145 total cpu time spent up to now is 159.1 secs Computing kpt #: 146 total cpu time spent up to now is 159.9 secs Computing kpt #: 147 total cpu time spent up to now is 160.8 secs Computing kpt #: 148 total cpu time spent up to now is 161.7 secs Computing kpt #: 149 total cpu time spent up to now is 162.5 secs Computing kpt #: 150 total cpu time spent up to now is 163.3 secs Computing kpt #: 151 total cpu time spent up to now is 164.2 secs Computing kpt #: 152 total cpu time spent up to now is 165.0 secs Computing kpt #: 153 total cpu time spent up to now is 165.8 secs Computing kpt #: 154 total cpu time spent up to now is 166.7 secs Computing kpt #: 155 total cpu time spent up to now is 167.5 secs Computing kpt #: 156 total cpu time spent up to now is 168.3 secs Computing kpt #: 157 total cpu time spent up to now is 169.2 secs Computing kpt #: 158 total cpu time spent up to now is 170.0 secs Computing kpt #: 159 total cpu time spent up to now is 170.8 secs Computing kpt #: 160 total cpu time spent up to now is 171.7 secs Computing kpt #: 161 total cpu time spent up to now is 172.6 secs Computing kpt #: 162 total cpu time spent up to now is 173.4 secs Computing kpt #: 163 total cpu time spent up to now is 174.3 secs Computing kpt #: 164 total cpu time spent up to now is 175.2 secs Computing kpt #: 165 total cpu time spent up to now is 176.1 secs Computing kpt #: 166 total cpu time spent up to now is 176.9 secs Computing kpt #: 167 total cpu time spent up to now is 177.8 secs Computing kpt #: 168 total cpu time spent up to now is 178.7 secs Computing kpt #: 169 total cpu time spent up to now is 179.6 secs Computing kpt #: 170 total cpu time spent up to now is 180.4 secs Computing kpt #: 171 total cpu time spent up to now is 181.3 secs Computing kpt #: 172 total cpu time spent up to now is 182.2 secs Computing kpt #: 173 total cpu time spent up to now is 183.1 secs Computing kpt #: 174 total cpu time spent up to now is 184.1 secs Computing kpt #: 175 total cpu time spent up to now is 185.1 secs Computing kpt #: 176 total cpu time spent up to now is 186.1 secs Computing kpt #: 177 total cpu time spent up to now is 187.2 secs Computing kpt #: 178 total cpu time spent up to now is 188.2 secs Computing kpt #: 179 total cpu time spent up to now is 189.1 secs Computing kpt #: 180 total cpu time spent up to now is 190.1 secs Computing kpt #: 181 total cpu time spent up to now is 191.0 secs Computing kpt #: 182 total cpu time spent up to now is 192.0 secs Computing kpt #: 183 total cpu time spent up to now is 192.9 secs Computing kpt #: 184 total cpu time spent up to now is 193.8 secs Computing kpt #: 185 total cpu time spent up to now is 194.7 secs Computing kpt #: 186 total cpu time spent up to now is 195.6 secs Computing kpt #: 187 total cpu time spent up to now is 196.6 secs Computing kpt #: 188 total cpu time spent up to now is 197.5 secs Computing kpt #: 189 total cpu time spent up to now is 198.5 secs Computing kpt #: 190 total cpu time spent up to now is 199.4 secs Computing kpt #: 191 total cpu time spent up to now is 200.5 secs Computing kpt #: 192 total cpu time spent up to now is 201.7 secs Computing kpt #: 193 total cpu time spent up to now is 202.8 secs Computing kpt #: 194 total cpu time spent up to now is 204.0 secs Computing kpt #: 195 total cpu time spent up to now is 205.2 secs Computing kpt #: 196 total cpu time spent up to now is 206.4 secs Computing kpt #: 197 total cpu time spent up to now is 207.5 secs Computing kpt #: 198 total cpu time spent up to now is 208.7 secs Computing kpt #: 199 total cpu time spent up to now is 209.6 secs Computing kpt #: 200 total cpu time spent up to now is 210.7 secs Computing kpt #: 201 total cpu time spent up to now is 211.8 secs Computing kpt #: 202 total cpu time spent up to now is 212.7 secs Computing kpt #: 203 total cpu time spent up to now is 213.9 secs Computing kpt #: 204 total cpu time spent up to now is 215.0 secs Computing kpt #: 205 total cpu time spent up to now is 215.7 secs Computing kpt #: 206 total cpu time spent up to now is 216.5 secs Computing kpt #: 207 total cpu time spent up to now is 217.3 secs Computing kpt #: 208 total cpu time spent up to now is 218.0 secs Computing kpt #: 209 total cpu time spent up to now is 218.7 secs Computing kpt #: 210 total cpu time spent up to now is 219.7 secs Computing kpt #: 211 total cpu time spent up to now is 220.4 secs Computing kpt #: 212 total cpu time spent up to now is 221.1 secs Computing kpt #: 213 total cpu time spent up to now is 222.0 secs Computing kpt #: 214 total cpu time spent up to now is 222.7 secs Computing kpt #: 215 total cpu time spent up to now is 223.5 secs Computing kpt #: 216 total cpu time spent up to now is 224.2 secs Computing kpt #: 217 total cpu time spent up to now is 224.9 secs Computing kpt #: 218 total cpu time spent up to now is 225.7 secs Computing kpt #: 219 total cpu time spent up to now is 226.4 secs Computing kpt #: 220 total cpu time spent up to now is 227.1 secs Computing kpt #: 221 total cpu time spent up to now is 227.8 secs Computing kpt #: 222 total cpu time spent up to now is 228.6 secs Computing kpt #: 223 total cpu time spent up to now is 229.3 secs Computing kpt #: 224 total cpu time spent up to now is 230.1 secs Computing kpt #: 225 total cpu time spent up to now is 230.8 secs Computing kpt #: 226 total cpu time spent up to now is 231.5 secs Computing kpt #: 227 total cpu time spent up to now is 232.2 secs Computing kpt #: 228 total cpu time spent up to now is 232.9 secs Computing kpt #: 229 total cpu time spent up to now is 233.6 secs Computing kpt #: 230 total cpu time spent up to now is 234.3 secs Computing kpt #: 231 total cpu time spent up to now is 235.0 secs Computing kpt #: 232 total cpu time spent up to now is 235.7 secs Computing kpt #: 233 total cpu time spent up to now is 236.5 secs Computing kpt #: 234 total cpu time spent up to now is 237.2 secs Computing kpt #: 235 total cpu time spent up to now is 237.9 secs Computing kpt #: 236 total cpu time spent up to now is 238.7 secs Computing kpt #: 237 total cpu time spent up to now is 239.5 secs Computing kpt #: 238 total cpu time spent up to now is 240.1 secs Computing kpt #: 239 total cpu time spent up to now is 240.9 secs Computing kpt #: 240 total cpu time spent up to now is 241.7 secs Computing kpt #: 241 total cpu time spent up to now is 242.5 secs Computing kpt #: 242 total cpu time spent up to now is 243.3 secs Computing kpt #: 243 total cpu time spent up to now is 244.0 secs Computing kpt #: 244 total cpu time spent up to now is 244.8 secs Computing kpt #: 245 total cpu time spent up to now is 245.7 secs Computing kpt #: 246 total cpu time spent up to now is 246.4 secs Computing kpt #: 247 total cpu time spent up to now is 247.2 secs Computing kpt #: 248 total cpu time spent up to now is 248.1 secs Computing kpt #: 249 total cpu time spent up to now is 248.8 secs Computing kpt #: 250 total cpu time spent up to now is 249.6 secs Computing kpt #: 251 total cpu time spent up to now is 250.3 secs Computing kpt #: 252 total cpu time spent up to now is 251.2 secs Computing kpt #: 253 total cpu time spent up to now is 252.0 secs Computing kpt #: 254 total cpu time spent up to now is 252.9 secs Computing kpt #: 255 total cpu time spent up to now is 253.8 secs Computing kpt #: 256 total cpu time spent up to now is 254.6 secs Computing kpt #: 257 total cpu time spent up to now is 255.6 secs Computing kpt #: 258 total cpu time spent up to now is 256.5 secs Computing kpt #: 259 total cpu time spent up to now is 257.5 secs Computing kpt #: 260 total cpu time spent up to now is 258.5 secs Computing kpt #: 261 total cpu time spent up to now is 259.3 secs Computing kpt #: 262 total cpu time spent up to now is 260.2 secs Computing kpt #: 263 total cpu time spent up to now is 261.1 secs Computing kpt #: 264 total cpu time spent up to now is 262.1 secs Computing kpt #: 265 total cpu time spent up to now is 263.1 secs Computing kpt #: 266 total cpu time spent up to now is 264.0 secs Computing kpt #: 267 total cpu time spent up to now is 265.0 secs Computing kpt #: 268 total cpu time spent up to now is 265.9 secs Computing kpt #: 269 total cpu time spent up to now is 266.7 secs Computing kpt #: 270 total cpu time spent up to now is 267.7 secs Computing kpt #: 271 total cpu time spent up to now is 268.6 secs Computing kpt #: 272 total cpu time spent up to now is 269.5 secs Computing kpt #: 273 total cpu time spent up to now is 270.4 secs Computing kpt #: 274 total cpu time spent up to now is 271.4 secs Computing kpt #: 275 total cpu time spent up to now is 272.3 secs Computing kpt #: 276 total cpu time spent up to now is 273.1 secs Computing kpt #: 277 total cpu time spent up to now is 274.1 secs Computing kpt #: 278 total cpu time spent up to now is 274.9 secs Computing kpt #: 279 total cpu time spent up to now is 275.8 secs Computing kpt #: 280 total cpu time spent up to now is 276.7 secs Computing kpt #: 281 total cpu time spent up to now is 277.6 secs Computing kpt #: 282 total cpu time spent up to now is 278.5 secs Computing kpt #: 283 total cpu time spent up to now is 279.3 secs Computing kpt #: 284 total cpu time spent up to now is 280.2 secs Computing kpt #: 285 total cpu time spent up to now is 281.1 secs Computing kpt #: 286 total cpu time spent up to now is 282.0 secs Computing kpt #: 287 total cpu time spent up to now is 282.8 secs Computing kpt #: 288 total cpu time spent up to now is 283.7 secs Computing kpt #: 289 total cpu time spent up to now is 284.6 secs Computing kpt #: 290 total cpu time spent up to now is 285.4 secs Computing kpt #: 291 total cpu time spent up to now is 286.2 secs Computing kpt #: 292 total cpu time spent up to now is 287.1 secs Computing kpt #: 293 total cpu time spent up to now is 287.8 secs Computing kpt #: 294 total cpu time spent up to now is 288.6 secs Computing kpt #: 295 total cpu time spent up to now is 289.3 secs Computing kpt #: 296 total cpu time spent up to now is 290.1 secs Computing kpt #: 297 total cpu time spent up to now is 290.8 secs Computing kpt #: 298 total cpu time spent up to now is 291.5 secs Computing kpt #: 299 total cpu time spent up to now is 292.6 secs Computing kpt #: 300 total cpu time spent up to now is 293.5 secs Computing kpt #: 301 total cpu time spent up to now is 294.6 secs Computing kpt #: 302 total cpu time spent up to now is 295.4 secs Computing kpt #: 303 total cpu time spent up to now is 296.3 secs Computing kpt #: 304 total cpu time spent up to now is 297.2 secs Computing kpt #: 305 total cpu time spent up to now is 298.0 secs Computing kpt #: 306 total cpu time spent up to now is 298.7 secs Computing kpt #: 307 total cpu time spent up to now is 299.4 secs Computing kpt #: 308 total cpu time spent up to now is 300.1 secs Computing kpt #: 309 total cpu time spent up to now is 300.9 secs Computing kpt #: 310 total cpu time spent up to now is 301.6 secs Computing kpt #: 311 total cpu time spent up to now is 302.3 secs Computing kpt #: 312 total cpu time spent up to now is 303.0 secs Computing kpt #: 313 total cpu time spent up to now is 303.7 secs Computing kpt #: 314 total cpu time spent up to now is 304.5 secs Computing kpt #: 315 total cpu time spent up to now is 305.5 secs Computing kpt #: 316 total cpu time spent up to now is 306.8 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.6 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.2 secs Computing kpt #: 319 total cpu time spent up to now is 311.1 secs Computing kpt #: 320 total cpu time spent up to now is 312.0 secs Computing kpt #: 321 total cpu time spent up to now is 312.7 secs Computing kpt #: 322 total cpu time spent up to now is 313.5 secs Computing kpt #: 323 total cpu time spent up to now is 314.2 secs Computing kpt #: 324 total cpu time spent up to now is 314.9 secs Computing kpt #: 325 total cpu time spent up to now is 315.5 secs Computing kpt #: 326 total cpu time spent up to now is 316.3 secs Computing kpt #: 327 total cpu time spent up to now is 316.9 secs Computing kpt #: 328 total cpu time spent up to now is 317.6 secs Computing kpt #: 329 total cpu time spent up to now is 318.4 secs Computing kpt #: 330 total cpu time spent up to now is 319.1 secs Computing kpt #: 331 total cpu time spent up to now is 319.8 secs Computing kpt #: 332 total cpu time spent up to now is 320.6 secs Computing kpt #: 333 total cpu time spent up to now is 321.3 secs Computing kpt #: 334 total cpu time spent up to now is 322.0 secs Computing kpt #: 335 total cpu time spent up to now is 322.8 secs Computing kpt #: 336 total cpu time spent up to now is 323.5 secs Computing kpt #: 337 total cpu time spent up to now is 324.3 secs ethr = 2.08E-08, avg # of iterations = 49.1 total cpu time spent up to now is 324.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3371 PWs) bands (ev): -20.9950 -20.9950 -20.5069 -20.5069 -20.5045 -20.5045 -12.6602 -12.6602 -12.6520 -12.6520 -10.9751 -10.9751 -7.9571 -7.9571 -6.0815 -6.0815 -6.0776 -6.0776 -1.9171 -1.9171 -1.9068 -1.9068 -1.8898 -1.8898 -1.0335 -1.0335 -1.0266 -1.0266 -0.8621 -0.8621 2.0145 2.0145 2.0287 2.0287 3.4175 3.4175 3.6728 3.6728 4.8687 4.8687 4.8768 4.8768 6.4823 6.4823 7.7762 7.7762 7.7784 7.7784 12.4145 12.4145 12.4146 12.4146 13.4717 13.4717 14.5254 14.5254 14.5416 14.5416 k = 0.0104 0.0060-0.0000 ( 3371 PWs) bands (ev): -20.9949 -20.9949 -20.5069 -20.5069 -20.5045 -20.5045 -12.6605 -12.6605 -12.6523 -12.6523 -10.9752 -10.9752 -7.9568 -7.9568 -6.0812 -6.0812 -6.0773 -6.0772 -1.9347 -1.9239 -1.9124 -1.9099 -1.8795 -1.8713 -1.0343 -1.0341 -1.0277 -1.0264 -0.8632 -0.8618 2.0159 2.0159 2.0300 2.0301 3.4180 3.4182 3.6735 3.6738 4.8689 4.8693 4.8772 4.8773 6.4822 6.4823 7.7762 7.7763 7.7787 7.7789 12.4135 12.4136 12.4148 12.4151 13.4692 13.4696 14.5211 14.5244 14.5389 14.5394 k = 0.0208 0.0120-0.0000 ( 3379 PWs) bands (ev): -20.9945 -20.9944 -20.5068 -20.5068 -20.5044 -20.5044 -12.6615 -12.6614 -12.6533 -12.6533 -10.9756 -10.9755 -7.9559 -7.9559 -6.0803 -6.0803 -6.0764 -6.0763 -1.9598 -1.9494 -1.9130 -1.9120 -1.8596 -1.8503 -1.0372 -1.0360 -1.0289 -1.0273 -0.8650 -0.8623 2.0198 2.0198 2.0340 2.0343 3.4197 3.4200 3.6760 3.6765 4.8700 4.8707 4.8785 4.8787 6.4818 6.4821 7.7754 7.7756 7.7809 7.7813 12.4106 12.4107 12.4157 12.4164 13.4621 13.4628 14.5112 14.5154 14.5318 14.5353 k = 0.0312 0.0180-0.0000 ( 3379 PWs) bands (ev): -20.9937 -20.9936 -20.5066 -20.5066 -20.5042 -20.5041 -12.6631 -12.6630 -12.6549 -12.6549 -10.9762 -10.9761 -7.9545 -7.9545 -6.0789 -6.0789 -6.0749 -6.0748 -1.9875 -1.9774 -1.9146 -1.9144 -1.8403 -1.8306 -1.0429 -1.0398 -1.0295 -1.0283 -0.8676 -0.8637 2.0260 2.0262 2.0411 2.0415 3.4225 3.4229 3.6802 3.6810 4.8717 4.8729 4.8809 4.8815 6.4812 6.4816 7.7735 7.7738 7.7852 7.7858 12.4057 12.4059 12.4174 12.4183 13.4506 13.4517 14.4937 14.4980 14.5240 14.5311 k = 0.0417 0.0241-0.0000 ( 3379 PWs) bands (ev): -20.9926 -20.9926 -20.5064 -20.5064 -20.5039 -20.5038 -12.6653 -12.6652 -12.6571 -12.6570 -10.9771 -10.9770 -7.9525 -7.9525 -6.0771 -6.0770 -6.0727 -6.0726 -2.0168 -2.0070 -1.9174 -1.9171 -1.8227 -1.8128 -1.0510 -1.0460 -1.0300 -1.0289 -0.8709 -0.8659 2.0341 2.0346 2.0514 2.0519 3.4264 3.4270 3.6861 3.6871 4.8738 4.8757 4.8844 4.8856 6.4806 6.4811 7.7708 7.7712 7.7914 7.7920 12.3988 12.3991 12.4196 12.4209 13.4354 13.4367 14.4688 14.4736 14.5173 14.5263 k = 0.0521 0.0301-0.0000 ( 3371 PWs) bands (ev): -20.9913 -20.9912 -20.5062 -20.5061 -20.5035 -20.5033 -12.6682 -12.6680 -12.6599 -12.6597 -10.9782 -10.9780 -7.9500 -7.9500 -6.0748 -6.0747 -6.0699 -6.0697 -2.0476 -2.0381 -1.9211 -1.9203 -1.8068 -1.7968 -1.0612 -1.0546 -1.0305 -1.0290 -0.8749 -0.8689 2.0439 2.0447 2.0651 2.0657 3.4314 3.4322 3.6935 3.6948 4.8763 4.8789 4.8894 4.8913 6.4798 6.4804 7.7675 7.7680 7.7992 7.8000 12.3900 12.3903 12.4223 12.4239 13.4168 13.4185 14.4384 14.4437 14.5110 14.5212 k = 0.0625 0.0361-0.0000 ( 3373 PWs) bands (ev): -20.9896 -20.9895 -20.5059 -20.5059 -20.5029 -20.5028 -12.6717 -12.6715 -12.6632 -12.6630 -10.9796 -10.9793 -7.9469 -7.9469 -6.0721 -6.0720 -6.0663 -6.0661 -2.0797 -2.0704 -1.9254 -1.9243 -1.7929 -1.7828 -1.0733 -1.0654 -1.0310 -1.0290 -0.8796 -0.8728 2.0553 2.0564 2.0821 2.0828 3.4375 3.4385 3.7026 3.7041 4.8792 4.8824 4.8959 4.8984 6.4790 6.4797 7.7635 7.7641 7.8085 7.8095 12.3791 12.3794 12.4253 12.4272 13.3957 13.3976 14.4039 14.4094 14.5051 14.5156 k = 0.0729 0.0421-0.0000 ( 3361 PWs) bands (ev): -20.9877 -20.9876 -20.5057 -20.5056 -20.5022 -20.5020 -12.6759 -12.6756 -12.6671 -12.6668 -10.9811 -10.9809 -7.9433 -7.9433 -6.0690 -6.0689 -6.0620 -6.0618 -2.1130 -2.1040 -1.9303 -1.9289 -1.7809 -1.7708 -1.0872 -1.0781 -1.0314 -1.0289 -0.8850 -0.8775 2.0681 2.0696 2.1023 2.1032 3.4446 3.4458 3.7131 3.7148 4.8826 4.8865 4.9039 4.9070 6.4782 6.4790 7.7590 7.7596 7.8194 7.8205 12.3661 12.3664 12.4284 12.4305 13.3726 13.3748 14.3663 14.3719 14.4993 14.5096 k = 0.0833 0.0481-0.0000 ( 3365 PWs) bands (ev): -20.9855 -20.9853 -20.5055 -20.5054 -20.5013 -20.5011 -12.6807 -12.6803 -12.6716 -12.6711 -10.9829 -10.9826 -7.9391 -7.9391 -6.0657 -6.0655 -6.0570 -6.0568 -2.1475 -2.1386 -1.9358 -1.9340 -1.7710 -1.7609 -1.1027 -1.0927 -1.0318 -1.0288 -0.8910 -0.8829 2.0824 2.0840 2.1255 2.1267 3.4527 3.4541 3.7249 3.7268 4.8865 4.8910 4.9134 4.9170 6.4775 6.4784 7.7540 7.7547 7.8316 7.8328 12.3510 12.3512 12.4314 12.4337 13.3483 13.3507 14.3265 14.3321 14.4934 14.5031 k = 0.0938 0.0541-0.0000 ( 3367 PWs) bands (ev): -20.9830 -20.9828 -20.5053 -20.5051 -20.5003 -20.5002 -12.6862 -12.6856 -12.6764 -12.6759 -10.9849 -10.9846 -7.9345 -7.9345 -6.0619 -6.0617 -6.0513 -6.0511 -2.1829 -2.1742 -1.9418 -1.9398 -1.7632 -1.7531 -1.1197 -1.1090 -1.0323 -1.0286 -0.8975 -0.8889 2.0978 2.0997 2.1517 2.1530 3.4618 3.4633 3.7380 3.7401 4.8910 4.8960 4.9244 4.9284 6.4770 6.4780 7.7486 7.7494 7.8450 7.8463 12.3337 12.3338 12.4339 12.4365 13.3234 13.3260 14.2852 14.2908 14.4872 14.4960 k = 0.1042 0.0601-0.0000 ( 3367 PWs) bands (ev): -20.9802 -20.9800 -20.5051 -20.5049 -20.4992 -20.4990 -12.6923 -12.6915 -12.6818 -12.6810 -10.9871 -10.9868 -7.9293 -7.9293 -6.0578 -6.0576 -6.0451 -6.0448 -2.2191 -2.2107 -1.9483 -1.9459 -1.7575 -1.7474 -1.1382 -1.1268 -1.0328 -1.0285 -0.9044 -0.8953 2.1144 2.1165 2.1806 2.1820 3.4717 3.4735 3.7522 3.7545 4.8962 4.9017 4.9368 4.9412 6.4768 6.4779 7.7430 7.7439 7.8594 7.8608 12.3141 12.3143 12.4359 12.4386 13.2984 13.3012 14.2432 14.2486 14.4807 14.4883 k = 0.1146 0.0662-0.0000 ( 3363 PWs) bands (ev): -20.9772 -20.9770 -20.5048 -20.5046 -20.4980 -20.4978 -12.6989 -12.6981 -12.6875 -12.6866 -10.9895 -10.9891 -7.9237 -7.9236 -6.0534 -6.0532 -6.0382 -6.0380 -2.2561 -2.2479 -1.9552 -1.9525 -1.7538 -1.7439 -1.1579 -1.1461 -1.0337 -1.0287 -0.9113 -0.9020 2.1320 2.1343 2.2120 2.2136 3.4826 3.4846 3.7674 3.7699 4.9020 4.9082 4.9506 4.9554 6.4769 6.4781 7.7372 7.7381 7.8748 7.8763 12.2923 12.2926 12.4369 12.4398 13.2739 13.2769 14.2012 14.2064 14.4736 14.4800 k = 0.1250 0.0722-0.0000 ( 3367 PWs) bands (ev): -20.9739 -20.9737 -20.5046 -20.5044 -20.4966 -20.4964 -12.7062 -12.7052 -12.6936 -12.6926 -10.9920 -10.9917 -7.9175 -7.9175 -6.0487 -6.0484 -6.0307 -6.0305 -2.2938 -2.2858 -1.9624 -1.9595 -1.7522 -1.7424 -1.1788 -1.1666 -1.0350 -1.0293 -0.9182 -0.9085 2.1502 2.1527 2.2458 2.2475 3.4943 3.4965 3.7835 3.7861 4.9086 4.9153 4.9658 4.9709 6.4776 6.4788 7.7314 7.7324 7.8908 7.8924 12.2683 12.2687 12.4368 12.4399 13.2500 13.2532 14.1598 14.1648 14.4659 14.4710 k = 0.1354 0.0782-0.0000 ( 3370 PWs) bands (ev): -20.9704 -20.9702 -20.5044 -20.5042 -20.4952 -20.4950 -12.7139 -12.7128 -12.7000 -12.6989 -10.9948 -10.9944 -7.9109 -7.9109 -6.0437 -6.0434 -6.0227 -6.0225 -2.3320 -2.3242 -1.9699 -1.9667 -1.7526 -1.7430 -1.2007 -1.1883 -1.0371 -1.0306 -0.9245 -0.9146 2.1690 2.1716 2.2818 2.2837 3.5070 3.5094 3.8003 3.8031 4.9161 4.9233 4.9824 4.9878 6.4788 6.4801 7.7256 7.7266 7.9074 7.9091 12.2421 12.2427 12.4353 12.4384 13.2271 13.2305 14.1198 14.1245 14.4574 14.4613 k = 0.1458 0.0842-0.0000 ( 3372 PWs) bands (ev): -20.9667 -20.9664 -20.5043 -20.5040 -20.4936 -20.4935 -12.7221 -12.7209 -12.7067 -12.7055 -10.9977 -10.9972 -7.9039 -7.9039 -6.0385 -6.0382 -6.0143 -6.0140 -2.3706 -2.3631 -1.9776 -1.9742 -1.7550 -1.7456 -1.2237 -1.2110 -1.0403 -1.0332 -0.9298 -0.9199 2.1882 2.1909 2.3198 2.3219 3.5205 3.5232 3.8177 3.8206 4.9244 4.9321 5.0002 5.0060 6.4807 6.4820 7.7199 7.7210 7.9244 7.9261 12.2139 12.2147 12.4321 12.4354 13.2052 13.2087 14.0820 14.0865 14.4482 14.4510 k = 0.1562 0.0902-0.0000 ( 3380 PWs) bands (ev): -20.9627 -20.9625 -20.5041 -20.5038 -20.4920 -20.4919 -12.7308 -12.7295 -12.7137 -12.7124 -11.0007 -11.0003 -7.8965 -7.8965 -6.0330 -6.0327 -6.0053 -6.0050 -2.4095 -2.4022 -1.9854 -1.9818 -1.7592 -1.7501 -1.2474 -1.2347 -1.0449 -1.0372 -0.9336 -0.9238 2.2074 2.2102 2.3597 2.3619 3.5349 3.5378 3.8354 3.8385 4.9336 4.9418 5.0193 5.0253 6.4834 6.4847 7.7146 7.7157 7.9416 7.9433 12.1838 12.1848 12.4271 12.4304 13.1843 13.1878 14.0471 14.0512 14.4378 14.4399 k = 0.1667 0.0962-0.0000 ( 3378 PWs) bands (ev): -20.9586 -20.9583 -20.5039 -20.5036 -20.4903 -20.4901 -12.7399 -12.7386 -12.7210 -12.7196 -11.0039 -11.0034 -7.8887 -7.8887 -6.0273 -6.0270 -5.9959 -5.9956 -2.4486 -2.4415 -1.9934 -1.9895 -1.7652 -1.7564 -1.2720 -1.2591 -1.0512 -1.0432 -0.9357 -0.9262 2.2266 2.2295 2.4011 2.4035 3.5501 3.5534 3.8535 3.8566 4.9437 4.9525 5.0395 5.0458 6.4870 6.4883 7.7095 7.7107 7.9588 7.9605 12.1520 12.1533 12.4201 12.4234 13.1642 13.1677 14.0157 14.0195 14.4262 14.4281 k = 0.1771 0.1022-0.0000 ( 3378 PWs) bands (ev): -20.9542 -20.9540 -20.5037 -20.5034 -20.4886 -20.4884 -12.7493 -12.7480 -12.7285 -12.7271 -11.0072 -11.0067 -7.8806 -7.8805 -6.0215 -6.0211 -5.9860 -5.9857 -2.4878 -2.4809 -2.0014 -1.9973 -1.7729 -1.7643 -1.2972 -1.2843 -1.0593 -1.0511 -0.9358 -0.9267 2.2454 2.2483 2.4440 2.4465 3.5663 3.5699 3.8717 3.8749 4.9549 4.9642 5.0608 5.0673 6.4917 6.4930 7.7050 7.7061 7.9757 7.9775 12.1188 12.1203 12.4107 12.4140 13.1447 13.1482 13.9883 13.9918 14.4131 14.4154 k = 0.1875 0.1083-0.0000 ( 3374 PWs) bands (ev): -20.9497 -20.9495 -20.5036 -20.5032 -20.4867 -20.4865 -12.7591 -12.7577 -12.7362 -12.7347 -11.0106 -11.0101 -7.8721 -7.8720 -6.0155 -6.0151 -5.9759 -5.9755 -2.5270 -2.5203 -2.0094 -2.0051 -1.7821 -1.7738 -1.3229 -1.3100 -1.0691 -1.0609 -0.9340 -0.9255 2.2637 2.2666 2.4882 2.4908 3.5834 3.5873 3.8899 3.8932 4.9670 4.9768 5.0830 5.0898 6.4975 6.4988 7.7009 7.7021 7.9923 7.9941 12.0844 12.0860 12.3990 12.4023 13.1258 13.1294 13.9653 13.9685 14.3988 14.4017 k = 0.1979 0.1143-0.0000 ( 3372 PWs) bands (ev): -20.9451 -20.9448 -20.5034 -20.5031 -20.4848 -20.4846 -12.7692 -12.7677 -12.7441 -12.7425 -11.0141 -11.0136 -7.8633 -7.8632 -6.0094 -6.0090 -5.9653 -5.9650 -2.5660 -2.5595 -2.0174 -2.0129 -1.7927 -1.7847 -1.3491 -1.3363 -1.0804 -1.0723 -0.9306 -0.9227 2.2813 2.2842 2.5333 2.5361 3.6015 3.6057 3.9080 3.9114 4.9802 4.9905 5.1061 5.1130 6.5045 6.5058 7.6975 7.6986 8.0084 8.0101 12.0491 12.0509 12.3845 12.3879 13.1075 13.1111 13.9470 13.9498 14.3831 14.3865 k = 0.2083 0.1203-0.0000 ( 3378 PWs) bands (ev): -20.9403 -20.9400 -20.5033 -20.5029 -20.4829 -20.4827 -12.7794 -12.7780 -12.7520 -12.7505 -11.0177 -11.0171 -7.8542 -7.8541 -6.0032 -6.0028 -5.9546 -5.9542 -2.6047 -2.5985 -2.0253 -2.0206 -1.8044 -1.7968 -1.3756 -1.3629 -1.0929 -1.0851 -0.9259 -0.9186 2.2979 2.3008 2.5792 2.5821 3.6204 3.6249 3.9258 3.9293 4.9945 5.0053 5.1297 5.1369 6.5129 6.5142 7.6947 7.6959 8.0236 8.0254 12.0132 12.0151 12.3673 12.3707 13.0898 13.0935 13.9330 13.9354 14.3660 14.3700 k = 0.2188 0.1263-0.0000 ( 3382 PWs) bands (ev): -20.9354 -20.9351 -20.5033 -20.5029 -20.4810 -20.4808 -12.7899 -12.7884 -12.7601 -12.7586 -11.0213 -11.0208 -7.8449 -7.8448 -5.9970 -5.9965 -5.9435 -5.9432 -2.6431 -2.6371 -2.0331 -2.0281 -1.8173 -1.8100 -1.4025 -1.3898 -1.1064 -1.0988 -0.9200 -0.9133 2.3136 2.3164 2.6257 2.6287 3.6403 3.6451 3.9433 3.9469 5.0098 5.0210 5.1540 5.1613 6.5228 6.5240 7.6926 7.6938 8.0379 8.0397 11.9770 11.9790 12.3471 12.3506 13.0730 13.0768 13.9231 13.9252 14.3477 14.3521 k = 0.2292 0.1323-0.0000 ( 3390 PWs) bands (ev): -20.9304 -20.9301 -20.5032 -20.5028 -20.4790 -20.4788 -12.8005 -12.7990 -12.7683 -12.7667 -11.0250 -11.0245 -7.8354 -7.8353 -5.9908 -5.9903 -5.9323 -5.9320 -2.6811 -2.6752 -2.0407 -2.0355 -1.8311 -1.8241 -1.4295 -1.4169 -1.1207 -1.1133 -0.9133 -0.9071 2.3280 2.3308 2.6725 2.6757 3.6610 3.6662 3.9604 3.9641 5.0261 5.0378 5.1786 5.1861 6.5343 6.5355 7.6913 7.6924 8.0512 8.0529 11.9408 11.9429 12.3240 12.3276 13.0574 13.0613 13.9165 13.9182 14.3284 14.3332 k = 0.2396 0.1383-0.0000 ( 3378 PWs) bands (ev): -20.9253 -20.9250 -20.5032 -20.5027 -20.4769 -20.4767 -12.8112 -12.8098 -12.7765 -12.7749 -11.0287 -11.0282 -7.8257 -7.8256 -5.9845 -5.9840 -5.9209 -5.9206 -2.7184 -2.7128 -2.0482 -2.0427 -1.8456 -1.8389 -1.4566 -1.4442 -1.1354 -1.1283 -0.9059 -0.9002 2.3412 2.3439 2.7195 2.7229 3.6826 3.6881 3.9770 3.9807 5.0435 5.0556 5.2034 5.2110 6.5475 6.5486 7.6907 7.6918 8.0631 8.0649 11.9049 11.9070 12.2978 12.3015 13.0434 13.0474 13.9120 13.9134 14.3087 14.3138 k = 0.2500 0.1443-0.0000 ( 3386 PWs) bands (ev): -20.9202 -20.9198 -20.5032 -20.5028 -20.4749 -20.4747 -12.8220 -12.8205 -12.7847 -12.7831 -11.0324 -11.0319 -7.8159 -7.8158 -5.9784 -5.9778 -5.9094 -5.9091 -2.7552 -2.7497 -2.0554 -2.0497 -1.8607 -1.8542 -1.4837 -1.4715 -1.1505 -1.1437 -0.8981 -0.8927 2.3531 2.3557 2.7664 2.7699 3.7050 3.7108 3.9931 3.9968 5.0618 5.0743 5.2283 5.2360 6.5624 6.5635 7.6909 7.6920 8.0737 8.0754 11.8694 11.8715 12.2688 12.2725 13.0314 13.0354 13.9082 13.9093 14.2895 14.2947 k = 0.2604 0.1504-0.0000 ( 3380 PWs) bands (ev): -20.9150 -20.9147 -20.5032 -20.5028 -20.4729 -20.4727 -12.8327 -12.8313 -12.7928 -12.7913 -11.0361 -11.0356 -7.8059 -7.8059 -5.9722 -5.9717 -5.8979 -5.8975 -2.7912 -2.7859 -2.0624 -2.0564 -1.8762 -1.8700 -1.5108 -1.4987 -1.1658 -1.1592 -0.8898 -0.8849 2.3635 2.3660 2.8131 2.8167 3.7280 3.7341 4.0086 4.0124 5.0810 5.0939 5.2531 5.2610 6.5792 6.5802 7.6918 7.6928 8.0827 8.0844 11.8346 11.8368 12.2370 12.2408 13.0215 13.0256 13.9032 13.9041 14.2719 14.2773 k = 0.2708 0.1564-0.0000 ( 3394 PWs) bands (ev): -20.9098 -20.9095 -20.5033 -20.5029 -20.4709 -20.4707 -12.8434 -12.8420 -12.8009 -12.7994 -11.0398 -11.0393 -7.7960 -7.7959 -5.9662 -5.9657 -5.8864 -5.8860 -2.8263 -2.8213 -2.0692 -2.0629 -1.8920 -1.8859 -1.5378 -1.5258 -1.1811 -1.1748 -0.8813 -0.8767 2.3726 2.3750 2.8592 2.8630 3.7515 3.7579 4.0234 4.0272 5.1010 5.1142 5.2776 5.2856 6.5979 6.5989 7.6934 7.6943 8.0900 8.0917 11.8008 11.8030 12.2027 12.2066 13.0140 13.0182 13.8949 13.8959 14.2574 14.2630 k = 0.2812 0.1624-0.0000 ( 3398 PWs) bands (ev): -20.9046 -20.9043 -20.5034 -20.5030 -20.4689 -20.4687 -12.8541 -12.8527 -12.8089 -12.8074 -11.0435 -11.0430 -7.7860 -7.7859 -5.9603 -5.9598 -5.8749 -5.8745 -2.8605 -2.8557 -2.0757 -2.0691 -1.9079 -1.9019 -1.5645 -1.5527 -1.1964 -1.1904 -0.8727 -0.8684 2.3803 2.3826 2.9047 2.9086 3.7754 3.7821 4.0377 4.0415 5.1218 5.1352 5.3018 5.3099 6.6187 6.6195 7.6955 7.6963 8.0957 8.0973 11.7681 11.7703 12.1663 12.1703 13.0091 13.0133 13.8815 13.8826 14.2476 14.2533 k = 0.2917 0.1684-0.0000 ( 3402 PWs) bands (ev): -20.8995 -20.8991 -20.5035 -20.5031 -20.4669 -20.4667 -12.8645 -12.8632 -12.8167 -12.8153 -11.0471 -11.0466 -7.7761 -7.7760 -5.9546 -5.9540 -5.8635 -5.8631 -2.8937 -2.8891 -2.0819 -2.0750 -1.9237 -1.9178 -1.5910 -1.5793 -1.2115 -1.2057 -0.8640 -0.8600 2.3867 2.3888 2.9493 2.9533 3.7996 3.8065 4.0514 4.0552 5.1432 5.1568 5.3254 5.3336 6.6414 6.6422 7.6981 7.6988 8.0995 8.1010 11.7366 11.7388 12.1282 12.1323 13.0067 13.0109 13.8618 13.8631 14.2432 14.2489 k = 0.3021 0.1744-0.0000 ( 3396 PWs) bands (ev): -20.8943 -20.8940 -20.5037 -20.5033 -20.4649 -20.4647 -12.8748 -12.8735 -12.8244 -12.8230 -11.0507 -11.0502 -7.7662 -7.7661 -5.9490 -5.9484 -5.8522 -5.8519 -2.9258 -2.9214 -2.0879 -2.0807 -1.9393 -1.9333 -1.6171 -1.6056 -1.2263 -1.2208 -0.8553 -0.8515 2.3918 2.3938 2.9928 2.9969 3.8238 3.8309 4.0645 4.0683 5.1650 5.1789 5.3485 5.3567 6.6662 6.6669 7.7009 7.7016 8.1015 8.1030 11.7066 11.7088 12.0888 12.0929 13.0067 13.0109 13.8354 13.8368 14.2442 14.2499 k = 0.3125 0.1804-0.0000 ( 3392 PWs) bands (ev): -20.8893 -20.8889 -20.5039 -20.5035 -20.4630 -20.4628 -12.8849 -12.8836 -12.8319 -12.8305 -11.0542 -11.0537 -7.7564 -7.7563 -5.9436 -5.9430 -5.8412 -5.8408 -2.9568 -2.9526 -2.0937 -2.0862 -1.9545 -1.9483 -1.6428 -1.6315 -1.2408 -1.2356 -0.8466 -0.8432 2.3957 2.3976 3.0350 3.0391 3.8479 3.8551 4.0771 4.0808 5.1873 5.2012 5.3707 5.3790 6.6930 6.6937 7.7039 7.7044 8.1017 8.1032 11.6781 11.6803 12.0486 12.0527 13.0091 13.0132 13.8030 13.8045 14.2496 14.2551 k = 0.3229 0.1864-0.0000 ( 3390 PWs) bands (ev): -20.8843 -20.8840 -20.5041 -20.5037 -20.4611 -20.4610 -12.8946 -12.8934 -12.8391 -12.8378 -11.0576 -11.0571 -7.7468 -7.7468 -5.9384 -5.9378 -5.8304 -5.8301 -2.9864 -2.9825 -2.0993 -2.0915 -1.9691 -1.9626 -1.6680 -1.6569 -1.2548 -1.2499 -0.8381 -0.8349 2.3986 2.4004 3.0758 3.0800 3.8717 3.8790 4.0891 4.0928 5.2097 5.2237 5.3922 5.4005 6.7218 6.7226 7.7068 7.7072 8.1002 8.1016 11.6512 11.6534 12.0079 12.0121 13.0136 13.0176 13.7656 13.7671 14.2576 14.2629 k = 0.3333 0.1925-0.0000 ( 3394 PWs) bands (ev): -20.8795 -20.8791 -20.5044 -20.5039 -20.4593 -20.4592 -12.9041 -12.9029 -12.8461 -12.8449 -11.0608 -11.0604 -7.7375 -7.7374 -5.9334 -5.9329 -5.8199 -5.8196 -3.0148 -3.0111 -2.1048 -2.0966 -1.9830 -1.9761 -1.6927 -1.6817 -1.2684 -1.2638 -0.8298 -0.8268 2.4004 2.4021 3.1150 3.1192 3.8950 3.9023 4.1007 4.1042 5.2322 5.2462 5.4127 5.4210 6.7526 6.7534 7.7092 7.7095 8.0971 8.0984 11.6261 11.6283 11.9673 11.9715 13.0201 13.0240 13.7246 13.7262 14.2664 14.2714 k = 0.3438 0.1985-0.0000 ( 3392 PWs) bands (ev): -20.8748 -20.8744 -20.5046 -20.5042 -20.4576 -20.4574 -12.9132 -12.9121 -12.8528 -12.8516 -11.0640 -11.0636 -7.7284 -7.7283 -5.9287 -5.9282 -5.8097 -5.8094 -3.0418 -3.0383 -2.1102 -2.1018 -1.9957 -1.9885 -1.7168 -1.7060 -1.2814 -1.2771 -0.8218 -0.8190 2.4015 2.4030 3.1524 3.1565 3.9176 3.9249 4.1118 4.1151 5.2546 5.2685 5.4322 5.4405 6.7853 6.7861 7.7109 7.7112 8.0926 8.0938 11.6028 11.6049 11.9271 11.9312 13.0282 13.0320 13.6813 13.6830 14.2742 14.2789 k = 0.3542 0.2045-0.0000 ( 3396 PWs) bands (ev): -20.8702 -20.8699 -20.5049 -20.5045 -20.4559 -20.4558 -12.9219 -12.9209 -12.8592 -12.8581 -11.0670 -11.0666 -7.7196 -7.7195 -5.9243 -5.9238 -5.8000 -5.7997 -3.0673 -3.0640 -2.1156 -2.1070 -2.0073 -1.9996 -1.7402 -1.7296 -1.2938 -1.2898 -0.8141 -0.8115 2.4017 2.4031 3.1878 3.1920 3.9393 3.9466 4.1224 4.1256 5.2768 5.2906 5.4505 5.4589 6.8199 6.8208 7.7113 7.7117 8.0869 8.0880 11.5813 11.5834 11.8876 11.8917 13.0378 13.0414 13.6369 13.6386 14.2796 14.2837 k = 0.3646 0.2105-0.0000 ( 3400 PWs) bands (ev): -20.8659 -20.8656 -20.5053 -20.5049 -20.4544 -20.4542 -12.9302 -12.9292 -12.8653 -12.8643 -11.0699 -11.0695 -7.7111 -7.7111 -5.9201 -5.9196 -5.7907 -5.7904 -3.0913 -3.0882 -2.1212 -2.1125 -2.0173 -2.0093 -1.7630 -1.7525 -1.3055 -1.3018 -0.8067 -0.8043 2.4013 2.4026 3.2213 3.2254 3.9601 3.9671 4.1326 4.1355 5.2985 5.3121 5.4678 5.4761 6.8562 6.8572 7.7101 7.7107 8.0803 8.0813 11.5617 11.5638 11.8491 11.8532 13.0485 13.0520 13.5923 13.5941 14.2814 14.2851 k = 0.3750 0.2165-0.0000 ( 3406 PWs) bands (ev): -20.8617 -20.8614 -20.5056 -20.5052 -20.4529 -20.4527 -12.9380 -12.9371 -12.8711 -12.8701 -11.0726 -11.0723 -7.7031 -7.7030 -5.9162 -5.9157 -5.7819 -5.7816 -3.1138 -3.1109 -2.1268 -2.1182 -2.0257 -2.0174 -1.7849 -1.7747 -1.3166 -1.3131 -0.7997 -0.7975 2.4005 2.4017 3.2526 3.2565 3.9796 3.9865 4.1424 4.1450 5.3196 5.3329 5.4839 5.4921 6.8941 6.8952 7.7068 7.7077 8.0733 8.0741 11.5441 11.5462 11.8120 11.8160 13.0600 13.0633 13.5485 13.5504 14.2793 14.2828 k = 0.3854 0.2225-0.0000 ( 3412 PWs) bands (ev): -20.8578 -20.8575 -20.5059 -20.5055 -20.4515 -20.4513 -12.9453 -12.9445 -12.8764 -12.8755 -11.0752 -11.0748 -7.6955 -7.6955 -5.9126 -5.9122 -5.7736 -5.7733 -3.1346 -3.1320 -2.1326 -2.1243 -2.0323 -2.0238 -1.8061 -1.7960 -1.3269 -1.3237 -0.7931 -0.7911 2.3992 2.4003 3.2816 3.2854 3.9979 4.0045 4.1517 4.1541 5.3400 5.3529 5.4987 5.5068 6.9335 6.9347 7.7010 7.7021 8.0661 8.0668 11.5284 11.5306 11.7764 11.7803 13.0721 13.0751 13.5063 13.5083 14.2736 14.2770 k = 0.3958 0.2285-0.0000 ( 3412 PWs) bands (ev): -20.8542 -20.8539 -20.5062 -20.5059 -20.4502 -20.4500 -12.9521 -12.9513 -12.8814 -12.8805 -11.0775 -11.0772 -7.6884 -7.6884 -5.9093 -5.9089 -5.7658 -5.7656 -3.1538 -3.1514 -2.1384 -2.1306 -2.0371 -2.0285 -1.8263 -1.8165 -1.3363 -1.3334 -0.7869 -0.7851 2.3976 2.3986 3.3083 3.3119 4.0148 4.0210 4.1605 4.1626 5.3596 5.3720 5.5123 5.5202 6.9742 6.9755 7.6922 7.6936 8.0593 8.0598 11.5148 11.5170 11.7426 11.7464 13.0842 13.0870 13.4663 13.4685 14.2648 14.2683 k = 0.4062 0.2345-0.0000 ( 3408 PWs) bands (ev): -20.8508 -20.8505 -20.5065 -20.5062 -20.4490 -20.4489 -12.9583 -12.9576 -12.8859 -12.8851 -11.0797 -11.0794 -7.6819 -7.6818 -5.9063 -5.9059 -5.7587 -5.7585 -3.1713 -3.1691 -2.1443 -2.1371 -2.0401 -2.0316 -1.8456 -1.8361 -1.3450 -1.3424 -0.7813 -0.7797 2.3959 2.3968 3.3326 3.3360 4.0303 4.0361 4.1688 4.1706 5.3780 5.3898 5.5246 5.5323 7.0160 7.0175 7.6799 7.6816 8.0531 8.0535 11.5032 11.5054 11.7108 11.7145 13.0960 13.0985 13.4294 13.4317 14.2538 14.2573 k = 0.4167 0.2406-0.0000 ( 3416 PWs) bands (ev): -20.8477 -20.8475 -20.5068 -20.5065 -20.4479 -20.4478 -12.9640 -12.9633 -12.8900 -12.8893 -11.0816 -11.0814 -7.6759 -7.6758 -5.9036 -5.9033 -5.7522 -5.7520 -3.1870 -3.1850 -2.1500 -2.1436 -2.0414 -2.0332 -1.8639 -1.8546 -1.3528 -1.3505 -0.7761 -0.7747 2.3941 2.3949 3.3544 3.3576 4.0442 4.0496 4.1764 4.1780 5.3952 5.4063 5.5356 5.5429 7.0588 7.0604 7.6640 7.6659 8.0478 8.0481 11.4937 11.4959 11.6811 11.6846 13.1070 13.1091 13.3960 13.3985 14.2412 14.2448 k = 0.4271 0.2466-0.0000 ( 3416 PWs) bands (ev): -20.8449 -20.8447 -20.5071 -20.5069 -20.4469 -20.4468 -12.9690 -12.9684 -12.8936 -12.8930 -11.0834 -11.0832 -7.6705 -7.6705 -5.9012 -5.9009 -5.7464 -5.7463 -3.2009 -3.1992 -2.1554 -2.1498 -2.0413 -2.0333 -1.8811 -1.8721 -1.3597 -1.3577 -0.7715 -0.7703 2.3923 2.3930 3.3738 3.3766 4.0566 4.0614 4.1834 4.1848 5.4111 5.4213 5.5454 5.5522 7.1023 7.1039 7.6444 7.6465 8.0436 8.0437 11.4862 11.4884 11.6536 11.6569 13.1166 13.1184 13.3670 13.3695 14.2280 14.2315 k = 0.4375 0.2526-0.0000 ( 3416 PWs) bands (ev): -20.8425 -20.8423 -20.5073 -20.5071 -20.4460 -20.4460 -12.9734 -12.9729 -12.8968 -12.8963 -11.0849 -11.0847 -7.6658 -7.6657 -5.8992 -5.8989 -5.7414 -5.7412 -3.2130 -3.2116 -2.1604 -2.1556 -2.0398 -2.0321 -1.8970 -1.8885 -1.3658 -1.3640 -0.7674 -0.7664 2.3906 2.3912 3.3906 3.3931 4.0675 4.0717 4.1897 4.1908 5.4254 5.4346 5.5538 5.5601 7.1462 7.1480 7.6211 7.6233 8.0403 8.0403 11.4808 11.4829 11.6286 11.6317 13.1244 13.1259 13.3427 13.3453 14.2149 14.2182 k = 0.4479 0.2586-0.0000 ( 3416 PWs) bands (ev): -20.8404 -20.8402 -20.5076 -20.5074 -20.4453 -20.4453 -12.9771 -12.9767 -12.8995 -12.8991 -11.0862 -11.0861 -7.6617 -7.6617 -5.8974 -5.8972 -5.7370 -5.7369 -3.2233 -3.2221 -2.1647 -2.1608 -2.0373 -2.0300 -1.9115 -1.9035 -1.3709 -1.3694 -0.7640 -0.7631 2.3890 2.3895 3.4048 3.4070 4.0767 4.0803 4.1952 4.1960 5.4380 5.4461 5.5610 5.5666 7.1903 7.1922 7.5943 7.5967 8.0380 8.0380 11.4773 11.4793 11.6062 11.6091 13.1300 13.1312 13.3235 13.3261 14.2026 14.2056 k = 0.4583 0.2646-0.0000 ( 3420 PWs) bands (ev): -20.8386 -20.8385 -20.5078 -20.5076 -20.4447 -20.4447 -12.9802 -12.9799 -12.9018 -12.9014 -11.0873 -11.0872 -7.6583 -7.6583 -5.8960 -5.8958 -5.7334 -5.7333 -3.2317 -3.2307 -2.1684 -2.1653 -2.0339 -2.0272 -1.9244 -1.9171 -1.3750 -1.3739 -0.7611 -0.7604 2.3877 2.3881 3.4166 3.4183 4.0843 4.0873 4.1997 4.2004 5.4487 5.4555 5.5669 5.5716 7.2341 7.2361 7.5645 7.5669 8.0364 8.0364 11.4756 11.4775 11.5867 11.5893 13.1332 13.1343 13.3094 13.3118 14.1916 14.1942 k = 0.4688 0.2706-0.0000 ( 3424 PWs) bands (ev): -20.8373 -20.8372 -20.5079 -20.5078 -20.4443 -20.4442 -12.9826 -12.9823 -12.9035 -12.9032 -11.0881 -11.0880 -7.6557 -7.6557 -5.8949 -5.8947 -5.7306 -5.7305 -3.2383 -3.2375 -2.1713 -2.1689 -2.0299 -2.0241 -1.9353 -1.9290 -1.3783 -1.3774 -0.7588 -0.7583 2.3866 2.3869 3.4257 3.4270 4.0904 4.0926 4.2034 4.2038 5.4575 5.4628 5.5716 5.5753 7.2772 7.2793 7.5322 7.5346 8.0354 8.0355 11.4754 11.4771 11.5704 11.5726 13.1345 13.1354 13.3000 13.3020 14.1826 14.1846 k = 0.4792 0.2766-0.0000 ( 3408 PWs) bands (ev): -20.8363 -20.8362 -20.5080 -20.5079 -20.4439 -20.4439 -12.9843 -12.9841 -12.9047 -12.9045 -11.0887 -11.0886 -7.6538 -7.6538 -5.8940 -5.8940 -5.7286 -5.7285 -3.2429 -3.2424 -2.1733 -2.1717 -2.0258 -2.0213 -1.9435 -1.9387 -1.3805 -1.3799 -0.7571 -0.7568 2.3858 2.3860 3.4323 3.4332 4.0948 4.0963 4.2060 4.2064 5.4642 5.4678 5.5752 5.5778 7.3187 7.3207 7.4986 7.5008 8.0349 8.0349 11.4764 11.4777 11.5579 11.5596 13.1347 13.1353 13.2944 13.2958 14.1759 14.1773 k = 0.4896 0.2827-0.0000 ( 3412 PWs) bands (ev): -20.8357 -20.8356 -20.5080 -20.5080 -20.4437 -20.4437 -12.9853 -12.9852 -12.9054 -12.9053 -11.0891 -11.0890 -7.6527 -7.6526 -5.8936 -5.8935 -5.7273 -5.7273 -3.2456 -3.2454 -2.1743 -2.1736 -2.0222 -2.0198 -1.9484 -1.9457 -1.3818 -1.3816 -0.7561 -0.7559 2.3854 2.3854 3.4364 3.4369 4.0976 4.0984 4.2077 4.2078 5.4686 5.4705 5.5776 5.5789 7.3556 7.3573 7.4666 7.4684 8.0346 8.0346 11.4777 11.4785 11.5500 11.5510 13.1344 13.1347 13.2917 13.2924 14.1719 14.1726 k = 0.5000 0.2887-0.0000 ( 3426 PWs) bands (ev): -20.8355 -20.8355 -20.5080 -20.5080 -20.4436 -20.4436 -12.9856 -12.9856 -12.9057 -12.9057 -11.0892 -11.0892 -7.6523 -7.6523 -5.8934 -5.8934 -5.7269 -5.7269 -3.2465 -3.2465 -2.1744 -2.1744 -2.0200 -2.0200 -1.9491 -1.9491 -1.3822 -1.3822 -0.7557 -0.7557 2.3852 2.3852 3.4379 3.4379 4.0988 4.0988 4.2082 4.2082 5.4707 5.4707 5.5788 5.5788 7.3754 7.3754 7.4500 7.4500 8.0345 8.0345 11.4786 11.4786 11.5476 11.5476 13.1343 13.1343 13.2911 13.2911 14.1708 14.1708 k = 0.5000 0.2887-0.0000 ( 3426 PWs) bands (ev): -20.8355 -20.8355 -20.5080 -20.5080 -20.4436 -20.4436 -12.9856 -12.9856 -12.9057 -12.9057 -11.0892 -11.0892 -7.6523 -7.6523 -5.8934 -5.8934 -5.7269 -5.7269 -3.2465 -3.2465 -2.1744 -2.1744 -2.0200 -2.0200 -1.9491 -1.9491 -1.3822 -1.3822 -0.7557 -0.7557 2.3852 2.3852 3.4379 3.4379 4.0988 4.0988 4.2082 4.2082 5.4707 5.4707 5.5788 5.5788 7.3754 7.3754 7.4500 7.4500 8.0345 8.0345 11.4786 11.4786 11.5476 11.5476 13.1343 13.1343 13.2911 13.2911 14.1708 14.1708 k = 0.4940 0.2990-0.0000 ( 3422 PWs) bands (ev): -20.8354 -20.8354 -20.5080 -20.5080 -20.4437 -20.4437 -12.9856 -12.9856 -12.9058 -12.9058 -11.0893 -11.0893 -7.6522 -7.6522 -5.8932 -5.8931 -5.7270 -5.7270 -3.2459 -3.2459 -2.1760 -2.1751 -2.0222 -2.0208 -1.9494 -1.9493 -1.3810 -1.3804 -0.7564 -0.7563 2.3871 2.3871 3.4383 3.4387 4.0980 4.0981 4.2085 4.2090 5.4702 5.4703 5.5778 5.5780 7.3761 7.3761 7.4504 7.4505 8.0346 8.0346 11.4791 11.4791 11.5483 11.5483 13.1214 13.1265 13.2997 13.3048 14.1696 14.1698 k = 0.4881 0.3093-0.0000 ( 3422 PWs) bands (ev): -20.8353 -20.8352 -20.5078 -20.5078 -20.4438 -20.4438 -12.9856 -12.9856 -12.9063 -12.9063 -11.0895 -11.0895 -7.6519 -7.6519 -5.8925 -5.8924 -5.7272 -5.7271 -3.2443 -3.2442 -2.1797 -2.1779 -2.0272 -2.0243 -1.9501 -1.9498 -1.3768 -1.3756 -0.7584 -0.7581 2.3928 2.3928 3.4400 3.4408 4.0956 4.0958 4.2097 4.2108 5.4689 5.4690 5.5750 5.5753 7.3780 7.3780 7.4515 7.4517 8.0347 8.0348 11.4807 11.4808 11.5503 11.5504 13.0948 13.1026 13.3257 13.3336 14.1664 14.1667 k = 0.4821 0.3196-0.0000 ( 3418 PWs) bands (ev): -20.8350 -20.8350 -20.5075 -20.5074 -20.4440 -20.4440 -12.9856 -12.9856 -12.9070 -12.9070 -11.0900 -11.0900 -7.6515 -7.6515 -5.8914 -5.8913 -5.7274 -5.7274 -3.2415 -3.2413 -2.1859 -2.1832 -2.0345 -2.0303 -1.9512 -1.9508 -1.3698 -1.3681 -0.7616 -0.7611 2.4022 2.4022 3.4428 3.4440 4.0916 4.0919 4.2120 4.2137 5.4666 5.4669 5.5703 5.5707 7.3812 7.3813 7.4534 7.4536 8.0349 8.0350 11.4834 11.4835 11.5537 11.5539 13.0623 13.0712 13.3608 13.3698 14.1613 14.1617 k = 0.4762 0.3299-0.0000 ( 3410 PWs) bands (ev): -20.8346 -20.8346 -20.5070 -20.5070 -20.4443 -20.4443 -12.9857 -12.9856 -12.9081 -12.9081 -11.0906 -11.0906 -7.6509 -7.6508 -5.8898 -5.8896 -5.7278 -5.7277 -3.2376 -3.2374 -2.1947 -2.1913 -2.0434 -2.0381 -1.9528 -1.9522 -1.3603 -1.3581 -0.7660 -0.7653 2.4153 2.4153 3.4466 3.4482 4.0862 4.0866 4.2156 4.2177 5.4636 5.4639 5.5639 5.5644 7.3856 7.3857 7.4560 7.4563 8.0353 8.0354 11.4872 11.4872 11.5584 11.5586 13.0276 13.0370 13.4001 13.4098 14.1544 14.1550 k = 0.4702 0.3402-0.0000 ( 3414 PWs) bands (ev): -20.8342 -20.8341 -20.5064 -20.5064 -20.4447 -20.4447 -12.9857 -12.9857 -12.9095 -12.9095 -11.0914 -11.0913 -7.6501 -7.6501 -5.8878 -5.8876 -5.7283 -5.7282 -3.2326 -3.2324 -2.2064 -2.2025 -2.0532 -2.0469 -1.9547 -1.9540 -1.3487 -1.3461 -0.7716 -0.7707 2.4319 2.4320 3.4512 3.4532 4.0792 4.0797 4.2204 4.2230 5.4596 5.4601 5.5556 5.5563 7.3912 7.3913 7.4593 7.4597 8.0357 8.0359 11.4919 11.4919 11.5641 11.5644 12.9923 13.0019 13.4418 13.4517 14.1461 14.1468 k = 0.4643 0.3505-0.0000 ( 3406 PWs) bands (ev): -20.8336 -20.8335 -20.5057 -20.5057 -20.4452 -20.4452 -12.9857 -12.9857 -12.9111 -12.9111 -11.0923 -11.0923 -7.6491 -7.6491 -5.8853 -5.8851 -5.7289 -5.7288 -3.2266 -3.2262 -2.2212 -2.2171 -2.0630 -2.0562 -1.9570 -1.9562 -1.3354 -1.3325 -0.7782 -0.7772 2.4521 2.4522 3.4564 3.4587 4.0708 4.0714 4.2268 4.2299 5.4549 5.4554 5.5457 5.5465 7.3979 7.3981 7.4633 7.4638 8.0363 8.0365 11.4974 11.4975 11.5707 11.5711 12.9573 12.9670 13.4849 13.4949 14.1369 14.1376 k = 0.4583 0.3608-0.0000 ( 3404 PWs) bands (ev): -20.8329 -20.8329 -20.5049 -20.5048 -20.4457 -20.4457 -12.9858 -12.9857 -12.9130 -12.9130 -11.0934 -11.0933 -7.6480 -7.6480 -5.8824 -5.8822 -5.7297 -5.7295 -3.2194 -3.2190 -2.2394 -2.2352 -2.0722 -2.0652 -1.9597 -1.9588 -1.3208 -1.3177 -0.7859 -0.7847 2.4757 2.4758 3.4618 3.4644 4.0610 4.0617 4.2349 4.2384 5.4493 5.4499 5.5341 5.5350 7.4057 7.4058 7.4679 7.4685 8.0369 8.0371 11.5038 11.5039 11.5781 11.5785 12.9231 12.9328 13.5288 13.5389 14.1269 14.1278 k = 0.4524 0.3712-0.0000 ( 3412 PWs) bands (ev): -20.8322 -20.8321 -20.5040 -20.5039 -20.4464 -20.4464 -12.9858 -12.9857 -12.9152 -12.9152 -11.0946 -11.0945 -7.6468 -7.6468 -5.8792 -5.8789 -5.7305 -5.7303 -3.2112 -3.2107 -2.2607 -2.2568 -2.0806 -2.0737 -1.9627 -1.9617 -1.3052 -1.3019 -0.7945 -0.7931 2.5024 2.5026 3.4671 3.4700 4.0499 4.0506 4.2448 4.2488 5.4430 5.4437 5.5209 5.5220 7.4144 7.4145 7.4731 7.4738 8.0377 8.0379 11.5109 11.5110 11.5860 11.5864 12.8899 12.8995 13.5734 13.5835 14.1169 14.1178 k = 0.4464 0.3815-0.0000 ( 3412 PWs) bands (ev): -20.8314 -20.8313 -20.5029 -20.5029 -20.4471 -20.4471 -12.9858 -12.9857 -12.9176 -12.9176 -11.0959 -11.0958 -7.6454 -7.6454 -5.8755 -5.8752 -5.7315 -5.7313 -3.2019 -3.2013 -2.2849 -2.2814 -2.0881 -2.0815 -1.9661 -1.9650 -1.2890 -1.2855 -0.8039 -0.8024 2.5322 2.5324 3.4721 3.4752 4.0375 4.0383 4.2570 4.2613 5.4359 5.4367 5.5063 5.5074 7.4240 7.4241 7.4788 7.4796 8.0385 8.0387 11.5186 11.5188 11.5941 11.5945 12.8579 12.8674 13.6183 13.6283 14.1071 14.1081 k = 0.4405 0.3918-0.0000 ( 3404 PWs) bands (ev): -20.8305 -20.8304 -20.5018 -20.5017 -20.4479 -20.4479 -12.9858 -12.9857 -12.9202 -12.9202 -11.0973 -11.0972 -7.6439 -7.6439 -5.8715 -5.8712 -5.7326 -5.7324 -3.1916 -3.1909 -2.3116 -2.3087 -2.0947 -2.0885 -1.9698 -1.9686 -1.2723 -1.2687 -0.8141 -0.8124 2.5649 2.5650 3.4764 3.4797 4.0240 4.0249 4.2714 4.2760 5.4281 5.4290 5.4903 5.4915 7.4343 7.4344 7.4850 7.4858 8.0394 8.0396 11.5268 11.5270 11.6022 11.6027 12.8275 12.8368 13.6634 13.6733 14.0980 14.0992 k = 0.4345 0.4021-0.0000 ( 3400 PWs) bands (ev): -20.8295 -20.8294 -20.5005 -20.5004 -20.4488 -20.4487 -12.9858 -12.9857 -12.9230 -12.9230 -11.0988 -11.0987 -7.6422 -7.6422 -5.8672 -5.8669 -5.7339 -5.7336 -3.1802 -3.1795 -2.3404 -2.3380 -2.1006 -2.0949 -1.9737 -1.9725 -1.2555 -1.2518 -0.8249 -0.8231 2.6002 2.6004 3.4797 3.4831 4.0093 4.0103 4.2884 4.2932 5.4197 5.4206 5.4731 5.4743 7.4454 7.4454 7.4916 7.4925 8.0403 8.0404 11.5353 11.5355 11.6101 11.6106 12.7986 12.8078 13.7085 13.7182 14.0901 14.0913 k = 0.4286 0.4124-0.0000 ( 3402 PWs) bands (ev): -20.8285 -20.8284 -20.4992 -20.4991 -20.4497 -20.4497 -12.9857 -12.9856 -12.9260 -12.9260 -11.1004 -11.1003 -7.6405 -7.6405 -5.8626 -5.8623 -5.7353 -5.7350 -3.1679 -3.1671 -2.3708 -2.3689 -2.1060 -2.1008 -1.9780 -1.9767 -1.2386 -1.2349 -0.8363 -0.8344 2.6380 2.6381 3.4817 3.4851 3.9937 3.9947 4.3078 4.3128 5.4105 5.4116 5.4547 5.4560 7.4569 7.4570 7.4986 7.4994 8.0411 8.0413 11.5440 11.5443 11.6175 11.6180 12.7716 12.7805 13.7534 13.7630 14.0838 14.0850 k = 0.4226 0.4227-0.0000 ( 3410 PWs) bands (ev): -20.8275 -20.8274 -20.4977 -20.4977 -20.4507 -20.4507 -12.9857 -12.9856 -12.9292 -12.9291 -11.1020 -11.1019 -7.6387 -7.6387 -5.8578 -5.8574 -5.7368 -5.7365 -3.1546 -3.1537 -2.4024 -2.4011 -2.1109 -2.1062 -1.9825 -1.9811 -1.2219 -1.2181 -0.8481 -0.8461 2.6780 2.6780 3.4822 3.4856 3.9771 3.9782 4.3299 4.3349 5.4007 5.4019 5.4354 5.4367 7.4689 7.4690 7.5057 7.5067 8.0419 8.0421 11.5527 11.5531 11.6242 11.6248 12.7464 12.7551 13.7979 13.8073 14.0793 14.0806 k = 0.4167 0.4330-0.0000 ( 3414 PWs) bands (ev): -20.8264 -20.8263 -20.4962 -20.4962 -20.4518 -20.4518 -12.9856 -12.9855 -12.9324 -12.9324 -11.1036 -11.1035 -7.6369 -7.6369 -5.8527 -5.8523 -5.7385 -5.7381 -3.1403 -3.1394 -2.4349 -2.4341 -2.1155 -2.1112 -1.9872 -1.9858 -1.2054 -1.2016 -0.8603 -0.8581 2.7198 2.7199 3.4810 3.4844 3.9598 3.9609 4.3544 4.3595 5.3901 5.3915 5.4154 5.4166 7.4812 7.4813 7.5131 7.5141 8.0426 8.0428 11.5614 11.5618 11.6301 11.6306 12.7232 12.7317 13.8418 13.8510 14.0769 14.0783 k = 0.4107 0.4433-0.0000 ( 3414 PWs) bands (ev): -20.8253 -20.8252 -20.4947 -20.4946 -20.4530 -20.4530 -12.9855 -12.9854 -12.9358 -12.9358 -11.1052 -11.1051 -7.6350 -7.6350 -5.8474 -5.8470 -5.7403 -5.7400 -3.1252 -3.1242 -2.4680 -2.4676 -2.1198 -2.1160 -1.9920 -1.9906 -1.1892 -1.1855 -0.8727 -0.8704 2.7634 2.7634 3.4781 3.4813 3.9419 3.9430 4.3814 4.3864 5.3784 5.3801 5.3954 5.3964 7.4938 7.4939 7.5207 7.5216 8.0431 8.0432 11.5698 11.5703 11.6349 11.6355 12.7021 12.7103 13.8850 13.8940 14.0768 14.0782 k = 0.4048 0.4536-0.0000 ( 3422 PWs) bands (ev): -20.8242 -20.8241 -20.4931 -20.4930 -20.4542 -20.4542 -12.9853 -12.9852 -12.9392 -12.9392 -11.1068 -11.1067 -7.6331 -7.6331 -5.8420 -5.8415 -5.7423 -5.7419 -3.1091 -3.1080 -2.5014 -2.5014 -2.1239 -2.1205 -1.9969 -1.9955 -1.1734 -1.1697 -0.8853 -0.8829 2.8082 2.8082 3.4733 3.4764 3.9234 3.9246 4.4104 4.4154 5.3641 5.3664 5.3771 5.3775 7.5064 7.5066 7.5282 7.5293 8.0434 8.0434 11.5779 11.5784 11.6386 11.6392 12.6832 12.6911 13.9271 13.9359 14.0791 14.0805 k = 0.3988 0.4639-0.0000 ( 3422 PWs) bands (ev): -20.8231 -20.8230 -20.4914 -20.4913 -20.4555 -20.4555 -12.9851 -12.9850 -12.9427 -12.9426 -11.1084 -11.1083 -7.6311 -7.6311 -5.8364 -5.8359 -5.7444 -5.7440 -3.0922 -3.0911 -2.5352 -2.5349 -2.1277 -2.1247 -2.0019 -2.0004 -1.1580 -1.1543 -0.8980 -0.8955 2.8541 2.8542 3.4667 3.4696 3.9045 3.9058 4.4413 4.4461 5.3457 5.3481 5.3622 5.3625 7.5190 7.5193 7.5358 7.5369 8.0433 8.0433 11.5855 11.5860 11.6412 11.6418 12.6666 12.6740 13.9680 13.9764 14.0837 14.0852 k = 0.3929 0.4743-0.0000 ( 3418 PWs) bands (ev): -20.8220 -20.8219 -20.4896 -20.4895 -20.4568 -20.4568 -12.9848 -12.9847 -12.9461 -12.9461 -11.1099 -11.1098 -7.6292 -7.6292 -5.8308 -5.8302 -5.7467 -5.7463 -3.0745 -3.0733 -2.5689 -2.5682 -2.1314 -2.1288 -2.0068 -2.0054 -1.1431 -1.1394 -0.9106 -0.9080 2.9007 2.9008 3.4583 3.4610 3.8855 3.8868 4.4737 4.4782 5.3250 5.3273 5.3493 5.3497 7.5314 7.5319 7.5434 7.5444 8.0428 8.0428 11.5925 11.5930 11.6427 11.6433 12.6521 12.6592 14.0071 14.0152 14.0905 14.0919 k = 0.3869 0.4846-0.0000 ( 3414 PWs) bands (ev): -20.8209 -20.8209 -20.4879 -20.4878 -20.4582 -20.4582 -12.9844 -12.9843 -12.9495 -12.9495 -11.1114 -11.1113 -7.6274 -7.6274 -5.8251 -5.8245 -5.7491 -5.7487 -3.0561 -3.0547 -2.6022 -2.6012 -2.1348 -2.1325 -2.0117 -2.0103 -1.1287 -1.1251 -0.9231 -0.9205 2.9476 2.9477 3.4483 3.4507 3.8665 3.8678 4.5069 4.5112 5.3040 5.3061 5.3368 5.3373 7.5435 7.5442 7.5509 7.5518 8.0419 8.0419 11.5988 11.5994 11.6431 11.6436 12.6398 12.6464 14.0441 14.0518 14.0992 14.1006 k = 0.3810 0.4949-0.0000 ( 3410 PWs) bands (ev): -20.8199 -20.8199 -20.4861 -20.4860 -20.4596 -20.4596 -12.9840 -12.9839 -12.9529 -12.9529 -11.1127 -11.1127 -7.6256 -7.6256 -5.8194 -5.8188 -5.7518 -5.7513 -3.0369 -3.0354 -2.6349 -2.6337 -2.1380 -2.1361 -2.0164 -2.0151 -1.1148 -1.1112 -0.9355 -0.9328 2.9944 2.9946 3.4366 3.4388 3.8477 3.8490 4.5404 4.5444 5.2834 5.2854 5.3243 5.3248 7.5549 7.5561 7.5584 7.5590 8.0404 8.0405 11.6045 11.6050 11.6426 11.6430 12.6296 12.6356 14.0784 14.0858 14.1094 14.1108 k = 0.3750 0.5052-0.0000 ( 3422 PWs) bands (ev): -20.8190 -20.8189 -20.4843 -20.4842 -20.4611 -20.4611 -12.9835 -12.9834 -12.9562 -12.9561 -11.1140 -11.1139 -7.6239 -7.6239 -5.8138 -5.8131 -5.7545 -5.7541 -3.0170 -3.0154 -2.6670 -2.6655 -2.1410 -2.1393 -2.0209 -2.0196 -1.1014 -1.0979 -0.9476 -0.9449 3.0406 3.0409 3.4234 3.4253 3.8294 3.8306 4.5735 4.5771 5.2639 5.2658 5.3118 5.3123 7.5641 7.5659 7.5673 7.5674 8.0385 8.0386 11.6094 11.6099 11.6412 11.6416 12.6213 12.6268 14.1092 14.1162 14.1210 14.1224 k = 0.3690 0.5155-0.0000 ( 3420 PWs) bands (ev): -20.8181 -20.8181 -20.4826 -20.4824 -20.4626 -20.4626 -12.9829 -12.9828 -12.9593 -12.9593 -11.1151 -11.1150 -7.6224 -7.6224 -5.8082 -5.8076 -5.7575 -5.7570 -2.9965 -2.9948 -2.6983 -2.6965 -2.1437 -2.1423 -2.0250 -2.0239 -1.0886 -1.0851 -0.9594 -0.9568 3.0858 3.0862 3.4088 3.4105 3.8119 3.8131 4.6054 4.6086 5.2462 5.2479 5.2992 5.2996 7.5711 7.5726 7.5772 7.5777 8.0362 8.0363 11.6136 11.6141 11.6393 11.6396 12.6149 12.6197 14.1311 14.1334 14.1380 14.1436 k = 0.3631 0.5258-0.0000 ( 3414 PWs) bands (ev): -20.8173 -20.8173 -20.4808 -20.4806 -20.4641 -20.4641 -12.9822 -12.9821 -12.9623 -12.9622 -11.1161 -11.1160 -7.6210 -7.6210 -5.8028 -5.8021 -5.7605 -5.7601 -2.9754 -2.9736 -2.7286 -2.7266 -2.1460 -2.1449 -2.0288 -2.0278 -1.0764 -1.0729 -0.9709 -0.9683 3.1294 3.1298 3.3930 3.3944 3.7955 3.7967 4.6350 4.6378 5.2311 5.2327 5.2866 5.2869 7.5775 7.5789 7.5863 7.5870 8.0335 8.0336 11.6170 11.6176 11.6370 11.6372 12.6100 12.6142 14.1435 14.1452 14.1597 14.1653 k = 0.3571 0.5361-0.0000 ( 3418 PWs) bands (ev): -20.8167 -20.8166 -20.4790 -20.4789 -20.4656 -20.4656 -12.9814 -12.9813 -12.9650 -12.9649 -11.1169 -11.1169 -7.6198 -7.6198 -5.7976 -5.7969 -5.7638 -5.7633 -2.9537 -2.9518 -2.7579 -2.7557 -2.1480 -2.1471 -2.0321 -2.0312 -1.0647 -1.0613 -0.9820 -0.9794 3.1708 3.1712 3.3760 3.3771 3.7808 3.7818 4.6614 4.6637 5.2194 5.2207 5.2740 5.2742 7.5834 7.5848 7.5940 7.5949 8.0306 8.0308 11.6198 11.6203 11.6345 11.6346 12.6066 12.6100 14.1548 14.1564 14.1764 14.1814 k = 0.3512 0.5464-0.0000 ( 3406 PWs) bands (ev): -20.8161 -20.8161 -20.4773 -20.4772 -20.4672 -20.4671 -12.9805 -12.9805 -12.9674 -12.9673 -11.1176 -11.1175 -7.6188 -7.6188 -5.7926 -5.7918 -5.7671 -5.7667 -2.9317 -2.9296 -2.7861 -2.7836 -2.1496 -2.1489 -2.0347 -2.0341 -1.0537 -1.0502 -0.9925 -0.9901 3.2091 3.2095 3.3580 3.3589 3.7683 3.7692 4.6833 4.6851 5.2121 5.2131 5.2615 5.2616 7.5889 7.5903 7.6000 7.6009 8.0278 8.0280 11.6220 11.6224 11.6322 11.6322 12.6044 12.6070 14.1650 14.1665 14.1871 14.1913 k = 0.3452 0.5567-0.0000 ( 3416 PWs) bands (ev): -20.8157 -20.8157 -20.4757 -20.4755 -20.4687 -20.4686 -12.9797 -12.9797 -12.9694 -12.9693 -11.1181 -11.1180 -7.6181 -7.6181 -5.7880 -5.7871 -5.7706 -5.7702 -2.9092 -2.9071 -2.8130 -2.8102 -2.1507 -2.1503 -2.0367 -2.0363 -1.0435 -1.0398 -1.0025 -1.0003 3.2434 3.2438 3.3392 3.3398 3.7586 3.7592 4.6997 4.7009 5.2098 5.2105 5.2491 5.2492 7.5939 7.5953 7.6038 7.6048 8.0254 8.0255 11.6234 11.6238 11.6301 11.6303 12.6031 12.6049 14.1738 14.1751 14.1918 14.1952 k = 0.3393 0.5670-0.0000 ( 3416 PWs) bands (ev): -20.8154 -20.8154 -20.4743 -20.4741 -20.4700 -20.4700 -12.9790 -12.9790 -12.9708 -12.9707 -11.1183 -11.1183 -7.6176 -7.6176 -5.7839 -5.7829 -5.7739 -5.7736 -2.8864 -2.8845 -2.8385 -2.8352 -2.1514 -2.1512 -2.0380 -2.0377 -1.0344 -1.0302 -1.0113 -1.0098 3.2727 3.2730 3.3198 3.3202 3.7524 3.7528 4.7098 4.7104 5.2129 5.2132 5.2372 5.2375 7.5984 7.5998 7.6049 7.6059 8.0236 8.0237 11.6242 11.6245 11.6288 11.6292 12.6027 12.6036 14.1807 14.1817 14.1919 14.1946 k = 0.3333 0.5774-0.0000 ( 3420 PWs) bands (ev): -20.8154 -20.8154 -20.4736 -20.4733 -20.4708 -20.4708 -12.9788 -12.9788 -12.9713 -12.9713 -11.1184 -11.1184 -7.6174 -7.6174 -5.7818 -5.7804 -5.7758 -5.7758 -2.8667 -2.8667 -2.8592 -2.8537 -2.1516 -2.1516 -2.0383 -2.0383 -1.0295 -1.0239 -1.0161 -1.0161 3.2909 3.2912 3.3052 3.3052 3.7504 3.7504 4.7133 4.7133 5.2181 5.2181 5.2292 5.2297 7.6016 7.6037 7.6037 7.6040 8.0230 8.0230 11.6244 11.6244 11.6285 11.6288 12.6029 12.6029 14.1845 14.1845 14.1904 14.1930 k = 0.3333 0.5774-0.0000 ( 3420 PWs) bands (ev): -20.8154 -20.8154 -20.4736 -20.4733 -20.4708 -20.4708 -12.9788 -12.9788 -12.9713 -12.9713 -11.1184 -11.1184 -7.6174 -7.6174 -5.7818 -5.7804 -5.7758 -5.7758 -2.8667 -2.8667 -2.8592 -2.8537 -2.1516 -2.1516 -2.0383 -2.0383 -1.0295 -1.0239 -1.0161 -1.0161 3.2909 3.2912 3.3052 3.3052 3.7504 3.7504 4.7133 4.7133 5.2181 5.2181 5.2292 5.2297 7.6016 7.6037 7.6037 7.6040 8.0230 8.0230 11.6244 11.6244 11.6285 11.6288 12.6029 12.6029 14.1845 14.1845 14.1904 14.1930 k = 0.3273 0.5669-0.0000 ( 3416 PWs) bands (ev): -20.8155 -20.8154 -20.4743 -20.4741 -20.4701 -20.4700 -12.9790 -12.9790 -12.9708 -12.9707 -11.1183 -11.1183 -7.6176 -7.6176 -5.7839 -5.7829 -5.7740 -5.7737 -2.8864 -2.8840 -2.8388 -2.8353 -2.1514 -2.1512 -2.0379 -2.0376 -1.0341 -1.0299 -1.0116 -1.0103 3.2750 3.2750 3.3175 3.3177 3.7525 3.7530 4.7099 4.7104 5.2102 5.2107 5.2395 5.2401 7.5967 7.5981 7.6064 7.6074 8.0238 8.0239 11.6244 11.6247 11.6287 11.6290 12.6026 12.6036 14.1811 14.1818 14.1926 14.1948 k = 0.3212 0.5564-0.0000 ( 3410 PWs) bands (ev): -20.8158 -20.8157 -20.4757 -20.4754 -20.4688 -20.4687 -12.9795 -12.9795 -12.9694 -12.9694 -11.1180 -11.1180 -7.6181 -7.6181 -5.7878 -5.7869 -5.7710 -5.7705 -2.9078 -2.9050 -2.8149 -2.8115 -2.1506 -2.1502 -2.0365 -2.0359 -1.0416 -1.0381 -1.0041 -1.0023 3.2529 3.2531 3.3284 3.3289 3.7593 3.7603 4.7007 4.7017 5.1989 5.1997 5.2583 5.2590 7.5870 7.5882 7.6093 7.6104 8.0264 8.0266 11.6248 11.6254 11.6291 11.6295 12.6029 12.6048 14.1759 14.1774 14.1953 14.1974 k = 0.3152 0.5459-0.0000 ( 3406 PWs) bands (ev): -20.8163 -20.8162 -20.4771 -20.4769 -20.4675 -20.4674 -12.9799 -12.9799 -12.9675 -12.9675 -11.1175 -11.1174 -7.6191 -7.6191 -5.7921 -5.7912 -5.7682 -5.7676 -2.9277 -2.9246 -2.7908 -2.7872 -2.1491 -2.1485 -2.0338 -2.0329 -1.0492 -1.0460 -0.9966 -0.9946 3.2298 3.2302 3.3333 3.3341 3.7704 3.7719 4.6868 4.6881 5.1876 5.1887 5.2809 5.2818 7.5729 7.5741 7.6118 7.6129 8.0309 8.0313 11.6256 11.6265 11.6301 11.6306 12.6037 12.6066 14.1718 14.1741 14.1976 14.1996 k = 0.3091 0.5354-0.0000 ( 3422 PWs) bands (ev): -20.8170 -20.8170 -20.4786 -20.4784 -20.4662 -20.4661 -12.9801 -12.9801 -12.9652 -12.9651 -11.1167 -11.1167 -7.6205 -7.6205 -5.7966 -5.7957 -5.7658 -5.7652 -2.9458 -2.9425 -2.7666 -2.7629 -2.1469 -2.1462 -2.0299 -2.0287 -1.0565 -1.0534 -0.9896 -0.9876 3.2061 3.2067 3.3326 3.3336 3.7847 3.7868 4.6690 4.6706 5.1767 5.1781 5.3058 5.3068 7.5544 7.5556 7.6137 7.6148 8.0375 8.0380 11.6261 11.6272 11.6323 11.6329 12.6050 12.6089 14.1695 14.1726 14.1998 14.2017 k = 0.3030 0.5249-0.0000 ( 3418 PWs) bands (ev): -20.8180 -20.8179 -20.4801 -20.4798 -20.4650 -20.4649 -12.9799 -12.9799 -12.9626 -12.9624 -11.1158 -11.1157 -7.6223 -7.6223 -5.8013 -5.8004 -5.7640 -5.7633 -2.9622 -2.9588 -2.7424 -2.7385 -2.1441 -2.1431 -2.0247 -2.0231 -1.0632 -1.0603 -0.9831 -0.9811 3.1819 3.1826 3.3273 3.3285 3.8012 3.8038 4.6484 4.6502 5.1662 5.1680 5.3319 5.3329 7.5318 7.5329 7.6152 7.6162 8.0461 8.0467 11.6261 11.6273 11.6361 11.6370 12.6071 12.6119 14.1696 14.1735 14.2022 14.2042 k = 0.2970 0.5144-0.0000 ( 3418 PWs) bands (ev): -20.8192 -20.8191 -20.4815 -20.4812 -20.4640 -20.4638 -12.9794 -12.9793 -12.9596 -12.9594 -11.1146 -11.1145 -7.6245 -7.6245 -5.8062 -5.8053 -5.7626 -5.7620 -2.9768 -2.9732 -2.7182 -2.7141 -2.1404 -2.1393 -2.0180 -2.0160 -1.0694 -1.0667 -0.9772 -0.9753 3.1572 3.1581 3.3182 3.3196 3.8187 3.8219 4.6256 4.6276 5.1564 5.1584 5.3582 5.3592 7.5052 7.5063 7.6161 7.6171 8.0564 8.0572 11.6258 11.6271 11.6414 11.6426 12.6101 12.6159 14.1721 14.1766 14.2055 14.2075 k = 0.2909 0.5039-0.0000 ( 3414 PWs) bands (ev): -20.8207 -20.8206 -20.4829 -20.4826 -20.4630 -20.4628 -12.9784 -12.9783 -12.9563 -12.9561 -11.1131 -11.1130 -7.6272 -7.6272 -5.8112 -5.8103 -5.7619 -5.7612 -2.9895 -2.9857 -2.6942 -2.6898 -2.1360 -2.1347 -2.0099 -2.0075 -1.0751 -1.0726 -0.9719 -0.9700 3.1322 3.1332 3.3062 3.3078 3.8362 3.8399 4.6012 4.6034 5.1471 5.1496 5.3840 5.3850 7.4750 7.4760 7.6165 7.6176 8.0682 8.0690 11.6253 11.6268 11.6482 11.6497 12.6142 12.6209 14.1768 14.1820 14.2101 14.2121 k = 0.2848 0.4934-0.0000 ( 3414 PWs) bands (ev): -20.8224 -20.8223 -20.4842 -20.4839 -20.4621 -20.4619 -12.9769 -12.9769 -12.9526 -12.9525 -11.1115 -11.1114 -7.6305 -7.6305 -5.8163 -5.8155 -5.7617 -5.7611 -3.0003 -2.9964 -2.6703 -2.6657 -2.1308 -2.1293 -2.0003 -1.9975 -1.0802 -1.0779 -0.9673 -0.9654 3.1068 3.1079 3.2920 3.2938 3.8528 3.8570 4.5758 4.5780 5.1386 5.1414 5.4087 5.4096 7.4415 7.4425 7.6165 7.6175 8.0811 8.0820 11.6247 11.6263 11.6564 11.6581 12.6197 12.6271 14.1834 14.1890 14.2164 14.2185 k = 0.2788 0.4829-0.0000 ( 3414 PWs) bands (ev): -20.8244 -20.8242 -20.4855 -20.4852 -20.4614 -20.4612 -12.9749 -12.9749 -12.9487 -12.9485 -11.1097 -11.1095 -7.6342 -7.6342 -5.8216 -5.8207 -5.7622 -5.7616 -3.0092 -3.0051 -2.6465 -2.6417 -2.1248 -2.1231 -1.9892 -1.9859 -1.0848 -1.0826 -0.9632 -0.9615 3.0810 3.0823 3.2762 3.2781 3.8680 3.8726 4.5495 4.5519 5.1307 5.1339 5.4317 5.4326 7.4051 7.4061 7.6161 7.6171 8.0947 8.0958 11.6241 11.6259 11.6661 11.6680 12.6267 12.6348 14.1914 14.1975 14.2249 14.2269 k = 0.2727 0.4724-0.0000 ( 3416 PWs) bands (ev): -20.8267 -20.8265 -20.4867 -20.4864 -20.4608 -20.4606 -12.9725 -12.9725 -12.9444 -12.9442 -11.1076 -11.1074 -7.6384 -7.6384 -5.8271 -5.8262 -5.7633 -5.7627 -3.0161 -3.0119 -2.6230 -2.6179 -2.1179 -2.1161 -1.9765 -1.9728 -1.0889 -1.0868 -0.9598 -0.9581 3.0550 3.0564 3.2591 3.2611 3.8811 3.8861 4.5228 4.5253 5.1236 5.1271 5.4526 5.4535 7.3663 7.3673 7.6154 7.6164 8.1089 8.1100 11.6237 11.6255 11.6771 11.6793 12.6353 12.6440 14.2003 14.2066 14.2357 14.2378 k = 0.2667 0.4619-0.0000 ( 3416 PWs) bands (ev): -20.8292 -20.8290 -20.4879 -20.4875 -20.4603 -20.4601 -12.9696 -12.9695 -12.9399 -12.9396 -11.1054 -11.1051 -7.6431 -7.6431 -5.8326 -5.8318 -5.7651 -5.7644 -3.0211 -3.0168 -2.5996 -2.5943 -2.1103 -2.1083 -1.9623 -1.9581 -1.0923 -1.0905 -0.9570 -0.9554 3.0286 3.0301 3.2410 3.2430 3.8918 3.8973 4.4959 4.4984 5.1172 5.1211 5.4712 5.4720 7.3255 7.3264 7.6144 7.6154 8.1232 8.1244 11.6234 11.6254 11.6896 11.6921 12.6456 12.6550 14.2095 14.2160 14.2491 14.2511 k = 0.2606 0.4514-0.0000 ( 3414 PWs) bands (ev): -20.8319 -20.8317 -20.4890 -20.4886 -20.4599 -20.4597 -12.9661 -12.9661 -12.9349 -12.9347 -11.1029 -11.1027 -7.6483 -7.6483 -5.8383 -5.8375 -5.7675 -5.7668 -3.0240 -3.0196 -2.5764 -2.5709 -2.1018 -2.0996 -1.9465 -1.9420 -1.0952 -1.0936 -0.9548 -0.9533 3.0020 3.0036 3.2221 3.2242 3.9000 3.9059 4.4689 4.4714 5.1114 5.1157 5.4871 5.4879 7.2830 7.2840 7.6132 7.6141 8.1373 8.1385 11.6236 11.6256 11.7036 11.7063 12.6578 12.6676 14.2185 14.2251 14.2651 14.2671 k = 0.2545 0.4409-0.0000 ( 3410 PWs) bands (ev): -20.8349 -20.8347 -20.4901 -20.4897 -20.4597 -20.4595 -12.9621 -12.9621 -12.9297 -12.9294 -11.1003 -11.1000 -7.6540 -7.6540 -5.8442 -5.8433 -5.7705 -5.7699 -3.0250 -3.0204 -2.5535 -2.5478 -2.0926 -2.0902 -1.9294 -1.9244 -1.0975 -1.0961 -0.9533 -0.9518 2.9752 2.9769 3.2025 3.2047 3.9055 3.9117 4.4419 4.4445 5.1064 5.1109 5.5003 5.5010 7.2393 7.2403 7.6118 7.6127 8.1509 8.1522 11.6243 11.6264 11.7191 11.7220 12.6717 12.6819 14.2270 14.2335 14.2834 14.2855 k = 0.2485 0.4304-0.0000 ( 3410 PWs) bands (ev): -20.8382 -20.8379 -20.4910 -20.4906 -20.4596 -20.4594 -12.9577 -12.9576 -12.9242 -12.9238 -11.0975 -11.0972 -7.6602 -7.6602 -5.8502 -5.8493 -5.7742 -5.7736 -3.0239 -3.0192 -2.5307 -2.5248 -2.0825 -2.0799 -1.9108 -1.9054 -1.0992 -1.0981 -0.9523 -0.9509 2.9481 2.9498 3.1823 3.1845 3.9081 3.9147 4.4151 4.4178 5.1018 5.1067 5.5104 5.5110 7.1947 7.1957 7.6104 7.6113 8.1638 8.1651 11.6258 11.6279 11.7362 11.7392 12.6873 12.6977 14.2346 14.2411 14.3037 14.3058 k = 0.2424 0.4199-0.0000 ( 3406 PWs) bands (ev): -20.8417 -20.8414 -20.4920 -20.4915 -20.4597 -20.4595 -12.9527 -12.9527 -12.9183 -12.9179 -11.0946 -11.0942 -7.6668 -7.6668 -5.8563 -5.8554 -5.7786 -5.7780 -3.0208 -3.0161 -2.5081 -2.5020 -2.0717 -2.0689 -1.8910 -1.8851 -1.1004 -1.0995 -0.9518 -0.9506 2.9208 2.9226 3.1615 3.1638 3.9081 3.9149 4.3886 4.3913 5.0977 5.1029 5.5174 5.5180 7.1496 7.1506 7.6090 7.6098 8.1758 8.1770 11.6282 11.6304 11.7548 11.7580 12.7044 12.7150 14.2414 14.2478 14.3248 14.3269 k = 0.2364 0.4094-0.0000 ( 3402 PWs) bands (ev): -20.8454 -20.8452 -20.4928 -20.4924 -20.4599 -20.4597 -12.9472 -12.9472 -12.9121 -12.9117 -11.0914 -11.0911 -7.6739 -7.6739 -5.8626 -5.8617 -5.7836 -5.7830 -3.0157 -3.0109 -2.4856 -2.4793 -2.0602 -2.0572 -1.8699 -1.8636 -1.1009 -1.1003 -0.9520 -0.9508 2.8932 2.8952 3.1402 3.1424 3.9053 3.9124 4.3624 4.3651 5.0939 5.0994 5.5213 5.5219 7.1044 7.1054 7.6076 7.6085 8.1865 8.1877 11.6317 11.6339 11.7750 11.7784 12.7229 12.7336 14.2476 14.2538 14.3439 14.3458 k = 0.2303 0.3989-0.0000 ( 3398 PWs) bands (ev): -20.8494 -20.8491 -20.4936 -20.4932 -20.4602 -20.4600 -12.9412 -12.9412 -12.9056 -12.9052 -11.0882 -11.0878 -7.6814 -7.6814 -5.8690 -5.8681 -5.7891 -5.7885 -3.0087 -3.0037 -2.4632 -2.4568 -2.0479 -2.0447 -1.8477 -1.8409 -1.1009 -1.1005 -0.9526 -0.9516 2.8655 2.8676 3.1182 3.1204 3.9001 3.9073 4.3366 4.3393 5.0904 5.0961 5.5220 5.5225 7.0594 7.0604 7.6064 7.6072 8.1958 8.1969 11.6366 11.6387 11.7969 11.8005 12.7425 12.7531 14.2535 14.2594 14.3549 14.3563 k = 0.2242 0.3884-0.0000 ( 3408 PWs) bands (ev): -20.8536 -20.8533 -20.4944 -20.4939 -20.4607 -20.4605 -12.9348 -12.9348 -12.8988 -12.8984 -11.0848 -11.0844 -7.6893 -7.6893 -5.8755 -5.8746 -5.7953 -5.7947 -2.9996 -2.9945 -2.4409 -2.4344 -2.0350 -2.0316 -1.8245 -1.8173 -1.1003 -1.1001 -0.9538 -0.9529 2.8376 2.8397 3.0955 3.0977 3.8924 3.8998 4.3112 4.3139 5.0870 5.0929 5.5195 5.5200 7.0148 7.0158 7.6055 7.6063 8.2035 8.2046 11.6429 11.6450 11.8204 11.8241 12.7629 12.7735 14.2594 14.2651 14.3495 14.3499 k = 0.2182 0.3779-0.0000 ( 3412 PWs) bands (ev): -20.8579 -20.8576 -20.4951 -20.4946 -20.4613 -20.4611 -12.9279 -12.9279 -12.8917 -12.8913 -11.0813 -11.0809 -7.6976 -7.6976 -5.8822 -5.8813 -5.8021 -5.8015 -2.9886 -2.9834 -2.4187 -2.4121 -2.0214 -2.0179 -1.8004 -1.7928 -1.0992 -1.0990 -0.9554 -0.9546 2.8096 2.8117 3.0721 3.0743 3.8826 3.8901 4.2862 4.2890 5.0836 5.0897 5.5140 5.5144 6.9710 6.9721 7.6048 7.6056 8.2094 8.2104 11.6508 11.6529 11.8456 11.8494 12.7839 12.7943 14.2656 14.2711 14.3268 14.3272 k = 0.2121 0.3674-0.0000 ( 3412 PWs) bands (ev): -20.8625 -20.8621 -20.4957 -20.4952 -20.4621 -20.4619 -12.9206 -12.9205 -12.8843 -12.8839 -11.0777 -11.0773 -7.7063 -7.7063 -5.8890 -5.8881 -5.8094 -5.8088 -2.9757 -2.9704 -2.3965 -2.3899 -2.0073 -2.0036 -1.7755 -1.7675 -1.0976 -1.0971 -0.9575 -0.9568 2.7814 2.7836 3.0479 3.0500 3.8709 3.8784 4.2617 4.2645 5.0800 5.0862 5.5054 5.5058 6.9283 6.9294 7.6045 7.6053 8.2135 8.2145 11.6606 11.6626 11.8724 11.8764 12.8053 12.8154 14.2725 14.2776 14.2947 14.2956 k = 0.2061 0.3569-0.0000 ( 3406 PWs) bands (ev): -20.8672 -20.8668 -20.4963 -20.4958 -20.4629 -20.4627 -12.9128 -12.9128 -12.8767 -12.8763 -11.0740 -11.0736 -7.7152 -7.7152 -5.8959 -5.8950 -5.8172 -5.8166 -2.9609 -2.9555 -2.3744 -2.3677 -1.9928 -1.9888 -1.7499 -1.7415 -1.0954 -1.0946 -0.9600 -0.9595 2.7531 2.7553 3.0227 3.0248 3.8574 3.8650 4.2376 4.2405 5.0761 5.0825 5.4939 5.4943 6.8869 6.8880 7.6046 7.6054 8.2157 8.2165 11.6722 11.6742 11.9008 11.9049 12.8267 12.8365 14.2590 14.2599 14.2806 14.2855 k = 0.2000 0.3464-0.0000 ( 3408 PWs) bands (ev): -20.8720 -20.8717 -20.4969 -20.4964 -20.4639 -20.4637 -12.9046 -12.9046 -12.8688 -12.8684 -11.0702 -11.0697 -7.7245 -7.7244 -5.9029 -5.9021 -5.8254 -5.8249 -2.9442 -2.9387 -2.3523 -2.3456 -1.9778 -1.9735 -1.7238 -1.7149 -1.0926 -1.0914 -0.9628 -0.9624 2.7246 2.7269 2.9966 2.9986 3.8425 3.8501 4.2140 4.2169 5.0719 5.0784 5.4797 5.4801 6.8470 6.8481 7.6052 7.6060 8.2159 8.2166 11.6858 11.6877 11.9307 11.9349 12.8480 12.8574 14.2224 14.2235 14.2894 14.2940 k = 0.1939 0.3359-0.0000 ( 3406 PWs) bands (ev): -20.8770 -20.8766 -20.4974 -20.4969 -20.4650 -20.4648 -12.8961 -12.8961 -12.8607 -12.8603 -11.0663 -11.0659 -7.7339 -7.7339 -5.9100 -5.9092 -5.8341 -5.8336 -2.9258 -2.9202 -2.3303 -2.3236 -1.9624 -1.9579 -1.6972 -1.6879 -1.0891 -1.0876 -0.9660 -0.9658 2.6960 2.6984 2.9693 2.9713 3.8264 3.8339 4.1909 4.1938 5.0673 5.0738 5.4630 5.4634 6.8089 6.8101 7.6064 7.6071 8.2140 8.2146 11.7013 11.7032 11.9620 11.9662 12.8690 12.8779 14.1862 14.1872 14.2994 14.3037 k = 0.1879 0.3254-0.0000 ( 3414 PWs) bands (ev): -20.8821 -20.8817 -20.4979 -20.4974 -20.4662 -20.4660 -12.8873 -12.8872 -12.8524 -12.8520 -11.0624 -11.0619 -7.7436 -7.7436 -5.9172 -5.9164 -5.8432 -5.8428 -2.9055 -2.8998 -2.3084 -2.3017 -1.9468 -1.9421 -1.6702 -1.6606 -1.0851 -1.0832 -0.9694 -0.9694 2.6674 2.6698 2.9409 2.9428 3.8093 3.8167 4.1681 4.1711 5.0621 5.0686 5.4439 5.4442 6.7727 6.7739 7.6080 7.6088 8.2102 8.2106 11.7189 11.7207 11.9945 11.9988 12.8895 12.8978 14.1509 14.1519 14.3106 14.3145 k = 0.1818 0.3149-0.0000 ( 3422 PWs) bands (ev): -20.8873 -20.8869 -20.4984 -20.4979 -20.4675 -20.4673 -12.8781 -12.8781 -12.8440 -12.8435 -11.0584 -11.0579 -7.7535 -7.7535 -5.9245 -5.9238 -5.8527 -5.8522 -2.8836 -2.8778 -2.2866 -2.2799 -1.9310 -1.9261 -1.6430 -1.6330 -1.0804 -1.0781 -0.9732 -0.9731 2.6387 2.6412 2.9113 2.9131 3.7915 3.7987 4.1457 4.1487 5.0564 5.0629 5.4226 5.4230 6.7386 6.7398 7.6103 7.6110 8.2043 8.2046 11.7385 11.7402 12.0281 12.0324 12.9094 12.9172 14.1172 14.1181 14.3228 14.3264 k = 0.1758 0.3044-0.0000 ( 3404 PWs) bands (ev): -20.8925 -20.8921 -20.4988 -20.4983 -20.4688 -20.4686 -12.8686 -12.8686 -12.8353 -12.8348 -11.0544 -11.0539 -7.7635 -7.7634 -5.9318 -5.9311 -5.8625 -5.8620 -2.8600 -2.8541 -2.2649 -2.2583 -1.9151 -1.9099 -1.6156 -1.6051 -1.0750 -1.0724 -0.9772 -0.9769 2.6100 2.6125 2.8804 2.8821 3.7732 3.7802 4.1237 4.1268 5.0501 5.0566 5.3996 5.3999 6.7067 6.7079 7.6131 7.6138 8.1965 8.1966 11.7601 11.7617 12.0624 12.0668 12.9287 12.9358 14.0855 14.0863 14.3361 14.3393 k = 0.1697 0.2939-0.0000 ( 3404 PWs) bands (ev): -20.8978 -20.8974 -20.4993 -20.4988 -20.4703 -20.4701 -12.8590 -12.8589 -12.8266 -12.8261 -11.0504 -11.0499 -7.7735 -7.7735 -5.9393 -5.9385 -5.8725 -5.8721 -2.8349 -2.8289 -2.2435 -2.2369 -1.8993 -1.8938 -1.5881 -1.5772 -1.0691 -1.0661 -0.9814 -0.9808 2.5813 2.5838 2.8482 2.8497 3.7546 3.7614 4.1021 4.1051 5.0433 5.0497 5.3749 5.3753 6.6770 6.6782 7.6166 7.6173 8.1868 8.1868 11.7836 11.7850 12.0972 12.1016 12.9473 12.9538 14.0562 14.0568 14.3500 14.3529 k = 0.1636 0.2834-0.0000 ( 3396 PWs) bands (ev): -20.9031 -20.9027 -20.4997 -20.4992 -20.4718 -20.4716 -12.8491 -12.8490 -12.8177 -12.8172 -11.0463 -11.0458 -7.7837 -7.7836 -5.9467 -5.9460 -5.8827 -5.8823 -2.8083 -2.8021 -2.2223 -2.2158 -1.8836 -1.8779 -1.5605 -1.5493 -1.0625 -1.0592 -0.9856 -0.9848 2.5526 2.5551 2.8147 2.8161 3.7358 3.7423 4.0807 4.0838 5.0359 5.0422 5.3489 5.3493 6.6497 6.6509 7.6206 7.6213 8.1753 8.1754 11.8088 11.8102 12.1322 12.1366 12.9652 12.9711 14.0296 14.0301 14.3645 14.3672 k = 0.1576 0.2729-0.0000 ( 3410 PWs) bands (ev): -20.9084 -20.9081 -20.5001 -20.4996 -20.4734 -20.4732 -12.8390 -12.8390 -12.8088 -12.8083 -11.0423 -11.0418 -7.7938 -7.7938 -5.9542 -5.9535 -5.8932 -5.8928 -2.7802 -2.7740 -2.2014 -2.1950 -1.8682 -1.8622 -1.5330 -1.5214 -1.0554 -1.0517 -0.9899 -0.9888 2.5239 2.5265 2.7800 2.7812 3.7169 3.7232 4.0595 4.0626 5.0279 5.0342 5.3218 5.3222 6.6246 6.6259 7.6252 7.6259 8.1620 8.1623 11.8357 11.8370 12.1669 12.1714 12.9826 12.9877 14.0061 14.0065 14.3793 14.3817 k = 0.1515 0.2624-0.0000 ( 3402 PWs) bands (ev): -20.9137 -20.9134 -20.5004 -20.5000 -20.4750 -20.4749 -12.8289 -12.8288 -12.7998 -12.7993 -11.0382 -11.0377 -7.8039 -7.8039 -5.9616 -5.9610 -5.9037 -5.9033 -2.7508 -2.7445 -2.1808 -2.1745 -1.8531 -1.8468 -1.5056 -1.4937 -1.0477 -1.0437 -0.9941 -0.9927 2.4954 2.4979 2.7441 2.7452 3.6983 3.7043 4.0386 4.0417 5.0195 5.0257 5.2940 5.2945 6.6019 6.6032 7.6304 7.6310 8.1474 8.1477 11.8641 11.8653 12.2011 12.2056 12.9995 13.0040 13.9862 13.9864 14.3942 14.3964 k = 0.1455 0.2519-0.0000 ( 3398 PWs) bands (ev): -20.9190 -20.9187 -20.5008 -20.5003 -20.4767 -20.4765 -12.8186 -12.8186 -12.7909 -12.7904 -11.0342 -11.0337 -7.8140 -7.8139 -5.9691 -5.9685 -5.9144 -5.9140 -2.7202 -2.7137 -2.1607 -2.1546 -1.8385 -1.8320 -1.4783 -1.4661 -1.0395 -1.0354 -0.9983 -0.9964 2.4669 2.4695 2.7070 2.7080 3.6798 3.6856 4.0179 4.0210 5.0108 5.0168 5.2658 5.2662 6.5815 6.5828 7.6361 7.6367 8.1313 8.1318 11.8939 11.8949 12.2341 12.2386 13.0161 13.0199 13.9702 13.9702 14.4089 14.4109 k = 0.1394 0.2414-0.0000 ( 3398 PWs) bands (ev): -20.9243 -20.9239 -20.5012 -20.5007 -20.4785 -20.4783 -12.8083 -12.8083 -12.7819 -12.7814 -11.0302 -11.0297 -7.8239 -7.8239 -5.9765 -5.9759 -5.9250 -5.9247 -2.6884 -2.6818 -2.1411 -2.1351 -1.8246 -1.8177 -1.4512 -1.4387 -1.0309 -1.0269 -1.0023 -0.9997 2.4387 2.4413 2.6690 2.6698 3.6617 3.6671 3.9973 4.0005 5.0017 5.0075 5.2373 5.2377 6.5634 6.5647 7.6422 7.6429 8.1141 8.1148 11.9247 11.9257 12.2657 12.2702 13.0325 13.0356 13.9583 13.9585 14.4232 14.4249 k = 0.1333 0.2309-0.0000 ( 3394 PWs) bands (ev): -20.9294 -20.9291 -20.5015 -20.5011 -20.4802 -20.4800 -12.7981 -12.7980 -12.7730 -12.7725 -11.0263 -11.0258 -7.8337 -7.8337 -5.9838 -5.9832 -5.9357 -5.9353 -2.6555 -2.6488 -2.1220 -2.1162 -1.8114 -1.8043 -1.4243 -1.4115 -1.0220 -1.0191 -1.0060 -1.0017 2.4107 2.4133 2.6302 2.6309 3.6440 3.6491 3.9769 3.9801 4.9924 4.9981 5.2088 5.2093 6.5473 6.5487 7.6488 7.6495 8.0959 8.0967 11.9566 11.9574 12.2954 12.2999 13.0489 13.0513 13.9510 13.9514 14.4368 14.4383 k = 0.1273 0.2204-0.0000 ( 3398 PWs) bands (ev): -20.9345 -20.9342 -20.5018 -20.5014 -20.4820 -20.4818 -12.7879 -12.7878 -12.7642 -12.7637 -11.0224 -11.0219 -7.8434 -7.8433 -5.9910 -5.9905 -5.9462 -5.9459 -2.6217 -2.6149 -2.1036 -2.0979 -1.7991 -1.7917 -1.3977 -1.3847 -1.0146 -1.0139 -1.0082 -0.9998 2.3830 2.3856 2.5907 2.5913 3.6266 3.6314 3.9566 3.9598 4.9831 4.9886 5.1807 5.1812 6.5333 6.5347 7.6558 7.6564 8.0768 8.0777 11.9890 11.9898 12.3227 12.3272 13.0654 13.0672 13.9486 13.9493 14.4495 14.4507 k = 0.1212 0.2099-0.0000 ( 3390 PWs) bands (ev): -20.9395 -20.9392 -20.5022 -20.5017 -20.4837 -20.4835 -12.7778 -12.7777 -12.7555 -12.7551 -11.0186 -11.0181 -7.8528 -7.8528 -5.9981 -5.9976 -5.9567 -5.9564 -2.5870 -2.5801 -2.0858 -2.0804 -1.7878 -1.7801 -1.3714 -1.3582 -1.0149 -1.0142 -1.0016 -0.9926 2.3557 2.3582 2.5508 2.5512 3.6098 3.6143 3.9365 3.9396 4.9737 4.9790 5.1531 5.1536 6.5213 6.5227 7.6631 7.6638 8.0571 8.0581 12.0219 12.0225 12.3474 12.3518 13.0823 13.0835 13.9515 13.9523 14.4611 14.4621 k = 0.1152 0.1994-0.0000 ( 3388 PWs) bands (ev): -20.9444 -20.9440 -20.5025 -20.5021 -20.4855 -20.4853 -12.7678 -12.7677 -12.7470 -12.7465 -11.0149 -11.0144 -7.8620 -7.8619 -6.0050 -6.0046 -5.9670 -5.9667 -2.5516 -2.5445 -2.0688 -2.0636 -1.7777 -1.7697 -1.3455 -1.3322 -1.0171 -1.0169 -0.9919 -0.9832 2.3288 2.3313 2.5107 2.5110 3.5934 3.5976 3.9165 3.9196 4.9644 4.9695 5.1263 5.1268 6.5111 6.5124 7.6708 7.6713 8.0370 8.0380 12.0549 12.0554 12.3691 12.3735 13.0997 13.1004 13.9596 13.9606 14.4716 14.4721 k = 0.1091 0.1890-0.0000 ( 3386 PWs) bands (ev): -20.9491 -20.9488 -20.5028 -20.5024 -20.4872 -20.4870 -12.7581 -12.7580 -12.7386 -12.7382 -11.0113 -11.0108 -7.8709 -7.8708 -6.0118 -6.0114 -5.9771 -5.9768 -2.5156 -2.5083 -2.0525 -2.0475 -1.7688 -1.7605 -1.3200 -1.3066 -1.0198 -1.0192 -0.9818 -0.9732 2.3023 2.3048 2.4706 2.4708 3.5776 3.5814 3.8967 3.8998 4.9553 4.9602 5.1004 5.1009 6.5025 6.5039 7.6786 7.6791 8.0165 8.0177 12.0878 12.0882 12.3878 12.3921 13.1178 13.1179 13.9730 13.9742 14.4807 14.4807 k = 0.1030 0.1785-0.0000 ( 3386 PWs) bands (ev): -20.9536 -20.9534 -20.5031 -20.5027 -20.4889 -20.4887 -12.7485 -12.7484 -12.7305 -12.7301 -11.0078 -11.0073 -7.8795 -7.8795 -6.0184 -6.0180 -5.9869 -5.9866 -2.4790 -2.4716 -2.0371 -2.0324 -1.7613 -1.7527 -1.2949 -1.2815 -1.0223 -1.0213 -0.9717 -0.9630 2.2764 2.2789 2.4307 2.4309 3.5622 3.5658 3.8771 3.8801 4.9465 4.9511 5.0756 5.0760 6.4955 6.4968 7.6865 7.6871 7.9960 7.9971 12.1201 12.1205 12.4032 12.4075 13.1364 13.1367 13.9916 13.9929 14.4877 14.4885 k = 0.0970 0.1680-0.0000 ( 3386 PWs) bands (ev): -20.9580 -20.9578 -20.5034 -20.5031 -20.4906 -20.4904 -12.7393 -12.7392 -12.7226 -12.7222 -11.0044 -11.0040 -7.8878 -7.8877 -6.0248 -6.0244 -5.9964 -5.9961 -2.4421 -2.4346 -2.0225 -2.0180 -1.7553 -1.7464 -1.2704 -1.2570 -1.0244 -1.0232 -0.9616 -0.9527 2.2512 2.2536 2.3914 2.3915 3.5475 3.5507 3.8578 3.8608 4.9380 4.9424 5.0520 5.0525 6.4898 6.4912 7.6946 7.6951 7.9755 7.9767 12.1518 12.1521 12.4156 12.4197 13.1559 13.1566 14.0152 14.0166 14.4931 14.4948 k = 0.0909 0.1575-0.0000 ( 3386 PWs) bands (ev): -20.9622 -20.9620 -20.5037 -20.5034 -20.4922 -20.4920 -12.7304 -12.7303 -12.7150 -12.7147 -11.0012 -11.0007 -7.8957 -7.8956 -6.0309 -6.0306 -6.0056 -6.0053 -2.4049 -2.3972 -2.0088 -2.0046 -1.7508 -1.7417 -1.2465 -1.2331 -1.0262 -1.0249 -0.9515 -0.9426 2.2267 2.2290 2.3529 2.3529 3.5333 3.5363 3.8389 3.8418 4.9299 4.9340 5.0297 5.0302 6.4854 6.4867 7.7026 7.7031 7.9552 7.9565 12.1824 12.1826 12.4250 12.4289 13.1765 13.1776 14.0434 14.0449 14.4971 14.4999 k = 0.0848 0.1470-0.0000 ( 3386 PWs) bands (ev): -20.9662 -20.9660 -20.5040 -20.5037 -20.4938 -20.4936 -12.7219 -12.7217 -12.7077 -12.7074 -10.9981 -10.9976 -7.9032 -7.9031 -6.0368 -6.0365 -6.0144 -6.0141 -2.3676 -2.3598 -1.9960 -1.9921 -1.7480 -1.7387 -1.2232 -1.2100 -1.0277 -1.0263 -0.9417 -0.9327 2.2031 2.2053 2.3154 2.3154 3.5197 3.5224 3.8205 3.8233 4.9222 4.9261 5.0089 5.0094 6.4821 6.4834 7.7106 7.7110 7.9353 7.9366 12.2118 12.2119 12.4316 12.4354 13.1982 13.1996 14.0757 14.0773 14.4997 14.5036 k = 0.0788 0.1365-0.0000 ( 3376 PWs) bands (ev): -20.9700 -20.9698 -20.5042 -20.5040 -20.4952 -20.4951 -12.7138 -12.7136 -12.7007 -12.7004 -10.9951 -10.9947 -7.9103 -7.9102 -6.0424 -6.0421 -6.0227 -6.0225 -2.3303 -2.3223 -1.9841 -1.9805 -1.7469 -1.7374 -1.2007 -1.1878 -1.0289 -1.0274 -0.9322 -0.9231 2.1804 2.1825 2.2792 2.2793 3.5068 3.5092 3.8026 3.8053 4.9151 4.9187 4.9896 4.9900 6.4797 6.4810 7.7184 7.7188 7.9161 7.9174 12.2396 12.2397 12.4357 12.4393 13.2211 13.2228 14.1117 14.1133 14.5012 14.5064 k = 0.0727 0.1260-0.0000 ( 3374 PWs) bands (ev): -20.9736 -20.9734 -20.5045 -20.5042 -20.4966 -20.4965 -12.7061 -12.7060 -12.6941 -12.6939 -10.9923 -10.9919 -7.9169 -7.9169 -6.0477 -6.0474 -6.0306 -6.0304 -2.2931 -2.2849 -1.9731 -1.9699 -1.7477 -1.7380 -1.1791 -1.1665 -1.0297 -1.0282 -0.9231 -0.9140 2.1588 2.1607 2.2446 2.2447 3.4945 3.4967 3.7854 3.7880 4.9084 4.9119 4.9718 4.9722 6.4781 6.4794 7.7260 7.7264 7.8975 7.8988 12.2657 12.2657 12.4378 12.4412 13.2450 13.2469 14.1505 14.1522 14.5020 14.5084 k = 0.0667 0.1155-0.0000 ( 3368 PWs) bands (ev): -20.9769 -20.9767 -20.5047 -20.5045 -20.4980 -20.4978 -12.6990 -12.6988 -12.6879 -12.6877 -10.9897 -10.9893 -7.9232 -7.9231 -6.0526 -6.0524 -6.0380 -6.0378 -2.2562 -2.2479 -1.9631 -1.9601 -1.7502 -1.7404 -1.1584 -1.1462 -1.0303 -1.0288 -0.9144 -0.9054 2.1383 2.1401 2.2118 2.2118 3.4830 3.4850 3.7690 3.7714 4.9023 4.9055 4.9556 4.9559 6.4773 6.4785 7.7333 7.7337 7.8799 7.8811 12.2898 12.2898 12.4381 12.4413 13.2698 13.2718 14.1915 14.1932 14.5025 14.5099 k = 0.0606 0.1050-0.0000 ( 3368 PWs) bands (ev): -20.9800 -20.9798 -20.5050 -20.5048 -20.4992 -20.4990 -12.6924 -12.6922 -12.6820 -12.6819 -10.9873 -10.9869 -7.9289 -7.9289 -6.0572 -6.0570 -6.0448 -6.0446 -2.2198 -2.2112 -1.9540 -1.9513 -1.7547 -1.7447 -1.1388 -1.1272 -1.0307 -1.0293 -0.9062 -0.8975 2.1190 2.1207 2.1810 2.1811 3.4722 3.4740 3.7535 3.7558 4.8968 4.8997 4.9409 4.9412 6.4770 6.4781 7.7402 7.7406 7.8632 7.8644 12.3119 12.3119 12.4370 12.4399 13.2952 13.2973 14.2339 14.2356 14.5030 14.5113 k = 0.0545 0.0945-0.0000 ( 3358 PWs) bands (ev): -20.9828 -20.9826 -20.5052 -20.5051 -20.5003 -20.5001 -12.6863 -12.6861 -12.6766 -12.6765 -10.9850 -10.9847 -7.9341 -7.9341 -6.0614 -6.0613 -6.0511 -6.0509 -2.1839 -2.1751 -1.9457 -1.9434 -1.7611 -1.7511 -1.1204 -1.1095 -1.0308 -1.0295 -0.8987 -0.8902 2.1011 2.1026 2.1526 2.1526 3.4622 3.4638 3.7390 3.7411 4.8918 4.8945 4.9278 4.9280 6.4771 6.4781 7.7468 7.7471 7.8478 7.8489 12.3318 12.3319 12.4350 12.4376 13.3209 13.3230 14.2770 14.2787 14.5037 14.5128 k = 0.0485 0.0840-0.0000 ( 3354 PWs) bands (ev): -20.9853 -20.9852 -20.5054 -20.5053 -20.5013 -20.5011 -12.6809 -12.6807 -12.6717 -12.6716 -10.9830 -10.9827 -7.9389 -7.9388 -6.0653 -6.0652 -6.0567 -6.0566 -2.1487 -2.1397 -1.9384 -1.9364 -1.7694 -1.7593 -1.1034 -1.0932 -1.0308 -1.0297 -0.8917 -0.8837 2.0846 2.0859 2.1266 2.1266 3.4532 3.4545 3.7257 3.7277 4.8873 4.8898 4.9163 4.9164 6.4775 6.4785 7.7528 7.7531 7.8336 7.8346 12.3496 12.3496 12.4322 12.4346 13.3464 13.3484 14.3198 14.3214 14.5050 14.5146 k = 0.0424 0.0735-0.0000 ( 3366 PWs) bands (ev): -20.9876 -20.9874 -20.5057 -20.5056 -20.5021 -20.5020 -12.6761 -12.6759 -12.6673 -12.6672 -10.9812 -10.9810 -7.9431 -7.9431 -6.0688 -6.0687 -6.0618 -6.0616 -2.1143 -2.1052 -1.9319 -1.9303 -1.7797 -1.7696 -1.0878 -1.0786 -1.0307 -1.0298 -0.8855 -0.8780 2.0697 2.0708 2.1033 2.1034 3.4450 3.4461 3.7137 3.7154 4.8833 4.8855 4.9062 4.9063 6.4782 6.4790 7.7583 7.7585 7.8207 7.8217 12.3651 12.3652 12.4290 12.4311 13.3711 13.3731 14.3613 14.3630 14.5070 14.5168 k = 0.0364 0.0630-0.0000 ( 3376 PWs) bands (ev): -20.9895 -20.9894 -20.5059 -20.5059 -20.5029 -20.5027 -12.6719 -12.6717 -12.6633 -12.6633 -10.9796 -10.9794 -7.9468 -7.9467 -6.0719 -6.0719 -6.0661 -6.0660 -2.0809 -2.0716 -1.9264 -1.9251 -1.7919 -1.7818 -1.0738 -1.0658 -1.0304 -1.0298 -0.8799 -0.8731 2.0563 2.0572 2.0829 2.0831 3.4378 3.4388 3.7030 3.7045 4.8798 4.8818 4.8977 4.8977 6.4789 6.4797 7.7631 7.7634 7.8094 7.8103 12.3784 12.3785 12.4257 12.4275 13.3946 13.3964 14.4007 14.4024 14.5099 14.5196 k = 0.0303 0.0525-0.0000 ( 3379 PWs) bands (ev): -20.9912 -20.9911 -20.5062 -20.5061 -20.5035 -20.5033 -12.6683 -12.6682 -12.6599 -12.6599 -10.9783 -10.9781 -7.9499 -7.9499 -6.0747 -6.0746 -6.0698 -6.0696 -2.0487 -2.0391 -1.9216 -1.9208 -1.8061 -1.7960 -1.0616 -1.0550 -1.0299 -1.0297 -0.8751 -0.8691 2.0446 2.0452 2.0657 2.0660 3.4316 3.4324 3.6939 3.6951 4.8767 4.8784 4.8906 4.8907 6.4798 6.4804 7.7673 7.7675 7.7997 7.8004 12.3896 12.3896 12.4226 12.4241 13.4160 13.4176 14.4367 14.4386 14.5139 14.5231 k = 0.0242 0.0420-0.0000 ( 3383 PWs) bands (ev): -20.9926 -20.9925 -20.5064 -20.5064 -20.5039 -20.5038 -12.6654 -12.6653 -12.6571 -12.6571 -10.9772 -10.9770 -7.9525 -7.9525 -6.0770 -6.0770 -6.0727 -6.0725 -2.0177 -2.0079 -1.9177 -1.9173 -1.8221 -1.8122 -1.0513 -1.0463 -1.0296 -1.0293 -0.8710 -0.8660 2.0345 2.0349 2.0518 2.0522 3.4265 3.4272 3.6863 3.6873 4.8741 4.8755 4.8852 4.8853 6.4805 6.4811 7.7708 7.7710 7.7917 7.7923 12.3986 12.3987 12.4198 12.4210 13.4348 13.4362 14.4682 14.4703 14.5185 14.5269 k = 0.0182 0.0315-0.0000 ( 3379 PWs) bands (ev): -20.9937 -20.9936 -20.5066 -20.5066 -20.5042 -20.5041 -12.6631 -12.6630 -12.6549 -12.6549 -10.9763 -10.9762 -7.9545 -7.9545 -6.0789 -6.0789 -6.0749 -6.0748 -1.9881 -1.9780 -1.9147 -1.9145 -1.8399 -1.8302 -1.0431 -1.0399 -1.0294 -1.0284 -0.8676 -0.8637 2.0262 2.0263 2.0413 2.0417 3.4226 3.4230 3.6803 3.6811 4.8718 4.8729 4.8812 4.8813 6.4812 6.4816 7.7735 7.7737 7.7854 7.7859 12.4056 12.4056 12.4175 12.4184 13.4503 13.4514 14.4935 14.4963 14.5246 14.5310 k = 0.0121 0.0210-0.0000 ( 3375 PWs) bands (ev): -20.9944 -20.9944 -20.5068 -20.5068 -20.5044 -20.5043 -12.6615 -12.6614 -12.6533 -12.6533 -10.9756 -10.9756 -7.9559 -7.9559 -6.0803 -6.0803 -6.0764 -6.0763 -1.9603 -1.9498 -1.9131 -1.9120 -1.8592 -1.8500 -1.0373 -1.0360 -1.0289 -1.0273 -0.8650 -0.8624 2.0199 2.0199 2.0341 2.0344 3.4197 3.4200 3.6761 3.6766 4.8700 4.8707 4.8787 4.8787 6.4818 6.4821 7.7754 7.7755 7.7810 7.7813 12.4106 12.4106 12.4158 12.4164 13.4619 13.4627 14.5111 14.5149 14.5320 14.5351 k = 0.0061 0.0105-0.0000 ( 3371 PWs) bands (ev): -20.9949 -20.9949 -20.5069 -20.5069 -20.5045 -20.5045 -12.6605 -12.6605 -12.6523 -12.6523 -10.9752 -10.9752 -7.9568 -7.9568 -6.0812 -6.0812 -6.0773 -6.0772 -1.9349 -1.9241 -1.9124 -1.9099 -1.8793 -1.8711 -1.0343 -1.0341 -1.0277 -1.0264 -0.8632 -0.8618 2.0159 2.0159 2.0300 2.0302 3.4180 3.4182 3.6735 3.6738 4.8690 4.8693 4.8772 4.8772 6.4822 6.4823 7.7762 7.7763 7.7787 7.7789 12.4135 12.4135 12.4148 12.4151 13.4692 13.4695 14.5210 14.5244 14.5389 14.5394 k = 0.0000 0.0000 0.0000 ( 3371 PWs) bands (ev): -20.9950 -20.9950 -20.5069 -20.5069 -20.5045 -20.5045 -12.6602 -12.6602 -12.6520 -12.6520 -10.9751 -10.9751 -7.9571 -7.9571 -6.0815 -6.0815 -6.0776 -6.0776 -1.9171 -1.9171 -1.9068 -1.9068 -1.8898 -1.8898 -1.0335 -1.0335 -1.0266 -1.0266 -0.8621 -0.8621 2.0145 2.0145 2.0287 2.0287 3.4175 3.4175 3.6728 3.6728 4.8687 4.8687 4.8768 4.8768 6.4823 6.4823 7.7762 7.7762 7.7784 7.7784 12.4145 12.4145 12.4146 12.4146 13.4717 13.4717 14.5254 14.5254 14.5416 14.5416 k = 0.0000 0.0000 0.0000 ( 3371 PWs) bands (ev): -20.9950 -20.9950 -20.5069 -20.5069 -20.5045 -20.5045 -12.6602 -12.6602 -12.6520 -12.6520 -10.9751 -10.9751 -7.9571 -7.9571 -6.0815 -6.0815 -6.0776 -6.0776 -1.9171 -1.9171 -1.9068 -1.9068 -1.8898 -1.8898 -1.0335 -1.0335 -1.0266 -1.0266 -0.8621 -0.8621 2.0145 2.0145 2.0287 2.0287 3.4175 3.4175 3.6728 3.6728 4.8687 4.8687 4.8768 4.8768 6.4823 6.4823 7.7762 7.7762 7.7784 7.7784 12.4145 12.4145 12.4146 12.4146 13.4717 13.4717 14.5254 14.5255 14.5416 14.5416 k = 0.0000 0.0000 0.0121 ( 3371 PWs) bands (ev): -20.9948 -20.9946 -20.5218 -20.5194 -20.4923 -20.4900 -12.6964 -12.6886 -12.6226 -12.6142 -10.9773 -10.9766 -7.9554 -7.9549 -6.1276 -6.1235 -6.0365 -6.0328 -1.9332 -1.9242 -1.9028 -1.8900 -1.8898 -1.8872 -1.0369 -1.0305 -1.0303 -1.0232 -0.8626 -0.8623 1.9841 1.9984 2.0486 2.0627 3.3987 3.4051 3.6852 3.6913 4.8259 4.8340 4.9077 4.9158 6.4836 6.4837 7.7521 7.7543 7.7989 7.8011 12.4059 12.4061 12.4254 12.4255 13.4702 13.4706 14.4977 14.5128 14.5527 14.5726 k = 0.0000 0.0000 0.0242 ( 3371 PWs) bands (ev): -20.9938 -20.9936 -20.5370 -20.5346 -20.4781 -20.4758 -12.7314 -12.7238 -12.5839 -12.5752 -10.9832 -10.9817 -7.9499 -7.9488 -6.1749 -6.1707 -5.9928 -5.9893 -1.9500 -1.9418 -1.8945 -1.8889 -1.8782 -1.8731 -1.0405 -1.0342 -1.0279 -1.0202 -0.8639 -0.8632 1.9574 1.9719 2.0863 2.1001 3.3578 3.3680 3.7220 3.7315 4.7794 4.7876 4.9428 4.9508 6.4876 6.4877 7.7268 7.7289 7.8204 7.8226 12.3999 12.4003 12.4385 12.4386 13.4661 13.4669 14.4715 14.4860 14.5645 14.5691 k = 0.0000 0.0000 0.0364 ( 3383 PWs) bands (ev): -20.9922 -20.9918 -20.5525 -20.5500 -20.4643 -20.4620 -12.7651 -12.7578 -12.5440 -12.5351 -10.9926 -10.9904 -7.9405 -7.9390 -6.2232 -6.2188 -5.9505 -5.9471 -1.9671 -1.9594 -1.8906 -1.8868 -1.8644 -1.8569 -1.0443 -1.0384 -1.0256 -1.0176 -0.8659 -0.8648 1.9345 1.9492 2.1274 2.1410 3.3059 3.3179 3.7714 3.7824 4.7295 4.7377 4.9738 4.9818 6.4942 6.4943 7.7002 7.7022 7.8405 7.8428 12.3967 12.3972 12.4534 12.4536 13.4594 13.4606 14.4472 14.4613 14.5616 14.5636 k = 0.0000 0.0000 0.0485 ( 3383 PWs) bands (ev): -20.9898 -20.9894 -20.5681 -20.5656 -20.4509 -20.4487 -12.7973 -12.7903 -12.5031 -12.4940 -11.0056 -11.0027 -7.9275 -7.9254 -6.2725 -6.2680 -5.9097 -5.9065 -1.9842 -1.9771 -1.8872 -1.8839 -1.8499 -1.8413 -1.0484 -1.0428 -1.0236 -1.0153 -0.8686 -0.8671 1.9156 1.9304 2.1717 2.1852 3.2487 3.2617 3.8266 3.8382 4.6763 4.6846 5.0007 5.0087 6.5035 6.5036 7.6723 7.6743 7.8594 7.8616 12.3965 12.3971 12.4700 12.4703 13.4501 13.4517 14.4251 14.4388 14.5552 14.5564 k = 0.0000 0.0000 0.0606 ( 3366 PWs) bands (ev): -20.9869 -20.9863 -20.5839 -20.5814 -20.4379 -20.4358 -12.8280 -12.8214 -12.4611 -12.4518 -11.0220 -11.0184 -7.9108 -7.9082 -6.3226 -6.3179 -5.8703 -5.8673 -2.0011 -1.9945 -1.8834 -1.8801 -1.8357 -1.8265 -1.0525 -1.0473 -1.0220 -1.0133 -0.8720 -0.8701 1.9007 1.9156 2.2192 2.2325 3.1890 3.2025 3.8844 3.8963 4.6200 4.6284 5.0234 5.0314 6.5153 6.5154 7.6431 7.6451 7.8771 7.8792 12.3993 12.4000 12.4880 12.4885 13.4382 13.4401 14.4051 14.4185 14.5468 14.5476 k = 0.0000 0.0000 0.0727 ( 3366 PWs) bands (ev): -20.9832 -20.9826 -20.5998 -20.5973 -20.4255 -20.4235 -12.8573 -12.8510 -12.4181 -12.4086 -11.0417 -11.0374 -7.8906 -7.8875 -6.3736 -6.3688 -5.8326 -5.8298 -2.0180 -2.0118 -1.8790 -1.8755 -1.8221 -1.8124 -1.0568 -1.0519 -1.0208 -1.0117 -0.8760 -0.8737 1.8899 1.9049 2.2697 2.2828 3.1279 3.1418 3.9435 3.9555 4.5608 4.5693 5.0417 5.0497 6.5296 6.5297 7.6128 7.6146 7.8935 7.8956 12.4053 12.4061 12.5071 12.5077 13.4235 13.4258 14.3872 14.4003 14.5368 14.5372 k = 0.0000 0.0000 0.0848 ( 3372 PWs) bands (ev): -20.9789 -20.9782 -20.6159 -20.6133 -20.4136 -20.4117 -12.8850 -12.8791 -12.3743 -12.3646 -11.0644 -11.0596 -7.8670 -7.8636 -6.4253 -6.4204 -5.7966 -5.7939 -2.0345 -2.0288 -1.8739 -1.8701 -1.8094 -1.7992 -1.0611 -1.0566 -1.0198 -1.0105 -0.8806 -0.8780 1.8830 1.8981 2.3230 2.3359 3.0661 3.0803 4.0031 4.0150 4.4990 4.5075 5.0557 5.0638 6.5463 6.5465 7.5813 7.5830 7.9087 7.9107 12.4144 12.4154 12.5270 12.5276 13.4062 13.4087 14.3714 14.3842 14.5255 14.5255 k = 0.0000 0.0000 0.0970 ( 3372 PWs) bands (ev): -20.9739 -20.9731 -20.6319 -20.6293 -20.4023 -20.4005 -12.9112 -12.9055 -12.3296 -12.3198 -11.0902 -11.0847 -7.8403 -7.8365 -6.4777 -6.4726 -5.7624 -5.7599 -2.0505 -2.0453 -1.8681 -1.8641 -1.7976 -1.7870 -1.0654 -1.0611 -1.0190 -1.0094 -0.8858 -0.8828 1.8802 1.8954 2.3790 2.3917 3.0042 3.0186 4.0627 4.0744 4.4348 4.4433 5.0655 5.0735 6.5654 6.5656 7.5486 7.5502 7.9227 7.9247 12.4268 12.4279 12.5475 12.5481 13.3862 13.3890 14.3577 14.3702 14.5128 14.5131 k = 0.0000 0.0000 0.1091 ( 3372 PWs) bands (ev): -20.9683 -20.9674 -20.6480 -20.6454 -20.3916 -20.3899 -12.9357 -12.9304 -12.2841 -12.2741 -11.1187 -11.1126 -7.8106 -7.8064 -6.5306 -6.5254 -5.7301 -5.7278 -2.0661 -2.0612 -1.8618 -1.8574 -1.7868 -1.7759 -1.0696 -1.0657 -1.0183 -1.0085 -0.8915 -0.8881 1.8814 1.8967 2.4375 2.4500 2.9422 2.9568 4.1221 4.1335 4.3683 4.3768 5.0709 5.0790 6.5867 6.5869 7.5148 7.5164 7.9356 7.9374 12.4424 12.4437 12.5681 12.5688 13.3635 13.3665 14.3460 14.3583 14.4993 14.5000 k = 0.0000 0.0000 0.1212 ( 3354 PWs) bands (ev): -20.9621 -20.9610 -20.6640 -20.6614 -20.3815 -20.3799 -12.9585 -12.9536 -12.2379 -12.2278 -11.1498 -11.1432 -7.7781 -7.7735 -6.5841 -6.5787 -5.6997 -5.6976 -2.0809 -2.0765 -1.8549 -1.8502 -1.7772 -1.7660 -1.0736 -1.0700 -1.0177 -1.0077 -0.8977 -0.8939 1.8866 1.9020 2.4983 2.5105 2.8807 2.8953 4.1809 4.1919 4.3001 4.3084 5.0722 5.0803 6.6103 6.6105 7.4801 7.4815 7.9473 7.9491 12.4613 12.4627 12.5887 12.5895 13.3382 13.3414 14.3363 14.3482 14.4854 14.4864 k = 0.0000 0.0000 0.1333 ( 3348 PWs) bands (ev): -20.9552 -20.9541 -20.6800 -20.6774 -20.3721 -20.3707 -12.9797 -12.9751 -12.1911 -12.1809 -11.1832 -11.1762 -7.7429 -7.7381 -6.6379 -6.6324 -5.6714 -5.6694 -2.0951 -2.0910 -1.8475 -1.8424 -1.7687 -1.7573 -1.0775 -1.0742 -1.0171 -1.0068 -0.9044 -0.9001 1.8956 1.9111 2.5613 2.5732 2.8196 2.8343 4.2264 4.2382 4.2392 4.2534 5.0692 5.0774 6.6358 6.6360 7.4444 7.4457 7.9579 7.9596 12.4833 12.4848 12.6090 12.6098 13.3103 13.3136 14.3285 14.3401 14.4711 14.4725 k = 0.0000 0.0000 0.1454 ( 3378 PWs) bands (ev): -20.9477 -20.9465 -20.6959 -20.6933 -20.3635 -20.3621 -12.9991 -12.9949 -12.1437 -12.1334 -11.2189 -11.2114 -7.7054 -7.7003 -6.6922 -6.6866 -5.6453 -5.6435 -2.1084 -2.1047 -1.8398 -1.8342 -1.7615 -1.7499 -1.0813 -1.0783 -1.0163 -1.0060 -0.9114 -0.9067 1.9085 1.9240 2.6262 2.6376 2.7593 2.7738 4.1569 4.1664 4.2965 4.3082 5.0621 5.0704 6.6633 6.6635 7.4078 7.4090 7.9675 7.9691 12.5082 12.5099 12.6285 12.6293 13.2798 13.2833 14.3223 14.3336 14.4567 14.4584 k = 0.0000 0.0000 0.1575 ( 3378 PWs) bands (ev): -20.9397 -20.9383 -20.7116 -20.7091 -20.3555 -20.3543 -13.0167 -13.0129 -12.0959 -12.0855 -11.2565 -11.2486 -7.6656 -7.6602 -6.7467 -6.7410 -5.6213 -5.6197 -2.1207 -2.1175 -1.8317 -1.8257 -1.7556 -1.7439 -1.0847 -1.0820 -1.0153 -1.0049 -0.9186 -0.9136 1.9251 1.9407 2.6925 2.6929 2.7111 2.7141 4.0840 4.0933 4.3530 4.3643 5.0511 5.0594 6.6926 6.6928 7.3704 7.3715 7.9761 7.9775 12.5360 12.5378 12.6472 12.6480 13.2470 13.2506 14.3179 14.3288 14.4424 14.4447 k = 0.0000 0.0000 0.1697 ( 3378 PWs) bands (ev): -20.9310 -20.9296 -20.7272 -20.7247 -20.3484 -20.3473 -13.0325 -13.0292 -12.0476 -12.0372 -11.2960 -11.2877 -7.6237 -7.6182 -6.8014 -6.7956 -5.5996 -5.5982 -2.1320 -2.1291 -1.8233 -1.8169 -1.7510 -1.7393 -1.0879 -1.0855 -1.0140 -1.0035 -0.9261 -0.9206 1.9453 1.9609 2.6395 2.6554 2.7612 2.7734 4.0099 4.0193 4.4085 4.4195 5.0363 5.0447 6.7236 6.7238 7.3323 7.3332 7.9837 7.9850 12.5666 12.5685 12.6647 12.6655 13.2120 13.2156 14.3151 14.3256 14.4285 14.4312 k = 0.0000 0.0000 0.1818 ( 3390 PWs) bands (ev): -20.9218 -20.9202 -20.7426 -20.7402 -20.3420 -20.3410 -13.0465 -13.0436 -11.9990 -11.9885 -11.3371 -11.3284 -7.5800 -7.5743 -6.8563 -6.8503 -5.5803 -5.5790 -2.1422 -2.1397 -1.8149 -1.8080 -1.7479 -1.7362 -1.0907 -1.0886 -1.0122 -1.0017 -0.9337 -0.9278 1.9690 1.9847 2.5820 2.5977 2.8308 2.8424 3.9351 3.9445 4.4627 4.4735 5.0178 5.0262 6.7561 6.7563 7.2936 7.2944 7.9903 7.9914 12.5997 12.6017 12.6808 12.6815 13.1750 13.1785 14.3138 14.3239 14.4150 14.4182 k = 0.0000 0.0000 0.1939 ( 3390 PWs) bands (ev): -20.9119 -20.9103 -20.7578 -20.7554 -20.3364 -20.3355 -13.0587 -13.0562 -11.9501 -11.9396 -11.3796 -11.3707 -7.5346 -7.5287 -6.9111 -6.9051 -5.5634 -5.5623 -2.1512 -2.1490 -1.8063 -1.7991 -1.7460 -1.7344 -1.0932 -1.0914 -1.0099 -0.9996 -0.9414 -0.9350 1.9960 2.0117 2.5255 2.5412 2.9014 2.9127 3.8599 3.8694 4.5157 4.5263 4.9957 5.0042 6.7901 6.7902 7.2543 7.2551 7.9960 7.9970 12.6350 12.6372 12.6953 12.6959 13.1361 13.1397 14.3140 14.3237 14.4021 14.4058 k = 0.0000 0.0000 0.2060 ( 3390 PWs) bands (ev): -20.9016 -20.8999 -20.7727 -20.7703 -20.3316 -20.3309 -13.0690 -13.0669 -11.9010 -11.8905 -11.4235 -11.4142 -7.4877 -7.4817 -6.9659 -6.9598 -5.5490 -5.5481 -2.1589 -2.1571 -1.7979 -1.7902 -1.7456 -1.7341 -1.0953 -1.0938 -1.0071 -0.9969 -0.9490 -0.9423 2.0263 2.0420 2.4704 2.4861 2.9725 2.9835 3.7849 3.7943 4.5672 4.5776 4.9702 4.9789 6.8253 6.8254 7.2147 7.2154 8.0007 8.0016 12.6725 12.6748 12.7079 12.7084 13.0958 13.0993 14.3155 14.3247 14.3898 14.3940 k = 0.0000 0.0000 0.2181 ( 3378 PWs) bands (ev): -20.8907 -20.8889 -20.7873 -20.7850 -20.3276 -20.3271 -13.0774 -13.0757 -11.8519 -11.8414 -11.4684 -11.4589 -7.4394 -7.4333 -7.0205 -7.0143 -5.5371 -5.5363 -2.1652 -2.1638 -1.7897 -1.7815 -1.7464 -1.7351 -1.0970 -1.0958 -1.0037 -0.9936 -0.9566 -0.9494 2.0596 2.0753 2.4168 2.4324 3.0437 3.0542 3.7107 3.7200 4.6172 4.6273 4.9415 4.9504 6.8617 6.8617 7.1749 7.1754 8.0046 8.0053 12.7117 12.7138 12.7189 12.7190 13.0541 13.0575 14.3182 14.3270 14.3783 14.3830 k = 0.0000 0.0000 0.2303 ( 3378 PWs) bands (ev): -20.8793 -20.8775 -20.8016 -20.7994 -20.3245 -20.3241 -13.0839 -13.0826 -11.8028 -11.7923 -11.5143 -11.5046 -7.3899 -7.3837 -7.0749 -7.0686 -5.5277 -5.5272 -2.1702 -2.1691 -1.7818 -1.7731 -1.7485 -1.7375 -1.0984 -1.0975 -0.9996 -0.9898 -0.9639 -0.9563 2.0957 2.1115 2.3647 2.3804 3.1135 3.1235 3.6387 3.6477 4.6654 4.6753 4.9098 4.9188 6.8990 6.8990 7.1348 7.1353 8.0077 8.0082 12.7268 12.7273 12.7524 12.7551 13.0115 13.0148 14.3222 14.3305 14.3676 14.3728 k = 0.0000 0.0000 0.2424 ( 3378 PWs) bands (ev): -20.8675 -20.8655 -20.8156 -20.8134 -20.3223 -20.3220 -13.0885 -13.0876 -11.7538 -11.7434 -11.5611 -11.5512 -7.3393 -7.3330 -7.1289 -7.1226 -5.5210 -5.5207 -2.1737 -2.1730 -1.7743 -1.7652 -1.7517 -1.7410 -1.0993 -1.0987 -0.9950 -0.9854 -0.9710 -0.9629 2.1347 2.1504 2.3145 2.3302 3.1795 3.1882 3.5718 3.5800 4.7117 4.7215 4.8753 4.8844 6.9371 6.9371 7.0948 7.0951 8.0098 8.0102 12.7330 12.7333 12.7944 12.7972 12.9681 12.9714 14.3273 14.3351 14.3577 14.3634 k = 0.0000 0.0000 0.2545 ( 3366 PWs) bands (ev): -20.8551 -20.8531 -20.8291 -20.8270 -20.3209 -20.3208 -13.0911 -13.0907 -11.7050 -11.6947 -11.6085 -11.5985 -7.2877 -7.2815 -7.1824 -7.1761 -5.5169 -5.5167 -2.1757 -2.1754 -1.7675 -1.7579 -1.7560 -1.7457 -1.0998 -1.0995 -0.9897 -0.9805 -0.9777 -0.9692 2.1762 2.1919 2.2662 2.2820 3.2346 3.2406 3.5182 3.5239 4.7560 4.7656 4.8380 4.8472 6.9759 6.9760 7.0548 7.0551 8.0112 8.0114 12.7368 12.7369 12.8372 12.8402 12.9244 12.9276 14.3334 14.3407 14.3486 14.3549 k = 0.0000 0.0000 0.2666 ( 3390 PWs) bands (ev): -20.8424 -20.8424 -20.8403 -20.8403 -20.3204 -20.3204 -13.0919 -13.0919 -11.6565 -11.6565 -11.6464 -11.6464 -7.2354 -7.2354 -7.2292 -7.2292 -5.5155 -5.5155 -2.1763 -2.1763 -1.7613 -1.7613 -1.7514 -1.7514 -1.0998 -1.0998 -0.9840 -0.9840 -0.9751 -0.9751 2.2201 2.2201 2.2358 2.2358 3.2609 3.2609 3.4973 3.4973 4.7981 4.7981 4.8076 4.8076 7.0151 7.0151 7.0153 7.0153 8.0117 8.0117 12.7380 12.7380 12.8807 12.8807 12.8837 12.8837 14.3405 14.3405 14.3473 14.3473 k = 0.0000 0.0000 0.2666 ( 3390 PWs) bands (ev): -20.8424 -20.8424 -20.8403 -20.8403 -20.3204 -20.3204 -13.0919 -13.0919 -11.6565 -11.6565 -11.6464 -11.6464 -7.2354 -7.2354 -7.2292 -7.2292 -5.5155 -5.5155 -2.1763 -2.1763 -1.7613 -1.7613 -1.7514 -1.7514 -1.0998 -1.0998 -0.9840 -0.9840 -0.9751 -0.9751 2.2201 2.2201 2.2358 2.2358 3.2609 3.2609 3.4973 3.4973 4.7981 4.7981 4.8076 4.8076 7.0151 7.0151 7.0153 7.0153 8.0117 8.0117 12.7380 12.7380 12.8807 12.8807 12.8837 12.8837 14.3405 14.3405 14.3473 14.3473 k = 0.0104 0.0060 0.2666 ( 3378 PWs) bands (ev): -20.8423 -20.8422 -20.8402 -20.8402 -20.3204 -20.3204 -13.0923 -13.0922 -11.6568 -11.6568 -11.6466 -11.6465 -7.2351 -7.2351 -7.2288 -7.2288 -5.5153 -5.5153 -2.1767 -2.1766 -1.7627 -1.7627 -1.7528 -1.7527 -1.1056 -1.1021 -0.9838 -0.9807 -0.9731 -0.9726 2.2209 2.2211 2.2368 2.2368 3.2620 3.2622 3.4976 3.4978 4.7987 4.7987 4.8082 4.8083 7.0140 7.0141 7.0160 7.0160 8.0129 8.0130 12.7203 12.7215 12.8801 12.8803 12.8981 12.8997 14.3401 14.3402 14.3464 14.3476 k = 0.0208 0.0120 0.2666 ( 3382 PWs) bands (ev): -20.8419 -20.8419 -20.8398 -20.8398 -20.3205 -20.3204 -13.0933 -13.0933 -11.6574 -11.6574 -11.6472 -11.6471 -7.2342 -7.2342 -7.2279 -7.2279 -5.5147 -5.5147 -2.1779 -2.1777 -1.7668 -1.7667 -1.7568 -1.7566 -1.1177 -1.1118 -0.9813 -0.9773 -0.9666 -0.9638 2.2234 2.2238 2.2398 2.2399 3.2655 3.2659 3.4986 3.4990 4.7998 4.7999 4.8104 4.8107 7.0105 7.0107 7.0182 7.0183 8.0165 8.0167 12.6816 12.6832 12.8745 12.8750 12.9344 12.9366 14.3386 14.3388 14.3452 14.3476 k = 0.0312 0.0180 0.2666 ( 3382 PWs) bands (ev): -20.8413 -20.8413 -20.8392 -20.8392 -20.3205 -20.3204 -13.0950 -13.0950 -11.6586 -11.6586 -11.6482 -11.6481 -7.2326 -7.2325 -7.2263 -7.2262 -5.5137 -5.5137 -2.1798 -2.1796 -1.7737 -1.7733 -1.7634 -1.7630 -1.1340 -1.1265 -0.9783 -0.9741 -0.9558 -0.9509 2.2270 2.2276 2.2454 2.2457 3.2713 3.2719 3.5004 3.5009 4.8005 4.8008 4.8152 4.8157 7.0048 7.0051 7.0220 7.0221 8.0225 8.0228 12.6353 12.6370 12.8652 12.8661 12.9775 12.9799 14.3357 14.3361 14.3445 14.3479 k = 0.0417 0.0241 0.2666 ( 3382 PWs) bands (ev): -20.8405 -20.8404 -20.8384 -20.8384 -20.3206 -20.3205 -13.0975 -13.0974 -11.6603 -11.6603 -11.6495 -11.6493 -7.2303 -7.2303 -7.2240 -7.2240 -5.5123 -5.5122 -2.1825 -2.1823 -1.7834 -1.7824 -1.7724 -1.7716 -1.1527 -1.1443 -0.9750 -0.9703 -0.9426 -0.9365 2.2311 2.2318 2.2541 2.2546 3.2795 3.2802 3.5029 3.5037 4.8007 4.8011 4.8229 4.8236 6.9971 6.9975 7.0272 7.0274 8.0307 8.0311 12.5863 12.5879 12.8527 12.8539 13.0221 13.0247 14.3319 14.3323 14.3445 14.3487 k = 0.0521 0.0301 0.2666 ( 3382 PWs) bands (ev): -20.8395 -20.8394 -20.8374 -20.8373 -20.3206 -20.3205 -13.1006 -13.1004 -11.6627 -11.6626 -11.6509 -11.6506 -7.2275 -7.2275 -7.2211 -7.2211 -5.5105 -5.5104 -2.1862 -2.1859 -1.7958 -1.7939 -1.7836 -1.7821 -1.1729 -1.1638 -0.9713 -0.9660 -0.9286 -0.9217 2.2356 2.2364 2.2660 2.2668 3.2900 3.2909 3.5063 3.5073 4.8005 4.8011 4.8331 4.8341 6.9876 6.9881 7.0339 7.0342 8.0408 8.0412 12.5361 12.5376 12.8373 12.8388 13.0663 13.0690 14.3276 14.3282 14.3451 14.3500 k = 0.0625 0.0361 0.2666 ( 3380 PWs) bands (ev): -20.8382 -20.8381 -20.8361 -20.8360 -20.3207 -20.3206 -13.1043 -13.1042 -11.6658 -11.6657 -11.6524 -11.6521 -7.2241 -7.2240 -7.2176 -7.2175 -5.5083 -5.5082 -2.1909 -2.1905 -1.8110 -1.8079 -1.7964 -1.7940 -1.1938 -1.1843 -0.9673 -0.9613 -0.9145 -0.9071 2.2404 2.2413 2.2811 2.2821 3.3027 3.3038 3.5105 3.5117 4.8002 4.8009 4.8458 4.8469 6.9766 6.9771 7.0421 7.0424 8.0526 8.0531 12.4856 12.4871 12.8193 12.8211 13.1091 13.1118 14.3234 14.3242 14.3462 14.3516 k = 0.0729 0.0421 0.2666 ( 3388 PWs) bands (ev): -20.8367 -20.8366 -20.8346 -20.8345 -20.3208 -20.3207 -13.1087 -13.1085 -11.6696 -11.6694 -11.6540 -11.6536 -7.2201 -7.2199 -7.2135 -7.2134 -5.5058 -5.5056 -2.1968 -2.1963 -1.8288 -1.8246 -1.8104 -1.8070 -1.2152 -1.2054 -0.9630 -0.9564 -0.9009 -0.8932 2.2455 2.2465 2.2990 2.3004 3.3177 3.3190 3.5156 3.5169 4.7998 4.8007 4.8607 4.8620 6.9642 6.9648 7.0516 7.0520 8.0657 8.0662 12.4352 12.4366 12.7991 12.8012 13.1498 13.1524 14.3194 14.3208 14.3479 14.3537 k = 0.0833 0.0481 0.2666 ( 3384 PWs) bands (ev): -20.8350 -20.8348 -20.8329 -20.8328 -20.3210 -20.3208 -13.1137 -13.1135 -11.6741 -11.6739 -11.6556 -11.6552 -7.2155 -7.2153 -7.2088 -7.2085 -5.5029 -5.5027 -2.2040 -2.2035 -1.8491 -1.8440 -1.8248 -1.8208 -1.2368 -1.2267 -0.9587 -0.9515 -0.8881 -0.8801 2.2509 2.2520 2.3198 2.3213 3.3349 3.3364 3.5216 3.5232 4.7994 4.8004 4.8777 4.8792 6.9508 6.9514 7.0626 7.0630 8.0798 8.0804 12.3851 12.3866 12.7773 12.7797 13.1879 13.1904 14.3160 14.3179 14.3503 14.3565 k = 0.0938 0.0541 0.2666 ( 3388 PWs) bands (ev): -20.8332 -20.8329 -20.8310 -20.8309 -20.3211 -20.3209 -13.1193 -13.1191 -11.6792 -11.6790 -11.6573 -11.6569 -7.2104 -7.2101 -7.2034 -7.2031 -5.4997 -5.4995 -2.2126 -2.2120 -1.8716 -1.8658 -1.8394 -1.8348 -1.2584 -1.2482 -0.9546 -0.9468 -0.8762 -0.8680 2.2566 2.2577 2.3431 2.3449 3.3541 3.3559 3.5286 3.5304 4.7991 4.8003 4.8967 4.8984 6.9366 6.9373 7.0749 7.0753 8.0947 8.0953 12.3356 12.3371 12.7542 12.7569 13.2229 13.2252 14.3131 14.3157 14.3536 14.3600 k = 0.1042 0.0601 0.2666 ( 3394 PWs) bands (ev): -20.8311 -20.8308 -20.8289 -20.8287 -20.3213 -20.3211 -13.1255 -13.1252 -11.6850 -11.6847 -11.6591 -11.6586 -7.2048 -7.2044 -7.1975 -7.1971 -5.4961 -5.4959 -2.2229 -2.2222 -1.8964 -1.8900 -1.8538 -1.8489 -1.2800 -1.2696 -0.9508 -0.9424 -0.8653 -0.8570 2.2624 2.2636 2.3690 2.3710 3.3752 3.3774 3.5366 3.5388 4.7990 4.8004 4.9176 4.9195 6.9219 6.9227 7.0884 7.0890 8.1099 8.1105 12.2867 12.2883 12.7302 12.7332 13.2543 13.2563 14.3105 14.3140 14.3583 14.3647 k = 0.1146 0.0662 0.2666 ( 3386 PWs) bands (ev): -20.8288 -20.8284 -20.8266 -20.8263 -20.3214 -20.3212 -13.1322 -13.1319 -11.6912 -11.6909 -11.6609 -11.6605 -7.1987 -7.1982 -7.1910 -7.1906 -5.4923 -5.4920 -2.2350 -2.2341 -1.9230 -1.9161 -1.8676 -1.8625 -1.3013 -1.2909 -0.9474 -0.9386 -0.8556 -0.8471 2.2683 2.2696 2.3972 2.3994 3.3980 3.4007 3.5459 3.5484 4.7992 4.8007 4.9402 4.9423 6.9071 6.9078 7.1033 7.1038 8.1253 8.1259 12.2386 12.2403 12.7057 12.7091 13.2819 13.2836 14.3080 14.3123 14.3646 14.3709 k = 0.1250 0.0722 0.2666 ( 3382 PWs) bands (ev): -20.8263 -20.8259 -20.8241 -20.8238 -20.3216 -20.3214 -13.1394 -13.1392 -11.6981 -11.6977 -11.6629 -11.6624 -7.1921 -7.1915 -7.1840 -7.1834 -5.4882 -5.4879 -2.2490 -2.2479 -1.9513 -1.9440 -1.8806 -1.8754 -1.3225 -1.3120 -0.9446 -0.9354 -0.8470 -0.8384 2.2742 2.2755 2.4276 2.4301 3.4222 3.4257 3.5565 3.5595 4.7997 4.8013 4.9644 4.9667 6.8922 6.8930 7.1193 7.1199 8.1405 8.1411 12.1912 12.1930 12.6811 12.6848 13.3054 13.3066 14.3052 14.3104 14.3729 14.3790 k = 0.1354 0.0782 0.2666 ( 3378 PWs) bands (ev): -20.8236 -20.8231 -20.8215 -20.8211 -20.3219 -20.3216 -13.1471 -13.1469 -11.7053 -11.7050 -11.6650 -11.6645 -7.1850 -7.1843 -7.1765 -7.1758 -5.4839 -5.4835 -2.2649 -2.2637 -1.9812 -1.9736 -1.8926 -1.8873 -1.3434 -1.3330 -0.9425 -0.9329 -0.8395 -0.8309 2.2799 2.2812 2.4601 2.4628 3.4475 3.4520 3.5686 3.5724 4.8007 4.8025 4.9900 4.9926 6.8776 6.8784 7.1365 7.1371 8.1552 8.1558 12.1447 12.1466 12.6567 12.6608 13.3245 13.3252 14.3018 14.3077 14.3834 14.3891 k = 0.1458 0.0842 0.2666 ( 3382 PWs) bands (ev): -20.8208 -20.8202 -20.8187 -20.8182 -20.3221 -20.3219 -13.1553 -13.1550 -11.7130 -11.7126 -11.6672 -11.6666 -7.1775 -7.1767 -7.1685 -7.1677 -5.4793 -5.4790 -2.2828 -2.2813 -2.0124 -2.0045 -1.9033 -1.8980 -1.3640 -1.3537 -0.9411 -0.9313 -0.8332 -0.8246 2.2854 2.2868 2.4945 2.4973 3.4734 3.4790 3.5826 3.5875 4.8021 4.8041 5.0169 5.0198 6.8634 6.8642 7.1547 7.1554 8.1693 8.1698 12.0989 12.1010 12.6327 12.6371 13.3392 13.3395 14.2974 14.3039 14.3959 14.4011 k = 0.1562 0.0902 0.2666 ( 3378 PWs) bands (ev): -20.8179 -20.8172 -20.8157 -20.8151 -20.3224 -20.3221 -13.1639 -13.1636 -11.7211 -11.7207 -11.6694 -11.6689 -7.1695 -7.1686 -7.1601 -7.1591 -5.4746 -5.4742 -2.3026 -2.3009 -2.0448 -2.0365 -1.9126 -1.9074 -1.3844 -1.3741 -0.9406 -0.9305 -0.8281 -0.8194 2.2907 2.2920 2.5305 2.5336 3.4990 3.5063 3.5992 3.6054 4.8042 4.8063 5.0450 5.0481 6.8499 6.8506 7.1739 7.1746 8.1824 8.1829 12.0539 12.0562 12.6094 12.6141 13.3490 13.3497 14.2918 14.2985 14.4101 14.4147 k = 0.1667 0.0962 0.2666 ( 3388 PWs) bands (ev): -20.8148 -20.8140 -20.8126 -20.8119 -20.3227 -20.3224 -13.1729 -13.1725 -11.7296 -11.7291 -11.6718 -11.6712 -7.1611 -7.1601 -7.1512 -7.1502 -5.4697 -5.4693 -2.3243 -2.3222 -2.0780 -2.0696 -1.9205 -1.9154 -1.4045 -1.3944 -0.9409 -0.9306 -0.8240 -0.8153 2.2955 2.2968 2.5681 2.5713 3.5238 3.5326 3.6190 3.6266 4.8069 4.8093 5.0740 5.0773 6.8372 6.8379 7.1940 7.1948 8.1943 8.1949 12.0097 12.0121 12.5868 12.5919 13.3544 13.3557 14.2843 14.2912 14.4252 14.4290 k = 0.1771 0.1022 0.2666 ( 3404 PWs) bands (ev): -20.8116 -20.8107 -20.8094 -20.8085 -20.3230 -20.3227 -13.1822 -13.1818 -11.7383 -11.7378 -11.6743 -11.6736 -7.1524 -7.1512 -7.1420 -7.1409 -5.4647 -5.4643 -2.3475 -2.3451 -2.1120 -2.1034 -1.9270 -1.9221 -1.4243 -1.4143 -0.9421 -0.9317 -0.8211 -0.8124 2.2999 2.3011 2.6070 2.6104 3.5471 3.5573 3.6428 3.6516 4.8105 4.8131 5.1037 5.1073 6.8254 6.8261 7.2149 7.2157 8.2050 8.2055 11.9662 11.9688 12.5651 12.5705 13.3558 13.3577 14.2747 14.2814 14.4395 14.4426 k = 0.1875 0.1083 0.2666 ( 3398 PWs) bands (ev): -20.8083 -20.8073 -20.8060 -20.8051 -20.3234 -20.3231 -13.1918 -13.1914 -11.7473 -11.7468 -11.6768 -11.6761 -7.1433 -7.1420 -7.1325 -7.1312 -5.4596 -5.4592 -2.3721 -2.3694 -2.1466 -2.1378 -1.9322 -1.9274 -1.4438 -1.4340 -0.9442 -0.9336 -0.8191 -0.8105 2.3038 2.3050 2.6470 2.6505 3.5689 3.5798 3.6710 3.6803 4.8150 4.8178 5.1341 5.1380 6.8148 6.8155 7.2366 7.2375 8.2142 8.2148 11.9235 11.9263 12.5444 12.5501 13.3534 13.3560 14.2622 14.2684 14.4502 14.4527 k = 0.1979 0.1143 0.2666 ( 3394 PWs) bands (ev): -20.8049 -20.8037 -20.8026 -20.8015 -20.3237 -20.3234 -13.2016 -13.2013 -11.7565 -11.7560 -11.6794 -11.6787 -7.1339 -7.1324 -7.1227 -7.1212 -5.4544 -5.4540 -2.3978 -2.3948 -2.1816 -2.1727 -1.9362 -1.9315 -1.4629 -1.4533 -0.9471 -0.9364 -0.8182 -0.8096 2.3073 2.3084 2.6879 2.6915 3.5892 3.6004 3.7030 3.7123 4.8206 4.8236 5.1649 5.1691 6.8055 6.8062 7.2590 7.2599 8.2219 8.2225 11.8815 11.8844 12.5246 12.5307 13.3476 13.3509 14.2458 14.2513 14.4522 14.4559 k = 0.2083 0.1203 0.2666 ( 3394 PWs) bands (ev): -20.8014 -20.8001 -20.7990 -20.7978 -20.3241 -20.3238 -13.2117 -13.2114 -11.7659 -11.7654 -11.6820 -11.6814 -7.1242 -7.1226 -7.1126 -7.1110 -5.4492 -5.4488 -2.4245 -2.4212 -2.2168 -2.2078 -1.9390 -1.9346 -1.4818 -1.4724 -0.9507 -0.9401 -0.8183 -0.8097 2.3101 2.3113 2.7293 2.7331 3.6085 3.6198 3.7379 3.7470 4.8273 4.8306 5.1960 5.2004 6.7977 6.7983 7.2819 7.2829 8.2278 8.2285 11.8401 11.8431 12.5058 12.5122 13.3387 13.3427 14.2243 14.2290 14.4420 14.4479 k = 0.2188 0.1263 0.2666 ( 3398 PWs) bands (ev): -20.7978 -20.7965 -20.7952 -20.7940 -20.3246 -20.3242 -13.2219 -13.2216 -11.7754 -11.7749 -11.6847 -11.6841 -7.1142 -7.1124 -7.1023 -7.1006 -5.4440 -5.4435 -2.4518 -2.4482 -2.2521 -2.2430 -1.9409 -1.9366 -1.5003 -1.4911 -0.9551 -0.9445 -0.8192 -0.8108 2.3125 2.3136 2.7711 2.7749 3.6274 3.6385 3.7749 3.7836 4.8353 4.8388 5.2270 5.2318 6.7913 6.7920 7.3053 7.3063 8.2320 8.2328 11.7994 11.8025 12.4879 12.4945 13.3272 13.3317 14.1965 14.2007 14.4225 14.4302 k = 0.2292 0.1323 0.2666 ( 3400 PWs) bands (ev): -20.7941 -20.7928 -20.7914 -20.7902 -20.3250 -20.3247 -13.2323 -13.2320 -11.7850 -11.7845 -11.6874 -11.6868 -7.1040 -7.1021 -7.0919 -7.0900 -5.4388 -5.4383 -2.4796 -2.4757 -2.2873 -2.2782 -1.9420 -1.9378 -1.5184 -1.5094 -0.9602 -0.9496 -0.8211 -0.8128 2.3143 2.3154 2.8129 2.8168 3.6462 3.6570 3.8134 3.8216 4.8446 4.8484 5.2580 5.2630 6.7867 6.7873 7.3291 7.3300 8.2343 8.2352 11.7593 11.7624 12.4708 12.4776 13.3133 13.3184 14.1620 14.1663 14.4004 14.4092 k = 0.2396 0.1383 0.2666 ( 3400 PWs) bands (ev): -20.7905 -20.7891 -20.7876 -20.7863 -20.3255 -20.3252 -13.2428 -13.2424 -11.7947 -11.7941 -11.6902 -11.6895 -7.0936 -7.0915 -7.0813 -7.0792 -5.4337 -5.4332 -2.5076 -2.5035 -2.3224 -2.3132 -1.9422 -1.9382 -1.5361 -1.5274 -0.9659 -0.9553 -0.8238 -0.8156 2.3157 2.3167 2.8546 2.8585 3.6651 3.6757 3.8527 3.8605 4.8554 4.8595 5.2886 5.2940 6.7838 6.7843 7.3531 7.3541 8.2348 8.2357 11.7198 11.7230 12.4544 12.4615 13.2975 13.3031 14.1216 14.1267 14.3804 14.3898 k = 0.2500 0.1443 0.2666 ( 3404 PWs) bands (ev): -20.7868 -20.7854 -20.7836 -20.7823 -20.3260 -20.3257 -13.2532 -13.2529 -11.8043 -11.8038 -11.6930 -11.6923 -7.0831 -7.0808 -7.0707 -7.0684 -5.4287 -5.4282 -2.5356 -2.5313 -2.3571 -2.3479 -1.9418 -1.9379 -1.5534 -1.5450 -0.9720 -0.9616 -0.8272 -0.8192 2.3165 2.3175 2.8956 2.8996 3.6844 3.6948 3.8924 3.8997 4.8677 4.8721 5.3187 5.3244 6.7827 6.7833 7.3772 7.3782 8.2333 8.2343 11.6810 11.6842 12.4387 12.4459 13.2799 13.2860 14.0772 14.0830 14.3639 14.3739 k = 0.2604 0.1504 0.2666 ( 3404 PWs) bands (ev): -20.7831 -20.7817 -20.7796 -20.7783 -20.3265 -20.3262 -13.2637 -13.2634 -11.8139 -11.8134 -11.6957 -11.6951 -7.0725 -7.0700 -7.0600 -7.0575 -5.4238 -5.4232 -2.5635 -2.5590 -2.3914 -2.3822 -1.9408 -1.9371 -1.5702 -1.5621 -0.9787 -0.9683 -0.8314 -0.8235 2.3169 2.3179 2.9359 2.9398 3.7041 3.7143 3.9322 3.9391 4.8816 4.8864 5.3481 5.3541 6.7837 6.7842 7.4013 7.4023 8.2298 8.2310 11.6428 11.6460 12.4235 12.4308 13.2610 13.2674 14.0307 14.0371 14.3511 14.3613 k = 0.2708 0.1564 0.2666 ( 3410 PWs) bands (ev): -20.7794 -20.7781 -20.7757 -20.7744 -20.3271 -20.3267 -13.2742 -13.2738 -11.8234 -11.8229 -11.6985 -11.6979 -7.0618 -7.0591 -7.0493 -7.0467 -5.4190 -5.4184 -2.5911 -2.5864 -2.4252 -2.4160 -1.9393 -1.9357 -1.5866 -1.5788 -0.9856 -0.9754 -0.8362 -0.8285 2.3169 2.3179 2.9750 2.9788 3.7245 3.7345 3.9717 3.9781 4.8973 4.9024 5.3766 5.3830 6.7867 6.7871 7.4252 7.4262 8.2245 8.2257 11.6053 11.6084 12.4089 12.4161 13.2408 13.2475 13.9835 13.9903 14.3415 14.3518 k = 0.2812 0.1624 0.2666 ( 3418 PWs) bands (ev): -20.7757 -20.7744 -20.7717 -20.7704 -20.3277 -20.3273 -13.2845 -13.2842 -11.8329 -11.8323 -11.7013 -11.7006 -7.0511 -7.0482 -7.0387 -7.0359 -5.4143 -5.4138 -2.6183 -2.6134 -2.4583 -2.4492 -1.9374 -1.9339 -1.6025 -1.5949 -0.9929 -0.9828 -0.8417 -0.8341 2.3165 2.3175 3.0127 3.0164 3.7456 3.7554 4.0105 4.0165 4.9146 4.9201 5.4041 5.4107 6.7918 6.7922 7.4488 7.4498 8.2172 8.2186 11.5685 11.5716 12.3946 12.4019 13.2197 13.2267 13.9365 13.9437 14.3347 14.3450 k = 0.2917 0.1684 0.2666 ( 3426 PWs) bands (ev): -20.7721 -20.7708 -20.7677 -20.7665 -20.3283 -20.3279 -13.2947 -13.2944 -11.8421 -11.8416 -11.7040 -11.7034 -7.0404 -7.0373 -7.0283 -7.0252 -5.4099 -5.4094 -2.6448 -2.6397 -2.4907 -2.4816 -1.9351 -1.9317 -1.6178 -1.6106 -1.0003 -0.9903 -0.8476 -0.8402 2.3158 2.3167 3.0486 3.0523 3.7675 3.7770 4.0483 4.0540 4.9337 4.9397 5.4302 5.4372 6.7990 6.7994 7.4719 7.4729 8.2081 8.2096 11.5325 11.5354 12.3808 12.3880 13.1978 13.2050 13.8906 13.8979 14.3305 14.3406 k = 0.3021 0.1744 0.2666 ( 3420 PWs) bands (ev): -20.7685 -20.7673 -20.7638 -20.7626 -20.3288 -20.3285 -13.3047 -13.3044 -11.8512 -11.8507 -11.7066 -11.7060 -7.0298 -7.0265 -7.0179 -7.0146 -5.4056 -5.4051 -2.6706 -2.6654 -2.5222 -2.5132 -1.9325 -1.9293 -1.6326 -1.6256 -1.0078 -0.9980 -0.8540 -0.8467 2.3148 2.3158 3.0827 3.0861 3.7902 3.7994 4.0850 4.0904 4.9545 4.9610 5.4550 5.4623 6.8085 6.8089 7.4944 7.4954 8.1973 8.1988 11.4973 11.5001 12.3675 12.3746 13.1754 13.1827 13.8460 13.8533 14.3285 14.3384 k = 0.3125 0.1804 0.2666 ( 3412 PWs) bands (ev): -20.7650 -20.7638 -20.7599 -20.7587 -20.3294 -20.3291 -13.3145 -13.3142 -11.8600 -11.8595 -11.7093 -11.7087 -7.0193 -7.0157 -7.0078 -7.0042 -5.4016 -5.4010 -2.6955 -2.6902 -2.5528 -2.5439 -1.9296 -1.9265 -1.6467 -1.6401 -1.0153 -1.0058 -0.8608 -0.8537 2.3136 2.3146 3.1146 3.1178 3.8137 3.8227 4.1202 4.1253 4.9771 4.9840 5.4782 5.4858 6.8203 6.8207 7.5160 7.5170 8.1847 8.1863 11.4630 11.4657 12.3547 12.3617 13.1525 13.1599 13.8030 13.8103 14.3288 14.3384 k = 0.3229 0.1864 0.2666 ( 3410 PWs) bands (ev): -20.7615 -20.7604 -20.7561 -20.7550 -20.3301 -20.3297 -13.3240 -13.3237 -11.8685 -11.8681 -11.7118 -11.7112 -7.0090 -7.0052 -6.9979 -6.9941 -5.3978 -5.3972 -2.7195 -2.7141 -2.5824 -2.5736 -1.9266 -1.9236 -1.6603 -1.6540 -1.0228 -1.0134 -0.8679 -0.8610 2.3122 2.3131 3.1441 3.1472 3.8379 3.8466 4.1536 4.1586 5.0013 5.0087 5.4996 5.5076 6.8344 6.8347 7.5366 7.5375 8.1706 8.1722 11.4297 11.4322 12.3425 12.3492 13.1294 13.1368 13.7616 13.7688 14.3310 14.3403 k = 0.3333 0.1925 0.2666 ( 3410 PWs) bands (ev): -20.7582 -20.7572 -20.7523 -20.7513 -20.3307 -20.3303 -13.3332 -13.3329 -11.8768 -11.8763 -11.7143 -11.7137 -6.9989 -6.9948 -6.9882 -6.9842 -5.3942 -5.3937 -2.7425 -2.7370 -2.6109 -2.6023 -1.9234 -1.9206 -1.6732 -1.6672 -1.0301 -1.0210 -0.8752 -0.8685 2.3107 2.3116 3.1713 3.1741 3.8628 3.8713 4.1852 4.1900 5.0271 5.0349 5.5192 5.5275 6.8508 6.8511 7.5557 7.5566 8.1551 8.1568 11.3975 11.3999 12.3309 12.3375 13.1062 13.1135 13.7220 13.7291 14.3351 14.3439 k = 0.3438 0.1985 0.2666 ( 3414 PWs) bands (ev): -20.7550 -20.7540 -20.7487 -20.7478 -20.3313 -20.3310 -13.3421 -13.3418 -11.8847 -11.8843 -11.7167 -11.7161 -6.9891 -6.9848 -6.9790 -6.9747 -5.3909 -5.3903 -2.7643 -2.7588 -2.6382 -2.6297 -1.9201 -1.9174 -1.6854 -1.6798 -1.0372 -1.0284 -0.8827 -0.8762 2.3090 2.3099 3.1960 3.1985 3.8882 3.8964 4.2148 4.2195 5.0543 5.0626 5.5367 5.5453 6.8695 6.8697 7.5732 7.5741 8.1385 8.1402 11.3665 11.3687 12.3201 12.3264 13.0830 13.0902 13.6841 13.6910 14.3407 14.3491 k = 0.3542 0.2045 0.2666 ( 3414 PWs) bands (ev): -20.7519 -20.7510 -20.7453 -20.7443 -20.3319 -20.3316 -13.3505 -13.3503 -11.8923 -11.8918 -11.7190 -11.7185 -6.9796 -6.9751 -6.9700 -6.9655 -5.3878 -5.3873 -2.7849 -2.7794 -2.6642 -2.6560 -1.9168 -1.9142 -1.6969 -1.6916 -1.0441 -1.0356 -0.8902 -0.8840 2.3073 2.3082 3.2182 3.2204 3.9139 3.9218 4.2423 4.2469 5.0828 5.0915 5.5521 5.5610 6.8905 6.8907 7.5886 7.5894 8.1210 8.1227 11.3369 11.3389 12.3103 12.3163 13.0599 13.0669 13.6480 13.6547 14.3477 14.3555 k = 0.3646 0.2105 0.2666 ( 3412 PWs) bands (ev): -20.7490 -20.7482 -20.7419 -20.7411 -20.3325 -20.3322 -13.3586 -13.3583 -11.8994 -11.8990 -11.7211 -11.7207 -6.9705 -6.9657 -6.9615 -6.9567 -5.3849 -5.3844 -2.8042 -2.7987 -2.6889 -2.6809 -1.9135 -1.9110 -1.7077 -1.7028 -1.0506 -1.0424 -0.8977 -0.8917 2.3056 2.3065 3.2380 3.2400 3.9397 3.9472 4.2675 4.2722 5.1123 5.1215 5.5652 5.5744 6.9138 6.9138 7.6016 7.6024 8.1031 8.1048 11.3087 11.3106 12.3013 12.3071 13.0371 13.0439 13.6138 13.6202 14.3556 14.3627 k = 0.3750 0.2165 0.2666 ( 3402 PWs) bands (ev): -20.7462 -20.7454 -20.7387 -20.7379 -20.3331 -20.3328 -13.3662 -13.3660 -11.9062 -11.9058 -11.7232 -11.7227 -6.9619 -6.9568 -6.9534 -6.9484 -5.3823 -5.3819 -2.8221 -2.8167 -2.7122 -2.7044 -1.9102 -1.9079 -1.7178 -1.7132 -1.0567 -1.0489 -0.9051 -0.8994 2.3039 2.3047 3.2556 3.2573 3.9653 3.9725 4.2906 4.2953 5.1427 5.1523 5.5760 5.5855 6.9391 6.9392 7.6117 7.6124 8.0851 8.0867 11.2822 11.2839 12.2935 12.2989 13.0146 13.0211 13.5815 13.5875 14.3640 14.3704 k = 0.3854 0.2225 0.2666 ( 3410 PWs) bands (ev): -20.7436 -20.7429 -20.7358 -20.7350 -20.3336 -20.3334 -13.3733 -13.3731 -11.9125 -11.9121 -11.7251 -11.7247 -6.9537 -6.9484 -6.9458 -6.9405 -5.3800 -5.3796 -2.8387 -2.8333 -2.7340 -2.7265 -1.9069 -1.9048 -1.7271 -1.7228 -1.0624 -1.0550 -0.9124 -0.9070 2.3022 2.3030 3.2709 3.2724 3.9904 3.9973 4.3115 4.3161 5.1737 5.1836 5.5844 5.5941 6.9665 6.9666 7.6184 7.6190 8.0675 8.0691 11.2573 11.2589 12.2867 12.2917 12.9928 12.9989 13.5512 13.5569 14.3724 14.3781 k = 0.3958 0.2285 0.2666 ( 3404 PWs) bands (ev): -20.7412 -20.7405 -20.7330 -20.7323 -20.3342 -20.3339 -13.3799 -13.3797 -11.9183 -11.9180 -11.7269 -11.7265 -6.9460 -6.9407 -6.9387 -6.9333 -5.3779 -5.3775 -2.8538 -2.8486 -2.7542 -2.7471 -1.9038 -1.9019 -1.7356 -1.7317 -1.0676 -1.0607 -0.9193 -0.9142 2.3006 2.3013 3.2843 3.2855 4.0147 4.0212 4.3301 4.3347 5.2050 5.2152 5.5903 5.6002 6.9958 6.9959 7.6212 7.6217 8.0510 8.0524 11.2343 11.2357 12.2811 12.2857 12.9716 12.9774 13.5230 13.5283 14.3805 14.3854 k = 0.4062 0.2345 0.2666 ( 3404 PWs) bands (ev): -20.7390 -20.7384 -20.7304 -20.7298 -20.3347 -20.3345 -13.3860 -13.3858 -11.9236 -11.9233 -11.7285 -11.7282 -6.9389 -6.9337 -6.9318 -6.9265 -5.3760 -5.3757 -2.8674 -2.8624 -2.7728 -2.7660 -1.9009 -1.8991 -1.7433 -1.7398 -1.0724 -1.0659 -0.9259 -0.9212 2.2991 2.2998 3.2957 3.2968 4.0380 4.0441 4.3467 4.3511 5.2363 5.2467 5.5937 5.6038 7.0269 7.0270 7.6196 7.6200 8.0360 8.0372 11.2132 11.2145 12.2765 12.2808 12.9514 12.9566 13.4971 13.5019 14.3879 14.3919 k = 0.4167 0.2406 0.2666 ( 3408 PWs) bands (ev): -20.7369 -20.7364 -20.7280 -20.7275 -20.3352 -20.3349 -13.3915 -13.3913 -11.9285 -11.9282 -11.7300 -11.7297 -6.9325 -6.9276 -6.9254 -6.9205 -5.3744 -5.3741 -2.8795 -2.8747 -2.7897 -2.7834 -1.8982 -1.8966 -1.7503 -1.7471 -1.0766 -1.0707 -0.9321 -0.9277 2.2977 2.2983 3.3055 3.3064 4.0598 4.0654 4.3611 4.3654 5.2673 5.2779 5.5946 5.6049 7.0594 7.0597 7.6132 7.6137 8.0229 8.0240 11.1942 11.1953 12.2730 12.2769 12.9322 12.9370 13.4736 13.4779 14.3941 14.3973 k = 0.4271 0.2466 0.2666 ( 3404 PWs) bands (ev): -20.7351 -20.7347 -20.7259 -20.7254 -20.3356 -20.3354 -13.3964 -13.3962 -11.9328 -11.9325 -11.7313 -11.7311 -6.9266 -6.9222 -6.9194 -6.9150 -5.3730 -5.3727 -2.8901 -2.8856 -2.8048 -2.7989 -1.8956 -1.8942 -1.7564 -1.7536 -1.0802 -1.0750 -0.9377 -0.9338 2.2964 2.2970 3.3138 3.3145 4.0799 4.0851 4.3736 4.3776 5.2977 5.3084 5.5931 5.6034 7.0932 7.0935 7.6021 7.6026 8.0122 8.0131 11.1772 11.1782 12.2705 12.2740 12.9144 12.9187 13.4525 13.4563 14.3991 14.4016 k = 0.4375 0.2526 0.2666 ( 3408 PWs) bands (ev): -20.7335 -20.7332 -20.7240 -20.7236 -20.3359 -20.3358 -13.4006 -13.4005 -11.9365 -11.9363 -11.7325 -11.7323 -6.9215 -6.9177 -6.9141 -6.9103 -5.3718 -5.3715 -2.8991 -2.8950 -2.8180 -2.8127 -1.8934 -1.8921 -1.7617 -1.7593 -1.0834 -1.0787 -0.9427 -0.9392 2.2952 2.2957 3.3206 3.3211 4.0981 4.1027 4.3843 4.3879 5.3272 5.3379 5.5893 5.5996 7.1277 7.1281 7.5863 7.5869 8.0038 8.0045 11.1624 11.1632 12.2688 12.2719 12.8982 12.9019 13.4341 13.4374 14.4028 14.4047 k = 0.4479 0.2586 0.2666 ( 3416 PWs) bands (ev): -20.7322 -20.7319 -20.7224 -20.7221 -20.3363 -20.3361 -13.4043 -13.4042 -11.9397 -11.9396 -11.7335 -11.7333 -6.9170 -6.9138 -6.9094 -6.9062 -5.3708 -5.3706 -2.9066 -2.9030 -2.8293 -2.8247 -1.8914 -1.8904 -1.7661 -1.7641 -1.0859 -1.0820 -0.9470 -0.9441 2.2943 2.2947 3.3261 3.3266 4.1141 4.1180 4.3931 4.3963 5.3554 5.3659 5.5834 5.5936 7.1626 7.1630 7.5667 7.5673 7.9976 7.9981 11.1499 11.1505 12.2678 12.2704 12.8839 12.8870 13.4183 13.4211 14.4054 14.4068 k = 0.4583 0.2646 0.2666 ( 3412 PWs) bands (ev): -20.7310 -20.7308 -20.7211 -20.7208 -20.3365 -20.3364 -13.4073 -13.4072 -11.9424 -11.9422 -11.7343 -11.7341 -6.9133 -6.9107 -6.9055 -6.9030 -5.3700 -5.3698 -2.9126 -2.9096 -2.8385 -2.8347 -1.8897 -1.8889 -1.7697 -1.7682 -1.0879 -1.0847 -0.9506 -0.9482 2.2935 2.2938 3.3305 3.3309 4.1275 4.1308 4.4002 4.4029 5.3818 5.3919 5.5757 5.5855 7.1970 7.1975 7.5441 7.5448 7.9932 7.9936 11.1396 11.1401 12.2674 12.2695 12.8717 12.8743 13.4054 13.4076 14.4071 14.4082 k = 0.4688 0.2706 0.2666 ( 3412 PWs) bands (ev): -20.7302 -20.7300 -20.7201 -20.7199 -20.3368 -20.3367 -13.4097 -13.4096 -11.9444 -11.9443 -11.7349 -11.7348 -6.9103 -6.9084 -6.9024 -6.9005 -5.3694 -5.3692 -2.9172 -2.9148 -2.8457 -2.8427 -1.8884 -1.8877 -1.7725 -1.7713 -1.0894 -1.0869 -0.9534 -0.9516 2.2929 2.2931 3.3339 3.3341 4.1384 4.1409 4.4057 4.4078 5.4058 5.4151 5.5670 5.5760 7.2297 7.2302 7.5203 7.5209 7.9903 7.9906 11.1316 11.1319 12.2674 12.2690 12.8620 12.8639 13.3953 13.3970 14.4080 14.4088 k = 0.4792 0.2766 0.2666 ( 3416 PWs) bands (ev): -20.7295 -20.7294 -20.7193 -20.7192 -20.3369 -20.3368 -13.4114 -13.4113 -11.9459 -11.9458 -11.7354 -11.7353 -6.9080 -6.9068 -6.9000 -6.8987 -5.3689 -5.3688 -2.9202 -2.9186 -2.8506 -2.8486 -1.8874 -1.8869 -1.7744 -1.7737 -1.0903 -1.0886 -0.9553 -0.9541 2.2924 2.2926 3.3362 3.3364 4.1464 4.1481 4.4097 4.4111 5.4264 5.4340 5.5584 5.5659 7.2585 7.2589 7.4975 7.4981 7.9885 7.9887 11.1258 11.1261 12.2675 12.2686 12.8549 12.8562 13.3882 13.3893 14.4086 14.4091 k = 0.4896 0.2827 0.2666 ( 3428 PWs) bands (ev): -20.7291 -20.7290 -20.7188 -20.7188 -20.3370 -20.3370 -13.4124 -13.4123 -11.9468 -11.9467 -11.7356 -11.7356 -6.9066 -6.9059 -6.8985 -6.8978 -5.3687 -5.3686 -2.9219 -2.9210 -2.8534 -2.8524 -1.8867 -1.8865 -1.7755 -1.7751 -1.0906 -1.0898 -0.9564 -0.9557 2.2922 2.2922 3.3376 3.3377 4.1514 4.1523 4.4122 4.4129 5.4417 5.4463 5.5524 5.5568 7.2797 7.2800 7.4800 7.4804 7.9876 7.9876 11.1224 11.1225 12.2678 12.2683 12.8507 12.8514 13.3840 13.3846 14.4089 14.4091 k = 0.5000 0.2887 0.2666 ( 3424 PWs) bands (ev): -20.7290 -20.7290 -20.7186 -20.7186 -20.3370 -20.3370 -13.4127 -13.4127 -11.9470 -11.9470 -11.7357 -11.7357 -6.9059 -6.9059 -6.8977 -6.8977 -5.3685 -5.3685 -2.9221 -2.9221 -2.8540 -2.8540 -1.8864 -1.8864 -1.7758 -1.7758 -1.0905 -1.0905 -0.9565 -0.9565 2.2921 2.2921 3.3381 3.3381 4.1534 4.1534 4.4133 4.4133 5.4491 5.4491 5.5516 5.5516 7.2879 7.2879 7.4733 7.4733 7.9873 7.9873 11.1213 11.1213 12.2681 12.2681 12.8496 12.8496 13.3828 13.3828 14.4091 14.4091 k = 0.5000 0.2887 0.2666 ( 3424 PWs) bands (ev): -20.7290 -20.7290 -20.7186 -20.7186 -20.3370 -20.3370 -13.4127 -13.4127 -11.9470 -11.9470 -11.7357 -11.7357 -6.9059 -6.9059 -6.8977 -6.8977 -5.3685 -5.3685 -2.9221 -2.9221 -2.8540 -2.8540 -1.8864 -1.8864 -1.7758 -1.7758 -1.0905 -1.0905 -0.9565 -0.9565 2.2921 2.2921 3.3381 3.3381 4.1534 4.1534 4.4133 4.4133 5.4491 5.4491 5.5516 5.5516 7.2879 7.2879 7.4733 7.4733 7.9873 7.9873 11.1213 11.1213 12.2681 12.2681 12.8496 12.8496 13.3828 13.3828 14.4091 14.4091 k = 0.4940 0.2990 0.2666 ( 3424 PWs) bands (ev): -20.7289 -20.7289 -20.7186 -20.7186 -20.3370 -20.3370 -13.4128 -13.4128 -11.9469 -11.9469 -11.7360 -11.7360 -6.9057 -6.9057 -6.8976 -6.8976 -5.3685 -5.3685 -2.9221 -2.9220 -2.8539 -2.8538 -1.8875 -1.8873 -1.7762 -1.7761 -1.0905 -1.0905 -0.9569 -0.9569 2.2941 2.2942 3.3387 3.3388 4.1528 4.1529 4.4136 4.4139 5.4485 5.4487 5.5508 5.5508 7.2874 7.2875 7.4741 7.4742 7.9877 7.9879 11.1217 11.1217 12.2678 12.2681 12.8493 12.8494 13.3810 13.3815 14.4081 14.4081 k = 0.4881 0.3093 0.2666 ( 3416 PWs) bands (ev): -20.7287 -20.7287 -20.7185 -20.7185 -20.3371 -20.3370 -13.4130 -13.4130 -11.9467 -11.9466 -11.7368 -11.7367 -6.9054 -6.9054 -6.8973 -6.8973 -5.3684 -5.3684 -2.9220 -2.9217 -2.8534 -2.8533 -1.8905 -1.8902 -1.7774 -1.7771 -1.0907 -1.0905 -0.9580 -0.9579 2.3003 2.3004 3.3405 3.3407 4.1511 4.1514 4.4149 4.4156 5.4469 5.4472 5.5486 5.5486 7.2861 7.2863 7.4767 7.4769 7.9890 7.9893 11.1229 11.1230 12.2672 12.2678 12.8487 12.8488 13.3763 13.3773 14.4051 14.4052 k = 0.4821 0.3196 0.2666 ( 3412 PWs) bands (ev): -20.7285 -20.7285 -20.7183 -20.7183 -20.3371 -20.3371 -13.4135 -13.4135 -11.9462 -11.9461 -11.7381 -11.7380 -6.9048 -6.9048 -6.8968 -6.8967 -5.3682 -5.3682 -2.9216 -2.9213 -2.8527 -2.8525 -1.8955 -1.8950 -1.7793 -1.7789 -1.0909 -1.0906 -0.9598 -0.9597 2.3105 2.3107 3.3436 3.3439 4.1484 4.1488 4.4173 4.4183 5.4443 5.4447 5.5448 5.5449 7.2840 7.2843 7.4810 7.4813 7.9912 7.9917 11.1249 11.1250 12.2664 12.2672 12.8476 12.8477 13.3687 13.3702 14.3999 14.4000 k = 0.4762 0.3299 0.2666 ( 3406 PWs) bands (ev): -20.7281 -20.7281 -20.7181 -20.7181 -20.3372 -20.3372 -13.4141 -13.4141 -11.9455 -11.9454 -11.7399 -11.7398 -6.9039 -6.9039 -6.8960 -6.8960 -5.3680 -5.3679 -2.9212 -2.9207 -2.8516 -2.8513 -1.9023 -1.9017 -1.7819 -1.7814 -1.0911 -1.0908 -0.9624 -0.9622 2.3247 2.3250 3.3477 3.3481 4.1446 4.1451 4.4207 4.4220 5.4406 5.4412 5.5397 5.5397 7.2812 7.2815 7.4870 7.4874 7.9940 7.9947 11.1277 11.1277 12.2655 12.2665 12.8459 12.8461 13.3587 13.3607 14.3921 14.3922 k = 0.4702 0.3402 0.2666 ( 3410 PWs) bands (ev): -20.7277 -20.7276 -20.7178 -20.7178 -20.3373 -20.3372 -13.4149 -13.4148 -11.9446 -11.9445 -11.7422 -11.7421 -6.9028 -6.9028 -6.8951 -6.8950 -5.3677 -5.3676 -2.9206 -2.9200 -2.8503 -2.8499 -1.9108 -1.9101 -1.7852 -1.7846 -1.0914 -1.0910 -0.9656 -0.9654 2.3428 2.3431 3.3527 3.3533 4.1398 4.1404 4.4254 4.4270 5.4359 5.4367 5.5330 5.5331 7.2778 7.2782 7.4947 7.4952 7.9975 7.9983 11.1311 11.1311 12.2644 12.2656 12.8434 12.8438 13.3467 13.3491 14.3813 14.3813 k = 0.4643 0.3505 0.2666 ( 3410 PWs) bands (ev): -20.7271 -20.7271 -20.7174 -20.7174 -20.3374 -20.3374 -13.4158 -13.4158 -11.9435 -11.9434 -11.7450 -11.7449 -6.9016 -6.9016 -6.8939 -6.8938 -5.3673 -5.3672 -2.9198 -2.9191 -2.8487 -2.8482 -1.9210 -1.9202 -1.7891 -1.7884 -1.0917 -1.0913 -0.9694 -0.9692 2.3645 2.3649 3.3584 3.3591 4.1340 4.1348 4.4314 4.4333 5.4302 5.4311 5.5251 5.5252 7.2739 7.2743 7.5040 7.5046 8.0014 8.0023 11.1351 11.1351 12.2633 12.2647 12.8401 12.8407 13.3331 13.3361 14.3671 14.3671 k = 0.4583 0.3608 0.2666 ( 3410 PWs) bands (ev): -20.7265 -20.7264 -20.7170 -20.7170 -20.3376 -20.3375 -13.4169 -13.4168 -11.9423 -11.9421 -11.7482 -11.7481 -6.9001 -6.9001 -6.8925 -6.8924 -5.3669 -5.3668 -2.9189 -2.9181 -2.8469 -2.8464 -1.9327 -1.9317 -1.7935 -1.7927 -1.0921 -1.0916 -0.9739 -0.9736 2.3899 2.3903 3.3646 3.3654 4.1273 4.1281 4.4389 4.4411 5.4235 5.4246 5.5158 5.5159 7.2697 7.2701 7.5148 7.5156 8.0055 8.0066 11.1395 11.1395 12.2623 12.2639 12.8358 12.8365 13.3187 13.3221 14.3491 14.3491 k = 0.4524 0.3712 0.2666 ( 3418 PWs) bands (ev): -20.7257 -20.7257 -20.7165 -20.7165 -20.3377 -20.3377 -13.4181 -13.4181 -11.9408 -11.9406 -11.7519 -11.7518 -6.8984 -6.8984 -6.8910 -6.8909 -5.3665 -5.3663 -2.9179 -2.9170 -2.8449 -2.8443 -1.9457 -1.9446 -1.7984 -1.7975 -1.0925 -1.0920 -0.9789 -0.9786 2.4185 2.4191 3.3710 3.3719 4.1196 4.1205 4.4480 4.4506 5.4158 5.4170 5.5052 5.5053 7.2652 7.2657 7.5272 7.5281 8.0096 8.0108 11.1443 11.1443 12.2616 12.2633 12.8300 12.8310 13.3041 13.3080 14.3270 14.3271 k = 0.4464 0.3815 0.2666 ( 3418 PWs) bands (ev): -20.7249 -20.7249 -20.7160 -20.7160 -20.3379 -20.3378 -13.4195 -13.4194 -11.9391 -11.9389 -11.7560 -11.7559 -6.8966 -6.8966 -6.8893 -6.8892 -5.3659 -5.3658 -2.9168 -2.9158 -2.8428 -2.8422 -1.9598 -1.9587 -1.8037 -1.8027 -1.0929 -1.0924 -0.9844 -0.9840 2.4504 2.4509 3.3773 3.3783 4.1110 4.1121 4.4591 4.4619 5.4071 5.4085 5.4934 5.4935 7.2606 7.2612 7.5410 7.5419 8.0135 8.0148 11.1494 11.1494 12.2613 12.2630 12.8228 12.8240 13.2900 13.2944 14.3008 14.3011 k = 0.4405 0.3918 0.2666 ( 3418 PWs) bands (ev): -20.7241 -20.7240 -20.7155 -20.7154 -20.3381 -20.3380 -13.4209 -13.4209 -11.9372 -11.9370 -11.7606 -11.7604 -6.8946 -6.8946 -6.8874 -6.8873 -5.3654 -5.3653 -2.9156 -2.9144 -2.8406 -2.8399 -1.9749 -1.9737 -1.8094 -1.8083 -1.0933 -1.0928 -0.9904 -0.9899 2.4851 2.4857 3.3833 3.3843 4.1017 4.1028 4.4721 4.4752 5.3975 5.3990 5.4805 5.4806 7.2561 7.2567 7.5561 7.5571 8.0170 8.0184 11.1545 11.1546 12.2615 12.2632 12.8137 12.8153 13.2772 13.2821 14.2707 14.2710 k = 0.4345 0.4021 0.2666 ( 3422 PWs) bands (ev): -20.7231 -20.7231 -20.7149 -20.7148 -20.3383 -20.3382 -13.4225 -13.4224 -11.9351 -11.9349 -11.7654 -11.7653 -6.8925 -6.8925 -6.8854 -6.8852 -5.3648 -5.3647 -2.9142 -2.9130 -2.8385 -2.8377 -1.9908 -1.9895 -1.8153 -1.8141 -1.0937 -1.0933 -0.9968 -0.9962 2.5224 2.5231 3.3885 3.3895 4.0915 4.0927 4.4874 4.4908 5.3869 5.3885 5.4666 5.4667 7.2518 7.2523 7.5724 7.5736 8.0199 8.0213 11.1596 11.1597 12.2623 12.2640 12.8025 12.8045 13.2663 13.2716 14.2369 14.2373 k = 0.4286 0.4124 0.2666 ( 3410 PWs) bands (ev): -20.7221 -20.7221 -20.7142 -20.7142 -20.3385 -20.3384 -13.4241 -13.4241 -11.9328 -11.9326 -11.7706 -11.7705 -6.8903 -6.8903 -6.8832 -6.8831 -5.3642 -5.3641 -2.9127 -2.9114 -2.8364 -2.8356 -2.0071 -2.0058 -1.8213 -1.8201 -1.0942 -1.0937 -1.0034 -1.0028 2.5621 2.5628 3.3927 3.3938 4.0808 4.0820 4.5051 4.5087 5.3754 5.3771 5.4517 5.4518 7.2478 7.2483 7.5899 7.5911 8.0219 8.0234 11.1645 11.1647 12.2639 12.2656 12.7892 12.7915 13.2579 13.2636 14.1998 14.2004 k = 0.4226 0.4227 0.2666 ( 3414 PWs) bands (ev): -20.7211 -20.7210 -20.7136 -20.7135 -20.3387 -20.3386 -13.4259 -13.4258 -11.9303 -11.9301 -11.7761 -11.7760 -6.8881 -6.8881 -6.8810 -6.8808 -5.3636 -5.3635 -2.9112 -2.9098 -2.8345 -2.8336 -2.0238 -2.0225 -1.8274 -1.8262 -1.0946 -1.0942 -1.0104 -1.0096 2.6038 2.6046 3.3956 3.3967 4.0693 4.0707 4.5252 4.5290 5.3629 5.3648 5.4360 5.4361 7.2442 7.2447 7.6083 7.6096 8.0230 8.0245 11.1691 11.1694 12.2665 12.2680 12.7737 12.7762 13.2525 13.2585 14.1598 14.1606 k = 0.4167 0.4330 0.2666 ( 3414 PWs) bands (ev): -20.7200 -20.7200 -20.7129 -20.7129 -20.3390 -20.3389 -13.4276 -13.4276 -11.9276 -11.9274 -11.7819 -11.7817 -6.8857 -6.8857 -6.8787 -6.8785 -5.3630 -5.3629 -2.9095 -2.9080 -2.8328 -2.8318 -2.0405 -2.0392 -1.8335 -1.8322 -1.0950 -1.0946 -1.0175 -1.0167 2.6472 2.6480 3.3971 3.3982 4.0574 4.0588 4.5479 4.5518 5.3496 5.3515 5.4194 5.4195 7.2410 7.2415 7.6276 7.6290 8.0229 8.0245 11.1733 11.1737 12.2701 12.2714 12.7560 12.7588 13.2503 13.2566 14.1175 14.1185 k = 0.4107 0.4433 0.2666 ( 3410 PWs) bands (ev): -20.7189 -20.7189 -20.7123 -20.7122 -20.3392 -20.3391 -13.4294 -13.4294 -11.9247 -11.9245 -11.7879 -11.7877 -6.8834 -6.8834 -6.8763 -6.8761 -5.3624 -5.3622 -2.9076 -2.9061 -2.8314 -2.8304 -2.0571 -2.0557 -1.8395 -1.8382 -1.0954 -1.0950 -1.0247 -1.0237 2.6921 2.6929 3.3968 3.3979 4.0451 4.0465 4.5731 4.5773 5.3354 5.3374 5.4022 5.4023 7.2384 7.2388 7.6476 7.6491 8.0215 8.0232 11.1770 11.1775 12.2748 12.2760 12.7364 12.7394 13.2515 13.2580 14.0735 14.0746 k = 0.4048 0.4536 0.2666 ( 3410 PWs) bands (ev): -20.7178 -20.7178 -20.7116 -20.7115 -20.3394 -20.3393 -13.4313 -13.4312 -11.9216 -11.9213 -11.7941 -11.7939 -6.8810 -6.8810 -6.8739 -6.8736 -5.3618 -5.3616 -2.9057 -2.9041 -2.8303 -2.8293 -2.0732 -2.0719 -1.8454 -1.8440 -1.0957 -1.0954 -1.0319 -1.0308 2.7380 2.7389 3.3947 3.3957 4.0325 4.0339 4.6009 4.6052 5.3203 5.3224 5.3844 5.3845 7.2364 7.2368 7.6683 7.6698 8.0188 8.0205 11.1802 11.1807 12.2807 12.2816 12.7151 12.7183 13.2561 13.2628 14.0281 14.0294 k = 0.3988 0.4639 0.2666 ( 3414 PWs) bands (ev): -20.7168 -20.7167 -20.7110 -20.7109 -20.3397 -20.3396 -13.4331 -13.4330 -11.9183 -11.9180 -11.8005 -11.8002 -6.8787 -6.8787 -6.8715 -6.8712 -5.3612 -5.3611 -2.9036 -2.9020 -2.8298 -2.8287 -2.0888 -2.0875 -1.8510 -1.8497 -1.0960 -1.0958 -1.0390 -1.0379 2.7846 2.7855 3.3905 3.3916 4.0197 4.0211 4.6312 4.6356 5.3044 5.3066 5.3661 5.3661 7.2350 7.2354 7.6893 7.6909 8.0147 8.0164 11.1826 11.1833 12.2879 12.2885 12.6925 12.6958 13.2641 13.2708 13.9819 13.9834 k = 0.3929 0.4743 0.2666 ( 3414 PWs) bands (ev): -20.7157 -20.7156 -20.7103 -20.7102 -20.3399 -20.3398 -13.4349 -13.4348 -11.9148 -11.9145 -11.8069 -11.8067 -6.8764 -6.8764 -6.8691 -6.8689 -5.3607 -5.3605 -2.9014 -2.8998 -2.8298 -2.8287 -2.1035 -2.1023 -1.8563 -1.8550 -1.0963 -1.0961 -1.0461 -1.0447 2.8316 2.8325 3.3844 3.3854 4.0068 4.0082 4.6639 4.6684 5.2877 5.2900 5.3474 5.3474 7.2343 7.2346 7.7105 7.7122 8.0091 8.0108 11.1845 11.1852 12.2963 12.2967 12.6688 12.6722 13.2752 13.2820 13.9353 13.9370 k = 0.3869 0.4846 0.2666 ( 3402 PWs) bands (ev): -20.7146 -20.7146 -20.7097 -20.7096 -20.3401 -20.3400 -13.4366 -13.4365 -11.9111 -11.9108 -11.8135 -11.8132 -6.8741 -6.8741 -6.8668 -6.8666 -5.3601 -5.3600 -2.8990 -2.8973 -2.8303 -2.8292 -2.1172 -2.1160 -1.8612 -1.8600 -1.0965 -1.0964 -1.0528 -1.0514 2.8784 2.8794 3.3762 3.3771 3.9942 3.9955 4.6986 4.7032 5.2704 5.2727 5.3284 5.3284 7.2342 7.2345 7.7319 7.7336 8.0021 8.0038 11.1857 11.1865 12.3061 12.3061 12.6445 12.6479 13.2894 13.2961 13.8887 13.8906 k = 0.3810 0.4949 0.2666 ( 3402 PWs) bands (ev): -20.7136 -20.7136 -20.7091 -20.7090 -20.3403 -20.3402 -13.4382 -13.4382 -11.9072 -11.9069 -11.8200 -11.8198 -6.8720 -6.8720 -6.8646 -6.8644 -5.3596 -5.3595 -2.8964 -2.8947 -2.8316 -2.8305 -2.1297 -2.1286 -1.8657 -1.8646 -1.0967 -1.0966 -1.0593 -1.0576 2.9248 2.9257 3.3661 3.3668 3.9818 3.9831 4.7353 4.7399 5.2523 5.2547 5.3091 5.3091 7.2347 7.2349 7.7531 7.7548 7.9936 7.9953 11.1863 11.1871 12.3167 12.3170 12.6198 12.6233 13.3064 13.3129 13.8425 13.8446 k = 0.3750 0.5052 0.2666 ( 3414 PWs) bands (ev): -20.7127 -20.7126 -20.7086 -20.7085 -20.3405 -20.3405 -13.4398 -13.4397 -11.9032 -11.9028 -11.8266 -11.8263 -6.8700 -6.8700 -6.8626 -6.8624 -5.3592 -5.3591 -2.8936 -2.8919 -2.8335 -2.8324 -2.1409 -2.1399 -1.8698 -1.8687 -1.0968 -1.0968 -1.0654 -1.0635 2.9703 2.9712 3.3539 3.3546 3.9699 3.9712 4.7734 4.7780 5.2337 5.2362 5.2896 5.2897 7.2357 7.2359 7.7740 7.7757 7.9839 7.9856 11.1863 11.1871 12.3285 12.3292 12.5951 12.5986 13.3260 13.3324 13.7970 13.7993 k = 0.3690 0.5155 0.2666 ( 3418 PWs) bands (ev): -20.7118 -20.7118 -20.7082 -20.7081 -20.3407 -20.3407 -13.4412 -13.4411 -11.8989 -11.8986 -11.8331 -11.8328 -6.8681 -6.8681 -6.8608 -6.8605 -5.3588 -5.3587 -2.8906 -2.8889 -2.8361 -2.8350 -2.1507 -2.1498 -1.8734 -1.8724 -1.0969 -1.0968 -1.0710 -1.0689 3.0144 3.0152 3.3399 3.3405 3.9588 3.9600 4.8126 4.8172 5.2148 5.2173 5.2702 5.2703 7.2372 7.2374 7.7944 7.7962 7.9729 7.9746 11.1859 11.1866 12.3415 12.3425 12.5707 12.5741 13.3480 13.3542 13.7524 13.7550 k = 0.3631 0.5258 0.2666 ( 3418 PWs) bands (ev): -20.7110 -20.7110 -20.7078 -20.7076 -20.3409 -20.3408 -13.4425 -13.4424 -11.8946 -11.8942 -11.8395 -11.8392 -6.8665 -6.8665 -6.8591 -6.8589 -5.3584 -5.3583 -2.8873 -2.8856 -2.8393 -2.8383 -2.1589 -2.1581 -1.8764 -1.8756 -1.0969 -1.0968 -1.0761 -1.0736 3.0565 3.0573 3.3242 3.3247 3.9487 3.9497 4.8523 4.8569 5.1959 5.1983 5.2507 5.2509 7.2391 7.2392 7.8141 7.8159 7.9609 7.9626 11.1851 11.1858 12.3555 12.3569 12.5467 12.5500 13.3722 13.3782 13.7091 13.7120 k = 0.3571 0.5361 0.2666 ( 3410 PWs) bands (ev): -20.7104 -20.7103 -20.7074 -20.7073 -20.3410 -20.3410 -13.4436 -13.4435 -11.8901 -11.8896 -11.8457 -11.8454 -6.8650 -6.8650 -6.8577 -6.8574 -5.3581 -5.3580 -2.8838 -2.8821 -2.8432 -2.8421 -2.1655 -2.1649 -1.8790 -1.8782 -1.0970 -1.0968 -1.0804 -1.0776 3.0964 3.0970 3.3068 3.3072 3.9399 3.9408 4.8916 4.8961 5.1775 5.1798 5.2315 5.2317 7.2411 7.2412 7.8329 7.8347 7.9482 7.9499 11.1841 11.1847 12.3706 12.3723 12.5233 12.5266 13.3984 13.4041 13.6674 13.6705 k = 0.3512 0.5464 0.2666 ( 3418 PWs) bands (ev): -20.7098 -20.7098 -20.7071 -20.7070 -20.3411 -20.3411 -13.4444 -13.4444 -11.8855 -11.8850 -11.8517 -11.8514 -6.8638 -6.8638 -6.8566 -6.8563 -5.3579 -5.3579 -2.8799 -2.8782 -2.8475 -2.8465 -2.1706 -2.1701 -1.8809 -1.8803 -1.0970 -1.0968 -1.0840 -1.0808 3.1333 3.1338 3.2880 3.2882 3.9326 3.9333 4.9292 4.9333 5.1609 5.1629 5.2124 5.2128 7.2432 7.2433 7.8506 7.8524 7.9348 7.9366 11.1831 11.1836 12.3865 12.3885 12.5007 12.5039 13.4264 13.4319 13.6273 13.6307 k = 0.3452 0.5567 0.2666 ( 3426 PWs) bands (ev): -20.7094 -20.7094 -20.7069 -20.7068 -20.3412 -20.3412 -13.4451 -13.4451 -11.8809 -11.8803 -11.8573 -11.8571 -6.8629 -6.8629 -6.8558 -6.8555 -5.3578 -5.3577 -2.8759 -2.8741 -2.8521 -2.8513 -2.1741 -2.1738 -1.8823 -1.8819 -1.0971 -1.0968 -1.0866 -1.0830 3.1667 3.1671 3.2678 3.2679 3.9272 3.9277 4.9624 4.9657 5.1485 5.1498 5.1938 5.1941 7.2450 7.2451 7.8670 7.8688 7.9213 7.9231 11.1822 11.1825 12.4033 12.4057 12.4791 12.4822 13.4559 13.4611 13.5893 13.5928 k = 0.3393 0.5670 0.2666 ( 3426 PWs) bands (ev): -20.7091 -20.7091 -20.7068 -20.7067 -20.3413 -20.3413 -13.4455 -13.4455 -11.8766 -11.8760 -11.8622 -11.8620 -6.8624 -6.8624 -6.8553 -6.8550 -5.3576 -5.3576 -2.8719 -2.8699 -2.8564 -2.8560 -2.1761 -2.1760 -1.8831 -1.8829 -1.0972 -1.0969 -1.0881 -1.0843 3.1960 3.1962 3.2468 3.2468 3.9239 3.9241 4.9864 4.9883 5.1446 5.1450 5.1759 5.1762 7.2464 7.2464 7.8819 7.8836 7.9079 7.9098 11.1815 11.1817 12.4208 12.4235 12.4587 12.4616 13.4866 13.4918 13.5535 13.5571 k = 0.3333 0.5774 0.2666 ( 3426 PWs) bands (ev): -20.7091 -20.7091 -20.7067 -20.7066 -20.3413 -20.3413 -13.4457 -13.4457 -11.8744 -11.8736 -11.8646 -11.8646 -6.8622 -6.8622 -6.8551 -6.8548 -5.3576 -5.3576 -2.8698 -2.8674 -2.8587 -2.8587 -2.1767 -2.1767 -1.8833 -1.8833 -1.0971 -1.0971 -1.0886 -1.0848 3.2152 3.2152 3.2304 3.2305 3.9228 3.9228 4.9956 4.9956 5.1485 5.1510 5.1633 5.1633 7.2469 7.2469 7.8948 7.8955 7.8955 7.8984 11.1813 11.1813 12.4372 12.4413 12.4413 12.4430 13.5133 13.5219 13.5253 13.5253 k = 0.3333 0.5774 0.2666 ( 3426 PWs) bands (ev): -20.7091 -20.7091 -20.7067 -20.7066 -20.3413 -20.3413 -13.4457 -13.4457 -11.8744 -11.8736 -11.8646 -11.8646 -6.8622 -6.8622 -6.8551 -6.8548 -5.3576 -5.3576 -2.8698 -2.8674 -2.8587 -2.8587 -2.1767 -2.1767 -1.8833 -1.8833 -1.0971 -1.0971 -1.0886 -1.0848 3.2152 3.2152 3.2304 3.2305 3.9228 3.9228 4.9956 4.9956 5.1485 5.1510 5.1633 5.1633 7.2469 7.2469 7.8948 7.8955 7.8955 7.8984 11.1813 11.1813 12.4372 12.4413 12.4413 12.4430 13.5133 13.5219 13.5253 13.5253 k = 0.3273 0.5669 0.2666 ( 3426 PWs) bands (ev): -20.7092 -20.7091 -20.7068 -20.7067 -20.3413 -20.3413 -13.4455 -13.4455 -11.8766 -11.8760 -11.8622 -11.8620 -6.8624 -6.8624 -6.8553 -6.8550 -5.3576 -5.3576 -2.8722 -2.8702 -2.8560 -2.8557 -2.1761 -2.1760 -1.8831 -1.8828 -1.0972 -1.0968 -1.0882 -1.0844 3.1972 3.1974 3.2453 3.2455 3.9239 3.9242 4.9877 4.9892 5.1369 5.1383 5.1807 5.1833 7.2462 7.2462 7.8831 7.8849 7.9068 7.9086 11.1816 11.1818 12.4208 12.4237 12.4586 12.4617 13.4868 13.4919 13.5535 13.5569 k = 0.3212 0.5564 0.2666 ( 3424 PWs) bands (ev): -20.7094 -20.7094 -20.7070 -20.7068 -20.3412 -20.3412 -13.4450 -13.4450 -11.8807 -11.8801 -11.8575 -11.8572 -6.8631 -6.8631 -6.8558 -6.8556 -5.3578 -5.3577 -2.8768 -2.8751 -2.8504 -2.8499 -2.1743 -2.1740 -1.8823 -1.8818 -1.0967 -1.0959 -1.0871 -1.0834 3.1726 3.1729 3.2612 3.2616 3.9274 3.9280 4.9700 4.9724 5.1203 5.1215 5.2125 5.2162 7.2440 7.2440 7.8727 7.8745 7.9163 7.9181 11.1826 11.1831 12.4039 12.4066 12.4784 12.4818 13.4579 13.4629 13.5875 13.5908 k = 0.3152 0.5459 0.2666 ( 3424 PWs) bands (ev): -20.7099 -20.7098 -20.7073 -20.7071 -20.3411 -20.3411 -13.4442 -13.4442 -11.8848 -11.8842 -11.8521 -11.8518 -6.8642 -6.8642 -6.8568 -6.8565 -5.3580 -5.3579 -2.8816 -2.8802 -2.8435 -2.8430 -2.1714 -2.1709 -1.8808 -1.8801 -1.0956 -1.0944 -1.0855 -1.0818 3.1468 3.1472 3.2726 3.2733 3.9332 3.9340 4.9469 4.9498 5.1037 5.1049 5.2486 5.2528 7.2398 7.2399 7.8643 7.8661 7.9236 7.9254 11.1847 11.1854 12.3885 12.3911 12.4989 12.5025 13.4315 13.4367 13.6221 13.6251 k = 0.3091 0.5354 0.2666 ( 3418 PWs) bands (ev): -20.7105 -20.7104 -20.7077 -20.7076 -20.3410 -20.3409 -13.4430 -13.4429 -11.8886 -11.8881 -11.8466 -11.8462 -6.8659 -6.8659 -6.8582 -6.8579 -5.3583 -5.3581 -2.8862 -2.8849 -2.8358 -2.8354 -2.1675 -2.1668 -1.8788 -1.8778 -1.0937 -1.0922 -1.0834 -1.0797 3.1203 3.1208 3.2796 3.2804 3.9408 3.9419 4.9205 4.9237 5.0877 5.0889 5.2860 5.2905 7.2334 7.2334 7.8583 7.8602 7.9286 7.9303 11.1878 11.1888 12.3746 12.3771 12.5199 12.5237 13.4080 13.4134 13.6570 13.6595 k = 0.3030 0.5249 0.2666 ( 3410 PWs) bands (ev): -20.7113 -20.7112 -20.7084 -20.7082 -20.3408 -20.3407 -13.4414 -13.4413 -11.8921 -11.8916 -11.8409 -11.8404 -6.8682 -6.8682 -6.8600 -6.8598 -5.3586 -5.3585 -2.8903 -2.8890 -2.8273 -2.8269 -2.1627 -2.1618 -1.8761 -1.8749 -1.0911 -1.0893 -1.0809 -1.0771 3.0932 3.0937 3.2822 3.2832 3.9500 3.9512 4.8919 4.8953 5.0722 5.0735 5.3232 5.3279 7.2244 7.2245 7.8551 7.8570 7.9312 7.9328 11.1923 11.1935 12.3624 12.3647 12.5414 12.5455 13.3875 13.3930 13.6916 13.6938 k = 0.2970 0.5144 0.2666 ( 3410 PWs) bands (ev): -20.7123 -20.7122 -20.7092 -20.7090 -20.3405 -20.3404 -13.4394 -13.4393 -11.8951 -11.8946 -11.8350 -11.8346 -6.8710 -6.8709 -6.8623 -6.8620 -5.3591 -5.3589 -2.8937 -2.8924 -2.8180 -2.8177 -2.1572 -2.1562 -1.8728 -1.8713 -1.0878 -1.0856 -1.0778 -1.0740 3.0656 3.0663 3.2810 3.2822 3.9600 3.9614 4.8616 4.8651 5.0574 5.0586 5.3594 5.3641 7.2128 7.2129 7.8549 7.8569 7.9312 7.9328 11.1981 11.1996 12.3517 12.3539 12.5634 12.5677 13.3702 13.3758 13.7259 13.7276 k = 0.2909 0.5039 0.2666 ( 3414 PWs) bands (ev): -20.7134 -20.7133 -20.7102 -20.7101 -20.3403 -20.3401 -13.4369 -13.4369 -11.8977 -11.8972 -11.8292 -11.8287 -6.8743 -6.8743 -6.8650 -6.8648 -5.3597 -5.3595 -2.8962 -2.8949 -2.8079 -2.8078 -2.1512 -2.1500 -1.8688 -1.8670 -1.0839 -1.0813 -1.0740 -1.0703 3.0377 3.0384 3.2764 3.2777 3.9704 3.9719 4.8299 4.8336 5.0432 5.0444 5.3939 5.3987 7.1985 7.1987 7.8579 7.8599 7.9287 7.9303 11.2054 11.2071 12.3428 12.3447 12.5859 12.5903 13.3561 13.3618 13.7594 13.7607 k = 0.2848 0.4934 0.2666 ( 3414 PWs) bands (ev): -20.7147 -20.7146 -20.7114 -20.7113 -20.3399 -20.3398 -13.4341 -13.4340 -11.8997 -11.8992 -11.8232 -11.8227 -6.8783 -6.8783 -6.8683 -6.8680 -5.3604 -5.3602 -2.8976 -2.8964 -2.7969 -2.7969 -2.1447 -2.1433 -1.8641 -1.8621 -1.0795 -1.0766 -1.0696 -1.0658 3.0096 3.0103 3.2688 3.2703 3.9806 3.9823 4.7971 4.8008 5.0296 5.0308 5.4264 5.4312 7.1817 7.1819 7.8640 7.8660 7.9237 7.9252 11.2142 11.2162 12.3354 12.3373 12.6089 12.6133 13.3454 13.3512 13.7920 13.7928 k = 0.2788 0.4829 0.2666 ( 3414 PWs) bands (ev): -20.7162 -20.7161 -20.7128 -20.7126 -20.3396 -20.3394 -13.4307 -13.4306 -11.9012 -11.9007 -11.8172 -11.8168 -6.8828 -6.8828 -6.8720 -6.8718 -5.3613 -5.3610 -2.8979 -2.8967 -2.7852 -2.7851 -2.1378 -2.1363 -1.8588 -1.8564 -1.0748 -1.0715 -1.0642 -1.0605 2.9813 2.9821 3.2587 3.2603 3.9902 3.9919 4.7631 4.7670 5.0166 5.0178 5.4565 5.4614 7.1626 7.1628 7.8730 7.8750 7.9161 7.9175 11.2246 11.2268 12.3297 12.3314 12.6322 12.6368 13.3383 13.3441 13.8233 13.8237 k = 0.2727 0.4724 0.2666 ( 3410 PWs) bands (ev): -20.7179 -20.7178 -20.7144 -20.7142 -20.3391 -20.3390 -13.4270 -13.4268 -11.9022 -11.9017 -11.8112 -11.8107 -6.8879 -6.8878 -6.8762 -6.8760 -5.3622 -5.3619 -2.8970 -2.8958 -2.7727 -2.7724 -2.1307 -2.1290 -1.8528 -1.8501 -1.0700 -1.0664 -1.0578 -1.0541 2.9529 2.9539 3.2465 3.2482 3.9988 4.0005 4.7282 4.7321 5.0042 5.0053 5.4840 5.4889 7.1414 7.1416 7.8848 7.8867 7.9061 7.9075 11.2365 11.2389 12.3256 12.3271 12.6560 12.6606 13.3349 13.3406 13.8530 13.8530 k = 0.2667 0.4619 0.2666 ( 3414 PWs) bands (ev): -20.7197 -20.7196 -20.7162 -20.7160 -20.3387 -20.3385 -13.4227 -13.4226 -11.9026 -11.9021 -11.8053 -11.8047 -6.8935 -6.8935 -6.8810 -6.8808 -5.3634 -5.3630 -2.8947 -2.8935 -2.7592 -2.7588 -2.1235 -2.1216 -1.8461 -1.8431 -1.0651 -1.0611 -1.0505 -1.0468 2.9246 2.9256 3.2325 3.2343 4.0059 4.0076 4.6923 4.6963 4.9923 4.9933 5.5087 5.5136 7.1186 7.1189 7.8936 7.8947 7.8989 7.9011 11.2500 11.2526 12.3230 12.3244 12.6800 12.6847 13.3353 13.3410 13.8807 13.8811 k = 0.2606 0.4514 0.2666 ( 3406 PWs) bands (ev): -20.7218 -20.7216 -20.7182 -20.7180 -20.3382 -20.3380 -13.4180 -13.4179 -11.9024 -11.9019 -11.7993 -11.7987 -6.8997 -6.8996 -6.8863 -6.8861 -5.3646 -5.3642 -2.8910 -2.8898 -2.7448 -2.7442 -2.1161 -2.1142 -1.8387 -1.8354 -1.0599 -1.0557 -1.0424 -1.0386 2.8965 2.8975 3.2171 3.2189 4.0113 4.0131 4.6555 4.6596 4.9809 4.9818 5.5304 5.5352 7.0945 7.0948 7.8790 7.8802 7.9151 7.9171 11.2650 11.2678 12.3219 12.3231 12.7044 12.7091 13.3398 13.3453 13.9066 13.9073 k = 0.2545 0.4409 0.2666 ( 3412 PWs) bands (ev): -20.7239 -20.7238 -20.7204 -20.7202 -20.3376 -20.3374 -13.4129 -13.4127 -11.9017 -11.9012 -11.7933 -11.7927 -6.9064 -6.9063 -6.8921 -6.8919 -5.3660 -5.3656 -2.8859 -2.8847 -2.7295 -2.7287 -2.1089 -2.1067 -1.8305 -1.8270 -1.0546 -1.0502 -1.0335 -1.0296 2.8685 2.8695 3.2004 3.2022 4.0149 4.0166 4.6179 4.6220 4.9698 4.9706 5.5488 5.5537 7.0696 7.0699 7.8622 7.8634 7.9330 7.9350 11.2814 11.2843 12.3221 12.3232 12.7290 12.7337 13.3483 13.3537 13.9304 13.9315 k = 0.2485 0.4304 0.2666 ( 3416 PWs) bands (ev): -20.7263 -20.7262 -20.7228 -20.7226 -20.3371 -20.3368 -13.4072 -13.4070 -11.9003 -11.8998 -11.7874 -11.7868 -6.9136 -6.9135 -6.8985 -6.8982 -5.3677 -5.3672 -2.8792 -2.8780 -2.7132 -2.7123 -2.1016 -2.0994 -1.8216 -1.8178 -1.0490 -1.0444 -1.0239 -1.0199 2.8407 2.8418 3.1826 3.1845 4.0164 4.0181 4.5795 4.5836 4.9592 4.9598 5.5640 5.5688 7.0442 7.0446 7.8434 7.8446 7.9523 7.9542 11.2992 11.3022 12.3236 12.3246 12.7538 12.7585 13.3611 13.3663 13.9523 13.9536 k = 0.2424 0.4199 0.2666 ( 3412 PWs) bands (ev): -20.7288 -20.7287 -20.7253 -20.7251 -20.3365 -20.3362 -13.4011 -13.4009 -11.8984 -11.8979 -11.7815 -11.7809 -6.9213 -6.9211 -6.9053 -6.9051 -5.3695 -5.3690 -2.8710 -2.8698 -2.6959 -2.6948 -2.0946 -2.0922 -1.8120 -1.8079 -1.0432 -1.0385 -1.0139 -1.0097 2.8133 2.8144 3.1640 3.1659 4.0159 4.0175 4.5404 4.5445 4.9488 4.9493 5.5758 5.5806 7.0187 7.0191 7.8228 7.8240 7.9725 7.9744 11.3182 11.3213 12.3263 12.3271 12.7788 12.7835 13.3782 13.3832 13.9723 13.9737 k = 0.2364 0.4094 0.2666 ( 3412 PWs) bands (ev): -20.7315 -20.7313 -20.7281 -20.7279 -20.3358 -20.3356 -13.3946 -13.3943 -11.8959 -11.8954 -11.7756 -11.7751 -6.9294 -6.9293 -6.9127 -6.9125 -5.3714 -5.3710 -2.8612 -2.8600 -2.6777 -2.6764 -2.0877 -2.0851 -1.8017 -1.7972 -1.0372 -1.0323 -1.0033 -0.9991 2.7862 2.7874 3.1446 3.1465 4.0132 4.0148 4.5005 4.5047 4.9387 4.9390 5.5841 5.5889 6.9935 6.9938 7.8007 7.8017 7.9935 7.9953 11.3384 11.3415 12.3301 12.3307 12.8041 12.8087 13.3996 13.4044 13.9903 13.9919 k = 0.2303 0.3989 0.2666 ( 3412 PWs) bands (ev): -20.7343 -20.7342 -20.7310 -20.7308 -20.3352 -20.3349 -13.3876 -13.3873 -11.8928 -11.8923 -11.7699 -11.7693 -6.9379 -6.9378 -6.9205 -6.9203 -5.3736 -5.3731 -2.8498 -2.8486 -2.6584 -2.6570 -2.0810 -2.0783 -1.7906 -1.7859 -1.0310 -1.0259 -0.9925 -0.9881 2.7596 2.7608 3.1245 3.1265 4.0083 4.0098 4.4600 4.4642 4.9287 4.9289 5.5890 5.5937 6.9687 6.9691 7.7771 7.7781 8.0148 8.0166 11.3596 11.3627 12.3347 12.3352 12.8295 12.8341 13.4253 13.4299 14.0067 14.0083 k = 0.2242 0.3884 0.2666 ( 3420 PWs) bands (ev): -20.7373 -20.7371 -20.7340 -20.7338 -20.3345 -20.3342 -13.3802 -13.3799 -11.8892 -11.8887 -11.7642 -11.7636 -6.9468 -6.9467 -6.9288 -6.9286 -5.3761 -5.3756 -2.8369 -2.8357 -2.6382 -2.6367 -2.0746 -2.0718 -1.7787 -1.7738 -1.0245 -1.0193 -0.9814 -0.9768 2.7334 2.7347 3.1038 3.1059 4.0013 4.0027 4.4189 4.4231 4.9190 4.9190 5.5904 5.5951 6.9448 6.9453 7.7523 7.7532 8.0363 8.0380 11.3817 11.3848 12.3401 12.3404 12.8552 12.8599 13.4553 13.4596 14.0217 14.0232 k = 0.2182 0.3779 0.2666 ( 3416 PWs) bands (ev): -20.7404 -20.7402 -20.7373 -20.7370 -20.3339 -20.3335 -13.3723 -13.3721 -11.8850 -11.8845 -11.7586 -11.7580 -6.9561 -6.9560 -6.9376 -6.9374 -5.3787 -5.3782 -2.8224 -2.8212 -2.6170 -2.6153 -2.0684 -2.0655 -1.7662 -1.7609 -1.0179 -1.0126 -0.9701 -0.9654 2.7077 2.7090 3.0826 3.0848 3.9922 3.9936 4.3773 4.3815 4.9093 4.9095 5.5884 5.5930 6.9220 6.9224 7.7264 7.7273 8.0576 8.0592 11.4046 11.4077 12.3461 12.3463 12.8813 12.8860 13.4894 13.4935 14.0355 14.0369 k = 0.2121 0.3674 0.2666 ( 3406 PWs) bands (ev): -20.7437 -20.7435 -20.7406 -20.7404 -20.3332 -20.3328 -13.3641 -13.3638 -11.8803 -11.8798 -11.7531 -11.7525 -6.9657 -6.9655 -6.9468 -6.9466 -5.3815 -5.3810 -2.8064 -2.8052 -2.5949 -2.5930 -2.0625 -2.0595 -1.7530 -1.7474 -1.0112 -1.0058 -0.9586 -0.9538 2.6826 2.6840 3.0609 3.0631 3.9811 3.9825 4.3351 4.3394 4.8998 4.9001 5.5830 5.5876 6.9005 6.9009 7.6997 7.7006 8.0784 8.0800 11.4283 11.4314 12.3527 12.3528 12.9077 12.9125 13.5274 13.5314 14.0485 14.0497 k = 0.2061 0.3569 0.2666 ( 3406 PWs) bands (ev): -20.7470 -20.7468 -20.7440 -20.7438 -20.3325 -20.3321 -13.3555 -13.3552 -11.8750 -11.8745 -11.7477 -11.7471 -6.9756 -6.9754 -6.9563 -6.9561 -5.3846 -5.3841 -2.7889 -2.7876 -2.5718 -2.5697 -2.0569 -2.0538 -1.7390 -1.7332 -1.0044 -0.9989 -0.9472 -0.9423 2.6581 2.6595 3.0387 3.0409 3.9680 3.9694 4.2925 4.2968 4.8904 4.8909 5.5744 5.5788 6.8804 6.8808 7.6723 7.6732 8.0986 8.1001 11.4526 11.4556 12.3596 12.3597 12.9346 12.9395 13.5692 13.5731 14.0609 14.0619 k = 0.2000 0.3464 0.2666 ( 3406 PWs) bands (ev): -20.7505 -20.7503 -20.7476 -20.7474 -20.3318 -20.3314 -13.3465 -13.3463 -11.8693 -11.8688 -11.7424 -11.7418 -6.9857 -6.9855 -6.9662 -6.9660 -5.3880 -5.3874 -2.7699 -2.7687 -2.5477 -2.5455 -2.0515 -2.0483 -1.7244 -1.7184 -0.9976 -0.9920 -0.9359 -0.9308 2.6342 2.6356 3.0160 3.0183 3.9532 3.9546 4.2496 4.2538 4.8814 4.8820 5.5626 5.5670 6.8620 6.8624 7.6444 7.6452 8.1180 8.1194 11.4776 11.4804 12.3669 12.3671 12.9620 12.9670 13.6145 13.6184 14.0730 14.0737 k = 0.1939 0.3359 0.2666 ( 3410 PWs) bands (ev): -20.7541 -20.7539 -20.7513 -20.7511 -20.3311 -20.3308 -13.3373 -13.3370 -11.8631 -11.8626 -11.7372 -11.7366 -6.9961 -6.9959 -6.9764 -6.9763 -5.3915 -5.3910 -2.7495 -2.7483 -2.5227 -2.5204 -2.0464 -2.0431 -1.7092 -1.7029 -0.9909 -0.9852 -0.9247 -0.9195 2.6110 2.6123 2.9927 2.9951 3.9367 3.9381 4.2063 4.2106 4.8726 4.8733 5.5478 5.5521 6.8453 6.8457 7.6162 7.6169 8.1363 8.1376 11.5031 11.5058 12.3745 12.3749 12.9898 12.9950 13.6633 13.6671 14.0851 14.0856 k = 0.1879 0.3254 0.2666 ( 3414 PWs) bands (ev): -20.7578 -20.7575 -20.7550 -20.7549 -20.3304 -20.3301 -13.3277 -13.3274 -11.8564 -11.8559 -11.7322 -11.7315 -7.0066 -7.0064 -6.9869 -6.9868 -5.3953 -5.3948 -2.7278 -2.7266 -2.4969 -2.4944 -2.0416 -2.0382 -1.6934 -1.6868 -0.9842 -0.9784 -0.9138 -0.9084 2.5883 2.5897 2.9689 2.9713 3.9186 3.9201 4.1628 4.1671 4.8641 4.8650 5.5302 5.5344 6.8305 6.8309 7.5877 7.5884 8.1533 8.1546 11.5291 11.5317 12.3824 12.3829 13.0181 13.0234 13.7151 13.7189 14.0973 14.0975 k = 0.1818 0.3149 0.2666 ( 3408 PWs) bands (ev): -20.7615 -20.7613 -20.7589 -20.7587 -20.3298 -20.3294 -13.3179 -13.3176 -11.8494 -11.8489 -11.7272 -11.7266 -7.0172 -7.0170 -6.9977 -6.9975 -5.3993 -5.3988 -2.7049 -2.7037 -2.4702 -2.4675 -2.0369 -2.0334 -1.6770 -1.6702 -0.9776 -0.9718 -0.9031 -0.8977 2.5664 2.5678 2.9446 2.9471 3.8993 3.9008 4.1192 4.1235 4.8561 4.8571 5.5100 5.5141 6.8176 6.8180 7.5592 7.5598 8.1690 8.1701 11.5557 11.5582 12.3906 12.3913 13.0467 13.0522 13.7699 13.7738 14.1096 14.1098 k = 0.1758 0.3044 0.2666 ( 3408 PWs) bands (ev): -20.7653 -20.7651 -20.7627 -20.7626 -20.3291 -20.3287 -13.3078 -13.3075 -11.8419 -11.8415 -11.7224 -11.7218 -7.0280 -7.0278 -7.0086 -7.0084 -5.4036 -5.4030 -2.6808 -2.6797 -2.4426 -2.4398 -2.0324 -2.0289 -1.6601 -1.6530 -0.9712 -0.9654 -0.8929 -0.8874 2.5451 2.5465 2.9196 2.9222 3.8789 3.8804 4.0756 4.0798 4.8484 4.8495 5.4873 5.4913 6.8067 6.8071 7.5307 7.5313 8.1831 8.1842 11.5829 11.5852 12.3992 12.4000 13.0756 13.0813 13.8273 13.8313 14.1221 14.1226 k = 0.1697 0.2939 0.2666 ( 3408 PWs) bands (ev): -20.7692 -20.7689 -20.7667 -20.7665 -20.3285 -20.3281 -13.2976 -13.2973 -11.8341 -11.8337 -11.7178 -11.7172 -7.0388 -7.0386 -7.0197 -7.0195 -5.4080 -5.4074 -2.6557 -2.6545 -2.4143 -2.4114 -2.0281 -2.0244 -1.6427 -1.6354 -0.9651 -0.9592 -0.8831 -0.8775 2.5246 2.5260 2.8940 2.8966 3.8575 3.8591 4.0320 4.0361 4.8413 4.8424 5.4625 5.4664 6.7978 6.7983 7.5023 7.5028 8.1956 8.1965 11.6107 11.6129 12.4083 12.4092 13.1045 13.1103 13.8872 13.8914 14.1348 14.1356 k = 0.1636 0.2834 0.2666 ( 3404 PWs) bands (ev): -20.7731 -20.7728 -20.7706 -20.7705 -20.3279 -20.3275 -13.2872 -13.2869 -11.8261 -11.8256 -11.7133 -11.7126 -7.0496 -7.0494 -7.0309 -7.0307 -5.4126 -5.4120 -2.6296 -2.6285 -2.3853 -2.3823 -2.0238 -2.0201 -1.6249 -1.6173 -0.9593 -0.9533 -0.8739 -0.8682 2.5047 2.5061 2.8678 2.8704 3.8354 3.8371 3.9885 3.9926 4.8346 4.8358 5.4357 5.4395 6.7910 6.7914 7.4741 7.4746 8.2062 8.2071 11.6392 11.6412 12.4178 12.4189 13.1333 13.1392 13.9493 13.9537 14.1477 14.1488 k = 0.1576 0.2729 0.2666 ( 3408 PWs) bands (ev): -20.7770 -20.7767 -20.7746 -20.7745 -20.3273 -20.3269 -13.2767 -13.2763 -11.8177 -11.8173 -11.7089 -11.7083 -7.0605 -7.0603 -7.0422 -7.0420 -5.4174 -5.4168 -2.6027 -2.6017 -2.3557 -2.3525 -2.0196 -2.0157 -1.6066 -1.5988 -0.9538 -0.9479 -0.8654 -0.8595 2.4855 2.4869 2.8408 2.8435 3.8129 3.8146 3.9452 3.9493 4.8285 4.8297 5.4072 5.4108 6.7862 6.7866 7.4462 7.4466 8.2150 8.2157 11.6684 11.6703 12.4281 12.4292 13.1616 13.1676 14.0133 14.0179 14.1606 14.1620 k = 0.1515 0.2624 0.2666 ( 3406 PWs) bands (ev): -20.7810 -20.7806 -20.7785 -20.7785 -20.3267 -20.3263 -13.2661 -13.2657 -11.8091 -11.8087 -11.7047 -11.7041 -7.0712 -7.0710 -7.0535 -7.0533 -5.4223 -5.4217 -2.5752 -2.5742 -2.3255 -2.3221 -2.0153 -2.0113 -1.5880 -1.5800 -0.9488 -0.9428 -0.8575 -0.8515 2.4670 2.4684 2.8131 2.8159 3.7902 3.7919 3.9023 3.9064 4.8230 4.8242 5.3773 5.3808 6.7833 6.7838 7.4187 7.4191 8.2219 8.2225 11.6984 11.7001 12.4390 12.4403 13.1892 13.1952 14.0788 14.0837 14.1735 14.1752 k = 0.1455 0.2519 0.2666 ( 3402 PWs) bands (ev): -20.7849 -20.7845 -20.7825 -20.7824 -20.3261 -20.3258 -13.2554 -13.2551 -11.8004 -11.7999 -11.7006 -11.7000 -7.0819 -7.0817 -7.0648 -7.0646 -5.4273 -5.4268 -2.5471 -2.5461 -2.2948 -2.2913 -2.0108 -2.0068 -1.5690 -1.5608 -0.9443 -0.9382 -0.8504 -0.8443 2.4492 2.4505 2.7847 2.7875 3.7675 3.7693 3.8598 3.8639 4.8180 4.8192 5.3462 5.3496 6.7824 6.7829 7.3916 7.3919 8.2268 8.2272 11.7293 11.7309 12.4508 12.4523 13.2157 13.2217 14.1453 14.1506 14.1864 14.1881 k = 0.1394 0.2414 0.2666 ( 3400 PWs) bands (ev): -20.7888 -20.7884 -20.7864 -20.7863 -20.3256 -20.3253 -13.2448 -13.2444 -11.7915 -11.7911 -11.6967 -11.6961 -7.0925 -7.0923 -7.0760 -7.0758 -5.4325 -5.4319 -2.5187 -2.5178 -2.2636 -2.2601 -2.0061 -2.0020 -1.5498 -1.5413 -0.9402 -0.9342 -0.8441 -0.8380 2.4321 2.4334 2.7557 2.7584 3.7450 3.7468 3.8179 3.8220 4.8137 4.8148 5.3142 5.3174 6.7834 6.7839 7.3650 7.3653 8.2296 8.2300 11.7612 11.7626 12.4636 12.4652 13.2408 13.2466 14.1974 14.2005 14.2135 14.2180 k = 0.1333 0.2309 0.2666 ( 3400 PWs) bands (ev): -20.7926 -20.7923 -20.7903 -20.7902 -20.3251 -20.3248 -13.2342 -13.2339 -11.7825 -11.7821 -11.6929 -11.6923 -7.1029 -7.1027 -7.0871 -7.0869 -5.4377 -5.4372 -2.4901 -2.4893 -2.2322 -2.2285 -2.0011 -1.9968 -1.5303 -1.5216 -0.9368 -0.9308 -0.8388 -0.8326 2.4156 2.4169 2.7259 2.7287 3.7229 3.7246 3.7768 3.7808 4.8099 4.8110 5.2815 5.2846 6.7862 6.7867 7.3389 7.3392 8.2304 8.2307 11.7941 11.7954 12.4775 12.4791 13.2640 13.2696 14.2099 14.2124 14.2791 14.2845 k = 0.1273 0.2204 0.2666 ( 3396 PWs) bands (ev): -20.7964 -20.7961 -20.7941 -20.7941 -20.3247 -20.3243 -13.2237 -13.2234 -11.7735 -11.7731 -11.6892 -11.6887 -7.1131 -7.1129 -7.0980 -7.0979 -5.4429 -5.4425 -2.4616 -2.4609 -2.2006 -2.1968 -1.9957 -1.9913 -1.5106 -1.5017 -0.9339 -0.9279 -0.8344 -0.8281 2.3998 2.4011 2.6956 2.6984 3.7014 3.7029 3.7365 3.7407 4.8066 4.8077 5.2484 5.2514 6.7908 6.7913 7.3135 7.3137 8.2292 8.2294 11.8281 11.8293 12.4926 12.4942 13.2850 13.2902 14.2211 14.2237 14.3424 14.3480 k = 0.1212 0.2099 0.2666 ( 3392 PWs) bands (ev): -20.8002 -20.7998 -20.7978 -20.7978 -20.3242 -20.3239 -13.2133 -13.2130 -11.7644 -11.7641 -11.6858 -11.6852 -7.1231 -7.1229 -7.1088 -7.1087 -5.4482 -5.4478 -2.4334 -2.4328 -2.1689 -2.1650 -1.9896 -1.9851 -1.4907 -1.4816 -0.9317 -0.9258 -0.8310 -0.8247 2.3847 2.3859 2.6647 2.6675 3.6803 3.6813 3.6975 3.7022 4.8039 4.8050 5.2151 5.2180 6.7970 6.7975 7.2887 7.2889 8.2260 8.2261 11.8633 11.8644 12.5088 12.5106 13.3032 13.3081 14.2316 14.2342 14.3987 14.4042 k = 0.1152 0.1994 0.2666 ( 3396 PWs) bands (ev): -20.8038 -20.8035 -20.8015 -20.8015 -20.3238 -20.3235 -13.2031 -13.2028 -11.7555 -11.7551 -11.6825 -11.6819 -7.1328 -7.1326 -7.1193 -7.1192 -5.4535 -5.4531 -2.4058 -2.4053 -2.1373 -2.1333 -1.9828 -1.9782 -1.4705 -1.4613 -0.9302 -0.9243 -0.8288 -0.8224 2.3702 2.3714 2.6335 2.6362 3.6556 3.6560 3.6641 3.6693 4.8017 4.8027 5.1819 5.1846 6.8048 6.8053 7.2646 7.2648 8.2209 8.2209 11.8997 11.9007 12.5263 12.5281 13.3183 13.3226 14.2413 14.2439 14.4413 14.4458 k = 0.1091 0.1890 0.2666 ( 3396 PWs) bands (ev): -20.8074 -20.8070 -20.8051 -20.8051 -20.3234 -20.3231 -13.1931 -13.1928 -11.7466 -11.7463 -11.6793 -11.6787 -7.1423 -7.1421 -7.1296 -7.1294 -5.4588 -5.4584 -2.3790 -2.3787 -2.1059 -2.1017 -1.9752 -1.9703 -1.4503 -1.4408 -0.9294 -0.9235 -0.8277 -0.8212 2.3564 2.3576 2.6020 2.6047 3.6201 3.6221 3.6437 3.6472 4.7999 4.8009 5.1490 5.1516 6.8139 6.8145 7.2414 7.2415 8.2139 8.2140 11.9373 11.9383 12.5451 12.5470 13.3298 13.3336 14.2502 14.2528 14.4636 14.4660 k = 0.1030 0.1785 0.2666 ( 3388 PWs) bands (ev): -20.8108 -20.8105 -20.8085 -20.8085 -20.3231 -20.3228 -13.1834 -13.1831 -11.7379 -11.7376 -11.6763 -11.6757 -7.1514 -7.1512 -7.1395 -7.1393 -5.4639 -5.4635 -2.3533 -2.3531 -2.0748 -2.0706 -1.9664 -1.9615 -1.4298 -1.4202 -0.9293 -0.9235 -0.8278 -0.8212 2.3432 2.3443 2.5705 2.5730 3.5844 3.5867 3.6260 3.6289 4.7986 4.7995 5.1167 5.1191 6.8244 6.8250 7.2189 7.2191 8.2052 8.2054 11.9763 11.9772 12.5651 12.5670 13.3374 13.3404 14.2585 14.2610 14.4666 14.4666 k = 0.0970 0.1680 0.2666 ( 3394 PWs) bands (ev): -20.8141 -20.8138 -20.8119 -20.8119 -20.3227 -20.3225 -13.1740 -13.1737 -11.7294 -11.7291 -11.6734 -11.6729 -7.1602 -7.1600 -7.1490 -7.1489 -5.4690 -5.4687 -2.3290 -2.3290 -2.0442 -2.0400 -1.9565 -1.9514 -1.4092 -1.3994 -0.9299 -0.9242 -0.8292 -0.8225 2.3307 2.3317 2.5391 2.5415 3.5499 3.5523 3.6096 3.6123 4.7977 4.7986 5.0850 5.0873 6.8361 6.8366 7.1974 7.1975 8.1949 8.1952 12.0165 12.0175 12.5862 12.5882 13.3405 13.3428 14.2660 14.2683 14.4558 14.4577 k = 0.0909 0.1575 0.2666 ( 3390 PWs) bands (ev): -20.8173 -20.8170 -20.8151 -20.8151 -20.3224 -20.3222 -13.1649 -13.1646 -11.7211 -11.7208 -11.6707 -11.6702 -7.1686 -7.1684 -7.1582 -7.1581 -5.4740 -5.4736 -2.3065 -2.3064 -2.0144 -2.0100 -1.9453 -1.9401 -1.3884 -1.3785 -0.9313 -0.9256 -0.8318 -0.8251 2.3188 2.3198 2.5080 2.5103 3.5168 3.5192 3.5945 3.5970 4.7972 4.7979 5.0543 5.0565 6.8487 6.8493 7.1767 7.1769 8.1832 8.1836 12.0581 12.0590 12.6085 12.6104 13.3389 13.3405 14.2729 14.2751 14.4402 14.4436 k = 0.0848 0.1470 0.2666 ( 3392 PWs) bands (ev): -20.8204 -20.8201 -20.8181 -20.8181 -20.3222 -20.3219 -13.1562 -13.1559 -11.7131 -11.7129 -11.6681 -11.6677 -7.1766 -7.1764 -7.1669 -7.1668 -5.4788 -5.4785 -2.2859 -2.2857 -1.9854 -1.9810 -1.9327 -1.9274 -1.3674 -1.3574 -0.9333 -0.9277 -0.8358 -0.8290 2.3075 2.3085 2.4774 2.4796 3.4854 3.4877 3.5806 3.5830 4.7969 4.7976 5.0247 5.0267 6.8622 6.8628 7.1571 7.1572 8.1703 8.1707 12.1009 12.1019 12.6316 12.6336 13.3324 13.3333 14.2792 14.2812 14.4235 14.4279 k = 0.0788 0.1365 0.2666 ( 3384 PWs) bands (ev): -20.8232 -20.8230 -20.8210 -20.8210 -20.3219 -20.3217 -13.1479 -13.1477 -11.7055 -11.7053 -11.6657 -11.6653 -7.1842 -7.1841 -7.1752 -7.1751 -5.4834 -5.4831 -2.2673 -2.2670 -1.9575 -1.9531 -1.9187 -1.9134 -1.3463 -1.3362 -0.9360 -0.9305 -0.8411 -0.8343 2.2969 2.2978 2.4476 2.4496 3.4557 3.4579 3.5680 3.5703 4.7969 4.7976 4.9964 4.9983 6.8764 6.8770 7.1386 7.1386 8.1564 8.1569 12.1451 12.1460 12.6555 12.6575 13.3209 13.3211 14.2852 14.2869 14.4075 14.4128 k = 0.0727 0.1260 0.2666 ( 3388 PWs) bands (ev): -20.8260 -20.8257 -20.8237 -20.8237 -20.3217 -20.3214 -13.1401 -13.1399 -11.6983 -11.6981 -11.6635 -11.6630 -7.1914 -7.1912 -7.1829 -7.1828 -5.4878 -5.4875 -2.2508 -2.2504 -1.9309 -1.9265 -1.9034 -1.8981 -1.3250 -1.3148 -0.9392 -0.9339 -0.8477 -0.8409 2.2870 2.2878 2.4188 2.4207 3.4278 3.4298 3.5565 3.5587 4.7971 4.7977 4.9696 4.9713 6.8911 6.8917 7.1211 7.1212 8.1417 8.1422 12.1904 12.1914 12.6799 12.6818 13.3038 13.3044 14.2907 14.2922 14.3931 14.3990 k = 0.0667 0.1155 0.2666 ( 3380 PWs) bands (ev): -20.8285 -20.8283 -20.8263 -20.8263 -20.3215 -20.3213 -13.1328 -13.1325 -11.6915 -11.6913 -11.6613 -11.6609 -7.1981 -7.1979 -7.1901 -7.1901 -5.4919 -5.4917 -2.2363 -2.2359 -1.9058 -1.9017 -1.8868 -1.8818 -1.3035 -1.2933 -0.9430 -0.9379 -0.8557 -0.8488 2.2777 2.2785 2.3913 2.3930 3.4019 3.4037 3.5462 3.5483 4.7974 4.7980 4.9443 4.9459 6.9060 6.9066 7.1048 7.1049 8.1265 8.1271 12.2370 12.2380 12.7045 12.7064 13.2818 13.2829 14.2960 14.2973 14.3808 14.3871 k = 0.0606 0.1050 0.2666 ( 3380 PWs) bands (ev): -20.8308 -20.8306 -20.8286 -20.8286 -20.3213 -20.3211 -13.1260 -13.1257 -11.6852 -11.6850 -11.6594 -11.6590 -7.2043 -7.2042 -7.1968 -7.1967 -5.4958 -5.4956 -2.2239 -2.2234 -1.8825 -1.8791 -1.8689 -1.8646 -1.2818 -1.2717 -0.9472 -0.9423 -0.8649 -0.8580 2.2691 2.2698 2.3653 2.3669 3.3779 3.3796 3.5371 3.5389 4.7979 4.7984 4.9208 4.9223 6.9210 6.9216 7.0898 7.0898 8.1111 8.1117 12.2846 12.2856 12.7290 12.7309 13.2552 13.2568 14.3012 14.3022 14.3706 14.3770 k = 0.0545 0.0945 0.2666 ( 3390 PWs) bands (ev): -20.8330 -20.8328 -20.8308 -20.8308 -20.3211 -20.3209 -13.1197 -13.1195 -11.6794 -11.6793 -11.6575 -11.6571 -7.2100 -7.2099 -7.2029 -7.2028 -5.4994 -5.4992 -2.2134 -2.2129 -1.8611 -1.8590 -1.8500 -1.8470 -1.2601 -1.2500 -0.9518 -0.9470 -0.8755 -0.8686 2.2612 2.2619 2.3411 2.3425 3.3560 3.3576 3.5290 3.5307 4.7985 4.7989 4.8992 4.9005 6.9357 6.9363 7.0759 7.0760 8.0957 8.0963 12.3331 12.3343 12.7530 12.7548 13.2244 13.2263 14.3062 14.3071 14.3624 14.3688 k = 0.0485 0.0840 0.2666 ( 3384 PWs) bands (ev): -20.8349 -20.8347 -20.8327 -20.8327 -20.3210 -20.3208 -13.1140 -13.1138 -11.6742 -11.6742 -11.6557 -11.6554 -7.2152 -7.2151 -7.2083 -7.2083 -5.5027 -5.5025 -2.2045 -2.2040 -1.8417 -1.8408 -1.8311 -1.8294 -1.2382 -1.2283 -0.9565 -0.9520 -0.8872 -0.8803 2.2540 2.2546 2.3188 2.3200 3.3363 3.3377 3.5219 3.5235 4.7991 4.7995 4.8796 4.8808 6.9500 6.9506 7.0635 7.0635 8.0807 8.0813 12.3826 12.3838 12.7763 12.7780 13.1897 13.1920 14.3113 14.3120 14.3561 14.3624 k = 0.0424 0.0735 0.2666 ( 3388 PWs) bands (ev): -20.8367 -20.8365 -20.8345 -20.8345 -20.3208 -20.3207 -13.1089 -13.1088 -11.6697 -11.6697 -11.6541 -11.6537 -7.2198 -7.2198 -7.2132 -7.2132 -5.5057 -5.5055 -2.1972 -2.1967 -1.8241 -1.8241 -1.8135 -1.8127 -1.2164 -1.2067 -0.9613 -0.9570 -0.8999 -0.8932 2.2474 2.2481 2.2988 2.2998 3.3187 3.3199 3.5158 3.5172 4.7996 4.8000 4.8620 4.8631 6.9635 6.9641 7.0523 7.0524 8.0664 8.0669 12.4327 12.4340 12.7983 12.7998 13.1517 13.1542 14.3165 14.3169 14.3514 14.3574 k = 0.0364 0.0630 0.2666 ( 3384 PWs) bands (ev): -20.8382 -20.8380 -20.8360 -20.8360 -20.3207 -20.3206 -13.1045 -13.1044 -11.6659 -11.6659 -11.6525 -11.6522 -7.2239 -7.2239 -7.2174 -7.2174 -5.5082 -5.5081 -2.1912 -2.1908 -1.8087 -1.8083 -1.7977 -1.7973 -1.1948 -1.1854 -0.9659 -0.9619 -0.9136 -0.9070 2.2415 2.2422 2.2812 2.2820 3.3034 3.3045 3.5107 3.5119 4.8002 4.8005 4.8467 4.8476 6.9760 6.9765 7.0426 7.0426 8.0531 8.0536 12.4834 12.4848 12.8186 12.8200 13.1110 13.1135 14.3216 14.3220 14.3482 14.3537 k = 0.0303 0.0525 0.2666 ( 3378 PWs) bands (ev): -20.8394 -20.8393 -20.8373 -20.8373 -20.3206 -20.3205 -13.1007 -13.1006 -11.6628 -11.6627 -11.6509 -11.6507 -7.2274 -7.2273 -7.2210 -7.2210 -5.5104 -5.5103 -2.1864 -2.1861 -1.7949 -1.7945 -1.7841 -1.7838 -1.1737 -1.1646 -0.9703 -0.9665 -0.9277 -0.9214 2.2362 2.2369 2.2664 2.2669 3.2905 3.2913 3.5064 3.5074 4.8006 4.8009 4.8338 4.8345 6.9873 6.9877 7.0343 7.0343 8.0412 8.0417 12.5342 12.5357 12.8368 12.8380 13.0680 13.0706 14.3267 14.3270 14.3461 14.3510 k = 0.0242 0.0420 0.2666 ( 3378 PWs) bands (ev): -20.8405 -20.8404 -20.8384 -20.8384 -20.3206 -20.3205 -13.0975 -13.0975 -11.6603 -11.6603 -11.6495 -11.6493 -7.2303 -7.2302 -7.2239 -7.2239 -5.5123 -5.5122 -2.1826 -2.1824 -1.7832 -1.7829 -1.7726 -1.7724 -1.1533 -1.1449 -0.9743 -0.9707 -0.9419 -0.9363 2.2315 2.2321 2.2544 2.2547 3.2798 3.2805 3.5030 3.5038 4.8008 4.8010 4.8232 4.8239 6.9969 6.9972 7.0275 7.0275 8.0310 8.0314 12.5847 12.5863 12.8524 12.8534 13.0235 13.0260 14.3314 14.3318 14.3449 14.3491 k = 0.0182 0.0315 0.2666 ( 3374 PWs) bands (ev): -20.8413 -20.8412 -20.8392 -20.8392 -20.3205 -20.3204 -13.0951 -13.0950 -11.6586 -11.6586 -11.6483 -11.6481 -7.2325 -7.2325 -7.2262 -7.2262 -5.5137 -5.5136 -2.1798 -2.1796 -1.7737 -1.7736 -1.7635 -1.7633 -1.1344 -1.1269 -0.9779 -0.9743 -0.9553 -0.9507 2.2271 2.2277 2.2456 2.2458 3.2715 3.2720 3.5004 3.5010 4.8006 4.8007 4.8154 4.8159 7.0047 7.0050 7.0222 7.0222 8.0227 8.0230 12.6342 12.6359 12.8651 12.8658 12.9785 12.9809 14.3355 14.3359 14.3446 14.3480 k = 0.0121 0.0210 0.2666 ( 3374 PWs) bands (ev): -20.8419 -20.8419 -20.8398 -20.8398 -20.3204 -20.3204 -13.0933 -13.0933 -11.6574 -11.6574 -11.6473 -11.6471 -7.2341 -7.2341 -7.2278 -7.2278 -5.5147 -5.5147 -2.1779 -2.1777 -1.7669 -1.7668 -1.7569 -1.7567 -1.1180 -1.1120 -0.9811 -0.9774 -0.9664 -0.9637 2.2234 2.2239 2.2399 2.2399 3.2656 3.2659 3.4986 3.4990 4.7998 4.7999 4.8105 4.8107 7.0105 7.0106 7.0183 7.0183 8.0166 8.0168 12.6809 12.6826 12.8744 12.8749 12.9351 12.9372 14.3385 14.3388 14.3452 14.3476 k = 0.0061 0.0105 0.2666 ( 3382 PWs) bands (ev): -20.8423 -20.8422 -20.8402 -20.8402 -20.3204 -20.3204 -13.0923 -13.0922 -11.6568 -11.6568 -11.6466 -11.6465 -7.2351 -7.2351 -7.2288 -7.2288 -5.5153 -5.5153 -2.1767 -2.1767 -1.7627 -1.7627 -1.7528 -1.7527 -1.1057 -1.1022 -0.9838 -0.9806 -0.9731 -0.9726 2.2209 2.2211 2.2368 2.2368 3.2621 3.2622 3.4976 3.4978 4.7987 4.7987 4.8082 4.8083 7.0140 7.0141 7.0160 7.0160 8.0129 8.0130 12.7200 12.7212 12.8801 12.8803 12.8983 12.8999 14.3401 14.3401 14.3464 14.3476 k = 0.0000 0.0000 0.2666 ( 3390 PWs) bands (ev): -20.8424 -20.8424 -20.8403 -20.8403 -20.3204 -20.3204 -13.0919 -13.0919 -11.6565 -11.6565 -11.6464 -11.6464 -7.2354 -7.2354 -7.2292 -7.2292 -5.5155 -5.5155 -2.1763 -2.1763 -1.7613 -1.7613 -1.7514 -1.7514 -1.0998 -1.0998 -0.9840 -0.9840 -0.9751 -0.9751 2.2201 2.2201 2.2358 2.2358 3.2609 3.2609 3.4973 3.4973 4.7981 4.7981 4.8076 4.8076 7.0151 7.0151 7.0153 7.0153 8.0117 8.0117 12.7380 12.7380 12.8807 12.8807 12.8837 12.8837 14.3405 14.3405 14.3473 14.3473 k = 0.5000 0.2887 0.2666 ( 3424 PWs) bands (ev): -20.7290 -20.7290 -20.7186 -20.7186 -20.3370 -20.3370 -13.4127 -13.4127 -11.9470 -11.9470 -11.7357 -11.7357 -6.9059 -6.9059 -6.8977 -6.8977 -5.3685 -5.3685 -2.9221 -2.9221 -2.8540 -2.8540 -1.8864 -1.8864 -1.7758 -1.7758 -1.0905 -1.0905 -0.9565 -0.9565 2.2921 2.2921 3.3381 3.3381 4.1534 4.1534 4.4133 4.4133 5.4491 5.4491 5.5516 5.5516 7.2879 7.2879 7.4733 7.4733 7.9873 7.9873 11.1213 11.1213 12.2681 12.2681 12.8496 12.8496 13.3828 13.3828 14.4091 14.4091 k = 0.5000 0.2887 0.2545 ( 3424 PWs) bands (ev): -20.7353 -20.7333 -20.7140 -20.7119 -20.3374 -20.3373 -13.4119 -13.4115 -11.9620 -11.9576 -11.7255 -11.7213 -6.9584 -6.9513 -6.8519 -6.8447 -5.3696 -5.3693 -2.9349 -2.9307 -2.8447 -2.8400 -1.8894 -1.8878 -1.7748 -1.7726 -1.0985 -1.0944 -0.9535 -0.9497 2.2918 2.2925 3.3397 3.3409 4.1456 4.1486 4.4156 4.4191 5.4466 5.4493 5.5512 5.5539 7.2883 7.2884 7.4731 7.4733 7.9875 7.9876 11.1221 11.1223 12.2632 12.2639 12.8531 12.8538 13.3811 13.3817 14.4088 14.4103 k = 0.5000 0.2887 0.2424 ( 3414 PWs) bands (ev): -20.7438 -20.7416 -20.7049 -20.7025 -20.3384 -20.3381 -13.4090 -13.4082 -11.9954 -11.9884 -11.6960 -11.6895 -7.0108 -7.0037 -6.7982 -6.7910 -5.3724 -5.3719 -2.9575 -2.9522 -2.8207 -2.8143 -1.8959 -1.8931 -1.7700 -1.7659 -1.1157 -1.1088 -0.9422 -0.9359 2.2916 2.2931 3.3458 3.3481 4.1268 4.1322 4.4252 4.4316 5.4421 5.4473 5.5527 5.5577 7.2895 7.2898 7.4727 7.4732 7.9881 7.9884 11.1247 11.1250 12.2497 12.2511 12.8640 12.8654 13.3765 13.3777 14.4093 14.4125 k = 0.5000 0.2887 0.2303 ( 3412 PWs) bands (ev): -20.7521 -20.7501 -20.6951 -20.6925 -20.3400 -20.3396 -13.4041 -13.4030 -12.0381 -12.0300 -11.6568 -11.6493 -7.0624 -7.0555 -6.7444 -6.7371 -5.3770 -5.3762 -2.9822 -2.9767 -2.7917 -2.7845 -1.9050 -1.9014 -1.7624 -1.7569 -1.1384 -1.1300 -0.9262 -0.9186 2.2916 2.2938 3.3561 3.3596 4.1000 4.1069 4.4392 4.4476 5.4363 5.4434 5.5558 5.5626 7.2915 7.2919 7.4721 7.4728 7.9893 7.9896 11.1290 11.1294 12.2287 12.2307 12.8813 12.8833 13.3693 13.3711 14.4101 14.4149 k = 0.5000 0.2887 0.2181 ( 3412 PWs) bands (ev): -20.7603 -20.7583 -20.6849 -20.6823 -20.3422 -20.3416 -13.3972 -13.3957 -12.0854 -12.0766 -11.6134 -11.6055 -7.1131 -7.1063 -6.6904 -6.6833 -5.3834 -5.3824 -3.0069 -3.0015 -2.7603 -2.7527 -1.9156 -1.9116 -1.7534 -1.7468 -1.1641 -1.1548 -0.9085 -0.9002 2.2920 2.2948 3.3705 3.3750 4.0678 4.0757 4.4549 4.4646 5.4298 5.4384 5.5599 5.5680 7.2944 7.2949 7.4713 7.4723 7.9908 7.9913 11.1351 11.1356 12.2016 12.2041 12.9036 12.9059 13.3597 13.3620 14.4104 14.4169 k = 0.5000 0.2887 0.2060 ( 3404 PWs) bands (ev): -20.7681 -20.7662 -20.6744 -20.6717 -20.3451 -20.3443 -13.3883 -13.3863 -12.1349 -12.1258 -11.5685 -11.5606 -7.1628 -7.1561 -6.6366 -6.6294 -5.3916 -5.3903 -3.0310 -3.0258 -2.7276 -2.7197 -1.9269 -1.9228 -1.7440 -1.7365 -1.1915 -1.1816 -0.8905 -0.8820 2.2928 2.2962 3.3884 3.3941 4.0322 4.0407 4.4700 4.4806 5.4234 5.4331 5.5644 5.5735 7.2979 7.2986 7.4704 7.4716 7.9928 7.9934 11.1429 11.1435 12.1697 12.1726 12.9293 12.9320 13.3482 13.3509 14.4090 14.4169 k = 0.5000 0.2887 0.1939 ( 3408 PWs) bands (ev): -20.7755 -20.7737 -20.6637 -20.6610 -20.3485 -20.3476 -13.3774 -13.3751 -12.1857 -12.1764 -11.5235 -11.5156 -7.2112 -7.2047 -6.5830 -6.5759 -5.4016 -5.4001 -3.0543 -3.0493 -2.6938 -2.6856 -1.9386 -1.9344 -1.7349 -1.7267 -1.2194 -1.2092 -0.8730 -0.8645 2.2942 2.2982 3.4095 3.4163 3.9949 4.0036 4.4829 4.4942 5.4176 5.4279 5.5690 5.5788 7.3021 7.3029 7.4693 7.4708 7.9951 7.9958 11.1524 11.1531 12.1343 12.1374 12.9573 12.9602 13.3350 13.3382 14.4043 14.4134 k = 0.5000 0.2887 0.1818 ( 3416 PWs) bands (ev): -20.7826 -20.7809 -20.6529 -20.6501 -20.3525 -20.3514 -13.3645 -13.3618 -12.2370 -12.2276 -11.4789 -11.4712 -7.2582 -7.2519 -6.5297 -6.5226 -5.4134 -5.4116 -3.0765 -3.0718 -2.6592 -2.6506 -1.9502 -1.9461 -1.7271 -1.7181 -1.2472 -1.2367 -0.8566 -0.8482 2.2964 2.3008 3.4330 3.4409 3.9570 3.9660 4.4927 4.5043 5.4127 5.4235 5.5733 5.5835 7.3069 7.3078 7.4681 7.4698 7.9978 7.9985 11.1636 11.1644 12.0964 12.0997 12.9864 12.9894 13.3207 13.3243 14.3952 14.4049 k = 0.5000 0.2887 0.1697 ( 3400 PWs) bands (ev): -20.7893 -20.7876 -20.6418 -20.6390 -20.3570 -20.3558 -13.3496 -13.3466 -12.2885 -12.2791 -11.4354 -11.4279 -7.3035 -7.2974 -6.4768 -6.4698 -5.4269 -5.4249 -3.0975 -3.0932 -2.6237 -2.6150 -1.9615 -1.9575 -1.7211 -1.7115 -1.2741 -1.2634 -0.8414 -0.8331 2.2994 2.3042 3.4582 3.4673 3.9199 3.9291 4.4986 4.5105 5.4092 5.4204 5.5772 5.5877 7.3121 7.3132 7.4668 7.4686 8.0007 8.0015 11.1764 11.1773 12.0568 12.0602 13.0158 13.0188 13.3058 13.3096 14.3816 14.3912 k = 0.5000 0.2887 0.1575 ( 3396 PWs) bands (ev): -20.7955 -20.7940 -20.6307 -20.6279 -20.3621 -20.3608 -13.3329 -13.3294 -12.3400 -12.3305 -11.3933 -11.3861 -7.3471 -7.3412 -6.4245 -6.4176 -5.4422 -5.4399 -3.1174 -3.1133 -2.5876 -2.5786 -1.9725 -1.9686 -1.7179 -1.7075 -1.2994 -1.2886 -0.8276 -0.8195 2.3034 2.3084 3.4838 3.4942 3.8849 3.8944 4.5001 4.5120 5.4074 5.4187 5.5805 5.5912 7.3177 7.3189 7.4654 7.4674 8.0038 8.0047 11.1908 11.1919 12.0161 12.0196 13.0446 13.0475 13.2907 13.2948 14.3642 14.3733 k = 0.5000 0.2887 0.1454 ( 3388 PWs) bands (ev): -20.8014 -20.7999 -20.6194 -20.6166 -20.3676 -20.3662 -13.3142 -13.3104 -12.3912 -12.3818 -11.3529 -11.3460 -7.3885 -7.3829 -6.3728 -6.3660 -5.4592 -5.4567 -3.1360 -3.1322 -2.5510 -2.5417 -1.9829 -1.9791 -1.7180 -1.7070 -1.3222 -1.3116 -0.8152 -0.8075 2.3084 2.3135 3.5080 3.5197 3.8541 3.8640 4.4969 4.5089 5.4073 5.4187 5.5831 5.5939 7.3236 7.3249 7.4639 7.4660 8.0071 8.0080 11.2068 11.2080 11.9747 11.9783 13.0721 13.0749 13.2761 13.2804 14.3441 14.3526 k = 0.5000 0.2887 0.1333 ( 3398 PWs) bands (ev): -20.8068 -20.8055 -20.6082 -20.6053 -20.3737 -20.3722 -13.2936 -13.2894 -12.4419 -12.4326 -11.3145 -11.3080 -7.4277 -7.4225 -6.3219 -6.3152 -5.4779 -5.4752 -3.1533 -3.1499 -2.5139 -2.5044 -1.9926 -1.9889 -1.7222 -1.7107 -1.3420 -1.3315 -0.8042 -0.7969 2.3143 2.3195 3.5282 3.5411 3.8302 3.8406 4.4889 4.5008 5.4089 5.4203 5.5849 5.5957 7.3296 7.3311 7.4623 7.4645 8.0105 8.0114 11.2243 11.2256 11.9332 11.9367 13.0975 13.1000 13.2626 13.2670 14.3226 14.3305 k = 0.5000 0.2887 0.1212 ( 3400 PWs) bands (ev): -20.8117 -20.8105 -20.5969 -20.5941 -20.3802 -20.3786 -13.2712 -13.2667 -12.4922 -12.4829 -11.2783 -11.2723 -7.4645 -7.4595 -6.2719 -6.2653 -5.4982 -5.4953 -3.1693 -3.1661 -2.4764 -2.4668 -2.0016 -1.9980 -1.7310 -1.7191 -1.3580 -1.3479 -0.7946 -0.7877 2.3211 2.3263 3.5412 3.5548 3.8170 3.8277 4.4763 4.4880 5.4123 5.4236 5.5861 5.5968 7.3357 7.3372 7.4607 7.4630 8.0138 8.0147 11.2434 11.2448 11.8917 11.8952 13.1199 13.1220 13.2512 13.2557 14.3006 14.3079 k = 0.5000 0.2887 0.1091 ( 3398 PWs) bands (ev): -20.8163 -20.8152 -20.5856 -20.5828 -20.3871 -20.3854 -13.2470 -13.2422 -12.5417 -12.5326 -11.2447 -11.2391 -7.4985 -7.4940 -6.2228 -6.2164 -5.5202 -5.5170 -3.1838 -3.1809 -2.4388 -2.4290 -2.0097 -2.0061 -1.7446 -1.7325 -1.3701 -1.3606 -0.7864 -0.7799 2.3287 2.3338 3.5444 3.5577 3.8177 3.8281 4.4592 4.4707 5.4171 5.4282 5.5865 5.5970 7.3418 7.3433 7.4591 7.4614 8.0171 8.0180 11.2638 11.2654 11.8505 11.8541 13.1378 13.1394 13.2432 13.2478 14.2790 14.2857 k = 0.5000 0.2887 0.0970 ( 3396 PWs) bands (ev): -20.8203 -20.8193 -20.5745 -20.5717 -20.3944 -20.3925 -13.2211 -13.2159 -12.5905 -12.5815 -11.2138 -11.2088 -7.5296 -7.5255 -6.1749 -6.1687 -5.5436 -5.5403 -3.1969 -3.1944 -2.4011 -2.3912 -2.0170 -2.0133 -1.7628 -1.7508 -1.3785 -1.3698 -0.7794 -0.7735 2.3369 2.3417 3.5376 3.5497 3.8325 3.8420 4.4378 4.4491 5.4232 5.4339 5.5862 5.5965 7.3476 7.3492 7.4575 7.4598 8.0203 8.0211 11.2857 11.2873 11.8099 11.8134 13.1495 13.1506 13.2406 13.2451 14.2583 14.2644 k = 0.5000 0.2887 0.0848 ( 3396 PWs) bands (ev): -20.8239 -20.8230 -20.5634 -20.5607 -20.4019 -20.4000 -13.1935 -13.1880 -12.6384 -12.6295 -11.1859 -11.1814 -7.5577 -7.5540 -6.1283 -6.1223 -5.5685 -5.5650 -3.2085 -3.2063 -2.3637 -2.3537 -2.0233 -2.0194 -1.7851 -1.7732 -1.3836 -1.3758 -0.7735 -0.7682 2.3453 2.3499 3.5237 3.5341 3.8581 3.8669 4.4126 4.4236 5.4301 5.4403 5.5854 5.5952 7.3532 7.3548 7.4559 7.4581 8.0233 8.0241 11.3088 11.3106 11.7701 11.7735 13.1539 13.1550 13.2440 13.2482 14.2390 14.2445 k = 0.5000 0.2887 0.0727 ( 3392 PWs) bands (ev): -20.8270 -20.8262 -20.5527 -20.5500 -20.4096 -20.4077 -13.1642 -13.1585 -12.6852 -12.6765 -11.1612 -11.1573 -7.5824 -7.5791 -6.0832 -6.0774 -5.5947 -5.5910 -3.2186 -3.2167 -2.3268 -2.3168 -2.0284 -2.0242 -1.8106 -1.7991 -1.3861 -1.3793 -0.7687 -0.7640 2.3538 2.3580 3.5061 3.5149 3.8911 3.8992 4.3841 4.3947 5.4375 5.4471 5.5841 5.5934 7.3584 7.3600 7.4544 7.4565 8.0260 8.0267 11.3333 11.3352 11.7311 11.7344 13.1528 13.1541 13.2519 13.2556 14.2215 14.2264 k = 0.5000 0.2887 0.0606 ( 3398 PWs) bands (ev): -20.8296 -20.8290 -20.5423 -20.5398 -20.4174 -20.4155 -13.1335 -13.1275 -12.7309 -12.7224 -11.1399 -11.1366 -7.6036 -7.6008 -6.0400 -6.0344 -5.6218 -5.6180 -3.2272 -3.2256 -2.2910 -2.2812 -2.0321 -2.0276 -1.8385 -1.8275 -1.3867 -1.3811 -0.7648 -0.7608 2.3619 2.3656 3.4878 3.4950 3.9282 3.9361 4.3527 4.3629 5.4451 5.4538 5.5824 5.5910 7.3631 7.3645 7.4530 7.4550 8.0285 8.0291 11.3588 11.3608 11.6931 11.6963 13.1489 13.1502 13.2616 13.2647 14.2062 14.2104 k = 0.5000 0.2887 0.0485 ( 3406 PWs) bands (ev): -20.8318 -20.8313 -20.5324 -20.5301 -20.4251 -20.4232 -13.1015 -13.0952 -12.7752 -12.7670 -11.1221 -11.1194 -7.6211 -7.6189 -5.9990 -5.9938 -5.6494 -5.6456 -3.2343 -3.2330 -2.2571 -2.2477 -2.0342 -2.0292 -1.8676 -1.8572 -1.3863 -1.3817 -0.7617 -0.7585 2.3693 2.3724 3.4708 3.4765 3.9677 3.9755 4.3190 4.3288 5.4524 5.4600 5.5808 5.5882 7.3672 7.3684 7.4518 7.4535 8.0305 8.0310 11.3854 11.3875 11.6563 11.6594 13.1443 13.1455 13.2712 13.2737 14.1934 14.1968 k = 0.5000 0.2887 0.0364 ( 3412 PWs) bands (ev): -20.8334 -20.8331 -20.5235 -20.5214 -20.4322 -20.4305 -13.0684 -13.0620 -12.8177 -12.8099 -11.1081 -11.1060 -7.6349 -7.6332 -5.9613 -5.9565 -5.6765 -5.6729 -3.2397 -3.2387 -2.2263 -2.2178 -2.0339 -2.0286 -1.8964 -1.8870 -1.3852 -1.3818 -0.7594 -0.7569 2.3757 2.3780 3.4565 3.4608 4.0079 4.0155 4.2840 4.2932 5.4590 5.4652 5.5793 5.5854 7.3705 7.3716 7.4509 7.4523 8.0322 8.0326 11.4127 11.4149 11.6211 11.6241 13.1401 13.1411 13.2793 13.2812 14.1833 14.1859 k = 0.5000 0.2887 0.0242 ( 3416 PWs) bands (ev): -20.8346 -20.8343 -20.5158 -20.5142 -20.4383 -20.4369 -13.0350 -13.0288 -12.8575 -12.8503 -11.0978 -11.0965 -7.6447 -7.6436 -5.9283 -5.9244 -5.7014 -5.6983 -3.2436 -3.2429 -2.2005 -2.1937 -2.0308 -2.0255 -1.9229 -1.9149 -1.3840 -1.3817 -0.7576 -0.7559 2.3806 2.3822 3.4459 3.4487 4.0469 4.0541 4.2494 4.2576 5.4645 5.4689 5.5784 5.5827 7.3731 7.3738 7.4503 7.4512 8.0334 8.0337 11.4400 11.4422 11.5883 11.5909 13.1368 13.1375 13.2856 13.2869 14.1761 14.1778 k = 0.5000 0.2887 0.0121 ( 3420 PWs) bands (ev): -20.8353 -20.8351 -20.5104 -20.5095 -20.4424 -20.4416 -13.0038 -12.9988 -12.8914 -12.8858 -11.0915 -11.0908 -7.6505 -7.6500 -5.9038 -5.9014 -5.7202 -5.7182 -3.2458 -3.2455 -2.1823 -2.1785 -2.0249 -2.0212 -1.9429 -1.9377 -1.3829 -1.3818 -0.7564 -0.7556 2.3838 2.3847 3.4396 3.4410 4.0809 4.0863 4.2197 4.2256 5.4685 5.4708 5.5781 5.5804 7.3747 7.3751 7.4500 7.4505 8.0342 8.0343 11.4651 11.4669 11.5603 11.5623 13.1349 13.1352 13.2896 13.2902 14.1719 14.1728 k = 0.5000 0.2887-0.0000 ( 3426 PWs) bands (ev): -20.8355 -20.8355 -20.5080 -20.5080 -20.4436 -20.4436 -12.9856 -12.9856 -12.9057 -12.9057 -11.0892 -11.0892 -7.6523 -7.6523 -5.8934 -5.8934 -5.7269 -5.7269 -3.2465 -3.2465 -2.1744 -2.1744 -2.0200 -2.0200 -1.9491 -1.9491 -1.3822 -1.3822 -0.7557 -0.7557 2.3852 2.3852 3.4379 3.4379 4.0988 4.0988 4.2082 4.2082 5.4707 5.4707 5.5788 5.5788 7.3754 7.3754 7.4500 7.4500 8.0345 8.0345 11.4786 11.4786 11.5476 11.5476 13.1343 13.1343 13.2911 13.2911 14.1708 14.1708 k = 0.3333 0.5774-0.0000 ( 3420 PWs) bands (ev): -20.8154 -20.8154 -20.4736 -20.4733 -20.4708 -20.4708 -12.9788 -12.9788 -12.9713 -12.9713 -11.1184 -11.1184 -7.6174 -7.6174 -5.7818 -5.7804 -5.7758 -5.7758 -2.8667 -2.8667 -2.8592 -2.8537 -2.1516 -2.1516 -2.0383 -2.0383 -1.0295 -1.0239 -1.0161 -1.0161 3.2909 3.2912 3.3052 3.3052 3.7504 3.7504 4.7133 4.7133 5.2181 5.2181 5.2292 5.2297 7.6016 7.6037 7.6037 7.6040 8.0230 8.0230 11.6244 11.6244 11.6285 11.6288 12.6029 12.6029 14.1845 14.1845 14.1904 14.1930 k = 0.3333 0.5774 0.0121 ( 3417 PWs) bands (ev): -20.8152 -20.8151 -20.4840 -20.4812 -20.4631 -20.4605 -13.0182 -13.0110 -12.9379 -12.9302 -11.1208 -11.1201 -7.6157 -7.6151 -5.8194 -5.8140 -5.7442 -5.7392 -2.8862 -2.8762 -2.8454 -2.8350 -2.1710 -2.1644 -2.0249 -2.0183 -1.0584 -1.0477 -0.9975 -0.9870 3.2598 3.2741 3.3240 3.3380 3.7475 3.7491 4.7144 4.7160 5.2075 5.2187 5.2280 5.2394 7.5822 7.5832 7.6227 7.6236 8.0226 8.0227 11.5877 11.5918 11.6623 11.6666 12.6025 12.6025 14.1074 14.1143 14.2636 14.2712 k = 0.3333 0.5774 0.0242 ( 3405 PWs) bands (ev): -20.8145 -20.8143 -20.4947 -20.4919 -20.4531 -20.4505 -13.0562 -13.0493 -12.8957 -12.8877 -11.1272 -11.1259 -7.6098 -7.6086 -5.8592 -5.8536 -5.7089 -5.7041 -2.9039 -2.8938 -2.8224 -2.8121 -2.2065 -2.1976 -1.9898 -1.9809 -1.0921 -1.0815 -0.9710 -0.9605 3.2305 3.2450 3.3585 3.3722 3.7405 3.7436 4.7193 4.7223 5.1963 5.2074 5.2371 5.2487 7.5612 7.5621 7.6419 7.6429 8.0216 8.0218 11.5522 11.5562 11.7013 11.7057 12.6014 12.6014 14.0328 14.0395 14.3447 14.4108 k = 0.3333 0.5774 0.0364 ( 3405 PWs) bands (ev): -20.8134 -20.8130 -20.5056 -20.5027 -20.4433 -20.4408 -13.0927 -13.0861 -12.8522 -12.8440 -11.1376 -11.1356 -7.5998 -7.5981 -5.9005 -5.8947 -5.6752 -5.6706 -2.9197 -2.9096 -2.7977 -2.7873 -2.2465 -2.2369 -1.9475 -1.9378 -1.1280 -1.1173 -0.9473 -0.9368 3.2034 3.2180 3.3943 3.4078 3.7296 3.7342 4.7277 4.7321 5.1846 5.1955 5.2453 5.2570 7.5397 7.5406 7.6603 7.6613 8.0200 8.0202 11.5180 11.5218 11.7412 11.7457 12.5995 12.5995 13.9614 13.9679 14.4127 14.4135 k = 0.3333 0.5774 0.0485 ( 3408 PWs) bands (ev): -20.8118 -20.8113 -20.5166 -20.5137 -20.4338 -20.4314 -13.1277 -13.1213 -12.8074 -12.7990 -11.1520 -11.1493 -7.5859 -7.5837 -5.9430 -5.9371 -5.6431 -5.6387 -2.9337 -2.9236 -2.7713 -2.7610 -2.2878 -2.2779 -1.9023 -1.8923 -1.1658 -1.1552 -0.9265 -0.9160 3.1786 3.1934 3.4310 3.4442 3.7151 3.7209 4.7395 4.7452 5.1723 5.1831 5.2526 5.2644 7.5179 7.5188 7.6780 7.6791 8.0177 8.0179 11.4851 11.4888 11.7820 11.7865 12.5969 12.5970 13.8933 13.8997 14.3835 14.3855 k = 0.3333 0.5774 0.0606 ( 3414 PWs) bands (ev): -20.8098 -20.8091 -20.5277 -20.5248 -20.4247 -20.4224 -13.1610 -13.1549 -12.7615 -12.7529 -11.1701 -11.1667 -7.5681 -7.5654 -5.9870 -5.9808 -5.6127 -5.6084 -2.9459 -2.9358 -2.7433 -2.7329 -2.3290 -2.3190 -1.8557 -1.8455 -1.2053 -1.1947 -0.9086 -0.8981 3.1564 3.1713 3.4685 3.4814 3.6972 3.7043 4.7542 4.7611 5.1597 5.1703 5.2589 5.2707 7.4959 7.4967 7.6949 7.6960 8.0148 8.0151 11.4537 11.4572 11.8236 11.8281 12.5937 12.5937 13.8290 13.8353 14.3481 14.3506 k = 0.3333 0.5774 0.0727 ( 3414 PWs) bands (ev): -20.8072 -20.8065 -20.5389 -20.5360 -20.4159 -20.4137 -13.1927 -13.1869 -12.7145 -12.7057 -11.1918 -11.1879 -7.5467 -7.5434 -6.0321 -6.0259 -5.5838 -5.5799 -2.9561 -2.9460 -2.7137 -2.7034 -2.3699 -2.3597 -1.8084 -1.7981 -1.2464 -1.2358 -0.8940 -0.8834 3.1369 3.1519 3.5065 3.5189 3.6766 3.6846 4.7716 4.7795 5.1468 5.1572 5.2640 5.2760 7.4738 7.4745 7.7110 7.7121 8.0112 8.0116 11.4238 11.4271 11.8657 11.8703 12.5898 12.5898 13.7687 13.7749 14.3075 14.3106 k = 0.3333 0.5774 0.0848 ( 3414 PWs) bands (ev): -20.8043 -20.8034 -20.5502 -20.5473 -20.4075 -20.4054 -13.2227 -13.2172 -12.6664 -12.6575 -11.2170 -11.2125 -7.5216 -7.5179 -6.0785 -6.0721 -5.5567 -5.5529 -2.9645 -2.9544 -2.6826 -2.6723 -2.4100 -2.3998 -1.7606 -1.7502 -1.2889 -1.2783 -0.8825 -0.8720 3.1201 3.1352 3.5446 3.5564 3.6535 3.6623 4.7913 4.8001 5.1337 5.1438 5.2680 5.2801 7.4518 7.4525 7.7264 7.7275 8.0071 8.0076 11.3954 11.3985 11.9084 11.9129 12.5854 12.5854 13.7127 13.7188 14.2627 14.2663 k = 0.3333 0.5774 0.0970 ( 3417 PWs) bands (ev): -20.8008 -20.7998 -20.5615 -20.5585 -20.3995 -20.3975 -13.2509 -13.2457 -12.6174 -12.6083 -11.2455 -11.2404 -7.4933 -7.4892 -6.1260 -6.1195 -5.5313 -5.5277 -2.9710 -2.9610 -2.6501 -2.6398 -2.4493 -2.4390 -1.7126 -1.7022 -1.3325 -1.3220 -0.8743 -0.8638 3.1063 3.1215 3.5827 3.5928 3.6294 3.6377 4.8129 4.8224 5.1205 5.1303 5.2707 5.2829 7.4300 7.4307 7.7410 7.7422 8.0025 8.0029 11.3685 11.3715 11.9513 11.9558 12.5804 12.5804 13.6611 13.6672 14.2145 14.2186 k = 0.3333 0.5774 0.1091 ( 3429 PWs) bands (ev): -20.7969 -20.7958 -20.5728 -20.5699 -20.3919 -20.3900 -13.2774 -13.2725 -12.5675 -12.5583 -11.2770 -11.2715 -7.4618 -7.4572 -6.1746 -6.1679 -5.5075 -5.5042 -2.9757 -2.9656 -2.6164 -2.6059 -2.4876 -2.4772 -1.6646 -1.6540 -1.3772 -1.3667 -0.8696 -0.8591 3.0954 3.1107 3.5979 3.6112 3.6203 3.6342 4.8359 4.8461 5.1072 5.1167 5.2720 5.2843 7.4086 7.4093 7.7549 7.7561 7.9972 7.9978 11.3433 11.3461 11.9943 11.9988 12.5748 12.5748 13.6141 13.6202 14.1636 14.1681 k = 0.3333 0.5774 0.1212 ( 3435 PWs) bands (ev): -20.7926 -20.7914 -20.5841 -20.5811 -20.3848 -20.3830 -13.3020 -13.2975 -12.5167 -12.5074 -11.3115 -11.3054 -7.4273 -7.4224 -6.2241 -6.2173 -5.4855 -5.4825 -2.9784 -2.9683 -2.5816 -2.5708 -2.5248 -2.5140 -1.6166 -1.6060 -1.4228 -1.4122 -0.8682 -0.8577 3.0876 3.1030 3.5706 3.5831 3.6572 3.6692 4.8601 4.8708 5.0941 5.1032 5.2719 5.2843 7.3879 7.3885 7.7682 7.7694 7.9915 7.9921 11.3198 11.3224 12.0373 12.0416 12.5688 12.5689 13.5721 13.5782 14.1107 14.1156 k = 0.3333 0.5774 0.1333 ( 3429 PWs) bands (ev): -20.7878 -20.7865 -20.5953 -20.5924 -20.3782 -20.3765 -13.3248 -13.3206 -12.4652 -12.4558 -11.3486 -11.3421 -7.3902 -7.3849 -6.2745 -6.2677 -5.4652 -5.4624 -2.9793 -2.9692 -2.5609 -2.5554 -2.5400 -2.5345 -1.5690 -1.5582 -1.4689 -1.4582 -0.8702 -0.8597 3.0829 3.0983 3.5411 3.5539 3.6931 3.7042 4.8851 4.8963 5.0812 5.0898 5.2704 5.2829 7.3679 7.3684 7.7808 7.7820 7.9853 7.9859 11.2980 11.3004 12.0798 12.0840 12.5624 12.5624 13.5351 13.5413 14.0563 14.0616 k = 0.3333 0.5774 0.1454 ( 3429 PWs) bands (ev): -20.7826 -20.7812 -20.6064 -20.6035 -20.3720 -20.3705 -13.3457 -13.3419 -12.4130 -12.4035 -11.3881 -11.3812 -7.3505 -7.3449 -6.3258 -6.3188 -5.4467 -5.4441 -2.9782 -2.9682 -2.5958 -2.5864 -2.5065 -2.4971 -1.5238 -1.5155 -1.5107 -1.5027 -0.8756 -0.8651 3.0813 3.0967 3.5106 3.5238 3.7275 3.7380 4.9107 4.9222 5.0686 5.0767 5.2674 5.2800 7.3488 7.3494 7.7930 7.7941 7.9786 7.9794 11.2780 11.2802 12.1217 12.1257 12.5555 12.5556 13.5035 13.5098 14.0010 14.0067 k = 0.3333 0.5774 0.1575 ( 3435 PWs) bands (ev): -20.7770 -20.7755 -20.6175 -20.6146 -20.3664 -20.3650 -13.3647 -13.3612 -12.3602 -12.3507 -11.4299 -11.4226 -7.3085 -7.3027 -6.3778 -6.3708 -5.4299 -5.4276 -2.9754 -2.9654 -2.6295 -2.6198 -2.4685 -2.4589 -1.5623 -1.5528 -1.4736 -1.4637 -0.8843 -0.8739 3.0826 3.0981 3.4795 3.4931 3.7603 3.7700 4.9366 4.9482 5.0566 5.0640 5.2628 5.2755 7.3309 7.3314 7.8046 7.8058 7.9716 7.9723 11.2598 11.2617 12.1626 12.1664 12.5481 12.5482 13.4774 13.4838 13.9453 13.9514 k = 0.3333 0.5774 0.1697 ( 3438 PWs) bands (ev): -20.7710 -20.7693 -20.6284 -20.6256 -20.3613 -20.3601 -13.3817 -13.3786 -12.3069 -12.2973 -11.4737 -11.4660 -7.2645 -7.2584 -6.4305 -6.4233 -5.4148 -5.4128 -2.9707 -2.9607 -2.6618 -2.6520 -2.4296 -2.4201 -1.6090 -1.5993 -1.4276 -1.4174 -0.8964 -0.8859 3.0869 3.1024 3.4482 3.4620 3.7910 3.7999 4.9626 4.9741 5.0454 5.0519 5.2566 5.2694 7.3144 7.3148 7.8157 7.8169 7.9641 7.9650 11.2434 11.2451 12.2023 12.2059 12.5402 12.5403 13.4570 13.4636 13.8898 13.8962 k = 0.3333 0.5774 0.1818 ( 3435 PWs) bands (ev): -20.7645 -20.7628 -20.6392 -20.6364 -20.3567 -20.3557 -13.3968 -13.3941 -12.2532 -12.2436 -11.5193 -11.5113 -7.2186 -7.2123 -6.4837 -6.4765 -5.4016 -5.3997 -2.9641 -2.9541 -2.6928 -2.6830 -2.3903 -2.3808 -1.6553 -1.6458 -1.3821 -1.3718 -0.9116 -0.9011 3.0942 3.1097 3.4168 3.4309 3.8193 3.8274 4.9884 4.9992 5.0356 5.0404 5.2488 5.2617 7.2993 7.2997 7.8265 7.8277 7.9564 7.9573 11.2289 11.2304 12.2403 12.2436 12.5317 12.5319 13.4427 13.4494 13.8350 13.8417 k = 0.3333 0.5774 0.1939 ( 3435 PWs) bands (ev): -20.7577 -20.7558 -20.6499 -20.6471 -20.3528 -20.3518 -13.4099 -13.4075 -12.1992 -12.1895 -11.5666 -11.5583 -7.1711 -7.1646 -6.5373 -6.5301 -5.3900 -5.3884 -2.9557 -2.9458 -2.7224 -2.7126 -2.3508 -2.3415 -1.7008 -1.6915 -1.3375 -1.3271 -0.9299 -0.9194 3.1042 3.1197 3.3856 3.4000 3.8448 3.8520 5.0138 5.0172 5.0299 5.0334 5.2394 5.2524 7.2858 7.2862 7.8370 7.8382 7.9483 7.9492 11.2162 11.2175 12.2764 12.2794 12.5224 12.5227 13.4345 13.4414 13.7815 13.7884 k = 0.3333 0.5774 0.2060 ( 3423 PWs) bands (ev): -20.7504 -20.7485 -20.6603 -20.6576 -20.3493 -20.3486 -13.4209 -13.4190 -12.1449 -12.1353 -11.6152 -11.6067 -7.1222 -7.1155 -6.5913 -6.5840 -5.3802 -5.3789 -2.9456 -2.9356 -2.7506 -2.7407 -2.3117 -2.3028 -1.7449 -1.7359 -1.2939 -1.2835 -0.9512 -0.9407 3.1169 3.1324 3.3549 3.3695 3.8673 3.8734 5.0137 5.0205 5.0387 5.0534 5.2283 5.2415 7.2742 7.2745 7.8472 7.8484 7.9400 7.9410 11.2055 11.2066 12.3103 12.3130 12.5123 12.5126 13.4326 13.4397 13.7297 13.7368 k = 0.3333 0.5774 0.2181 ( 3423 PWs) bands (ev): -20.7428 -20.7408 -20.6705 -20.6679 -20.3465 -20.3459 -13.4300 -13.4284 -12.0906 -12.0809 -11.6651 -11.6564 -7.0720 -7.0651 -6.6455 -6.6382 -5.3722 -5.3711 -2.9336 -2.9237 -2.7773 -2.7674 -2.2738 -2.2655 -1.7866 -1.7782 -1.2515 -1.2411 -0.9753 -0.9648 3.1321 3.1476 3.3248 3.3396 3.8863 3.8913 5.0073 5.0123 5.0629 5.0769 5.2157 5.2289 7.2645 7.2647 7.8572 7.8584 7.9315 7.9325 11.1968 11.1976 12.3416 12.3440 12.5010 12.5015 13.4372 13.4445 13.6802 13.6875 k = 0.3333 0.5774 0.2303 ( 3417 PWs) bands (ev): -20.7349 -20.7327 -20.6805 -20.6780 -20.3443 -20.3438 -13.4370 -13.4358 -12.0362 -12.0265 -11.7161 -11.7072 -7.0207 -7.0137 -6.6998 -6.6925 -5.3659 -5.3651 -2.9200 -2.9100 -2.8025 -2.7926 -2.2386 -2.2312 -1.8243 -1.8169 -1.2104 -1.2000 -1.0021 -0.9917 3.1498 3.1652 3.2956 3.3105 3.9016 3.9054 5.0019 5.0056 5.0862 5.1000 5.2015 5.2147 7.2569 7.2570 7.8670 7.8682 7.9227 7.9238 11.1899 11.1906 12.3703 12.3724 12.4885 12.4891 13.4481 13.4556 13.6337 13.6412 k = 0.3333 0.5774 0.2424 ( 3417 PWs) bands (ev): -20.7266 -20.7244 -20.6903 -20.6878 -20.3427 -20.3424 -13.4419 -13.4412 -11.9819 -11.9723 -11.7681 -11.7589 -6.9685 -6.9614 -6.7541 -6.7468 -5.3613 -5.3608 -2.9045 -2.8946 -2.8261 -2.8162 -2.2081 -2.2023 -1.8557 -1.8498 -1.1709 -1.1605 -1.0315 -1.0210 3.1696 3.1850 3.2675 3.2825 3.9129 3.9155 4.9980 5.0005 5.1086 5.1222 5.1857 5.1991 7.2513 7.2514 7.8766 7.8777 7.9138 7.9149 11.1851 11.1855 12.3962 12.3980 12.4744 12.4751 13.4652 13.4729 13.5908 13.5983 k = 0.3333 0.5774 0.2545 ( 3417 PWs) bands (ev): -20.7180 -20.7157 -20.6998 -20.6974 -20.3417 -20.3415 -13.4448 -13.4444 -11.9278 -11.9183 -11.8207 -11.8114 -6.9156 -6.9085 -6.8083 -6.8010 -5.3586 -5.3583 -2.8874 -2.8775 -2.8481 -2.8383 -2.1860 -2.1827 -1.8768 -1.8734 -1.1331 -1.1227 -1.0632 -1.0527 3.1915 3.2068 3.2406 3.2558 3.9200 3.9213 4.9959 4.9972 5.1298 5.1434 5.1685 5.1819 7.2480 7.2480 7.8861 7.8871 7.9047 7.9060 11.1822 11.1824 12.4193 12.4209 12.4585 12.4593 13.4884 13.4963 13.5520 13.5594 k = 0.3333 0.5774 0.2666 ( 3426 PWs) bands (ev): -20.7091 -20.7091 -20.7067 -20.7066 -20.3413 -20.3413 -13.4457 -13.4457 -11.8744 -11.8736 -11.8646 -11.8646 -6.8622 -6.8622 -6.8551 -6.8548 -5.3576 -5.3576 -2.8698 -2.8674 -2.8587 -2.8587 -2.1767 -2.1767 -1.8833 -1.8833 -1.0971 -1.0971 -1.0886 -1.0848 3.2152 3.2152 3.2304 3.2305 3.9228 3.9228 4.9956 4.9956 5.1485 5.1510 5.1633 5.1633 7.2469 7.2469 7.8948 7.8955 7.8955 7.8984 11.1813 11.1813 12.4372 12.4413 12.4413 12.4430 13.5133 13.5219 13.5253 13.5253 Writing output data file SiO2.save init_run : 0.73s CPU 0.41s WALL ( 1 calls) electrons : 408.67s CPU 322.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.07s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 408.65s CPU 322.72s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.26s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.24s CPU 0.44s WALL ( 337 calls) cegterg : 379.20s CPU 305.07s WALL ( 1018 calls) Called by sum_band: Called by *egterg: h_psi : 162.38s CPU 117.51s WALL ( 17887 calls) s_psi : 17.00s CPU 11.80s WALL ( 17887 calls) g_psi : 0.43s CPU 0.34s WALL ( 16532 calls) cdiaghg : 178.24s CPU 153.62s WALL ( 16869 calls) cegterg:over : 16.76s CPU 12.46s WALL ( 16532 calls) cegterg:upda : 14.02s CPU 11.21s WALL ( 16532 calls) cegterg:last : 6.35s CPU 4.92s WALL ( 2029 calls) cdiaghg:chol : 9.67s CPU 8.50s WALL ( 16869 calls) cdiaghg:inve : 6.53s CPU 5.67s WALL ( 16869 calls) cdiaghg:para : 9.96s CPU 8.87s WALL ( 33738 calls) Called by h_psi: h_psi:vloc : 122.16s CPU 88.07s WALL ( 17887 calls) h_psi:vnl : 39.75s CPU 29.06s WALL ( 17887 calls) add_vuspsi : 22.90s CPU 16.00s WALL ( 17887 calls) General routines calbec : 16.80s CPU 13.01s WALL ( 17887 calls) fft : 0.06s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 111.35s CPU 79.84s WALL ( 1414428 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.42s CPU 0.79s WALL ( 674 calls) Parallel routines fft_scatter : 66.24s CPU 49.58s WALL ( 1414451 calls) PWSCF : 7m 5.52s CPU 5m50.74s WALL This run was terminated on: 4:32: 7 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=