Program PWSCF v.5.1.1 starts on 1Aug2015 at 1:19:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 24 7 1629 710 111 Max 42 25 8 1636 732 117 Sum 1981 1159 337 78299 34695 5437 bravais-lattice index = 14 lattice parameter (alat) = 9.4420 a.u. unit-cell volume = 795.7890 (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)= 9.442016 celldm(2)= 1.000000 celldm(3)= 1.091624 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 1.091624 ) 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 0.916066 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 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, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) 12 Sym. Ops. (no inversion) found ( 8 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3638747 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3638747 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3638747 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3638747 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3638747 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3638747 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3638747 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3638747 ) double point group D_6 (622) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3C2' 3C2'' -C2 -3C2' -3C2' G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 3C2'-3C2' 3 -3 9 10 -10 -9 3C2''-3C2' 4 -4 12 -11 11 -12 2C6 5 6 2C3 7 8 -E -1 -2C6 -5 -6 -2C3 -7 -8 Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0033784 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0033784 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0033784 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0033784 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0033784 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0033784 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0033784 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0033784 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0033784 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0033784 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0033784 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0033784 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0033784 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0033784 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0033784 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0033784 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0033784 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0033784 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0033784 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0033784 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0033784 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0033784 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0033784 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0033784 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0033784 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0033784 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0033784 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0033784 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 40) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0033784 k( 41) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0033784 k( 42) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0033784 k( 43) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0033784 k( 44) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0033784 k( 45) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0033784 k( 46) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033784 k( 47) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0033784 k( 48) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0033784 k( 49) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0033784 k( 50) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0033784 k( 51) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0033784 k( 52) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0033784 k( 53) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033784 k( 54) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0033784 k( 55) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0033784 k( 56) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0033784 k( 57) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0033784 k( 58) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0033784 k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 62) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0033784 k( 63) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0033784 k( 64) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0033784 k( 65) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0033784 k( 66) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0033784 k( 67) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0033784 k( 68) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033784 k( 69) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0033784 k( 70) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0033784 k( 71) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0033784 k( 72) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0033784 k( 73) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0033784 k( 74) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0033784 k( 75) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033784 k( 76) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0033784 k( 77) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0033784 k( 78) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0033784 k( 79) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0033784 k( 80) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0033784 k( 81) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0033784 k( 82) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033784 k( 83) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0033784 k( 84) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0033784 k( 85) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0033784 k( 86) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0033784 k( 87) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0033784 k( 88) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0033784 k( 89) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033784 k( 90) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0033784 k( 91) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0033784 k( 92) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0033784 k( 93) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0033784 k( 94) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0033784 k( 95) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0033784 k( 96) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033784 k( 97) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0033784 k( 98) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0033784 k( 99) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0033784 k( 100) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0033784 k( 101) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0033784 k( 102) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0033784 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 105) = ( 0.0000000 0.0000000 0.0157942), wk = 0.0033784 k( 106) = ( 0.0000000 0.0000000 0.0315885), wk = 0.0033784 k( 107) = ( 0.0000000 0.0000000 0.0473827), wk = 0.0033784 k( 108) = ( 0.0000000 0.0000000 0.0631770), wk = 0.0033784 k( 109) = ( 0.0000000 0.0000000 0.0789712), wk = 0.0033784 k( 110) = ( 0.0000000 0.0000000 0.0947655), wk = 0.0033784 k( 111) = ( 0.0000000 0.0000000 0.1105597), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.1263540), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.1421482), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.1579424), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.1737367), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.1895309), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.2053252), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.2211194), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.2369137), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.2527079), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.2685022), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.2842964), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.3000907), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.3158849), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.3316792), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.3474734), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.3632676), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.3790619), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.3948561), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.4106504), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.4264446), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.4422389), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.4580331), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.4580331), wk = 0.0033784 k( 135) = ( 0.0135135 0.0078020 0.4580331), wk = 0.0033784 k( 136) = ( 0.0270270 0.0156041 0.4580331), wk = 0.0033784 k( 137) = ( 0.0405405 0.0234061 0.4580331), wk = 0.0033784 k( 138) = ( 0.0540540 0.0312081 0.4580331), wk = 0.0033784 k( 139) = ( 0.0675676 0.0390102 0.4580331), wk = 0.0033784 k( 140) = ( 0.0810811 0.0468122 0.4580331), wk = 0.0033784 k( 141) = ( 0.0945946 0.0546142 0.4580331), wk = 0.0033784 k( 142) = ( 0.1081081 0.0624162 0.4580331), wk = 0.0033784 k( 143) = ( 0.1216216 0.0702183 0.4580331), wk = 0.0033784 k( 144) = ( 0.1351351 0.0780203 0.4580331), wk = 0.0033784 k( 145) = ( 0.1486486 0.0858223 0.4580331), wk = 0.0033784 k( 146) = ( 0.1621622 0.0936244 0.4580331), wk = 0.0033784 k( 147) = ( 0.1756757 0.1014264 0.4580331), wk = 0.0033784 k( 148) = ( 0.1891892 0.1092284 0.4580331), wk = 0.0033784 k( 149) = ( 0.2027027 0.1170305 0.4580331), wk = 0.0033784 k( 150) = ( 0.2162162 0.1248325 0.4580331), wk = 0.0033784 k( 151) = ( 0.2297297 0.1326345 0.4580331), wk = 0.0033784 k( 152) = ( 0.2432432 0.1404366 0.4580331), wk = 0.0033784 k( 153) = ( 0.2567568 0.1482386 0.4580331), wk = 0.0033784 k( 154) = ( 0.2702703 0.1560406 0.4580331), wk = 0.0033784 k( 155) = ( 0.2837838 0.1638426 0.4580331), wk = 0.0033784 k( 156) = ( 0.2972973 0.1716447 0.4580331), wk = 0.0033784 k( 157) = ( 0.3108108 0.1794467 0.4580331), wk = 0.0033784 k( 158) = ( 0.3243243 0.1872487 0.4580331), wk = 0.0033784 k( 159) = ( 0.3378378 0.1950508 0.4580331), wk = 0.0033784 k( 160) = ( 0.3513514 0.2028528 0.4580331), wk = 0.0033784 k( 161) = ( 0.3648649 0.2106548 0.4580331), wk = 0.0033784 k( 162) = ( 0.3783784 0.2184569 0.4580331), wk = 0.0033784 k( 163) = ( 0.3918919 0.2262589 0.4580331), wk = 0.0033784 k( 164) = ( 0.4054054 0.2340609 0.4580331), wk = 0.0033784 k( 165) = ( 0.4189189 0.2418630 0.4580331), wk = 0.0033784 k( 166) = ( 0.4324324 0.2496650 0.4580331), wk = 0.0033784 k( 167) = ( 0.4459459 0.2574670 0.4580331), wk = 0.0033784 k( 168) = ( 0.4594595 0.2652690 0.4580331), wk = 0.0033784 k( 169) = ( 0.4729730 0.2730711 0.4580331), wk = 0.0033784 k( 170) = ( 0.4864865 0.2808731 0.4580331), wk = 0.0033784 k( 171) = ( 0.5000000 0.2886751 0.4580331), wk = 0.0033784 k( 172) = ( 0.5000000 0.2886751 0.4580331), wk = 0.0033784 k( 173) = ( 0.4920635 0.3024216 0.4580331), wk = 0.0033784 k( 174) = ( 0.4841270 0.3161680 0.4580331), wk = 0.0033784 k( 175) = ( 0.4761905 0.3299144 0.4580331), wk = 0.0033784 k( 176) = ( 0.4682540 0.3436609 0.4580331), wk = 0.0033784 k( 177) = ( 0.4603175 0.3574073 0.4580331), wk = 0.0033784 k( 178) = ( 0.4523810 0.3711537 0.4580331), wk = 0.0033784 k( 179) = ( 0.4444444 0.3849002 0.4580331), wk = 0.0033784 k( 180) = ( 0.4365079 0.3986466 0.4580331), wk = 0.0033784 k( 181) = ( 0.4285714 0.4123930 0.4580331), wk = 0.0033784 k( 182) = ( 0.4206349 0.4261395 0.4580331), wk = 0.0033784 k( 183) = ( 0.4126984 0.4398859 0.4580331), wk = 0.0033784 k( 184) = ( 0.4047619 0.4536324 0.4580331), wk = 0.0033784 k( 185) = ( 0.3968254 0.4673788 0.4580331), wk = 0.0033784 k( 186) = ( 0.3888889 0.4811252 0.4580331), wk = 0.0033784 k( 187) = ( 0.3809524 0.4948717 0.4580331), wk = 0.0033784 k( 188) = ( 0.3730159 0.5086181 0.4580331), wk = 0.0033784 k( 189) = ( 0.3650794 0.5223645 0.4580331), wk = 0.0033784 k( 190) = ( 0.3571429 0.5361110 0.4580331), wk = 0.0033784 k( 191) = ( 0.3492063 0.5498574 0.4580331), wk = 0.0033784 k( 192) = ( 0.3412698 0.5636038 0.4580331), wk = 0.0033784 k( 193) = ( 0.3333333 0.5773503 0.4580331), wk = 0.0033784 k( 194) = ( 0.3333333 0.5773503 0.4580331), wk = 0.0033784 k( 195) = ( 0.3253968 0.5636038 0.4580331), wk = 0.0033784 k( 196) = ( 0.3174603 0.5498574 0.4580331), wk = 0.0033784 k( 197) = ( 0.3095238 0.5361110 0.4580331), wk = 0.0033784 k( 198) = ( 0.3015873 0.5223645 0.4580331), wk = 0.0033784 k( 199) = ( 0.2936508 0.5086181 0.4580331), wk = 0.0033784 k( 200) = ( 0.2857143 0.4948717 0.4580331), wk = 0.0033784 k( 201) = ( 0.2777778 0.4811252 0.4580331), wk = 0.0033784 k( 202) = ( 0.2698413 0.4673788 0.4580331), wk = 0.0033784 k( 203) = ( 0.2619048 0.4536324 0.4580331), wk = 0.0033784 k( 204) = ( 0.2539683 0.4398859 0.4580331), wk = 0.0033784 k( 205) = ( 0.2460317 0.4261395 0.4580331), wk = 0.0033784 k( 206) = ( 0.2380952 0.4123931 0.4580331), wk = 0.0033784 k( 207) = ( 0.2301587 0.3986466 0.4580331), wk = 0.0033784 k( 208) = ( 0.2222222 0.3849002 0.4580331), wk = 0.0033784 k( 209) = ( 0.2142857 0.3711537 0.4580331), wk = 0.0033784 k( 210) = ( 0.2063492 0.3574073 0.4580331), wk = 0.0033784 k( 211) = ( 0.1984127 0.3436609 0.4580331), wk = 0.0033784 k( 212) = ( 0.1904762 0.3299144 0.4580331), wk = 0.0033784 k( 213) = ( 0.1825397 0.3161680 0.4580331), wk = 0.0033784 k( 214) = ( 0.1746032 0.3024216 0.4580331), wk = 0.0033784 k( 215) = ( 0.1666667 0.2886751 0.4580331), wk = 0.0033784 k( 216) = ( 0.1587302 0.2749287 0.4580331), wk = 0.0033784 k( 217) = ( 0.1507937 0.2611823 0.4580331), wk = 0.0033784 k( 218) = ( 0.1428571 0.2474358 0.4580331), wk = 0.0033784 k( 219) = ( 0.1349206 0.2336894 0.4580331), wk = 0.0033784 k( 220) = ( 0.1269841 0.2199430 0.4580331), wk = 0.0033784 k( 221) = ( 0.1190476 0.2061965 0.4580331), wk = 0.0033784 k( 222) = ( 0.1111111 0.1924501 0.4580331), wk = 0.0033784 k( 223) = ( 0.1031746 0.1787036 0.4580331), wk = 0.0033784 k( 224) = ( 0.0952381 0.1649572 0.4580331), wk = 0.0033784 k( 225) = ( 0.0873016 0.1512108 0.4580331), wk = 0.0033784 k( 226) = ( 0.0793651 0.1374644 0.4580331), wk = 0.0033784 k( 227) = ( 0.0714286 0.1237179 0.4580331), wk = 0.0033784 k( 228) = ( 0.0634921 0.1099715 0.4580331), wk = 0.0033784 k( 229) = ( 0.0555556 0.0962251 0.4580331), wk = 0.0033784 k( 230) = ( 0.0476191 0.0824786 0.4580331), wk = 0.0033784 k( 231) = ( 0.0396825 0.0687322 0.4580331), wk = 0.0033784 k( 232) = ( 0.0317460 0.0549857 0.4580331), wk = 0.0033784 k( 233) = ( 0.0238095 0.0412393 0.4580331), wk = 0.0033784 k( 234) = ( 0.0158730 0.0274929 0.4580331), wk = 0.0033784 k( 235) = ( 0.0079365 0.0137464 0.4580331), wk = 0.0033784 k( 236) = ( 0.0000000 0.0000000 0.4580331), wk = 0.0033784 k( 237) = ( 0.5000000 0.2886751 0.4580331), wk = 0.0033784 k( 238) = ( 0.5000000 0.2886751 0.4422389), wk = 0.0033784 k( 239) = ( 0.5000000 0.2886751 0.4264446), wk = 0.0033784 k( 240) = ( 0.5000000 0.2886751 0.4106504), wk = 0.0033784 k( 241) = ( 0.5000000 0.2886751 0.3948561), wk = 0.0033784 k( 242) = ( 0.5000000 0.2886751 0.3790619), wk = 0.0033784 k( 243) = ( 0.5000000 0.2886751 0.3632676), wk = 0.0033784 k( 244) = ( 0.5000000 0.2886751 0.3474734), wk = 0.0033784 k( 245) = ( 0.5000000 0.2886751 0.3316792), wk = 0.0033784 k( 246) = ( 0.5000000 0.2886751 0.3158849), wk = 0.0033784 k( 247) = ( 0.5000000 0.2886751 0.3000907), wk = 0.0033784 k( 248) = ( 0.5000000 0.2886751 0.2842964), wk = 0.0033784 k( 249) = ( 0.5000000 0.2886751 0.2685022), wk = 0.0033784 k( 250) = ( 0.5000000 0.2886751 0.2527079), wk = 0.0033784 k( 251) = ( 0.5000000 0.2886751 0.2369137), wk = 0.0033784 k( 252) = ( 0.5000000 0.2886751 0.2211194), wk = 0.0033784 k( 253) = ( 0.5000000 0.2886751 0.2053252), wk = 0.0033784 k( 254) = ( 0.5000000 0.2886751 0.1895309), wk = 0.0033784 k( 255) = ( 0.5000000 0.2886751 0.1737367), wk = 0.0033784 k( 256) = ( 0.5000000 0.2886751 0.1579424), wk = 0.0033784 k( 257) = ( 0.5000000 0.2886751 0.1421482), wk = 0.0033784 k( 258) = ( 0.5000000 0.2886751 0.1263540), wk = 0.0033784 k( 259) = ( 0.5000000 0.2886751 0.1105597), wk = 0.0033784 k( 260) = ( 0.5000000 0.2886751 0.0947655), wk = 0.0033784 k( 261) = ( 0.5000000 0.2886751 0.0789712), wk = 0.0033784 k( 262) = ( 0.5000000 0.2886751 0.0631770), wk = 0.0033784 k( 263) = ( 0.5000000 0.2886751 0.0473827), wk = 0.0033784 k( 264) = ( 0.5000000 0.2886751 0.0315885), wk = 0.0033784 k( 265) = ( 0.5000000 0.2886751 0.0157942), wk = 0.0033784 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 268) = ( 0.3333333 0.5773503 0.0157942), wk = 0.0033784 k( 269) = ( 0.3333333 0.5773503 0.0315885), wk = 0.0033784 k( 270) = ( 0.3333333 0.5773503 0.0473827), wk = 0.0033784 k( 271) = ( 0.3333333 0.5773503 0.0631770), wk = 0.0033784 k( 272) = ( 0.3333333 0.5773503 0.0789712), wk = 0.0033784 k( 273) = ( 0.3333333 0.5773503 0.0947655), wk = 0.0033784 k( 274) = ( 0.3333333 0.5773503 0.1105597), wk = 0.0033784 k( 275) = ( 0.3333333 0.5773503 0.1263540), wk = 0.0033784 k( 276) = ( 0.3333333 0.5773503 0.1421482), wk = 0.0033784 k( 277) = ( 0.3333333 0.5773503 0.1579424), wk = 0.0033784 k( 278) = ( 0.3333333 0.5773503 0.1737367), wk = 0.0033784 k( 279) = ( 0.3333333 0.5773503 0.1895309), wk = 0.0033784 k( 280) = ( 0.3333333 0.5773503 0.2053252), wk = 0.0033784 k( 281) = ( 0.3333333 0.5773503 0.2211194), wk = 0.0033784 k( 282) = ( 0.3333333 0.5773503 0.2369137), wk = 0.0033784 k( 283) = ( 0.3333333 0.5773503 0.2527079), wk = 0.0033784 k( 284) = ( 0.3333333 0.5773503 0.2685022), wk = 0.0033784 k( 285) = ( 0.3333333 0.5773503 0.2842964), wk = 0.0033784 k( 286) = ( 0.3333333 0.5773503 0.3000907), wk = 0.0033784 k( 287) = ( 0.3333333 0.5773503 0.3158849), wk = 0.0033784 k( 288) = ( 0.3333333 0.5773503 0.3316792), wk = 0.0033784 k( 289) = ( 0.3333333 0.5773503 0.3474734), wk = 0.0033784 k( 290) = ( 0.3333333 0.5773503 0.3632676), wk = 0.0033784 k( 291) = ( 0.3333333 0.5773503 0.3790619), wk = 0.0033784 k( 292) = ( 0.3333333 0.5773503 0.3948561), wk = 0.0033784 k( 293) = ( 0.3333333 0.5773503 0.4106504), wk = 0.0033784 k( 294) = ( 0.3333333 0.5773503 0.4264446), wk = 0.0033784 k( 295) = ( 0.3333333 0.5773503 0.4422389), wk = 0.0033784 k( 296) = ( 0.3333333 0.5773503 0.4580331), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0135135 0.0000000 0.0000000), wk = 0.0033784 k( 3) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0033784 k( 4) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0033784 k( 5) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0033784 k( 6) = ( 0.0675676 0.0000000 0.0000000), wk = 0.0033784 k( 7) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0033784 k( 8) = ( 0.0945946 -0.0000000 0.0000000), wk = 0.0033784 k( 9) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0033784 k( 10) = ( 0.1216216 -0.0000000 0.0000000), wk = 0.0033784 k( 11) = ( 0.1351351 0.0000000 0.0000000), wk = 0.0033784 k( 12) = ( 0.1486486 0.0000000 0.0000000), wk = 0.0033784 k( 13) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0033784 k( 14) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0033784 k( 15) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0033784 k( 16) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0033784 k( 17) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0033784 k( 18) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0033784 k( 19) = ( 0.2432432 -0.0000000 0.0000000), wk = 0.0033784 k( 20) = ( 0.2567568 0.0000000 0.0000000), wk = 0.0033784 k( 21) = ( 0.2702703 0.0000000 -0.0000000), wk = 0.0033784 k( 22) = ( 0.2837838 0.0000000 0.0000000), wk = 0.0033784 k( 23) = ( 0.2972973 0.0000000 0.0000000), wk = 0.0033784 k( 24) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0033784 k( 25) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0033784 k( 26) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0033784 k( 27) = ( 0.3513514 -0.0000000 -0.0000000), wk = 0.0033784 k( 28) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0033784 k( 29) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0033784 k( 30) = ( 0.3918919 -0.0000000 0.0000000), wk = 0.0033784 k( 31) = ( 0.4054054 -0.0000000 0.0000000), wk = 0.0033784 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0033784 k( 33) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0033784 k( 34) = ( 0.4459459 -0.0000000 0.0000000), wk = 0.0033784 k( 35) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0033784 k( 36) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0033784 k( 37) = ( 0.4864865 -0.0000000 -0.0000000), wk = 0.0033784 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033784 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033784 k( 40) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0033784 k( 41) = ( 0.4841270 0.0317460 0.0000000), wk = 0.0033784 k( 42) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0033784 k( 43) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0033784 k( 44) = ( 0.4603175 0.0793651 0.0000000), wk = 0.0033784 k( 45) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0033784 k( 46) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0033784 k( 47) = ( 0.4365079 0.1269841 0.0000000), wk = 0.0033784 k( 48) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0033784 k( 49) = ( 0.4206349 0.1587302 0.0000000), wk = 0.0033784 k( 50) = ( 0.4126984 0.1746032 -0.0000000), wk = 0.0033784 k( 51) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0033784 k( 52) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0033784 k( 53) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033784 k( 54) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0033784 k( 55) = ( 0.3730159 0.2539682 0.0000000), wk = 0.0033784 k( 56) = ( 0.3650794 0.2698413 -0.0000000), wk = 0.0033784 k( 57) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0033784 k( 58) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0033784 k( 59) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0033784 k( 60) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 61) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 62) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0033784 k( 63) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0033784 k( 64) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0033784 k( 65) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0033784 k( 66) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0033784 k( 67) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0033784 k( 68) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0033784 k( 69) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0033784 k( 70) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0033784 k( 71) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0033784 k( 72) = ( 0.2460317 0.2460317 0.0000000), wk = 0.0033784 k( 73) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0033784 k( 74) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0033784 k( 75) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033784 k( 76) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0033784 k( 77) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0033784 k( 78) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0033784 k( 79) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0033784 k( 80) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0033784 k( 81) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0033784 k( 82) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033784 k( 83) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0033784 k( 84) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0033784 k( 85) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0033784 k( 86) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0033784 k( 87) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0033784 k( 88) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0033784 k( 89) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033784 k( 90) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0033784 k( 91) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0033784 k( 92) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0033784 k( 93) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0033784 k( 94) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0033784 k( 95) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0033784 k( 96) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033784 k( 97) = ( 0.0476191 0.0476190 0.0000000), wk = 0.0033784 k( 98) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0033784 k( 99) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0033784 k( 100) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0033784 k( 101) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0033784 k( 102) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0033784 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 105) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0033784 k( 106) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0033784 k( 107) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0033784 k( 108) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0033784 k( 109) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0033784 k( 110) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0033784 k( 111) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 135) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0033784 k( 136) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0033784 k( 137) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0033784 k( 138) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0033784 k( 139) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0033784 k( 140) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0033784 k( 141) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0033784 k( 142) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0033784 k( 143) = ( 0.1216216 -0.0000000 0.5000000), wk = 0.0033784 k( 144) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0033784 k( 145) = ( 0.1486486 0.0000000 0.5000000), wk = 0.0033784 k( 146) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0033784 k( 147) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0033784 k( 148) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0033784 k( 149) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0033784 k( 150) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0033784 k( 151) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0033784 k( 152) = ( 0.2432432 -0.0000000 0.5000000), wk = 0.0033784 k( 153) = ( 0.2567568 0.0000000 0.5000000), wk = 0.0033784 k( 154) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0033784 k( 155) = ( 0.2837838 0.0000000 0.5000000), wk = 0.0033784 k( 156) = ( 0.2972973 0.0000000 0.5000000), wk = 0.0033784 k( 157) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0033784 k( 158) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0033784 k( 159) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0033784 k( 160) = ( 0.3513514 -0.0000000 0.5000000), wk = 0.0033784 k( 161) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0033784 k( 162) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0033784 k( 163) = ( 0.3918919 -0.0000000 0.5000000), wk = 0.0033784 k( 164) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0033784 k( 165) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0033784 k( 166) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0033784 k( 167) = ( 0.4459459 -0.0000000 0.5000000), wk = 0.0033784 k( 168) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0033784 k( 169) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0033784 k( 170) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0033784 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 173) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0033784 k( 174) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0033784 k( 175) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0033784 k( 176) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0033784 k( 177) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0033784 k( 178) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0033784 k( 179) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033784 k( 180) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0033784 k( 181) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0033784 k( 182) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0033784 k( 183) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0033784 k( 184) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0033784 k( 185) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0033784 k( 186) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033784 k( 187) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0033784 k( 188) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0033784 k( 189) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0033784 k( 190) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0033784 k( 191) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0033784 k( 192) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0033784 k( 193) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 194) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 195) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0033784 k( 196) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0033784 k( 197) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0033784 k( 198) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0033784 k( 199) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0033784 k( 200) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0033784 k( 201) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033784 k( 202) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0033784 k( 203) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0033784 k( 204) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0033784 k( 205) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0033784 k( 206) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0033784 k( 207) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0033784 k( 208) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033784 k( 209) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0033784 k( 210) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0033784 k( 211) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0033784 k( 212) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0033784 k( 213) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0033784 k( 214) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0033784 k( 215) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033784 k( 216) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0033784 k( 217) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0033784 k( 218) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0033784 k( 219) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0033784 k( 220) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0033784 k( 221) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0033784 k( 222) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033784 k( 223) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0033784 k( 224) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0033784 k( 225) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0033784 k( 226) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0033784 k( 227) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0033784 k( 228) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0033784 k( 229) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033784 k( 230) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0033784 k( 231) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0033784 k( 232) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0033784 k( 233) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0033784 k( 234) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0033784 k( 235) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0033784 k( 236) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 237) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 238) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0033784 k( 239) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0033784 k( 240) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0033784 k( 241) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0033784 k( 242) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0033784 k( 243) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0033784 k( 244) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0033784 k( 245) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0033784 k( 246) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0033784 k( 247) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0033784 k( 248) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0033784 k( 249) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0033784 k( 250) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0033784 k( 251) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0033784 k( 252) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0033784 k( 253) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0033784 k( 254) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0033784 k( 255) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0033784 k( 256) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0033784 k( 257) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0033784 k( 258) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0033784 k( 259) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0033784 k( 260) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0033784 k( 261) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0033784 k( 262) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0033784 k( 263) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0033784 k( 264) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0033784 k( 265) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0033784 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033784 k( 267) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 268) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0033784 k( 269) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0033784 k( 270) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0033784 k( 271) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0033784 k( 272) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0033784 k( 273) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0033784 k( 274) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0033784 k( 275) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0033784 k( 276) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0033784 k( 277) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0033784 k( 278) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0033784 k( 279) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0033784 k( 280) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0033784 k( 281) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0033784 k( 282) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0033784 k( 283) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0033784 k( 284) = ( 0.3333333 0.3333333 0.2931035), wk = 0.0033784 k( 285) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0033784 k( 286) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0033784 k( 287) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0033784 k( 288) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0033784 k( 289) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0033784 k( 290) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0033784 k( 291) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0033784 k( 292) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0033784 k( 293) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0033784 k( 294) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0033784 k( 295) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0033784 k( 296) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 Dense grid: 78299 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 34695 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 202, 58) NL pseudopotentials 0.19 Mb ( 101, 126) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1633) G-vector shells 0.01 Mb ( 771) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 202, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 Mb ( 126, 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 39.2 secs Computing kpt #: 2 total cpu time spent up to now is 41.4 secs Computing kpt #: 3 total cpu time spent up to now is 43.5 secs Computing kpt #: 4 total cpu time spent up to now is 46.2 secs Computing kpt #: 5 total cpu time spent up to now is 48.4 secs Computing kpt #: 6 total cpu time spent up to now is 50.7 secs Computing kpt #: 7 total cpu time spent up to now is 53.2 secs Computing kpt #: 8 total cpu time spent up to now is 55.6 secs Computing kpt #: 9 total cpu time spent up to now is 58.0 secs Computing kpt #: 10 total cpu time spent up to now is 60.4 secs Computing kpt #: 11 total cpu time spent up to now is 62.9 secs Computing kpt #: 12 total cpu time spent up to now is 65.3 secs Computing kpt #: 13 total cpu time spent up to now is 67.8 secs Computing kpt #: 14 total cpu time spent up to now is 70.4 secs Computing kpt #: 15 total cpu time spent up to now is 72.9 secs Computing kpt #: 16 total cpu time spent up to now is 75.5 secs Computing kpt #: 17 total cpu time spent up to now is 78.1 secs Computing kpt #: 18 total cpu time spent up to now is 80.8 secs Computing kpt #: 19 total cpu time spent up to now is 83.5 secs Computing kpt #: 20 total cpu time spent up to now is 86.4 secs Computing kpt #: 21 total cpu time spent up to now is 89.4 secs Computing kpt #: 22 total cpu time spent up to now is 92.8 secs Computing kpt #: 23 total cpu time spent up to now is 96.2 secs Computing kpt #: 24 total cpu time spent up to now is 99.4 secs Computing kpt #: 25 total cpu time spent up to now is 103.2 secs Computing kpt #: 26 total cpu time spent up to now is 106.8 secs Computing kpt #: 27 total cpu time spent up to now is 111.7 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.9 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.9 secs Computing kpt #: 30 total cpu time spent up to now is 124.8 secs Computing kpt #: 31 total cpu time spent up to now is 127.7 secs Computing kpt #: 32 total cpu time spent up to now is 130.6 secs Computing kpt #: 33 total cpu time spent up to now is 133.2 secs Computing kpt #: 34 total cpu time spent up to now is 136.0 secs Computing kpt #: 35 total cpu time spent up to now is 138.7 secs Computing kpt #: 36 total cpu time spent up to now is 141.3 secs Computing kpt #: 37 total cpu time spent up to now is 144.0 secs Computing kpt #: 38 total cpu time spent up to now is 146.7 secs Computing kpt #: 39 total cpu time spent up to now is 149.4 secs Computing kpt #: 40 total cpu time spent up to now is 152.1 secs Computing kpt #: 41 total cpu time spent up to now is 154.9 secs Computing kpt #: 42 total cpu time spent up to now is 157.6 secs Computing kpt #: 43 total cpu time spent up to now is 160.4 secs Computing kpt #: 44 total cpu time spent up to now is 163.1 secs Computing kpt #: 45 total cpu time spent up to now is 165.9 secs Computing kpt #: 46 total cpu time spent up to now is 168.6 secs Computing kpt #: 47 total cpu time spent up to now is 171.3 secs Computing kpt #: 48 total cpu time spent up to now is 174.1 secs Computing kpt #: 49 total cpu time spent up to now is 177.2 secs Computing kpt #: 50 total cpu time spent up to now is 180.1 secs Computing kpt #: 51 total cpu time spent up to now is 182.9 secs Computing kpt #: 52 total cpu time spent up to now is 185.9 secs Computing kpt #: 53 total cpu time spent up to now is 188.9 secs Computing kpt #: 54 total cpu time spent up to now is 192.1 secs Computing kpt #: 55 total cpu time spent up to now is 195.4 secs Computing kpt #: 56 total cpu time spent up to now is 198.5 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.6 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 208.6 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.7 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.8 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.8 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.9 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.9 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.9 secs Computing kpt #: 65 total cpu time spent up to now is 242.7 secs Computing kpt #: 66 total cpu time spent up to now is 246.5 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.7 secs Computing kpt #: 68 total cpu time spent up to now is 255.6 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.9 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.0 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.3 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.5 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.8 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.1 secs Computing kpt #: 75 total cpu time spent up to now is 291.4 secs Computing kpt #: 76 total cpu time spent up to now is 295.4 secs Computing kpt #: 77 total cpu time spent up to now is 298.5 secs Computing kpt #: 78 total cpu time spent up to now is 302.3 secs Computing kpt #: 79 total cpu time spent up to now is 305.2 secs Computing kpt #: 80 total cpu time spent up to now is 307.9 secs Computing kpt #: 81 total cpu time spent up to now is 310.6 secs Computing kpt #: 82 total cpu time spent up to now is 313.3 secs Computing kpt #: 83 total cpu time spent up to now is 316.0 secs Computing kpt #: 84 total cpu time spent up to now is 318.7 secs Computing kpt #: 85 total cpu time spent up to now is 321.5 secs Computing kpt #: 86 total cpu time spent up to now is 324.1 secs Computing kpt #: 87 total cpu time spent up to now is 326.7 secs Computing kpt #: 88 total cpu time spent up to now is 329.3 secs Computing kpt #: 89 total cpu time spent up to now is 331.7 secs Computing kpt #: 90 total cpu time spent up to now is 334.3 secs Computing kpt #: 91 total cpu time spent up to now is 336.8 secs Computing kpt #: 92 total cpu time spent up to now is 339.3 secs Computing kpt #: 93 total cpu time spent up to now is 341.7 secs Computing kpt #: 94 total cpu time spent up to now is 344.1 secs Computing kpt #: 95 total cpu time spent up to now is 346.7 secs Computing kpt #: 96 total cpu time spent up to now is 349.2 secs Computing kpt #: 97 total cpu time spent up to now is 351.5 secs Computing kpt #: 98 total cpu time spent up to now is 353.9 secs Computing kpt #: 99 total cpu time spent up to now is 356.1 secs Computing kpt #: 100 total cpu time spent up to now is 358.4 secs Computing kpt #: 101 total cpu time spent up to now is 360.6 secs Computing kpt #: 102 total cpu time spent up to now is 362.7 secs Computing kpt #: 103 total cpu time spent up to now is 364.9 secs Computing kpt #: 104 total cpu time spent up to now is 366.9 secs Computing kpt #: 105 total cpu time spent up to now is 369.0 secs Computing kpt #: 106 total cpu time spent up to now is 371.1 secs Computing kpt #: 107 total cpu time spent up to now is 373.2 secs Computing kpt #: 108 total cpu time spent up to now is 375.3 secs Computing kpt #: 109 total cpu time spent up to now is 377.5 secs Computing kpt #: 110 total cpu time spent up to now is 379.6 secs Computing kpt #: 111 total cpu time spent up to now is 382.0 secs Computing kpt #: 112 total cpu time spent up to now is 384.3 secs Computing kpt #: 113 total cpu time spent up to now is 386.7 secs Computing kpt #: 114 total cpu time spent up to now is 389.1 secs Computing kpt #: 115 total cpu time spent up to now is 391.5 secs Computing kpt #: 116 total cpu time spent up to now is 394.1 secs Computing kpt #: 117 total cpu time spent up to now is 396.6 secs Computing kpt #: 118 total cpu time spent up to now is 399.3 secs Computing kpt #: 119 total cpu time spent up to now is 402.1 secs Computing kpt #: 120 total cpu time spent up to now is 405.4 secs Computing kpt #: 121 total cpu time spent up to now is 408.8 secs Computing kpt #: 122 total cpu time spent up to now is 412.5 secs Computing kpt #: 123 total cpu time spent up to now is 416.8 secs Computing kpt #: 124 total cpu time spent up to now is 421.1 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.1 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.3 secs Computing kpt #: 127 total cpu time spent up to now is 434.8 secs Computing kpt #: 128 total cpu time spent up to now is 437.8 secs Computing kpt #: 129 total cpu time spent up to now is 440.6 secs Computing kpt #: 130 total cpu time spent up to now is 444.1 secs Computing kpt #: 131 total cpu time spent up to now is 446.8 secs Computing kpt #: 132 total cpu time spent up to now is 449.5 secs Computing kpt #: 133 total cpu time spent up to now is 452.2 secs Computing kpt #: 134 total cpu time spent up to now is 454.8 secs Computing kpt #: 135 total cpu time spent up to now is 457.6 secs Computing kpt #: 136 total cpu time spent up to now is 460.2 secs Computing kpt #: 137 total cpu time spent up to now is 462.9 secs Computing kpt #: 138 total cpu time spent up to now is 465.7 secs Computing kpt #: 139 total cpu time spent up to now is 468.4 secs Computing kpt #: 140 total cpu time spent up to now is 471.0 secs Computing kpt #: 141 total cpu time spent up to now is 473.6 secs Computing kpt #: 142 total cpu time spent up to now is 476.4 secs Computing kpt #: 143 total cpu time spent up to now is 479.1 secs Computing kpt #: 144 total cpu time spent up to now is 481.7 secs Computing kpt #: 145 total cpu time spent up to now is 484.4 secs Computing kpt #: 146 total cpu time spent up to now is 487.2 secs Computing kpt #: 147 total cpu time spent up to now is 489.8 secs Computing kpt #: 148 total cpu time spent up to now is 492.6 secs Computing kpt #: 149 total cpu time spent up to now is 495.3 secs Computing kpt #: 150 total cpu time spent up to now is 498.0 secs Computing kpt #: 151 total cpu time spent up to now is 500.6 secs Computing kpt #: 152 total cpu time spent up to now is 503.3 secs Computing kpt #: 153 total cpu time spent up to now is 506.3 secs Computing kpt #: 154 total cpu time spent up to now is 509.0 secs Computing kpt #: 155 total cpu time spent up to now is 511.7 secs Computing kpt #: 156 total cpu time spent up to now is 514.3 secs Computing kpt #: 157 total cpu time spent up to now is 516.9 secs Computing kpt #: 158 total cpu time spent up to now is 519.7 secs Computing kpt #: 159 total cpu time spent up to now is 522.3 secs Computing kpt #: 160 total cpu time spent up to now is 525.2 secs Computing kpt #: 161 total cpu time spent up to now is 528.6 secs Computing kpt #: 162 total cpu time spent up to now is 532.3 secs Computing kpt #: 163 total cpu time spent up to now is 536.3 secs Computing kpt #: 164 total cpu time spent up to now is 541.0 secs Computing kpt #: 165 total cpu time spent up to now is 545.4 secs Computing kpt #: 166 total cpu time spent up to now is 549.0 secs Computing kpt #: 167 total cpu time spent up to now is 552.4 secs Computing kpt #: 168 total cpu time spent up to now is 555.4 secs Computing kpt #: 169 total cpu time spent up to now is 558.3 secs Computing kpt #: 170 total cpu time spent up to now is 561.2 secs Computing kpt #: 171 total cpu time spent up to now is 563.8 secs Computing kpt #: 172 total cpu time spent up to now is 566.7 secs Computing kpt #: 173 total cpu time spent up to now is 569.5 secs Computing kpt #: 174 total cpu time spent up to now is 572.3 secs Computing kpt #: 175 total cpu time spent up to now is 575.1 secs Computing kpt #: 176 total cpu time spent up to now is 577.8 secs Computing kpt #: 177 total cpu time spent up to now is 580.5 secs Computing kpt #: 178 total cpu time spent up to now is 583.3 secs Computing kpt #: 179 total cpu time spent up to now is 586.3 secs Computing kpt #: 180 total cpu time spent up to now is 589.3 secs Computing kpt #: 181 total cpu time spent up to now is 592.1 secs Computing kpt #: 182 total cpu time spent up to now is 595.1 secs Computing kpt #: 183 total cpu time spent up to now is 597.9 secs Computing kpt #: 184 total cpu time spent up to now is 600.9 secs Computing kpt #: 185 total cpu time spent up to now is 603.8 secs Computing kpt #: 186 total cpu time spent up to now is 607.0 secs Computing kpt #: 187 total cpu time spent up to now is 610.6 secs Computing kpt #: 188 total cpu time spent up to now is 614.1 secs Computing kpt #: 189 total cpu time spent up to now is 618.2 secs Computing kpt #: 190 total cpu time spent up to now is 622.4 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 627.6 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 632.9 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 638.1 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.4 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 648.7 secs Computing kpt #: 196 total cpu time spent up to now is 653.8 secs Computing kpt #: 197 total cpu time spent up to now is 658.5 secs Computing kpt #: 198 total cpu time spent up to now is 662.2 secs Computing kpt #: 199 total cpu time spent up to now is 665.9 secs Computing kpt #: 200 total cpu time spent up to now is 669.5 secs Computing kpt #: 201 total cpu time spent up to now is 673.3 secs Computing kpt #: 202 total cpu time spent up to now is 677.0 secs Computing kpt #: 203 total cpu time spent up to now is 680.6 secs Computing kpt #: 204 total cpu time spent up to now is 684.3 secs Computing kpt #: 205 total cpu time spent up to now is 688.2 secs Computing kpt #: 206 total cpu time spent up to now is 691.8 secs Computing kpt #: 207 total cpu time spent up to now is 695.4 secs Computing kpt #: 208 total cpu time spent up to now is 698.9 secs Computing kpt #: 209 total cpu time spent up to now is 702.0 secs Computing kpt #: 210 total cpu time spent up to now is 704.6 secs Computing kpt #: 211 total cpu time spent up to now is 707.4 secs Computing kpt #: 212 total cpu time spent up to now is 710.2 secs Computing kpt #: 213 total cpu time spent up to now is 712.9 secs Computing kpt #: 214 total cpu time spent up to now is 715.6 secs Computing kpt #: 215 total cpu time spent up to now is 718.3 secs Computing kpt #: 216 total cpu time spent up to now is 721.1 secs Computing kpt #: 217 total cpu time spent up to now is 723.9 secs Computing kpt #: 218 total cpu time spent up to now is 726.6 secs Computing kpt #: 219 total cpu time spent up to now is 729.2 secs Computing kpt #: 220 total cpu time spent up to now is 731.8 secs Computing kpt #: 221 total cpu time spent up to now is 734.3 secs Computing kpt #: 222 total cpu time spent up to now is 736.7 secs Computing kpt #: 223 total cpu time spent up to now is 739.2 secs Computing kpt #: 224 total cpu time spent up to now is 741.9 secs Computing kpt #: 225 total cpu time spent up to now is 744.4 secs Computing kpt #: 226 total cpu time spent up to now is 747.2 secs Computing kpt #: 227 total cpu time spent up to now is 749.8 secs Computing kpt #: 228 total cpu time spent up to now is 752.3 secs Computing kpt #: 229 total cpu time spent up to now is 754.9 secs Computing kpt #: 230 total cpu time spent up to now is 757.4 secs Computing kpt #: 231 total cpu time spent up to now is 760.2 secs Computing kpt #: 232 total cpu time spent up to now is 762.9 secs Computing kpt #: 233 total cpu time spent up to now is 765.5 secs Computing kpt #: 234 total cpu time spent up to now is 768.2 secs Computing kpt #: 235 total cpu time spent up to now is 770.9 secs Computing kpt #: 236 total cpu time spent up to now is 774.0 secs Computing kpt #: 237 total cpu time spent up to now is 776.7 secs Computing kpt #: 238 total cpu time spent up to now is 779.5 secs Computing kpt #: 239 total cpu time spent up to now is 782.3 secs Computing kpt #: 240 total cpu time spent up to now is 785.1 secs Computing kpt #: 241 total cpu time spent up to now is 788.1 secs Computing kpt #: 242 total cpu time spent up to now is 791.4 secs Computing kpt #: 243 total cpu time spent up to now is 794.9 secs Computing kpt #: 244 total cpu time spent up to now is 798.5 secs Computing kpt #: 245 total cpu time spent up to now is 802.8 secs Computing kpt #: 246 total cpu time spent up to now is 807.1 secs Computing kpt #: 247 total cpu time spent up to now is 811.3 secs Computing kpt #: 248 total cpu time spent up to now is 814.8 secs Computing kpt #: 249 total cpu time spent up to now is 818.4 secs Computing kpt #: 250 total cpu time spent up to now is 821.9 secs Computing kpt #: 251 total cpu time spent up to now is 825.3 secs Computing kpt #: 252 total cpu time spent up to now is 828.3 secs Computing kpt #: 253 total cpu time spent up to now is 831.4 secs Computing kpt #: 254 total cpu time spent up to now is 834.4 secs Computing kpt #: 255 total cpu time spent up to now is 837.5 secs Computing kpt #: 256 total cpu time spent up to now is 840.5 secs Computing kpt #: 257 total cpu time spent up to now is 843.8 secs Computing kpt #: 258 total cpu time spent up to now is 846.7 secs Computing kpt #: 259 total cpu time spent up to now is 849.6 secs Computing kpt #: 260 total cpu time spent up to now is 852.5 secs Computing kpt #: 261 total cpu time spent up to now is 855.3 secs Computing kpt #: 262 total cpu time spent up to now is 858.0 secs Computing kpt #: 263 total cpu time spent up to now is 860.7 secs Computing kpt #: 264 total cpu time spent up to now is 863.4 secs Computing kpt #: 265 total cpu time spent up to now is 866.1 secs Computing kpt #: 266 total cpu time spent up to now is 868.9 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 873.8 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 878.9 secs Computing kpt #: 269 total cpu time spent up to now is 882.4 secs Computing kpt #: 270 total cpu time spent up to now is 885.6 secs Computing kpt #: 271 total cpu time spent up to now is 888.8 secs Computing kpt #: 272 total cpu time spent up to now is 892.2 secs Computing kpt #: 273 total cpu time spent up to now is 895.2 secs Computing kpt #: 274 total cpu time spent up to now is 898.2 secs Computing kpt #: 275 total cpu time spent up to now is 901.2 secs Computing kpt #: 276 total cpu time spent up to now is 904.3 secs Computing kpt #: 277 total cpu time spent up to now is 907.3 secs Computing kpt #: 278 total cpu time spent up to now is 910.3 secs Computing kpt #: 279 total cpu time spent up to now is 912.9 secs Computing kpt #: 280 total cpu time spent up to now is 915.6 secs Computing kpt #: 281 total cpu time spent up to now is 918.3 secs Computing kpt #: 282 total cpu time spent up to now is 920.9 secs Computing kpt #: 283 total cpu time spent up to now is 923.8 secs Computing kpt #: 284 total cpu time spent up to now is 926.5 secs Computing kpt #: 285 total cpu time spent up to now is 929.5 secs Computing kpt #: 286 total cpu time spent up to now is 933.0 secs Computing kpt #: 287 total cpu time spent up to now is 936.6 secs Computing kpt #: 288 total cpu time spent up to now is 940.7 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 945.7 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 950.8 secs Computing kpt #: 291 total cpu time spent up to now is 954.7 secs Computing kpt #: 292 total cpu time spent up to now is 958.7 secs Computing kpt #: 293 total cpu time spent up to now is 962.4 secs Computing kpt #: 294 total cpu time spent up to now is 966.3 secs Computing kpt #: 295 total cpu time spent up to now is 970.6 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 975.8 secs ethr = 2.08E-11, avg # of iterations = 54.6 total cpu time spent up to now is 976.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4337 PWs) bands (ev): -17.4505 -17.4505 -15.9114 -15.9114 -15.9113 -15.9113 -15.2892 -15.2892 -15.2343 -15.2343 -15.2301 -15.2301 -6.4433 -6.4433 -6.4431 -6.4431 -3.6333 -3.6333 -3.3514 -3.3514 -3.2648 -3.2648 -3.2575 -3.2575 -0.8339 -0.8339 -0.8167 -0.8167 -0.8142 -0.8142 -0.4579 -0.4579 0.3811 0.3811 0.4112 0.4112 0.4152 0.4152 1.1633 1.1633 1.1658 1.1658 1.6931 1.6931 1.7053 1.7053 1.9843 1.9843 8.1355 8.1355 11.4100 11.4100 11.4112 11.4112 11.6766 11.6766 11.6952 11.6952 k = 0.0135 0.0078-0.0000 ( 4363 PWs) bands (ev): -17.4500 -17.4500 -15.9121 -15.9121 -15.9114 -15.9112 -15.2893 -15.2891 -15.2344 -15.2344 -15.2302 -15.2301 -6.4436 -6.4434 -6.4418 -6.4418 -3.6333 -3.6331 -3.3554 -3.3524 -3.2653 -3.2632 -3.2562 -3.2554 -0.8338 -0.8336 -0.8191 -0.8168 -0.8146 -0.8142 -0.4564 -0.4545 0.3796 0.3810 0.4099 0.4109 0.4142 0.4146 1.1622 1.1623 1.1649 1.1649 1.6941 1.6942 1.7062 1.7065 1.9830 1.9830 8.1381 8.1381 11.4093 11.4099 11.4114 11.4121 11.6776 11.6777 11.6962 11.6962 k = 0.0270 0.0156-0.0000 ( 4373 PWs) bands (ev): -17.4484 -17.4484 -15.9144 -15.9143 -15.9114 -15.9110 -15.2894 -15.2889 -15.2346 -15.2346 -15.2304 -15.2303 -6.4446 -6.4443 -6.4378 -6.4377 -3.6329 -3.6325 -3.3629 -3.3577 -3.2662 -3.2648 -3.2501 -3.2466 -0.8333 -0.8329 -0.8255 -0.8214 -0.8132 -0.8131 -0.4500 -0.4463 0.3767 0.3792 0.4071 0.4075 0.4119 0.4141 1.1588 1.1596 1.1621 1.1628 1.6971 1.6974 1.7095 1.7098 1.9791 1.9792 8.1462 8.1462 11.4074 11.4100 11.4117 11.4145 11.6803 11.6809 11.6994 11.6998 k = 0.0405 0.0234-0.0000 ( 4371 PWs) bands (ev): -17.4458 -17.4458 -15.9182 -15.9179 -15.9112 -15.9108 -15.2894 -15.2886 -15.2350 -15.2349 -15.2308 -15.2306 -6.4463 -6.4457 -6.4312 -6.4310 -3.6323 -3.6317 -3.3725 -3.3659 -3.2697 -3.2688 -3.2387 -3.2336 -0.8363 -0.8337 -0.8307 -0.8284 -0.8108 -0.8106 -0.4393 -0.4340 0.3718 0.3749 0.4013 0.4026 0.4094 0.4139 1.1531 1.1548 1.1581 1.1596 1.7015 1.7024 1.7151 1.7152 1.9728 1.9729 8.1597 8.1597 11.4048 11.4091 11.4135 11.4182 11.6839 11.6859 11.7051 11.7067 k = 0.0541 0.0312-0.0000 ( 4369 PWs) bands (ev): -17.4422 -17.4421 -15.9234 -15.9231 -15.9110 -15.9104 -15.2893 -15.2883 -15.2355 -15.2354 -15.2313 -15.2310 -6.4486 -6.4478 -6.4218 -6.4216 -3.6313 -3.6306 -3.3829 -3.3756 -3.2753 -3.2746 -3.2240 -3.2180 -0.8485 -0.8426 -0.8293 -0.8293 -0.8074 -0.8070 -0.4249 -0.4183 0.3639 0.3668 0.3937 0.3973 0.4071 0.4135 1.1454 1.1479 1.1532 1.1554 1.7071 1.7089 1.7225 1.7233 1.9641 1.9643 8.1784 8.1784 11.4014 11.4071 11.4169 11.4231 11.6882 11.6918 11.7141 11.7172 k = 0.0676 0.0390-0.0000 ( 4349 PWs) bands (ev): -17.4375 -17.4375 -15.9301 -15.9297 -15.9108 -15.9100 -15.2892 -15.2879 -15.2361 -15.2359 -15.2319 -15.2315 -6.4515 -6.4505 -6.4099 -6.4097 -3.6302 -3.6292 -3.3935 -3.3857 -3.2827 -3.2821 -3.2072 -3.2007 -0.8630 -0.8559 -0.8275 -0.8271 -0.8029 -0.8023 -0.4075 -0.3999 0.3521 0.3542 0.3861 0.3922 0.4049 0.4130 1.1361 1.1391 1.1475 1.1502 1.7135 1.7164 1.7318 1.7335 1.9532 1.9536 8.2023 8.2023 11.3974 11.4043 11.4220 11.4294 11.6932 11.6983 11.7264 11.7309 k = 0.0811 0.0468-0.0000 ( 4342 PWs) bands (ev): -17.4318 -17.4318 -15.9383 -15.9378 -15.9104 -15.9095 -15.2891 -15.2875 -15.2369 -15.2366 -15.2326 -15.2320 -6.4549 -6.4538 -6.3954 -6.3951 -3.6288 -3.6277 -3.4039 -3.3958 -3.2917 -3.2913 -3.1887 -3.1820 -0.8787 -0.8708 -0.8251 -0.8244 -0.7974 -0.7967 -0.3879 -0.3795 0.3358 0.3373 0.3790 0.3871 0.4027 0.4122 1.1255 1.1290 1.1411 1.1443 1.7208 1.7246 1.7424 1.7449 1.9405 1.9411 8.2313 8.2313 11.3928 11.4007 11.4287 11.4372 11.6992 11.7054 11.7420 11.7475 k = 0.0946 0.0546-0.0000 ( 4336 PWs) bands (ev): -17.4251 -17.4251 -15.9478 -15.9472 -15.9100 -15.9089 -15.2888 -15.2871 -15.2379 -15.2374 -15.2334 -15.2327 -6.4589 -6.4576 -6.3784 -6.3781 -3.6273 -3.6260 -3.4139 -3.4057 -3.3023 -3.3020 -3.1690 -3.1622 -0.8953 -0.8868 -0.8223 -0.8214 -0.7909 -0.7900 -0.3666 -0.3576 0.3155 0.3165 0.3721 0.3817 0.4007 0.4113 1.1139 1.1178 1.1343 1.1378 1.7287 1.7333 1.7535 1.7569 1.9264 1.9275 8.2653 8.2653 11.3877 11.3964 11.4372 11.4467 11.7064 11.7134 11.7604 11.7667 k = 0.1081 0.0624-0.0000 ( 4332 PWs) bands (ev): -17.4174 -17.4174 -15.9588 -15.9581 -15.9095 -15.9083 -15.2886 -15.2866 -15.2390 -15.2383 -15.2343 -15.2334 -6.4633 -6.4619 -6.3590 -6.3587 -3.6258 -3.6243 -3.4234 -3.4151 -3.3145 -3.3142 -3.1483 -3.1414 -0.9121 -0.9032 -0.8192 -0.8181 -0.7834 -0.7823 -0.3443 -0.3348 0.2918 0.2925 0.3651 0.3757 0.3989 0.4102 1.1015 1.1057 1.1272 1.1309 1.7371 1.7422 1.7638 1.7680 1.9122 1.9137 8.3040 8.3040 11.3822 11.3916 11.4477 11.4580 11.7149 11.7225 11.7812 11.7880 k = 0.1216 0.0702-0.0000 ( 4338 PWs) bands (ev): -17.4087 -17.4087 -15.9711 -15.9704 -15.9090 -15.9076 -15.2883 -15.2861 -15.2402 -15.2394 -15.2353 -15.2341 -6.4683 -6.4667 -6.3373 -6.3369 -3.6242 -3.6226 -3.4323 -3.4240 -3.3282 -3.3279 -3.1266 -3.1198 -0.9290 -0.9197 -0.8158 -0.8145 -0.7749 -0.7736 -0.3213 -0.3114 0.2651 0.2656 0.3575 0.3689 0.3971 0.4090 1.0888 1.0932 1.1200 1.1240 1.7458 1.7511 1.7713 1.7760 1.8997 1.9018 8.3474 8.3474 11.3764 11.3863 11.4603 11.4712 11.7247 11.7328 11.8041 11.8113 k = 0.1351 0.0780-0.0000 ( 4342 PWs) bands (ev): -17.3990 -17.3990 -15.9847 -15.9840 -15.9083 -15.9069 -15.2879 -15.2856 -15.2415 -15.2405 -15.2363 -15.2350 -6.4736 -6.4719 -6.3133 -6.3128 -3.6227 -3.6210 -3.4406 -3.4322 -3.3433 -3.3430 -3.1041 -3.0974 -0.9456 -0.9360 -0.8122 -0.8107 -0.7654 -0.7639 -0.2979 -0.2878 0.2358 0.2362 0.3494 0.3613 0.3955 0.4078 1.0758 1.0803 1.1129 1.1171 1.7547 1.7590 1.7738 1.7777 1.8921 1.8946 8.3953 8.3953 11.3706 11.3808 11.4749 11.4864 11.7360 11.7442 11.8288 11.8362 k = 0.1486 0.0858-0.0000 ( 4334 PWs) bands (ev): -17.3884 -17.3884 -15.9996 -15.9988 -15.9077 -15.9061 -15.2875 -15.2850 -15.2429 -15.2417 -15.2374 -15.2358 -6.4793 -6.4776 -6.2871 -6.2867 -3.6213 -3.6195 -3.4481 -3.4398 -3.3598 -3.3595 -3.0809 -3.0743 -0.9617 -0.9519 -0.8085 -0.8068 -0.7549 -0.7532 -0.2746 -0.2642 0.2043 0.2046 0.3406 0.3528 0.3939 0.4065 1.0628 1.0674 1.1062 1.1104 1.7597 1.7632 1.7704 1.7747 1.8924 1.8947 8.4474 8.4474 11.3648 11.3752 11.4917 11.5036 11.7485 11.7568 11.8550 11.8626 k = 0.1622 0.0936-0.0000 ( 4336 PWs) bands (ev): -17.3768 -17.3768 -16.0157 -16.0149 -15.9069 -15.9053 -15.2871 -15.2844 -15.2443 -15.2430 -15.2385 -15.2368 -6.4854 -6.4835 -6.2590 -6.2585 -3.6201 -3.6183 -3.4549 -3.4467 -3.3777 -3.3773 -3.0570 -3.0506 -0.9772 -0.9673 -0.8048 -0.8029 -0.7434 -0.7415 -0.2515 -0.2410 0.1709 0.1711 0.3311 0.3435 0.3923 0.4052 1.0499 1.0546 1.1000 1.1042 1.7453 1.7528 1.7726 1.7815 1.9002 1.9019 8.5035 8.5035 11.3592 11.3698 11.5106 11.5229 11.7622 11.7705 11.8826 11.8902 k = 0.1757 0.1014-0.0000 ( 4336 PWs) bands (ev): -17.3643 -17.3643 -16.0330 -16.0322 -15.9061 -15.9044 -15.2866 -15.2838 -15.2458 -15.2443 -15.2396 -15.2378 -6.4917 -6.4897 -6.2289 -6.2284 -3.6191 -3.6173 -3.4609 -3.4529 -3.3967 -3.3963 -3.0325 -3.0262 -0.9919 -0.9819 -0.8012 -0.7990 -0.7309 -0.7289 -0.2288 -0.2183 0.1359 0.1361 0.3208 0.3334 0.3908 0.4039 1.0374 1.0421 1.0944 1.0986 1.7227 1.7293 1.7810 1.7897 1.9131 1.9142 8.5635 8.5635 11.3539 11.3645 11.5317 11.5442 11.7771 11.7852 11.9112 11.9188 k = 0.1892 0.1092-0.0000 ( 4328 PWs) bands (ev): -17.3510 -17.3509 -16.0514 -16.0506 -15.9053 -15.9035 -15.2861 -15.2832 -15.2473 -15.2456 -15.2408 -15.2388 -6.4982 -6.4962 -6.1971 -6.1966 -3.6184 -3.6166 -3.4663 -3.4583 -3.4169 -3.4164 -3.0075 -3.0015 -1.0058 -0.9957 -0.7977 -0.7953 -0.7175 -0.7153 -0.2070 -0.1964 0.0998 0.1000 0.3097 0.3225 0.3894 0.4027 1.0253 1.0299 1.0895 1.0938 1.6952 1.7012 1.7890 1.7977 1.9288 1.9294 8.6270 8.6270 11.3491 11.3597 11.5548 11.5675 11.7929 11.8008 11.9408 11.9483 k = 0.2027 0.1170-0.0000 ( 4328 PWs) bands (ev): -17.3367 -17.3367 -16.0709 -16.0701 -15.9045 -15.9026 -15.2855 -15.2825 -15.2488 -15.2470 -15.2419 -15.2399 -6.5050 -6.5029 -6.1637 -6.1631 -3.6181 -3.6163 -3.4710 -3.4631 -3.4382 -3.4375 -2.9822 -2.9763 -1.0187 -1.0086 -0.7945 -0.7918 -0.7032 -0.7008 -0.1861 -0.1757 0.0629 0.0632 0.2979 0.3107 0.3880 0.4015 1.0137 1.0182 1.0856 1.0897 1.6644 1.6700 1.7966 1.8053 1.9460 1.9461 8.6938 8.6939 11.3449 11.3553 11.5799 11.5926 11.8095 11.8170 11.9712 11.9784 k = 0.2162 0.1248-0.0000 ( 4324 PWs) bands (ev): -17.3217 -17.3216 -16.0914 -16.0905 -15.9036 -15.9017 -15.2850 -15.2819 -15.2504 -15.2484 -15.2431 -15.2410 -6.5118 -6.5097 -6.1288 -6.1282 -3.6180 -3.6163 -3.4756 -3.4672 -3.4605 -3.4589 -2.9565 -2.9508 -1.0306 -1.0204 -0.7916 -0.7886 -0.6879 -0.6853 -0.1667 -0.1567 0.0261 0.0265 0.2854 0.2982 0.3868 0.4004 1.0027 1.0071 1.0825 1.0866 1.6312 1.6365 1.8035 1.8123 1.9637 1.9638 8.7637 8.7638 11.3412 11.3515 11.6069 11.6196 11.8267 11.8338 12.0021 12.0091 k = 0.2297 0.1326-0.0000 ( 4316 PWs) bands (ev): -17.3058 -17.3058 -16.1127 -16.1119 -15.9027 -15.9007 -15.2844 -15.2812 -15.2519 -15.2498 -15.2443 -15.2421 -6.5187 -6.5166 -6.0927 -6.0921 -3.6183 -3.6167 -3.4864 -3.4838 -3.4743 -3.4704 -2.9306 -2.9251 -1.0414 -1.0313 -0.7893 -0.7860 -0.6718 -0.6690 -0.1498 -0.1405 -0.0096 -0.0087 0.2721 0.2850 0.3857 0.3994 0.9923 0.9965 1.0804 1.0844 1.5961 1.6013 1.8099 1.8186 1.9815 1.9818 8.8365 8.8365 11.3381 11.3482 11.6356 11.6482 11.8443 11.8510 12.0335 12.0402 k = 0.2432 0.1404-0.0000 ( 4320 PWs) bands (ev): -17.2892 -17.2892 -16.1349 -16.1341 -15.9017 -15.8998 -15.2838 -15.2805 -15.2534 -15.2512 -15.2455 -15.2432 -6.5257 -6.5236 -6.0555 -6.0548 -3.6188 -3.6175 -3.5086 -3.5078 -3.4784 -3.4732 -2.9046 -2.8994 -1.0512 -1.0410 -0.7876 -0.7839 -0.6548 -0.6518 -0.1380 -0.1305 -0.0413 -0.0389 0.2581 0.2710 0.3848 0.3986 0.9827 0.9867 1.0793 1.0832 1.5596 1.5647 1.8156 1.8242 1.9993 1.9997 8.9117 8.9118 11.3356 11.3454 11.6657 11.6782 11.8621 11.8682 12.0652 12.0715 k = 0.2568 0.1482-0.0000 ( 4320 PWs) bands (ev): -17.2719 -17.2719 -16.1579 -16.1571 -15.9008 -15.8988 -15.2832 -15.2799 -15.2549 -15.2526 -15.2467 -15.2444 -6.5326 -6.5305 -6.0174 -6.0167 -3.6197 -3.6185 -3.5329 -3.5325 -3.4806 -3.4754 -2.8786 -2.8737 -1.0597 -1.0495 -0.7867 -0.7826 -0.6370 -0.6338 -0.1386 -0.1348 -0.0614 -0.0554 0.2435 0.2563 0.3841 0.3979 0.9738 0.9775 1.0793 1.0830 1.5220 1.5271 1.8205 1.8291 2.0169 2.0174 8.9892 8.9893 11.3334 11.3429 11.6972 11.7094 11.8799 11.8854 12.0971 12.1029 k = 0.2703 0.1560-0.0000 ( 4312 PWs) bands (ev): -17.2539 -17.2539 -16.1815 -16.1807 -15.8998 -15.8979 -15.2826 -15.2792 -15.2563 -15.2540 -15.2478 -15.2455 -6.5394 -6.5374 -5.9786 -5.9779 -3.6208 -3.6198 -3.5580 -3.5577 -3.4821 -3.4772 -2.8528 -2.8482 -1.0671 -1.0569 -0.7866 -0.7822 -0.6185 -0.6151 -0.1581 -0.1575 -0.0629 -0.0543 0.2283 0.2410 0.3836 0.3975 0.9656 0.9691 1.0802 1.0838 1.4837 1.4887 1.8248 1.8332 2.0341 2.0346 9.0687 9.0687 11.3314 11.3406 11.7296 11.7415 11.8975 11.9023 12.1291 12.1344 k = 0.2838 0.1638-0.0000 ( 4310 PWs) bands (ev): -17.2354 -17.2353 -16.2056 -16.2048 -15.8989 -15.8969 -15.2820 -15.2786 -15.2576 -15.2553 -15.2490 -15.2467 -6.5462 -6.5441 -5.9394 -5.9387 -3.6222 -3.6214 -3.5835 -3.5834 -3.4831 -3.4785 -2.8273 -2.8229 -1.0732 -1.0630 -0.7876 -0.7827 -0.5992 -0.5956 -0.1888 -0.1883 -0.0539 -0.0446 0.2125 0.2250 0.3834 0.3972 0.9582 0.9614 1.0820 1.0855 1.4449 1.4499 1.8283 1.8366 2.0508 2.0513 9.1498 9.1498 11.3293 11.3381 11.7628 11.7743 11.9147 11.9186 12.1611 12.1659 k = 0.2973 0.1716-0.0000 ( 4322 PWs) bands (ev): -17.2163 -17.2162 -16.2302 -16.2294 -15.8979 -15.8960 -15.2814 -15.2780 -15.2590 -15.2565 -15.2501 -15.2478 -6.5527 -6.5507 -5.9000 -5.8994 -3.6237 -3.6231 -3.6093 -3.6092 -3.4837 -3.4795 -2.8023 -2.7982 -1.0781 -1.0680 -0.7898 -0.7845 -0.5793 -0.5755 -0.2223 -0.2213 -0.0419 -0.0326 0.1961 0.2086 0.3835 0.3972 0.9516 0.9545 1.0847 1.0881 1.4059 1.4108 1.8312 1.8393 2.0667 2.0673 9.2322 9.2322 11.3267 11.3350 11.7963 11.8073 11.9312 11.9342 12.1930 12.1973 k = 0.3108 0.1794-0.0000 ( 4328 PWs) bands (ev): -17.1968 -17.1967 -16.2550 -16.2543 -15.8970 -15.8951 -15.2808 -15.2774 -15.2602 -15.2577 -15.2511 -15.2489 -6.5590 -6.5571 -5.8608 -5.8601 -3.6357 -3.6356 -3.6251 -3.6245 -3.4840 -3.4801 -2.7778 -2.7740 -1.0817 -1.0716 -0.7933 -0.7876 -0.5588 -0.5548 -0.2556 -0.2543 -0.0294 -0.0203 0.1794 0.1916 0.3840 0.3975 0.9458 0.9483 1.0882 1.0914 1.3670 1.3718 1.8334 1.8412 2.0820 2.0825 9.3156 9.3156 11.3231 11.3310 11.8298 11.8402 11.9468 11.9488 12.2249 12.2285 k = 0.3243 0.1872-0.0000 ( 4332 PWs) bands (ev): -17.1769 -17.1768 -16.2801 -16.2794 -15.8961 -15.8943 -15.2802 -15.2768 -15.2614 -15.2589 -15.2522 -15.2500 -6.5651 -6.5633 -5.8219 -5.8212 -3.6615 -3.6615 -3.6268 -3.6264 -3.4841 -3.4806 -2.7541 -2.7505 -1.0840 -1.0740 -0.7983 -0.7921 -0.5379 -0.5337 -0.2876 -0.2861 -0.0171 -0.0084 0.1622 0.1742 0.3847 0.3980 0.9408 0.9430 1.0922 1.0954 1.3284 1.3332 1.8350 1.8425 2.0964 2.0969 9.3996 9.3997 11.3180 11.3253 11.8629 11.8726 11.9616 11.9625 12.2565 12.2595 k = 0.3378 0.1951-0.0000 ( 4340 PWs) bands (ev): -17.1568 -17.1567 -16.3052 -16.3045 -15.8952 -15.8935 -15.2796 -15.2762 -15.2626 -15.2600 -15.2531 -15.2511 -6.5709 -6.5692 -5.7837 -5.7830 -3.6872 -3.6872 -3.6285 -3.6282 -3.4841 -3.4809 -2.7313 -2.7280 -1.0851 -1.0751 -0.8049 -0.7982 -0.5166 -0.5122 -0.3178 -0.3161 -0.0055 0.0027 0.1447 0.1565 0.3858 0.3988 0.9366 0.9384 1.0969 1.0998 1.2904 1.2951 1.8361 1.8433 2.1100 2.1105 9.4838 9.4839 11.3107 11.3174 11.8951 11.9041 11.9751 11.9755 12.2878 12.2901 k = 0.3514 0.2029-0.0000 ( 4332 PWs) bands (ev): -17.1365 -17.1364 -16.3301 -16.3295 -15.8943 -15.8927 -15.2790 -15.2757 -15.2636 -15.2610 -15.2541 -15.2521 -6.5764 -6.5747 -5.7465 -5.7459 -3.7124 -3.7124 -3.6301 -3.6300 -3.4839 -3.4811 -2.7095 -2.7065 -1.0848 -1.0749 -0.8130 -0.8059 -0.4951 -0.4905 -0.3456 -0.3437 0.0054 0.0131 0.1271 0.1385 0.3873 0.3998 0.9332 0.9347 1.1019 1.1047 1.2533 1.2579 1.8366 1.8434 2.1227 2.1231 9.5678 9.5678 11.3006 11.3067 11.9262 11.9344 11.9869 11.9887 12.3187 12.3203 k = 0.3649 0.2107-0.0000 ( 4340 PWs) bands (ev): -17.1164 -17.1163 -16.3547 -16.3542 -15.8935 -15.8920 -15.2785 -15.2752 -15.2646 -15.2620 -15.2549 -15.2531 -6.5815 -6.5799 -5.7106 -5.7100 -3.7369 -3.7369 -3.6317 -3.6317 -3.4837 -3.4812 -2.6890 -2.6863 -1.0832 -1.0735 -0.8229 -0.8153 -0.4735 -0.4687 -0.3708 -0.3689 0.0154 0.0225 0.1093 0.1203 0.3890 0.4011 0.9306 0.9318 1.1071 1.1098 1.2174 1.2218 1.8368 1.8432 2.1343 2.1348 9.6510 9.6510 11.2871 11.2926 11.9556 11.9630 11.9981 12.0013 12.3489 12.3499 k = 0.3784 0.2185-0.0000 ( 4346 PWs) bands (ev): -17.0964 -17.0963 -16.3788 -16.3783 -15.8928 -15.8914 -15.2779 -15.2748 -15.2655 -15.2629 -15.2557 -15.2540 -6.5862 -6.5847 -5.6765 -5.6760 -3.7604 -3.7604 -3.6332 -3.6332 -3.4834 -3.4812 -2.6699 -2.6674 -1.0804 -1.0707 -0.8342 -0.8264 -0.4521 -0.4471 -0.3931 -0.3913 0.0245 0.0311 0.0916 0.1022 0.3911 0.4026 0.9289 0.9297 1.1124 1.1149 1.1830 1.1870 1.8366 1.8425 2.1450 2.1454 9.7328 9.7329 11.2698 11.2746 11.9831 11.9896 12.0092 12.0138 12.3717 12.3785 k = 0.3919 0.2263-0.0000 ( 4344 PWs) bands (ev): -17.0769 -17.0768 -16.4020 -16.4015 -15.8921 -15.8908 -15.2774 -15.2744 -15.2662 -15.2637 -15.2564 -15.2548 -6.5904 -6.5891 -5.6445 -5.6440 -3.7827 -3.7826 -3.6347 -3.6346 -3.4831 -3.4812 -2.6522 -2.6501 -1.0762 -1.0667 -0.8470 -0.8389 -0.4315 -0.4260 -0.4120 -0.4107 0.0328 0.0387 0.0741 0.0841 0.3935 0.4042 0.9281 0.9287 1.1175 1.1200 1.1503 1.1539 1.8362 1.8416 2.1547 2.1550 9.8126 9.8127 11.2485 11.2527 12.0082 12.0138 12.0209 12.0267 12.3424 12.3543 k = 0.4054 0.2341-0.0000 ( 4350 PWs) bands (ev): -17.0582 -17.0581 -16.4241 -16.4237 -15.8914 -15.8903 -15.2769 -15.2740 -15.2669 -15.2645 -15.2570 -15.2556 -6.5942 -6.5931 -5.6150 -5.6145 -3.8033 -3.8033 -3.6360 -3.6359 -3.4828 -3.4811 -2.6363 -2.6344 -1.0709 -1.0615 -0.8608 -0.8526 -0.4307 -0.4281 -0.4089 -0.4049 0.0401 0.0454 0.0571 0.0665 0.3960 0.4059 0.9283 0.9286 1.1174 1.1227 1.1247 1.1250 1.8356 1.8404 2.1632 2.1636 9.8894 9.8895 11.2236 11.2272 12.0308 12.0324 12.0365 12.0404 12.3159 12.3283 k = 0.4189 0.2419-0.0000 ( 4358 PWs) bands (ev): -17.0405 -17.0404 -16.4448 -16.4444 -15.8908 -15.8899 -15.2765 -15.2738 -15.2675 -15.2652 -15.2575 -15.2563 -6.5976 -6.5966 -5.5883 -5.5879 -3.8221 -3.8220 -3.6371 -3.6370 -3.4825 -3.4811 -2.6221 -2.6205 -1.0644 -1.0552 -0.8755 -0.8672 -0.4442 -0.4421 -0.3896 -0.3853 0.0403 0.0469 0.0493 0.0512 0.3987 0.4075 0.9296 0.9297 1.0902 1.0936 1.1279 1.1294 1.8349 1.8391 2.1707 2.1710 9.9623 9.9624 11.1956 11.1986 12.0464 12.0505 12.0553 12.0554 12.2918 12.3046 k = 0.4324 0.2497-0.0000 ( 4346 PWs) bands (ev): -17.0243 -17.0242 -16.4635 -16.4632 -15.8903 -15.8895 -15.2760 -15.2736 -15.2679 -15.2658 -15.2579 -15.2569 -6.6004 -6.5996 -5.5650 -5.5646 -3.8386 -3.8386 -3.6381 -3.6380 -3.4822 -3.4811 -2.6099 -2.6086 -1.0568 -1.0480 -0.8904 -0.8823 -0.4555 -0.4537 -0.3712 -0.3671 0.0254 0.0333 0.0522 0.0559 0.4014 0.4090 0.9320 0.9321 1.0640 1.0669 1.1321 1.1335 1.8343 1.8378 2.1771 2.1773 10.0298 10.0299 11.1659 11.1683 12.0615 12.0676 12.0714 12.0716 12.2694 12.2823 k = 0.4459 0.2575-0.0000 ( 4342 PWs) bands (ev): -17.0101 -17.0100 -16.4799 -16.4796 -15.8899 -15.8892 -15.2756 -15.2735 -15.2682 -15.2664 -15.2583 -15.2575 -6.6028 -6.6021 -5.5453 -5.5450 -3.8527 -3.8526 -3.6389 -3.6388 -3.4820 -3.4811 -2.5997 -2.5987 -1.0484 -1.0402 -0.9051 -0.8973 -0.4644 -0.4630 -0.3546 -0.3508 0.0118 0.0185 0.0568 0.0598 0.4040 0.4103 0.9358 0.9359 1.0402 1.0426 1.1358 1.1370 1.8337 1.8366 2.1823 2.1825 10.0902 10.0903 11.1361 11.1380 12.0781 12.0821 12.0849 12.0883 12.2480 12.2609 k = 0.4595 0.2653-0.0000 ( 4348 PWs) bands (ev): -16.9982 -16.9981 -16.4934 -16.4932 -15.8895 -15.8890 -15.2752 -15.2735 -15.2684 -15.2669 -15.2585 -15.2579 -6.6046 -6.6041 -5.5295 -5.5293 -3.8639 -3.8639 -3.6396 -3.6395 -3.4817 -3.4811 -2.5917 -2.5909 -1.0396 -1.0322 -0.9187 -0.9116 -0.4711 -0.4700 -0.3404 -0.3372 0.0004 0.0058 0.0605 0.0627 0.4063 0.4112 0.9410 0.9411 1.0191 1.0210 1.1388 1.1397 1.8332 1.8354 2.1864 2.1866 10.1413 10.1414 11.1085 11.1099 12.0933 12.0951 12.0960 12.1064 12.2274 12.2400 k = 0.4730 0.2731-0.0000 ( 4340 PWs) bands (ev): -16.9893 -16.9892 -16.5035 -16.5033 -15.8892 -15.8889 -15.2748 -15.2736 -15.2684 -15.2673 -15.2587 -15.2583 -6.6058 -6.6055 -5.5181 -5.5179 -3.8721 -3.8721 -3.6400 -3.6399 -3.4816 -3.4811 -2.5858 -2.5853 -1.0310 -1.0250 -0.9301 -0.9243 -0.4757 -0.4750 -0.3292 -0.3269 -0.0081 -0.0043 0.0632 0.0647 0.4084 0.4117 0.9479 0.9479 1.0009 1.0023 1.1411 1.1417 1.8330 1.8345 2.1894 2.1895 10.1807 10.1807 11.0859 11.0869 12.1014 12.1026 12.1144 12.1248 12.2078 12.2197 k = 0.4865 0.2809-0.0000 ( 4344 PWs) bands (ev): -16.9837 -16.9837 -16.5097 -16.5097 -15.8890 -15.8888 -15.2744 -15.2738 -15.2683 -15.2677 -15.2587 -15.2585 -6.6066 -6.6064 -5.5111 -5.5110 -3.8771 -3.8771 -3.6403 -3.6402 -3.4814 -3.4812 -2.5823 -2.5820 -1.0238 -1.0203 -0.9374 -0.9340 -0.4784 -0.4780 -0.3219 -0.3207 -0.0132 -0.0112 0.0650 0.0658 0.4100 0.4117 0.9558 0.9560 0.9860 0.9869 1.1425 1.1428 1.8330 1.8337 2.1911 2.1912 10.2057 10.2057 11.0710 11.0715 12.1063 12.1069 12.1323 12.1409 12.1914 12.2008 k = 0.5000 0.2887-0.0000 ( 4344 PWs) bands (ev): -16.9818 -16.9818 -16.5118 -16.5118 -15.8889 -15.8889 -15.2741 -15.2741 -15.2680 -15.2680 -15.2587 -15.2587 -6.6068 -6.6068 -5.5087 -5.5087 -3.8788 -3.8788 -3.6403 -3.6403 -3.4813 -3.4813 -2.5810 -2.5810 -1.0197 -1.0197 -0.9389 -0.9389 -0.4791 -0.4791 -0.3190 -0.3190 -0.0142 -0.0142 0.0659 0.0659 0.4112 0.4112 0.9615 0.9615 0.9785 0.9785 1.1431 1.1431 1.8332 1.8332 2.1917 2.1917 10.2143 10.2143 11.0659 11.0659 12.1081 12.1081 12.1450 12.1450 12.1875 12.1875 k = 0.5000 0.2887-0.0000 ( 4344 PWs) bands (ev): -16.9818 -16.9818 -16.5118 -16.5118 -15.8889 -15.8889 -15.2741 -15.2741 -15.2680 -15.2680 -15.2587 -15.2587 -6.6068 -6.6068 -5.5087 -5.5087 -3.8788 -3.8788 -3.6403 -3.6403 -3.4813 -3.4813 -2.5810 -2.5810 -1.0197 -1.0197 -0.9389 -0.9389 -0.4791 -0.4791 -0.3190 -0.3190 -0.0142 -0.0142 0.0659 0.0659 0.4112 0.4112 0.9615 0.9615 0.9785 0.9785 1.1431 1.1431 1.8332 1.8332 2.1917 2.1917 10.2143 10.2143 11.0659 11.0659 12.1081 12.1081 12.1450 12.1450 12.1875 12.1875 k = 0.4921 0.3024-0.0000 ( 4344 PWs) bands (ev): -16.9812 -16.9812 -16.5124 -16.5123 -15.8892 -15.8890 -15.2742 -15.2740 -15.2680 -15.2679 -15.2587 -15.2586 -6.6074 -6.6072 -5.5066 -5.5063 -3.8850 -3.8846 -3.6364 -3.6361 -3.4813 -3.4811 -2.5806 -2.5805 -1.0197 -1.0191 -0.9389 -0.9385 -0.4821 -0.4807 -0.3171 -0.3156 -0.0149 -0.0147 0.0658 0.0661 0.4115 0.4122 0.9542 0.9545 0.9773 0.9777 1.1497 1.1501 1.8329 1.8337 2.1909 2.1917 10.2163 10.2164 11.0666 11.0667 12.0966 12.0975 12.1417 12.1428 12.1977 12.1981 k = 0.4841 0.3162-0.0000 ( 4340 PWs) bands (ev): -16.9795 -16.9794 -16.5139 -16.5137 -15.8900 -15.8897 -15.2742 -15.2739 -15.2678 -15.2677 -15.2588 -15.2586 -6.6091 -6.6087 -5.5002 -5.4995 -3.9018 -3.9011 -3.6254 -3.6249 -3.4811 -3.4807 -2.5793 -2.5792 -1.0190 -1.0177 -0.9385 -0.9377 -0.4890 -0.4864 -0.3104 -0.3077 -0.0167 -0.0162 0.0659 0.0664 0.4131 0.4146 0.9352 0.9357 0.9742 0.9750 1.1673 1.1681 1.8326 1.8342 2.1893 2.1907 10.2225 10.2227 11.0688 11.0689 12.0726 12.0738 12.1327 12.1344 12.2205 12.2211 k = 0.4762 0.3299-0.0000 ( 4340 PWs) bands (ev): -16.9767 -16.9766 -16.5165 -16.5162 -15.8913 -15.8908 -15.2741 -15.2737 -15.2675 -15.2674 -15.2588 -15.2585 -6.6118 -6.6112 -5.4893 -5.4884 -3.9269 -3.9260 -3.6097 -3.6090 -3.4806 -3.4800 -2.5773 -2.5770 -1.0176 -1.0158 -0.9378 -0.9365 -0.4989 -0.4955 -0.2996 -0.2960 -0.0195 -0.0188 0.0661 0.0669 0.4161 0.4183 0.9090 0.9096 0.9690 0.9702 1.1917 1.1927 1.8323 1.8348 2.1868 2.1889 10.2329 10.2332 11.0724 11.0726 12.0443 12.0456 12.1190 12.1211 12.2476 12.2481 k = 0.4683 0.3437-0.0000 ( 4340 PWs) bands (ev): -16.9727 -16.9725 -16.5201 -16.5197 -15.8930 -15.8924 -15.2740 -15.2736 -15.2671 -15.2669 -15.2588 -15.2585 -6.6153 -6.6146 -5.4743 -5.4731 -3.9580 -3.9569 -3.5917 -3.5909 -3.4800 -3.4792 -2.5743 -2.5740 -1.0157 -1.0132 -0.9366 -0.9350 -0.5107 -0.5069 -0.2857 -0.2816 -0.0232 -0.0224 0.0665 0.0674 0.4204 0.4233 0.8788 0.8793 0.9620 0.9636 1.2195 1.2207 1.8321 1.8353 2.1835 2.1863 10.2473 10.2477 11.0773 11.0776 12.0142 12.0155 12.1020 12.1045 12.2760 12.2766 k = 0.4603 0.3574-0.0000 ( 4344 PWs) bands (ev): -16.9676 -16.9674 -16.5247 -16.5242 -15.8951 -15.8944 -15.2739 -15.2733 -15.2666 -15.2664 -15.2589 -15.2584 -6.6197 -6.6188 -5.4552 -5.4538 -3.9933 -3.9921 -3.5730 -3.5722 -3.4792 -3.4782 -2.5706 -2.5702 -1.0131 -1.0101 -0.9352 -0.9332 -0.5238 -0.5197 -0.2696 -0.2651 -0.0277 -0.0268 0.0668 0.0679 0.4259 0.4295 0.8462 0.8467 0.9532 0.9552 1.2491 1.2504 1.8317 1.8356 2.1796 2.1830 10.2657 10.2662 11.0835 11.0839 11.9830 11.9844 12.0833 12.0860 12.3050 12.3054 k = 0.4524 0.3712-0.0000 ( 4348 PWs) bands (ev): -16.9613 -16.9611 -16.5304 -16.5298 -15.8976 -15.8967 -15.2738 -15.2731 -15.2660 -15.2658 -15.2589 -15.2584 -6.6246 -6.6237 -5.4322 -5.4306 -4.0319 -4.0306 -3.5547 -3.5537 -3.4782 -3.4770 -2.5662 -2.5657 -1.0101 -1.0065 -0.9336 -0.9312 -0.5374 -0.5332 -0.2517 -0.2471 -0.0329 -0.0319 0.0671 0.0683 0.4326 0.4368 0.8123 0.8127 0.9427 0.9450 1.2795 1.2808 1.8310 1.8356 2.1752 2.1791 10.2881 10.2886 11.0908 11.0912 11.9511 11.9525 12.0639 12.0668 12.3340 12.3344 k = 0.4444 0.3849-0.0000 ( 4350 PWs) bands (ev): -16.9540 -16.9537 -16.5371 -16.5364 -15.9002 -15.8993 -15.2737 -15.2729 -15.2653 -15.2651 -15.2589 -15.2584 -6.6300 -6.6290 -5.4056 -5.4038 -4.0730 -4.0716 -3.5372 -3.5362 -3.4770 -3.4756 -2.5611 -2.5606 -1.0067 -1.0025 -0.9318 -0.9290 -0.5512 -0.5470 -0.2324 -0.2279 -0.0387 -0.0377 0.0674 0.0686 0.4403 0.4451 0.7776 0.7779 0.9305 0.9333 1.3101 1.3115 1.8300 1.8351 2.1703 2.1747 10.3141 10.3147 11.0989 11.0994 11.9186 11.9200 12.0446 12.0477 12.3628 12.3631 k = 0.4365 0.3986-0.0000 ( 4336 PWs) bands (ev): -16.9455 -16.9452 -16.5449 -16.5442 -15.9030 -15.9020 -15.2735 -15.2726 -15.2646 -15.2644 -15.2589 -15.2583 -6.6358 -6.6347 -5.3755 -5.3735 -4.1161 -4.1146 -3.5212 -3.5200 -3.4756 -3.4741 -2.5553 -2.5548 -1.0029 -0.9982 -0.9299 -0.9267 -0.5649 -0.5608 -0.2120 -0.2075 -0.0448 -0.0439 0.0676 0.0687 0.4489 0.4543 0.7426 0.7428 0.9169 0.9201 1.3408 1.3422 1.8283 1.8339 2.1652 2.1700 10.3438 10.3445 11.1076 11.1082 11.8856 11.8870 12.0262 12.0294 12.3915 12.3916 k = 0.4286 0.4124-0.0000 ( 4340 PWs) bands (ev): -16.9360 -16.9357 -16.5538 -16.5531 -15.9060 -15.9049 -15.2733 -15.2724 -15.2639 -15.2637 -15.2589 -15.2583 -6.6417 -6.6406 -5.3423 -5.3401 -4.1610 -4.1594 -3.5067 -3.5055 -3.4740 -3.4723 -2.5491 -2.5486 -0.9988 -0.9936 -0.9279 -0.9244 -0.5782 -0.5742 -0.1905 -0.1861 -0.0513 -0.0504 0.0676 0.0687 0.4580 0.4640 0.7078 0.7078 0.9020 0.9055 1.3711 1.3726 1.8259 1.8318 2.1600 2.1651 10.3770 10.3776 11.1166 11.1173 11.8521 11.8535 12.0091 12.0124 12.4196 12.4197 k = 0.4206 0.4261-0.0000 ( 4330 PWs) bands (ev): -16.9253 -16.9250 -16.5638 -16.5630 -15.9089 -15.9078 -15.2731 -15.2721 -15.2631 -15.2630 -15.2588 -15.2582 -6.6476 -6.6465 -5.3060 -5.3038 -4.2073 -4.2056 -3.4939 -3.4925 -3.4723 -3.4704 -2.5425 -2.5419 -0.9945 -0.9888 -0.9261 -0.9222 -0.5909 -0.5872 -0.1681 -0.1639 -0.0579 -0.0571 0.0675 0.0686 0.4674 0.4740 0.6735 0.6737 0.8858 0.8897 1.4011 1.4026 1.8225 1.8286 2.1549 2.1601 10.4134 10.4141 11.1254 11.1261 11.8183 11.8197 11.9936 11.9969 12.4473 12.4473 k = 0.4127 0.4399-0.0000 ( 4322 PWs) bands (ev): -16.9136 -16.9133 -16.5750 -16.5741 -15.9118 -15.9107 -15.2729 -15.2718 -15.2625 -15.2624 -15.2587 -15.2581 -6.6534 -6.6523 -5.2671 -5.2647 -4.2549 -4.2531 -3.4829 -3.4814 -3.4703 -3.4683 -2.5356 -2.5350 -0.9901 -0.9840 -0.9245 -0.9203 -0.6029 -0.5994 -0.1448 -0.1409 -0.0645 -0.0638 0.0673 0.0683 0.4761 0.4832 0.6407 0.6410 0.8686 0.8728 1.4306 1.4321 1.8180 1.8241 2.1501 2.1554 10.4528 10.4535 11.1335 11.1343 11.7845 11.7858 11.9799 11.9832 12.4742 12.4743 k = 0.4048 0.4536-0.0000 ( 4322 PWs) bands (ev): -16.9009 -16.9005 -16.5872 -16.5864 -15.9146 -15.9135 -15.2726 -15.2716 -15.2620 -15.2619 -15.2585 -15.2580 -6.6590 -6.6579 -5.2256 -5.2232 -4.3036 -4.3017 -3.4740 -3.4723 -3.4678 -3.4657 -2.5286 -2.5281 -0.9856 -0.9791 -0.9232 -0.9186 -0.6140 -0.6108 -0.1208 -0.1171 -0.0710 -0.0704 0.0670 0.0679 0.4827 0.4901 0.6114 0.6117 0.8505 0.8550 1.4595 1.4610 1.8121 1.8181 2.1457 2.1509 10.4950 10.4958 11.1402 11.1410 11.7509 11.7521 11.9681 11.9714 12.5004 12.5006 k = 0.3968 0.4674-0.0000 ( 4314 PWs) bands (ev): -16.8871 -16.8867 -16.6006 -16.5997 -15.9172 -15.9162 -15.2724 -15.2714 -15.2616 -15.2613 -15.2582 -15.2578 -6.6642 -6.6632 -5.1819 -5.1794 -4.3532 -4.3514 -3.4683 -3.4661 -3.4637 -3.4618 -2.5217 -2.5211 -0.9811 -0.9742 -0.9223 -0.9174 -0.6241 -0.6213 -0.0967 -0.0931 -0.0768 -0.0761 0.0667 0.0675 0.4836 0.4907 0.5891 0.5895 0.8316 0.8365 1.4878 1.4893 1.8047 1.8105 2.1419 2.1468 10.5398 10.5406 11.1445 11.1453 11.7181 11.7193 11.9584 11.9616 12.5257 12.5261 k = 0.3889 0.4811-0.0000 ( 4308 PWs) bands (ev): -16.8724 -16.8719 -16.6150 -16.6141 -15.9195 -15.9186 -15.2721 -15.2711 -15.2613 -15.2609 -15.2580 -15.2577 -6.6690 -6.6680 -5.1361 -5.1336 -4.4038 -4.4019 -3.4653 -3.4629 -3.4583 -3.4564 -2.5149 -2.5144 -0.9765 -0.9693 -0.9219 -0.9167 -0.6332 -0.6307 -0.0851 -0.0844 -0.0684 -0.0664 0.0662 0.0669 0.4743 0.4799 0.5782 0.5803 0.8121 0.8174 1.5154 1.5169 1.7957 1.8011 2.1387 2.1432 10.5870 10.5877 11.1454 11.1462 11.6869 11.6880 11.9507 11.9537 12.5501 12.5506 k = 0.3810 0.4949-0.0000 ( 4306 PWs) bands (ev): -16.8567 -16.8562 -16.6305 -16.6297 -15.9216 -15.9207 -15.2719 -15.2710 -15.2611 -15.2606 -15.2577 -15.2575 -6.6733 -6.6724 -5.0885 -5.0860 -4.4552 -4.4532 -3.4629 -3.4603 -3.4538 -3.4518 -2.5086 -2.5081 -0.9720 -0.9645 -0.9222 -0.9166 -0.6412 -0.6391 -0.0897 -0.0895 -0.0438 -0.0415 0.0658 0.0664 0.4545 0.4583 0.5794 0.5834 0.7922 0.7978 1.5423 1.5437 1.7850 1.7900 2.1363 2.1402 10.6361 10.6368 11.1414 11.1422 11.6582 11.6592 11.9449 11.9478 12.5735 12.5741 k = 0.3730 0.5086-0.0000 ( 4300 PWs) bands (ev): -16.8400 -16.8395 -16.6471 -16.6462 -15.9233 -15.9226 -15.2717 -15.2708 -15.2609 -15.2604 -15.2575 -15.2573 -6.6770 -6.6762 -5.0393 -5.0368 -4.5072 -4.5052 -3.4607 -3.4579 -3.4505 -3.4483 -2.5028 -2.5023 -0.9675 -0.9597 -0.9231 -0.9173 -0.6480 -0.6463 -0.0945 -0.0943 -0.0186 -0.0165 0.0654 0.0659 0.4290 0.4317 0.5884 0.5937 0.7720 0.7779 1.5683 1.5697 1.7727 1.7770 2.1344 2.1378 10.6870 10.6876 11.1312 11.1320 11.6331 11.6340 11.9410 11.9435 12.5957 12.5963 k = 0.3651 0.5224-0.0000 ( 4296 PWs) bands (ev): -16.8224 -16.8219 -16.6646 -16.6638 -15.9248 -15.9241 -15.2714 -15.2707 -15.2607 -15.2603 -15.2574 -15.2571 -6.6800 -6.6794 -4.9886 -4.9861 -4.5599 -4.5578 -3.4585 -3.4556 -3.4484 -3.4461 -2.4977 -2.4973 -0.9629 -0.9549 -0.9248 -0.9188 -0.6536 -0.6522 -0.0986 -0.0984 0.0059 0.0078 0.0650 0.0655 0.4023 0.4043 0.6013 0.6075 0.7516 0.7578 1.5936 1.5949 1.7586 1.7623 2.1333 2.1360 10.7393 10.7399 11.1135 11.1142 11.6126 11.6133 11.9386 11.9408 12.6167 12.6174 k = 0.3571 0.5361-0.0000 ( 4304 PWs) bands (ev): -16.8040 -16.8034 -16.6831 -16.6823 -15.9258 -15.9254 -15.2712 -15.2706 -15.2605 -15.2602 -15.2573 -15.2570 -6.6824 -6.6820 -4.9367 -4.9343 -4.6131 -4.6110 -3.4564 -3.4534 -3.4474 -3.4449 -2.4934 -2.4932 -0.9584 -0.9500 -0.9273 -0.9211 -0.6579 -0.6569 -0.1020 -0.1018 0.0285 0.0300 0.0648 0.0652 0.3771 0.3786 0.6166 0.6234 0.7312 0.7377 1.6179 1.6192 1.7428 1.7459 2.1326 2.1347 10.7928 10.7934 11.0872 11.0878 11.5974 11.5979 11.9374 11.9393 12.6363 12.6370 k = 0.3492 0.5499-0.0000 ( 4302 PWs) bands (ev): -16.7847 -16.7840 -16.7024 -16.7017 -15.9266 -15.9263 -15.2710 -15.2706 -15.2604 -15.2602 -15.2573 -15.2569 -6.6842 -6.6838 -4.8838 -4.8814 -4.6668 -4.6647 -3.4545 -3.4513 -3.4473 -3.4446 -2.4902 -2.4900 -0.9538 -0.9451 -0.9305 -0.9242 -0.6610 -0.6604 -0.1045 -0.1043 0.0473 0.0485 0.0649 0.0653 0.3561 0.3570 0.6332 0.6406 0.7110 0.7177 1.6413 1.6425 1.7256 1.7280 2.1324 2.1337 10.8471 10.8476 11.0522 11.0527 11.5874 11.5877 11.9373 11.9386 12.6543 12.6551 k = 0.3413 0.5636-0.0000 ( 4302 PWs) bands (ev): -16.7645 -16.7639 -16.7226 -16.7219 -15.9270 -15.9268 -15.2709 -15.2706 -15.2603 -15.2602 -15.2573 -15.2569 -6.6852 -6.6850 -4.8301 -4.8277 -4.7209 -4.7188 -3.4528 -3.4495 -3.4478 -3.4450 -2.4882 -2.4881 -0.9495 -0.9401 -0.9342 -0.9282 -0.6628 -0.6625 -0.1059 -0.1058 0.0595 0.0605 0.0658 0.0661 0.3417 0.3422 0.6508 0.6588 0.6912 0.6979 1.6636 1.6646 1.7071 1.7090 2.1325 2.1332 10.9019 10.9024 11.0086 11.0090 11.5821 11.5822 11.9376 11.9383 12.6707 12.6714 k = 0.3333 0.5774-0.0000 ( 4302 PWs) bands (ev): -16.7443 -16.7430 -16.7429 -16.7429 -15.9271 -15.9271 -15.2707 -15.2707 -15.2602 -15.2602 -15.2573 -15.2568 -6.6854 -6.6854 -4.7796 -4.7752 -4.7715 -4.7715 -3.4519 -3.4484 -3.4484 -3.4455 -2.4875 -2.4875 -0.9471 -0.9365 -0.9365 -0.9313 -0.6633 -0.6633 -0.1064 -0.1064 0.0626 0.0635 0.0676 0.0676 0.3367 0.3367 0.6651 0.6759 0.6759 0.6805 1.6806 1.6806 1.6915 1.6937 2.1328 2.1328 10.9547 10.9555 10.9594 10.9594 11.5806 11.5806 11.9381 11.9381 12.6827 12.6832 k = 0.3333 0.5774-0.0000 ( 4302 PWs) bands (ev): -16.7443 -16.7430 -16.7429 -16.7429 -15.9271 -15.9271 -15.2707 -15.2707 -15.2602 -15.2602 -15.2573 -15.2568 -6.6854 -6.6854 -4.7796 -4.7752 -4.7715 -4.7715 -3.4519 -3.4484 -3.4484 -3.4455 -2.4875 -2.4875 -0.9471 -0.9365 -0.9365 -0.9313 -0.6633 -0.6633 -0.1064 -0.1064 0.0626 0.0635 0.0676 0.0676 0.3367 0.3367 0.6651 0.6759 0.6759 0.6805 1.6806 1.6806 1.6915 1.6937 2.1328 2.1328 10.9547 10.9555 10.9594 10.9594 11.5806 11.5806 11.9381 11.9381 12.6826 12.6826 k = 0.3254 0.5636-0.0000 ( 4298 PWs) bands (ev): -16.7652 -16.7646 -16.7219 -16.7212 -15.9270 -15.9268 -15.2709 -15.2706 -15.2602 -15.2602 -15.2573 -15.2568 -6.6852 -6.6850 -4.8305 -4.8282 -4.7205 -4.7185 -3.4530 -3.4493 -3.4479 -3.4447 -2.4882 -2.4881 -0.9499 -0.9403 -0.9340 -0.9275 -0.6628 -0.6625 -0.1060 -0.1058 0.0589 0.0593 0.0667 0.0668 0.3418 0.3423 0.6503 0.6589 0.6910 0.6985 1.6640 1.6641 1.7075 1.7089 2.1325 2.1331 10.8987 10.8991 11.0122 11.0125 11.5817 11.5819 11.9375 11.9383 12.6727 12.6731 k = 0.3175 0.5499-0.0000 ( 4302 PWs) bands (ev): -16.7874 -16.7868 -16.6995 -16.6988 -15.9267 -15.9263 -15.2711 -15.2706 -15.2604 -15.2603 -15.2571 -15.2568 -6.6842 -6.6838 -4.8855 -4.8832 -4.6653 -4.6633 -3.4553 -3.4515 -3.4468 -3.4435 -2.4905 -2.4903 -0.9560 -0.9468 -0.9288 -0.9215 -0.6608 -0.6603 -0.1046 -0.1042 0.0451 0.0452 0.0671 0.0677 0.3567 0.3575 0.6317 0.6403 0.7114 0.7194 1.6414 1.6417 1.7269 1.7280 2.1321 2.1333 10.8344 10.8347 11.0668 11.0670 11.5846 11.5849 11.9360 11.9377 12.6618 12.6630 k = 0.3095 0.5361-0.0000 ( 4310 PWs) bands (ev): -16.8102 -16.8097 -16.6765 -16.6758 -15.9261 -15.9255 -15.2713 -15.2706 -15.2605 -15.2605 -15.2569 -15.2568 -6.6825 -6.6820 -4.9408 -4.9385 -4.6099 -4.6081 -3.4582 -3.4543 -3.4458 -3.4423 -2.4944 -2.4941 -0.9633 -0.9541 -0.9226 -0.9149 -0.6573 -0.6567 -0.1024 -0.1017 0.0239 0.0242 0.0684 0.0693 0.3790 0.3802 0.6134 0.6222 0.7331 0.7414 1.6175 1.6183 1.7455 1.7465 2.1316 2.1334 10.7649 10.7652 11.1207 11.1208 11.5884 11.5888 11.9336 11.9361 12.6532 12.6554 k = 0.3016 0.5224-0.0000 ( 4310 PWs) bands (ev): -16.8334 -16.8329 -16.6529 -16.6521 -15.9253 -15.9246 -15.2716 -15.2706 -15.2609 -15.2607 -15.2567 -15.2566 -6.6800 -6.6794 -4.9962 -4.9939 -4.5546 -4.5528 -3.4615 -3.4573 -3.4449 -3.4414 -2.5000 -2.4994 -0.9714 -0.9621 -0.9158 -0.9079 -0.6523 -0.6515 -0.0995 -0.0983 -0.0019 -0.0015 0.0702 0.0715 0.4063 0.4077 0.5956 0.6046 0.7559 0.7646 1.5927 1.5939 1.7632 1.7641 2.1308 2.1331 10.6911 10.6914 11.1735 11.1735 11.5924 11.5928 11.9300 11.9334 12.6472 12.6505 k = 0.2937 0.5086-0.0000 ( 4306 PWs) bands (ev): -16.8570 -16.8565 -16.6287 -16.6278 -15.9242 -15.9234 -15.2720 -15.2707 -15.2613 -15.2609 -15.2566 -15.2561 -6.6770 -6.6761 -5.0516 -5.0494 -4.4994 -4.4978 -3.4649 -3.4606 -3.4443 -3.4408 -2.5072 -2.5065 -0.9799 -0.9705 -0.9087 -0.9006 -0.6454 -0.6445 -0.0959 -0.0942 -0.0305 -0.0300 0.0727 0.0743 0.4366 0.4384 0.5785 0.5877 0.7800 0.7889 1.5672 1.5689 1.7798 1.7806 2.1297 2.1324 10.6135 10.6137 11.2246 11.2248 11.5960 11.5965 11.9254 11.9297 12.6439 12.6482 k = 0.2857 0.4949-0.0000 ( 4300 PWs) bands (ev): -16.8809 -16.8805 -16.6039 -16.6031 -15.9231 -15.9220 -15.2724 -15.2708 -15.2618 -15.2612 -15.2564 -15.2556 -6.6732 -6.6722 -5.1072 -5.1050 -4.4446 -4.4430 -3.4685 -3.4640 -3.4440 -3.4404 -2.5161 -2.5153 -0.9888 -0.9792 -0.9013 -0.8931 -0.6368 -0.6358 -0.0919 -0.0896 -0.0607 -0.0601 0.0757 0.0779 0.4687 0.4707 0.5620 0.5715 0.8056 0.8148 1.5412 1.5433 1.7953 1.7960 2.1281 2.1312 10.5326 10.5328 11.2738 11.2741 11.5988 11.5995 11.9201 11.9252 12.6429 12.6483 k = 0.2778 0.4811-0.0000 ( 4306 PWs) bands (ev): -16.9050 -16.9046 -16.5787 -16.5779 -15.9218 -15.9206 -15.2728 -15.2711 -15.2622 -15.2615 -15.2561 -15.2551 -6.6689 -6.6677 -5.1626 -5.1605 -4.3903 -4.3888 -3.4722 -3.4674 -3.4441 -3.4405 -2.5268 -2.5258 -0.9978 -0.9880 -0.8938 -0.8855 -0.6262 -0.6251 -0.0935 -0.0923 -0.0860 -0.0836 0.0795 0.0823 0.5014 0.5038 0.5463 0.5559 0.8328 0.8422 1.5148 1.5172 1.8098 1.8104 2.1259 2.1294 10.4490 10.4492 11.3203 11.3209 11.6005 11.6014 11.9148 11.9205 12.6439 12.6502 k = 0.2698 0.4674-0.0000 ( 4310 PWs) bands (ev): -16.9292 -16.9289 -16.5531 -16.5523 -15.9204 -15.9191 -15.2733 -15.2713 -15.2627 -15.2617 -15.2557 -15.2545 -6.6639 -6.6626 -5.2180 -5.2159 -4.3365 -4.3352 -3.4758 -3.4708 -3.4445 -3.4408 -2.5392 -2.5379 -1.0068 -0.9968 -0.8863 -0.8779 -0.6134 -0.6123 -0.1241 -0.1232 -0.0826 -0.0789 0.0840 0.0875 0.5311 0.5340 0.5370 0.5413 0.8619 0.8714 1.4882 1.4908 1.8232 1.8236 2.1230 2.1269 10.3631 10.3633 11.3635 11.3644 11.6011 11.6020 11.9101 11.9163 12.6463 12.6535 k = 0.2619 0.4536-0.0000 ( 4316 PWs) bands (ev): -16.9535 -16.9532 -16.5272 -16.5263 -15.9190 -15.9175 -15.2738 -15.2716 -15.2630 -15.2619 -15.2553 -15.2539 -6.6584 -6.6570 -5.2732 -5.2712 -4.2836 -4.2824 -3.4793 -3.4741 -3.4452 -3.4415 -2.5532 -2.5517 -1.0156 -1.0054 -0.8790 -0.8705 -0.5985 -0.5974 -0.1557 -0.1548 -0.0783 -0.0738 0.0894 0.0936 0.5170 0.5271 0.5664 0.5692 0.8929 0.9026 1.4614 1.4643 1.8354 1.8358 2.1195 2.1237 10.2753 10.2755 11.4024 11.4038 11.6003 11.6014 11.9072 11.9136 12.6496 12.6576 k = 0.2540 0.4399-0.0000 ( 4316 PWs) bands (ev): -16.9778 -16.9776 -16.5009 -16.5000 -15.9176 -15.9159 -15.2744 -15.2720 -15.2634 -15.2621 -15.2549 -15.2532 -6.6524 -6.6508 -5.3282 -5.3262 -4.2316 -4.2304 -3.4826 -3.4772 -3.4463 -3.4426 -2.5688 -2.5671 -1.0240 -1.0136 -0.8720 -0.8635 -0.5815 -0.5802 -0.1871 -0.1860 -0.0743 -0.0689 0.0957 0.1007 0.5036 0.5138 0.5975 0.6006 0.9261 0.9359 1.4346 1.4377 1.8466 1.8467 2.1152 2.1196 10.1859 10.1861 11.4362 11.4382 11.5981 11.5995 11.9070 11.9134 12.6523 12.6584 k = 0.2460 0.4261-0.0000 ( 4324 PWs) bands (ev): -17.0021 -17.0018 -16.4744 -16.4735 -15.9161 -15.9144 -15.2749 -15.2724 -15.2636 -15.2622 -15.2544 -15.2525 -6.6458 -6.6441 -5.3829 -5.3810 -4.1805 -4.1796 -3.4857 -3.4801 -3.4476 -3.4440 -2.5859 -2.5840 -1.0318 -1.0214 -0.8654 -0.8569 -0.5623 -0.5608 -0.2178 -0.2166 -0.0707 -0.0645 0.1030 0.1087 0.4909 0.5013 0.6274 0.6306 0.9613 0.9711 1.4080 1.4113 1.8565 1.8566 2.1100 2.1147 10.0954 10.0955 11.4638 11.4666 11.5947 11.5963 11.9105 11.9166 12.6272 12.6279 k = 0.2381 0.4124-0.0000 ( 4334 PWs) bands (ev): -17.0262 -17.0259 -16.4478 -16.4468 -15.9147 -15.9128 -15.2755 -15.2728 -15.2637 -15.2622 -15.2538 -15.2518 -6.6389 -6.6370 -5.4373 -5.4353 -4.1307 -4.1298 -3.4885 -3.4828 -3.4493 -3.4457 -2.6045 -2.6024 -1.0391 -1.0285 -0.8593 -0.8509 -0.5414 -0.5396 -0.2476 -0.2461 -0.0679 -0.0608 0.1112 0.1178 0.4790 0.4896 0.6558 0.6592 0.9986 1.0084 1.3817 1.3852 1.8653 1.8653 2.1040 2.1089 10.0039 10.0041 11.4845 11.4883 11.5900 11.5919 11.9184 11.9240 12.5918 12.5925 k = 0.2302 0.3986-0.0000 ( 4338 PWs) bands (ev): -17.0501 -17.0499 -16.4210 -16.4200 -15.9134 -15.9114 -15.2761 -15.2733 -15.2638 -15.2621 -15.2532 -15.2510 -6.6315 -6.6295 -5.4911 -5.4893 -4.0821 -4.0814 -3.4910 -3.4851 -3.4512 -3.4476 -2.6244 -2.6220 -1.0455 -1.0348 -0.8538 -0.8455 -0.5193 -0.5172 -0.2756 -0.2737 -0.0659 -0.0580 0.1204 0.1277 0.4679 0.4787 0.6829 0.6864 1.0378 1.0475 1.3559 1.3595 1.8728 1.8729 2.0971 2.1021 9.9119 9.9120 11.4983 11.5032 11.5842 11.5865 11.9307 11.9356 12.5518 12.5526 k = 0.2222 0.3849-0.0000 ( 4342 PWs) bands (ev): -17.0737 -17.0735 -16.3942 -16.3932 -15.9121 -15.9100 -15.2768 -15.2738 -15.2636 -15.2618 -15.2525 -15.2503 -6.6237 -6.6217 -5.5445 -5.5427 -4.0349 -4.0343 -3.4932 -3.4870 -3.4533 -3.4498 -2.6456 -2.6429 -1.0511 -1.0403 -0.8488 -0.8406 -0.4973 -0.4947 -0.3007 -0.2983 -0.0649 -0.0563 0.1305 0.1386 0.4575 0.4685 0.7085 0.7121 1.0787 1.0883 1.3307 1.3344 1.8791 1.8794 2.0892 2.0944 9.8195 9.8197 11.5056 11.5115 11.5774 11.5801 11.9466 11.9507 12.5081 12.5088 k = 0.2143 0.3712-0.0000 ( 4338 PWs) bands (ev): -17.0970 -17.0968 -16.3674 -16.3664 -15.9109 -15.9087 -15.2774 -15.2744 -15.2634 -15.2615 -15.2519 -15.2495 -6.6157 -6.6135 -5.5972 -5.5955 -3.9893 -3.9888 -3.4949 -3.4886 -3.4555 -3.4520 -2.6678 -2.6650 -1.0557 -1.0448 -0.8443 -0.8363 -0.4781 -0.4747 -0.3202 -0.3172 -0.0651 -0.0559 0.1415 0.1502 0.4480 0.4592 0.7329 0.7366 1.1209 1.1304 1.3063 1.3101 1.8843 1.8847 2.0805 2.0857 9.7272 9.7273 11.5072 11.5142 11.5699 11.5730 11.9647 11.9679 12.4615 12.4621 k = 0.2063 0.3574-0.0000 ( 4334 PWs) bands (ev): -17.1199 -17.1197 -16.3407 -16.3397 -15.9099 -15.9076 -15.2781 -15.2750 -15.2630 -15.2610 -15.2511 -15.2487 -6.6073 -6.6051 -5.6493 -5.6476 -3.9453 -3.9450 -3.4962 -3.4897 -3.4578 -3.4544 -2.6911 -2.6880 -1.0592 -1.0482 -0.8404 -0.8326 -0.4664 -0.4625 -0.3292 -0.3257 -0.0665 -0.0568 0.1533 0.1626 0.4393 0.4507 0.7562 0.7599 1.1642 1.1735 1.2829 1.2867 1.8883 1.8888 2.0707 2.0761 9.6351 9.6352 11.5045 11.5124 11.5618 11.5653 11.9833 11.9856 12.4128 12.4133 k = 0.1984 0.3437-0.0000 ( 4338 PWs) bands (ev): -17.1424 -17.1422 -16.3142 -16.3132 -15.9089 -15.9066 -15.2788 -15.2756 -15.2624 -15.2603 -15.2504 -15.2479 -6.5988 -6.5964 -5.7005 -5.6989 -3.9031 -3.9029 -3.4971 -3.4904 -3.4600 -3.4566 -2.7152 -2.7118 -1.0615 -1.0505 -0.8370 -0.8294 -0.4672 -0.4634 -0.3225 -0.3191 -0.0693 -0.0592 0.1657 0.1755 0.4314 0.4429 0.7785 0.7823 1.2081 1.2174 1.2606 1.2643 1.8912 1.8918 2.0599 2.0654 9.5436 9.5437 11.4986 11.5073 11.5532 11.5572 12.0006 12.0020 12.3629 12.3632 k = 0.1905 0.3299-0.0000 ( 4340 PWs) bands (ev): -17.1643 -17.1642 -16.2879 -16.2869 -15.9081 -15.9058 -15.2794 -15.2762 -15.2617 -15.2596 -15.2496 -15.2470 -6.5900 -6.5876 -5.7509 -5.7494 -3.8630 -3.8629 -3.4975 -3.4907 -3.4619 -3.4587 -2.7401 -2.7364 -1.0626 -1.0516 -0.8340 -0.8267 -0.4795 -0.4763 -0.3012 -0.2985 -0.0736 -0.0631 0.1787 0.1888 0.4243 0.4360 0.8000 0.8039 1.2381 1.2431 1.2539 1.2617 1.8930 1.8936 2.0482 2.0537 9.4528 9.4529 11.4905 11.4998 11.5443 11.5489 12.0150 12.0154 12.3123 12.3124 k = 0.1825 0.3162-0.0000 ( 4340 PWs) bands (ev): -17.1858 -17.1857 -16.2620 -16.2609 -15.9074 -15.9051 -15.2801 -15.2769 -15.2608 -15.2587 -15.2488 -15.2462 -6.5812 -6.5787 -5.8003 -5.7989 -3.8250 -3.8250 -3.4974 -3.4904 -3.4633 -3.4603 -2.7656 -2.7617 -1.0625 -1.0514 -0.8315 -0.8245 -0.4982 -0.4957 -0.2711 -0.2691 -0.0794 -0.0686 0.1920 0.2025 0.4180 0.4298 0.8208 0.8248 1.2191 1.2234 1.2977 1.3061 1.8936 1.8943 2.0355 2.0411 9.3631 9.3632 11.4811 11.4908 11.5353 11.5404 12.0248 12.0253 12.2614 12.2619 k = 0.1746 0.3024-0.0000 ( 4336 PWs) bands (ev): -17.2066 -17.2065 -16.2364 -16.2353 -15.9069 -15.9045 -15.2808 -15.2775 -15.2598 -15.2576 -15.2479 -15.2453 -6.5722 -6.5698 -5.8486 -5.8473 -3.7896 -3.7894 -3.4968 -3.4896 -3.4640 -3.4612 -2.7915 -2.7874 -1.0611 -1.0499 -0.8294 -0.8227 -0.5199 -0.5178 -0.2362 -0.2346 -0.0869 -0.0759 0.2055 0.2164 0.4125 0.4245 0.8412 0.8452 1.2009 1.2052 1.3420 1.3504 1.8933 1.8939 2.0219 2.0275 9.2747 9.2748 11.4709 11.4810 11.5263 11.5320 12.0293 12.0308 12.2110 12.2120 k = 0.1667 0.2887-0.0000 ( 4336 PWs) bands (ev): -17.2269 -17.2268 -16.2113 -16.2102 -15.9065 -15.9041 -15.2815 -15.2782 -15.2587 -15.2565 -15.2471 -15.2444 -6.5632 -6.5608 -5.8958 -5.8945 -3.7570 -3.7565 -3.4956 -3.4882 -3.4638 -3.4612 -2.8179 -2.8134 -1.0583 -1.0472 -0.8277 -0.8212 -0.5426 -0.5409 -0.1984 -0.1972 -0.0960 -0.0848 0.2192 0.2303 0.4078 0.4199 0.8611 0.8652 1.1843 1.1886 1.3859 1.3943 1.8919 1.8925 2.0075 2.0130 9.1878 9.1879 11.4605 11.4709 11.5175 11.5237 12.0287 12.0310 12.1614 12.1629 k = 0.1587 0.2749-0.0000 ( 4332 PWs) bands (ev): -17.2464 -17.2463 -16.1867 -16.1856 -15.9062 -15.9039 -15.2822 -15.2789 -15.2574 -15.2553 -15.2462 -15.2436 -6.5543 -6.5518 -5.9417 -5.9405 -3.7274 -3.7267 -3.4939 -3.4863 -3.4621 -3.4598 -2.8444 -2.8397 -1.0543 -1.0431 -0.8263 -0.8202 -0.5656 -0.5640 -0.1589 -0.1579 -0.1067 -0.0955 0.2328 0.2442 0.4038 0.4161 0.8806 0.8849 1.1694 1.1738 1.4292 1.4374 1.8896 1.8902 1.9922 1.9977 9.1028 9.1028 11.4503 11.4609 11.5090 11.5158 12.0231 12.0261 12.1132 12.1152 k = 0.1508 0.2612-0.0000 ( 4325 PWs) bands (ev): -17.2652 -17.2652 -16.1628 -16.1617 -15.9061 -15.9038 -15.2828 -15.2796 -15.2561 -15.2539 -15.2453 -15.2427 -6.5453 -6.5429 -5.9862 -5.9850 -3.7014 -3.7005 -3.4916 -3.4839 -3.4585 -3.4566 -2.8711 -2.8662 -1.0489 -1.0377 -0.8253 -0.8194 -0.5882 -0.5868 -0.1211 -0.1176 -0.1164 -0.1079 0.2464 0.2579 0.4006 0.4130 0.8999 0.9043 1.1564 1.1608 1.4714 1.4796 1.8865 1.8870 1.9761 1.9816 9.0197 9.0197 11.4405 11.4513 11.5008 11.5082 12.0129 12.0165 12.0666 12.0692 k = 0.1429 0.2474-0.0000 ( 4319 PWs) bands (ev): -17.2833 -17.2833 -16.1395 -16.1384 -15.9061 -15.9038 -15.2835 -15.2803 -15.2546 -15.2525 -15.2443 -15.2418 -6.5366 -6.5341 -6.0292 -6.0281 -3.6792 -3.6781 -3.4888 -3.4808 -3.4528 -3.4513 -2.8978 -2.8926 -1.0421 -1.0310 -0.8245 -0.8190 -0.6102 -0.6090 -0.1336 -0.1221 -0.0768 -0.0765 0.2597 0.2714 0.3982 0.4106 0.9190 0.9235 1.1452 1.1496 1.5122 1.5204 1.8828 1.8830 1.9593 1.9647 8.9390 8.9390 11.4313 11.4422 11.4930 11.5011 11.9989 12.0025 12.0224 12.0251 k = 0.1349 0.2337-0.0000 ( 4315 PWs) bands (ev): -17.3006 -17.3006 -16.1170 -16.1160 -15.9062 -15.9039 -15.2841 -15.2809 -15.2531 -15.2510 -15.2433 -15.2409 -6.5279 -6.5255 -6.0706 -6.0696 -3.6613 -3.6598 -3.4853 -3.4772 -3.4446 -3.4434 -2.9244 -2.9190 -1.0341 -1.0230 -0.8240 -0.8188 -0.6315 -0.6304 -0.1493 -0.1379 -0.0355 -0.0353 0.2726 0.2845 0.3963 0.4089 0.9379 0.9425 1.1360 1.1404 1.5514 1.5597 1.8785 1.8786 1.9419 1.9472 8.8607 8.8607 11.4229 11.4339 11.4857 11.4945 11.9767 11.9817 11.9832 11.9889 k = 0.1270 0.2199-0.0000 ( 4317 PWs) bands (ev): -17.3171 -17.3171 -16.0953 -16.0943 -15.9064 -15.9042 -15.2848 -15.2816 -15.2515 -15.2495 -15.2424 -15.2400 -6.5195 -6.5171 -6.1104 -6.1095 -3.6474 -3.6458 -3.4811 -3.4729 -3.4339 -3.4331 -2.9508 -2.9452 -1.0247 -1.0137 -0.8238 -0.8188 -0.6519 -0.6509 -0.1666 -0.1553 0.0056 0.0058 0.2852 0.2972 0.3951 0.4076 0.9567 0.9613 1.1287 1.1332 1.5885 1.5969 1.8737 1.8743 1.9240 1.9291 8.7853 8.7853 11.4155 11.4264 11.4788 11.4882 11.9378 11.9437 11.9620 11.9684 k = 0.1190 0.2062-0.0000 ( 4317 PWs) bands (ev): -17.3327 -17.3327 -16.0746 -16.0736 -15.9066 -15.9046 -15.2853 -15.2823 -15.2498 -15.2480 -15.2414 -15.2391 -6.5113 -6.5090 -6.1483 -6.1475 -3.6375 -3.6356 -3.4764 -3.4681 -3.4209 -3.4204 -2.9770 -2.9711 -1.0142 -1.0032 -0.8237 -0.8191 -0.6714 -0.6705 -0.1854 -0.1741 0.0462 0.0462 0.2972 0.3093 0.3943 0.4069 0.9752 0.9799 1.1233 1.1278 1.6230 1.6317 1.8690 1.8702 1.9058 1.9105 8.7128 8.7128 11.4090 11.4199 11.4723 11.4824 11.9004 11.9069 11.9404 11.9470 k = 0.1111 0.1925-0.0000 ( 4315 PWs) bands (ev): -17.3475 -17.3474 -16.0548 -16.0538 -15.9070 -15.9050 -15.2859 -15.2830 -15.2482 -15.2464 -15.2404 -15.2382 -6.5034 -6.5012 -6.1844 -6.1836 -3.6307 -3.6288 -3.4710 -3.4626 -3.4063 -3.4060 -3.0028 -2.9967 -1.0024 -0.9915 -0.8239 -0.8196 -0.6898 -0.6890 -0.2054 -0.1943 0.0859 0.0859 0.3087 0.3209 0.3941 0.4067 0.9936 0.9983 1.1199 1.1244 1.6542 1.6632 1.8647 1.8670 1.8875 1.8916 8.6436 8.6436 11.4036 11.4144 11.4662 11.4769 11.8658 11.8729 11.9176 11.9243 k = 0.1032 0.1787-0.0000 ( 4323 PWs) bands (ev): -17.3613 -17.3613 -16.0361 -16.0351 -15.9074 -15.9055 -15.2864 -15.2836 -15.2465 -15.2449 -15.2394 -15.2374 -6.4959 -6.4938 -6.2185 -6.2178 -3.6266 -3.6247 -3.4649 -3.4565 -3.3907 -3.3905 -3.0281 -3.0219 -0.9895 -0.9788 -0.8242 -0.8203 -0.7071 -0.7064 -0.2266 -0.2156 0.1243 0.1244 0.3196 0.3318 0.3942 0.4068 1.0116 1.0164 1.1181 1.1226 1.6812 1.6905 1.8599 1.8656 1.8713 1.8725 8.5779 8.5779 11.3993 11.4099 11.4604 11.4716 11.8341 11.8419 11.8940 11.9009 k = 0.0952 0.1650-0.0000 ( 4327 PWs) bands (ev): -17.3743 -17.3742 -16.0185 -16.0176 -15.9078 -15.9060 -15.2869 -15.2843 -15.2449 -15.2435 -15.2384 -15.2365 -6.4887 -6.4867 -6.2505 -6.2498 -3.6244 -3.6225 -3.4582 -3.4497 -3.3746 -3.3746 -3.0530 -3.0465 -0.9756 -0.9650 -0.8247 -0.8211 -0.7232 -0.7226 -0.2487 -0.2379 0.1612 0.1613 0.3299 0.3419 0.3947 0.4072 1.0294 1.0341 1.1181 1.1225 1.7027 1.7124 1.8466 1.8533 1.8666 1.8672 8.5159 8.5160 11.3960 11.4065 11.4548 11.4664 11.8056 11.8139 11.8701 11.8771 k = 0.0873 0.1512-0.0000 ( 4337 PWs) bands (ev): -17.3862 -17.3862 -16.0020 -16.0012 -15.9083 -15.9066 -15.2874 -15.2849 -15.2434 -15.2421 -15.2373 -15.2357 -6.4819 -6.4800 -6.2803 -6.2797 -3.6237 -3.6218 -3.4508 -3.4424 -3.3587 -3.3586 -3.0772 -3.0706 -0.9608 -0.9504 -0.8253 -0.8220 -0.7382 -0.7376 -0.2715 -0.2609 0.1963 0.1965 0.3394 0.3514 0.3955 0.4078 1.0468 1.0514 1.1196 1.1239 1.7179 1.7276 1.8287 1.8343 1.8708 1.8726 8.4579 8.4579 11.3939 11.4040 11.4493 11.4612 11.7803 11.7890 11.8463 11.8533 k = 0.0794 0.1375-0.0000 ( 4337 PWs) bands (ev): -17.3972 -17.3972 -15.9868 -15.9860 -15.9087 -15.9072 -15.2878 -15.2855 -15.2419 -15.2408 -15.2363 -15.2349 -6.4756 -6.4738 -6.3078 -6.3073 -3.6239 -3.6221 -3.4429 -3.4344 -3.3433 -3.3432 -3.1008 -3.0941 -0.9452 -0.9351 -0.8260 -0.8231 -0.7520 -0.7514 -0.2948 -0.2844 0.2293 0.2297 0.3483 0.3600 0.3965 0.4086 1.0636 1.0682 1.1224 1.1266 1.7264 1.7356 1.8105 1.8156 1.8802 1.8822 8.4041 8.4041 11.3928 11.4026 11.4440 11.4558 11.7584 11.7674 11.8231 11.8300 k = 0.0714 0.1237-0.0000 ( 4331 PWs) bands (ev): -17.4072 -17.4072 -15.9728 -15.9721 -15.9092 -15.9078 -15.2882 -15.2860 -15.2405 -15.2396 -15.2353 -15.2341 -6.4697 -6.4681 -6.3330 -6.3325 -3.6247 -3.6231 -3.4342 -3.4258 -3.3288 -3.3286 -3.1236 -3.1168 -0.9290 -0.9191 -0.8268 -0.8242 -0.7644 -0.7639 -0.3182 -0.3082 0.2599 0.2604 0.3566 0.3678 0.3978 0.4095 1.0798 1.0842 1.1263 1.1304 1.7293 1.7375 1.7929 1.7974 1.8934 1.8952 8.3546 8.3546 11.3926 11.4020 11.4387 11.4503 11.7399 11.7487 11.8007 11.8074 k = 0.0635 0.1100-0.0000 ( 4327 PWs) bands (ev): -17.4162 -17.4162 -15.9602 -15.9595 -15.9096 -15.9084 -15.2885 -15.2865 -15.2392 -15.2385 -15.2344 -15.2334 -6.4644 -6.4630 -6.3557 -6.3553 -3.6259 -3.6244 -3.4250 -3.4167 -3.3153 -3.3151 -3.1457 -3.1388 -0.9124 -0.9029 -0.8277 -0.8254 -0.7756 -0.7751 -0.3415 -0.3318 0.2878 0.2884 0.3642 0.3748 0.3992 0.4105 1.0951 1.0993 1.1311 1.1350 1.7279 1.7351 1.7760 1.7801 1.9086 1.9099 8.3098 8.3098 11.3934 11.4023 11.4335 11.4446 11.7245 11.7330 11.7795 11.7859 k = 0.0556 0.0962-0.0000 ( 4335 PWs) bands (ev): -17.4242 -17.4242 -15.9490 -15.9484 -15.9101 -15.9090 -15.2888 -15.2870 -15.2381 -15.2376 -15.2335 -15.2327 -6.4596 -6.4583 -6.3759 -6.3756 -3.6273 -3.6260 -3.4153 -3.4070 -3.3032 -3.3029 -3.1668 -3.1599 -0.8957 -0.8867 -0.8286 -0.8266 -0.7854 -0.7850 -0.3641 -0.3550 0.3126 0.3135 0.3714 0.3810 0.4008 0.4114 1.1095 1.1134 1.1365 1.1401 1.7240 1.7301 1.7602 1.7637 1.9241 1.9251 8.2697 8.2697 11.3949 11.4032 11.4285 11.4388 11.7121 11.7199 11.7598 11.7658 k = 0.0476 0.0825-0.0000 ( 4349 PWs) bands (ev): -17.4311 -17.4311 -15.9391 -15.9386 -15.9104 -15.9095 -15.2890 -15.2875 -15.2371 -15.2367 -15.2327 -15.2321 -6.4554 -6.4543 -6.3936 -6.3933 -3.6287 -3.6276 -3.4050 -3.3969 -3.2925 -3.2921 -3.1869 -3.1801 -0.8792 -0.8708 -0.8295 -0.8279 -0.7938 -0.7934 -0.3858 -0.3773 0.3338 0.3351 0.3783 0.3866 0.4027 0.4122 1.1226 1.1262 1.1422 1.1454 1.7187 1.7236 1.7459 1.7487 1.9389 1.9395 8.2346 8.2346 11.3970 11.4045 11.4238 11.4330 11.7023 11.7091 11.7421 11.7474 k = 0.0397 0.0687-0.0000 ( 4349 PWs) bands (ev): -17.4370 -17.4370 -15.9308 -15.9303 -15.9108 -15.9100 -15.2892 -15.2879 -15.2362 -15.2360 -15.2319 -15.2315 -6.4518 -6.4509 -6.4087 -6.4084 -3.6301 -3.6291 -3.3944 -3.3866 -3.2833 -3.2828 -3.2057 -3.1992 -0.8634 -0.8557 -0.8305 -0.8292 -0.8007 -0.8004 -0.4059 -0.3982 0.3508 0.3529 0.3855 0.3917 0.4048 0.4130 1.1344 1.1375 1.1478 1.1506 1.7128 1.7165 1.7336 1.7355 1.9521 1.9525 8.2046 8.2046 11.3996 11.4062 11.4196 11.4275 11.6947 11.7003 11.7269 11.7312 k = 0.0317 0.0550-0.0000 ( 4367 PWs) bands (ev): -17.4419 -17.4419 -15.9238 -15.9235 -15.9110 -15.9104 -15.2893 -15.2883 -15.2355 -15.2354 -15.2313 -15.2310 -6.4488 -6.4480 -6.4211 -6.4209 -3.6313 -3.6305 -3.3836 -3.3763 -3.2757 -3.2751 -3.2230 -3.2169 -0.8488 -0.8420 -0.8315 -0.8305 -0.8062 -0.8060 -0.4237 -0.4171 0.3633 0.3661 0.3932 0.3969 0.4070 0.4135 1.1445 1.1470 1.1531 1.1554 1.7070 1.7093 1.7233 1.7244 1.9634 1.9636 8.1799 8.1799 11.4023 11.4078 11.4160 11.4225 11.6888 11.6927 11.7145 11.7176 k = 0.0238 0.0412-0.0000 ( 4367 PWs) bands (ev): -17.4456 -17.4456 -15.9184 -15.9182 -15.9112 -15.9107 -15.2894 -15.2886 -15.2350 -15.2349 -15.2308 -15.2306 -6.4464 -6.4458 -6.4307 -6.4306 -3.6322 -3.6316 -3.3730 -3.3664 -3.2700 -3.2691 -3.2380 -3.2328 -0.8360 -0.8324 -0.8318 -0.8304 -0.8103 -0.8102 -0.4386 -0.4333 0.3715 0.3746 0.4009 0.4024 0.4093 0.4139 1.1526 1.1544 1.1579 1.1595 1.7016 1.7028 1.7155 1.7157 1.9724 1.9726 8.1605 8.1605 11.4050 11.4093 11.4132 11.4181 11.6842 11.6863 11.7055 11.7071 k = 0.0159 0.0275-0.0000 ( 4369 PWs) bands (ev): -17.4483 -17.4483 -15.9145 -15.9144 -15.9114 -15.9110 -15.2894 -15.2889 -15.2346 -15.2346 -15.2304 -15.2303 -6.4447 -6.4443 -6.4376 -6.4376 -3.6329 -3.6325 -3.3633 -3.3580 -3.2663 -3.2649 -3.2498 -3.2462 -0.8332 -0.8328 -0.8258 -0.8217 -0.8131 -0.8130 -0.4497 -0.4460 0.3766 0.3791 0.4070 0.4073 0.4119 0.4141 1.1586 1.1595 1.1620 1.1627 1.6972 1.6975 1.7097 1.7099 1.9789 1.9790 8.1466 8.1466 11.4074 11.4100 11.4117 11.4146 11.6804 11.6811 11.6995 11.7000 k = 0.0079 0.0137-0.0000 ( 4361 PWs) bands (ev): -17.4499 -17.4499 -15.9122 -15.9121 -15.9114 -15.9112 -15.2893 -15.2891 -15.2344 -15.2344 -15.2302 -15.2302 -6.4436 -6.4434 -6.4418 -6.4418 -3.6333 -3.6331 -3.3555 -3.3524 -3.2653 -3.2632 -3.2561 -3.2553 -0.8338 -0.8336 -0.8192 -0.8168 -0.8146 -0.8142 -0.4564 -0.4544 0.3796 0.3810 0.4099 0.4109 0.4142 0.4146 1.1622 1.1623 1.1648 1.1649 1.6942 1.6942 1.7063 1.7065 1.9829 1.9830 8.1382 8.1382 11.4093 11.4099 11.4114 11.4121 11.6776 11.6777 11.6963 11.6963 k = 0.0000 0.0000 0.0000 ( 4337 PWs) bands (ev): -17.4505 -17.4505 -15.9114 -15.9114 -15.9113 -15.9113 -15.2892 -15.2892 -15.2343 -15.2343 -15.2301 -15.2301 -6.4433 -6.4433 -6.4431 -6.4431 -3.6333 -3.6333 -3.3514 -3.3514 -3.2648 -3.2648 -3.2575 -3.2575 -0.8339 -0.8339 -0.8167 -0.8167 -0.8142 -0.8142 -0.4579 -0.4579 0.3811 0.3811 0.4112 0.4112 0.4152 0.4152 1.1633 1.1633 1.1658 1.1658 1.6931 1.6931 1.7053 1.7053 1.9843 1.9843 8.1355 8.1355 11.4100 11.4100 11.4112 11.4112 11.6766 11.6766 11.6952 11.6952 k = 0.0000 0.0000 0.0000 ( 4337 PWs) bands (ev): -17.4505 -17.4505 -15.9114 -15.9114 -15.9113 -15.9113 -15.2892 -15.2892 -15.2343 -15.2343 -15.2301 -15.2301 -6.4433 -6.4433 -6.4431 -6.4431 -3.6333 -3.6333 -3.3514 -3.3514 -3.2648 -3.2648 -3.2575 -3.2575 -0.8339 -0.8339 -0.8167 -0.8167 -0.8142 -0.8142 -0.4579 -0.4579 0.3811 0.3811 0.4112 0.4112 0.4152 0.4152 1.1633 1.1633 1.1658 1.1658 1.6931 1.6931 1.7053 1.7053 1.9843 1.9843 8.1355 8.1355 11.4100 11.4100 11.4112 11.4112 11.6766 11.6766 11.6952 11.6952 k = 0.0000 0.0000 0.0158 ( 4349 PWs) bands (ev): -17.4499 -17.4499 -15.9506 -15.9505 -15.8726 -15.8725 -15.2893 -15.2891 -15.2347 -15.2339 -15.2304 -15.2298 -6.5153 -6.5151 -6.3701 -6.3699 -3.6340 -3.6336 -3.3528 -3.3524 -3.2969 -3.2897 -3.2320 -3.2248 -0.8332 -0.8332 -0.8285 -0.8259 -0.8040 -0.8015 -0.4573 -0.4567 0.3789 0.3814 0.4092 0.4112 0.4126 0.4171 1.1183 1.1208 1.2076 1.2101 1.6557 1.6680 1.7299 1.7420 1.9844 1.9849 8.1383 8.1383 11.3965 11.3976 11.4208 11.4220 11.6502 11.6689 11.7057 11.7242 k = 0.0000 0.0000 0.0316 ( 4367 PWs) bands (ev): -17.4482 -17.4482 -15.9901 -15.9900 -15.8343 -15.8341 -15.2892 -15.2889 -15.2352 -15.2336 -15.2308 -15.2296 -6.5860 -6.5858 -6.2959 -6.2956 -3.6355 -3.6347 -3.3569 -3.3557 -3.3279 -3.3211 -3.1987 -3.1916 -0.8394 -0.8368 -0.8313 -0.8313 -0.7905 -0.7881 -0.4548 -0.4537 0.3750 0.3795 0.4052 0.4093 0.4097 0.4182 1.0726 1.0752 1.2512 1.2537 1.6179 1.6302 1.7659 1.7779 1.9853 1.9863 8.1468 8.1468 11.3805 11.3816 11.4286 11.4297 11.6268 11.6456 11.7375 11.7559 k = 0.0000 0.0000 0.0474 ( 4373 PWs) bands (ev): -17.4454 -17.4454 -16.0299 -16.0298 -15.7964 -15.7963 -15.2891 -15.2886 -15.2357 -15.2333 -15.2312 -15.2294 -6.6553 -6.6551 -6.2207 -6.2204 -3.6378 -3.6366 -3.3667 -3.3613 -3.3545 -3.3519 -3.1648 -3.1579 -0.8492 -0.8466 -0.8281 -0.8281 -0.7763 -0.7739 -0.4506 -0.4488 0.3693 0.3747 0.3992 0.4053 0.4073 0.4187 1.0265 1.0291 1.2940 1.2964 1.5798 1.5922 1.8011 1.8131 1.9869 1.9884 8.1610 8.1610 11.3623 11.3634 11.4330 11.4342 11.6063 11.6253 11.7720 11.7901 k = 0.0000 0.0000 0.0632 ( 4355 PWs) bands (ev): -17.4414 -17.4414 -16.0699 -16.0697 -15.7591 -15.7590 -15.2889 -15.2882 -15.2362 -15.2330 -15.2316 -15.2292 -6.7231 -6.7229 -6.1446 -6.1444 -3.6409 -3.6394 -3.3918 -3.3818 -3.3691 -3.3674 -3.1306 -3.1238 -0.8580 -0.8553 -0.8236 -0.8236 -0.7615 -0.7592 -0.4445 -0.4422 0.3614 0.3665 0.3918 0.4006 0.4046 0.4184 0.9800 0.9826 1.3360 1.3383 1.5416 1.5541 1.8353 1.8473 1.9893 1.9913 8.1807 8.1807 11.3423 11.3433 11.4339 11.4351 11.5890 11.6080 11.8090 11.8269 k = 0.0000 0.0000 0.0790 ( 4349 PWs) bands (ev): -17.4363 -17.4363 -16.1100 -16.1098 -15.7225 -15.7224 -15.2886 -15.2877 -15.2367 -15.2328 -15.2321 -15.2291 -6.7894 -6.7892 -6.0678 -6.0676 -3.6448 -3.6429 -3.4203 -3.4108 -3.3791 -3.3782 -3.0961 -3.0895 -0.8656 -0.8628 -0.8179 -0.8178 -0.7461 -0.7439 -0.4367 -0.4338 0.3507 0.3548 0.3836 0.3952 0.4019 0.4175 0.9331 0.9358 1.3769 1.3792 1.5035 1.5160 1.8684 1.8803 1.9924 1.9949 8.2060 8.2060 11.3206 11.3217 11.4309 11.4320 11.5749 11.5940 11.8483 11.8660 k = 0.0000 0.0000 0.0948 ( 4349 PWs) bands (ev): -17.4300 -17.4300 -16.1502 -16.1501 -15.6866 -15.6865 -15.2882 -15.2871 -15.2373 -15.2327 -15.2325 -15.2290 -6.8539 -6.8537 -5.9903 -5.9901 -3.6495 -3.6471 -3.4483 -3.4390 -3.3914 -3.3908 -3.0614 -3.0551 -0.8719 -0.8691 -0.8110 -0.8108 -0.7303 -0.7281 -0.4272 -0.4237 0.3368 0.3398 0.3751 0.3891 0.3990 0.4158 0.8860 0.8887 1.4169 1.4191 1.4655 1.4781 1.9003 1.9121 1.9962 1.9992 8.2367 8.2367 11.2976 11.2987 11.4236 11.4247 11.5641 11.5833 11.8898 11.9074 k = 0.0000 0.0000 0.1106 ( 4349 PWs) bands (ev): -17.4227 -17.4226 -16.1904 -16.1903 -15.6515 -15.6514 -15.2877 -15.2864 -15.2380 -15.2333 -15.2323 -15.2289 -6.9167 -6.9165 -5.9123 -5.9121 -3.6548 -3.6521 -3.4755 -3.4662 -3.4060 -3.4055 -3.0267 -3.0206 -0.8769 -0.8741 -0.8028 -0.8026 -0.7142 -0.7121 -0.4161 -0.4120 0.3197 0.3218 0.3665 0.3822 0.3959 0.4134 0.8387 0.8414 1.4279 1.4405 1.4557 1.4578 1.9308 1.9426 2.0006 2.0042 8.2726 8.2726 11.2734 11.2745 11.4119 11.4130 11.5567 11.5759 11.9335 11.9508 k = 0.0000 0.0000 0.1264 ( 4337 PWs) bands (ev): -17.4142 -17.4142 -16.2306 -16.2305 -15.6173 -15.6172 -15.2871 -15.2857 -15.2387 -15.2339 -15.2321 -15.2288 -6.9775 -6.9773 -5.8339 -5.8337 -3.6607 -3.6576 -3.5017 -3.4924 -3.4227 -3.4224 -2.9920 -2.9861 -0.8806 -0.8777 -0.7934 -0.7932 -0.6978 -0.6958 -0.4035 -0.3988 0.2997 0.3011 0.3578 0.3747 0.3924 0.4102 0.7913 0.7940 1.3909 1.4035 1.4933 1.4954 1.9599 1.9717 2.0058 2.0098 8.3137 8.3137 11.2484 11.2495 11.3955 11.3966 11.5527 11.5719 11.9792 11.9962 k = 0.0000 0.0000 0.1421 ( 4331 PWs) bands (ev): -17.4046 -17.4045 -16.2708 -16.2707 -15.5840 -15.5839 -15.2865 -15.2849 -15.2394 -15.2346 -15.2320 -15.2288 -7.0363 -7.0362 -5.7552 -5.7549 -3.6671 -3.6637 -3.5269 -3.5175 -3.4418 -3.4414 -2.9575 -2.9518 -0.8829 -0.8800 -0.7830 -0.7827 -0.6813 -0.6793 -0.3894 -0.3842 0.2771 0.2780 0.3487 0.3664 0.3884 0.4064 0.7438 0.7466 1.3547 1.3672 1.5297 1.5317 1.9875 1.9993 2.0116 2.0161 8.3598 8.3598 11.2228 11.2239 11.3742 11.3753 11.5522 11.5715 12.0267 12.0434 k = 0.0000 0.0000 0.1579 ( 4331 PWs) bands (ev): -17.3939 -17.3938 -16.3108 -16.3107 -15.5517 -15.5516 -15.2858 -15.2840 -15.2402 -15.2353 -15.2318 -15.2288 -7.0931 -7.0929 -5.6762 -5.6760 -3.6740 -3.6702 -3.5511 -3.5416 -3.4630 -3.4627 -2.9232 -2.9178 -0.8838 -0.8808 -0.7715 -0.7711 -0.6647 -0.6628 -0.3740 -0.3682 0.2522 0.2528 0.3392 0.3574 0.3838 0.4018 0.6964 0.6992 1.3193 1.3318 1.5648 1.5667 2.0134 2.0181 2.0230 2.0252 8.4106 8.4107 11.1967 11.1979 11.3478 11.3488 11.5553 11.5746 12.0760 12.0924 k = 0.0000 0.0000 0.1737 ( 4337 PWs) bands (ev): -17.3821 -17.3820 -16.3507 -16.3506 -15.5205 -15.5204 -15.2850 -15.2831 -15.2410 -15.2362 -15.2317 -15.2288 -7.1476 -7.1474 -5.5971 -5.5969 -3.6813 -3.6771 -3.5741 -3.5646 -3.4865 -3.4862 -2.8894 -2.8842 -0.8832 -0.8802 -0.7590 -0.7585 -0.6482 -0.6464 -0.3574 -0.3509 0.2254 0.2257 0.3292 0.3477 0.3787 0.3966 0.6491 0.6519 1.2850 1.2973 1.5985 1.6004 2.0250 2.0305 2.0377 2.0495 8.4661 8.4662 11.1705 11.1717 11.3162 11.3172 11.5621 11.5814 12.1268 12.1428 k = 0.0000 0.0000 0.1895 ( 4337 PWs) bands (ev): -17.3692 -17.3691 -16.3903 -16.3902 -15.4905 -15.4904 -15.2841 -15.2820 -15.2419 -15.2370 -15.2316 -15.2288 -7.1998 -7.1997 -5.5181 -5.5178 -3.6889 -3.6844 -3.5960 -3.5863 -3.5122 -3.5119 -2.8561 -2.8512 -0.8811 -0.8780 -0.7456 -0.7450 -0.6319 -0.6302 -0.3396 -0.3325 0.1970 0.1971 0.3185 0.3373 0.3730 0.3906 0.6019 0.6049 1.2519 1.2641 1.6307 1.6325 2.0326 2.0384 2.0603 2.0721 8.5261 8.5261 11.1443 11.1455 11.2793 11.2803 11.5726 11.5918 12.1789 12.1946 k = 0.0000 0.0000 0.2053 ( 4349 PWs) bands (ev): -17.3552 -17.3551 -16.4297 -16.4296 -15.4617 -15.4616 -15.2832 -15.2810 -15.2428 -15.2379 -15.2315 -15.2289 -7.2497 -7.2495 -5.4392 -5.4389 -3.6967 -3.6918 -3.6167 -3.6070 -3.5401 -3.5398 -2.8235 -2.8189 -0.8774 -0.8743 -0.7313 -0.7307 -0.6158 -0.6142 -0.3207 -0.3131 0.1673 0.1674 0.3073 0.3261 0.3667 0.3840 0.5551 0.5581 1.2202 1.2322 1.6614 1.6632 2.0406 2.0469 2.0811 2.0929 8.5902 8.5902 11.1184 11.1195 11.2371 11.2380 11.5868 11.6059 12.2322 12.2475 k = 0.0000 0.0000 0.2211 ( 4325 PWs) bands (ev): -17.3401 -17.3401 -16.4688 -16.4687 -15.4342 -15.4341 -15.2822 -15.2798 -15.2437 -15.2389 -15.2314 -15.2289 -7.2970 -7.2969 -5.3605 -5.3602 -3.7045 -3.6994 -3.6363 -3.6264 -3.5703 -3.5699 -2.7917 -2.7873 -0.8722 -0.8690 -0.7164 -0.7157 -0.6000 -0.5985 -0.3009 -0.2927 0.1366 0.1369 0.2953 0.3143 0.3601 0.3768 0.5087 0.5117 1.1901 1.2018 1.6906 1.6923 2.0491 2.0558 2.1001 2.1119 8.6583 8.6584 11.0929 11.0940 11.1896 11.1904 11.6047 11.6238 12.2865 12.3013 k = 0.0000 0.0000 0.2369 ( 4324 PWs) bands (ev): -17.3240 -17.3240 -16.5076 -16.5074 -15.4081 -15.4080 -15.2811 -15.2786 -15.2447 -15.2399 -15.2313 -15.2290 -7.3418 -7.3417 -5.2821 -5.2818 -3.7124 -3.7070 -3.6547 -3.6446 -3.6026 -3.6021 -2.7609 -2.7568 -0.8654 -0.8622 -0.7010 -0.7001 -0.5848 -0.5833 -0.2804 -0.2716 0.1054 0.1059 0.2827 0.3017 0.3529 0.3691 0.4627 0.4657 1.1616 1.1730 1.7182 1.7198 2.0579 2.0650 2.1173 2.1291 8.7302 8.7303 11.0681 11.0691 11.1368 11.1376 11.6265 11.6454 12.3414 12.3558 k = 0.0000 0.0000 0.2527 ( 4336 PWs) bands (ev): -17.3068 -17.3068 -16.5459 -16.5458 -15.3834 -15.3833 -15.2800 -15.2773 -15.2458 -15.2409 -15.2312 -15.2290 -7.3839 -7.3838 -5.2042 -5.2039 -3.7203 -3.7145 -3.6720 -3.6616 -3.6372 -3.6363 -2.7313 -2.7275 -0.8571 -0.8538 -0.6853 -0.6842 -0.5701 -0.5688 -0.2591 -0.2497 0.0741 0.0748 0.2694 0.2883 0.3454 0.3609 0.4172 0.4203 1.1349 1.1458 1.7441 1.7455 2.0670 2.0746 2.1326 2.1444 8.8056 8.8057 11.0440 11.0451 11.0789 11.0797 11.6519 11.6707 12.3968 12.4106 k = 0.0000 0.0000 0.2685 ( 4324 PWs) bands (ev): -17.2886 -17.2885 -16.5839 -16.5837 -15.3602 -15.3602 -15.2788 -15.2760 -15.2468 -15.2420 -15.2312 -15.2291 -7.4233 -7.4232 -5.1268 -5.1266 -3.7280 -3.7219 -3.6892 -3.6773 -3.6740 -3.6716 -2.7029 -2.6994 -0.8472 -0.8439 -0.6695 -0.6682 -0.5561 -0.5548 -0.2372 -0.2273 0.0432 0.0441 0.2555 0.2743 0.3377 0.3524 0.3724 0.3755 1.1102 1.1206 1.7683 1.7696 2.0765 2.0844 2.1461 2.1579 8.8844 8.8845 11.0162 11.0169 11.0211 11.0220 11.6812 11.6998 12.4522 12.4655 k = 0.0000 0.0000 0.2843 ( 4330 PWs) bands (ev): -17.2694 -17.2693 -16.6214 -16.6212 -15.3387 -15.3386 -15.2775 -15.2747 -15.2479 -15.2432 -15.2311 -15.2292 -7.4599 -7.4598 -5.0501 -5.0499 -3.7354 -3.7291 -3.7158 -3.7129 -3.6985 -3.6918 -2.6761 -2.6729 -0.8358 -0.8324 -0.6540 -0.6524 -0.5427 -0.5416 -0.2148 -0.2043 0.0132 0.0144 0.2408 0.2595 0.3281 0.3298 0.3314 0.3437 1.0874 1.0972 1.7907 1.7919 2.0861 2.0944 2.1577 2.1696 8.9662 8.9663 10.9486 10.9493 10.9992 11.0001 11.7141 11.7326 12.5072 12.5200 k = 0.0000 0.0000 0.3001 ( 4318 PWs) bands (ev): -17.2491 -17.2490 -16.6584 -16.6582 -15.3188 -15.3188 -15.2762 -15.2733 -15.2491 -15.2443 -15.2310 -15.2293 -7.4935 -7.4934 -4.9742 -4.9739 -3.7552 -3.7540 -3.7425 -3.7360 -3.7134 -3.7050 -2.6508 -2.6479 -0.8229 -0.8195 -0.6392 -0.6373 -0.5303 -0.5292 -0.1921 -0.1810 -0.0154 -0.0139 0.2255 0.2440 0.2849 0.2882 0.3220 0.3349 1.0666 1.0757 1.8113 1.8124 2.0958 2.1044 2.1676 2.1795 9.0508 9.0509 10.8767 10.8773 10.9787 10.9796 11.7507 11.7690 12.5616 12.5736 k = 0.0000 0.0000 0.3159 ( 4318 PWs) bands (ev): -17.2278 -17.2278 -16.6948 -16.6947 -15.3007 -15.3006 -15.2748 -15.2719 -15.2502 -15.2456 -15.2310 -15.2294 -7.5242 -7.5241 -4.8992 -4.8989 -3.7980 -3.7972 -3.7492 -3.7424 -3.7258 -3.7170 -2.6274 -2.6247 -0.8087 -0.8051 -0.6255 -0.6234 -0.5187 -0.5177 -0.1691 -0.1575 -0.0417 -0.0399 0.2094 0.2278 0.2426 0.2459 0.3142 0.3260 1.0478 1.0562 1.8300 1.8311 2.1055 2.1145 2.1757 2.1876 9.1379 9.1380 10.8007 10.8012 10.9597 10.9605 11.7909 11.8090 12.6146 12.6259 k = 0.0000 0.0000 0.3317 ( 4330 PWs) bands (ev): -17.2056 -17.2055 -16.7307 -16.7306 -15.2848 -15.2842 -15.2729 -15.2704 -15.2513 -15.2469 -15.2309 -15.2295 -7.5518 -7.5517 -4.8251 -4.8248 -3.8433 -3.8426 -3.7554 -3.7484 -3.7366 -3.7277 -2.6059 -2.6036 -0.7930 -0.7894 -0.6137 -0.6112 -0.5081 -0.5073 -0.1459 -0.1337 -0.0651 -0.0630 0.1927 0.2013 0.2047 0.2109 0.3067 0.3174 1.0312 1.0388 1.8469 1.8478 2.1152 2.1245 2.1821 2.1939 9.2273 9.2274 10.7208 10.7213 10.9424 10.9431 11.8346 11.8524 12.6656 12.6761 k = 0.0000 0.0000 0.3475 ( 4348 PWs) bands (ev): -17.1823 -17.1823 -16.7661 -16.7659 -15.2745 -15.2699 -15.2689 -15.2672 -15.2523 -15.2482 -15.2308 -15.2296 -7.5763 -7.5763 -4.7521 -4.7518 -3.8907 -3.8901 -3.7611 -3.7538 -3.7462 -3.7372 -2.5865 -2.5844 -0.7762 -0.7726 -0.6044 -0.6015 -0.4986 -0.4978 -0.1226 -0.1099 -0.0846 -0.0821 0.1612 0.1648 0.1754 0.1933 0.2997 0.3092 1.0166 1.0234 1.8619 1.8627 2.1248 2.1344 2.1867 2.1986 9.3187 9.3188 10.6375 10.6380 10.9267 10.9274 11.8817 11.8992 12.7140 12.7236 k = 0.0000 0.0000 0.3633 ( 4336 PWs) bands (ev): -17.1582 -17.1581 -16.8007 -16.8006 -15.2718 -15.2674 -15.2589 -15.2557 -15.2518 -15.2495 -15.2308 -15.2297 -7.5977 -7.5977 -4.6803 -4.6800 -3.9402 -3.9397 -3.7661 -3.7586 -3.7544 -3.7455 -2.5693 -2.5676 -0.7583 -0.7546 -0.5983 -0.5950 -0.4902 -0.4896 -0.0994 -0.0993 -0.0965 -0.0861 0.1226 0.1262 0.1574 0.1750 0.2934 0.3016 1.0041 1.0100 1.8749 1.8756 2.1341 2.1440 2.1898 2.2016 9.4118 9.4119 10.5512 10.5516 10.9130 10.9135 11.9321 11.9494 12.7236 12.7360 k = 0.0000 0.0000 0.3791 ( 4342 PWs) bands (ev): -17.1330 -17.1330 -16.8348 -16.8346 -15.2702 -15.2659 -15.2566 -15.2509 -15.2450 -15.2444 -15.2307 -15.2299 -7.6159 -7.6158 -4.6097 -4.6094 -3.9918 -3.9913 -3.7703 -3.7626 -3.7614 -3.7525 -2.5545 -2.5531 -0.7396 -0.7357 -0.5960 -0.5924 -0.4830 -0.4825 -0.1086 -0.1054 -0.0761 -0.0623 0.0855 0.0893 0.1387 0.1561 0.2878 0.2947 0.9937 0.9987 1.8860 1.8866 2.1430 2.1532 2.1914 2.2031 9.5063 9.5065 10.4622 10.4626 10.9011 10.9016 11.9857 12.0027 12.6505 12.6634 k = 0.0000 0.0000 0.3949 ( 4342 PWs) bands (ev): -17.1070 -17.1069 -16.8681 -16.8680 -15.2686 -15.2644 -15.2575 -15.2524 -15.2361 -15.2359 -15.2306 -15.2300 -7.6308 -7.6308 -4.5405 -4.5402 -4.0454 -4.0450 -3.7738 -3.7672 -3.7660 -3.7584 -2.5422 -2.5411 -0.7202 -0.7163 -0.5979 -0.5940 -0.4770 -0.4766 -0.1117 -0.1082 -0.0531 -0.0388 0.0503 0.0543 0.1195 0.1365 0.2831 0.2887 0.9853 0.9893 1.8951 1.8956 2.1516 2.1620 2.1915 2.2031 9.6021 9.6022 10.3709 10.3713 10.8913 10.8917 12.0423 12.0590 12.5775 12.5910 k = 0.0000 0.0000 0.4107 ( 4330 PWs) bands (ev): -17.0801 -17.0800 -16.9007 -16.9006 -15.2672 -15.2629 -15.2587 -15.2538 -15.2306 -15.2300 -15.2291 -15.2291 -7.6425 -7.6424 -4.4728 -4.4724 -4.1009 -4.1006 -3.7765 -3.7719 -3.7684 -3.7630 -2.5325 -2.5316 -0.7005 -0.6965 -0.6041 -0.6000 -0.4723 -0.4720 -0.1086 -0.1049 -0.0305 -0.0154 0.0173 0.0217 0.0997 0.1164 0.2795 0.2837 0.9789 0.9819 1.9022 1.9026 2.1596 2.1702 2.1902 2.2018 9.6986 9.6988 10.2777 10.2780 10.8837 10.8840 12.1018 12.1181 12.5051 12.5191 k = 0.0000 0.0000 0.4264 ( 4330 PWs) bands (ev): -17.0522 -17.0522 -16.9326 -16.9325 -15.2657 -15.2613 -15.2601 -15.2553 -15.2305 -15.2301 -15.2241 -15.2241 -7.6508 -7.6508 -4.4065 -4.4062 -4.1584 -4.1581 -3.7783 -3.7753 -3.7700 -3.7666 -2.5255 -2.5249 -0.6808 -0.6767 -0.6143 -0.6100 -0.4689 -0.4687 -0.0993 -0.0955 -0.0141 -0.0132 -0.0025 0.0076 0.0793 0.0956 0.2770 0.2798 0.9745 0.9766 1.9074 1.9076 2.1669 2.1778 2.1877 2.1992 9.7957 9.7959 10.1829 10.1832 10.8782 10.8784 12.1638 12.1798 12.4337 12.4481 k = 0.0000 0.0000 0.4422 ( 4318 PWs) bands (ev): -17.0236 -17.0235 -16.9637 -16.9636 -15.2643 -15.2614 -15.2598 -15.2568 -15.2304 -15.2302 -15.2211 -15.2211 -7.6558 -7.6558 -4.3419 -4.3416 -4.2178 -4.2175 -3.7791 -3.7776 -3.7707 -3.7690 -2.5211 -2.5209 -0.6618 -0.6576 -0.6277 -0.6235 -0.4668 -0.4667 -0.0844 -0.0807 -0.0407 -0.0374 0.0156 0.0303 0.0584 0.0744 0.2758 0.2772 0.9721 0.9731 1.9105 1.9106 2.1735 2.1840 2.1845 2.1954 9.8930 9.8933 10.0870 10.0873 10.8749 10.8750 12.2283 12.2440 12.3635 12.3784 k = 0.0000 0.0000 0.4580 ( 4318 PWs) bands (ev): -16.9941 -16.9941 -16.9940 -16.9940 -15.2628 -15.2628 -15.2583 -15.2583 -15.2303 -15.2303 -15.2201 -15.2201 -7.6575 -7.6575 -4.2790 -4.2790 -4.2786 -4.2786 -3.7789 -3.7789 -3.7704 -3.7704 -2.5196 -2.5196 -0.6438 -0.6438 -0.6396 -0.6396 -0.4661 -0.4661 -0.0647 -0.0647 -0.0610 -0.0610 0.0371 0.0371 0.0526 0.0526 0.2758 0.2758 0.9717 0.9717 1.9115 1.9115 2.1793 2.1793 2.1904 2.1904 9.9902 9.9902 9.9905 9.9905 10.8738 10.8738 12.2950 12.2950 12.3102 12.3102 k = 0.0000 0.0000 0.4580 ( 4318 PWs) bands (ev): -16.9941 -16.9941 -16.9940 -16.9940 -15.2628 -15.2628 -15.2583 -15.2583 -15.2303 -15.2303 -15.2201 -15.2201 -7.6575 -7.6575 -4.2790 -4.2790 -4.2786 -4.2786 -3.7789 -3.7789 -3.7704 -3.7704 -2.5196 -2.5196 -0.6438 -0.6438 -0.6396 -0.6396 -0.4661 -0.4661 -0.0647 -0.0647 -0.0610 -0.0610 0.0371 0.0371 0.0526 0.0526 0.2758 0.2758 0.9717 0.9717 1.9115 1.9115 2.1793 2.1793 2.1904 2.1904 9.9902 9.9902 9.9905 9.9905 10.8738 10.8738 12.2950 12.2950 12.3102 12.3102 k = 0.0135 0.0078 0.4580 ( 4326 PWs) bands (ev): -16.9939 -16.9939 -16.9935 -16.9934 -15.2635 -15.2633 -15.2587 -15.2587 -15.2305 -15.2303 -15.2203 -15.2201 -7.6559 -7.6559 -4.2813 -4.2808 -4.2804 -4.2795 -3.7772 -3.7772 -3.7688 -3.7687 -2.5203 -2.5203 -0.6450 -0.6450 -0.6409 -0.6407 -0.4658 -0.4658 -0.0698 -0.0692 -0.0646 -0.0645 0.0419 0.0422 0.0575 0.0576 0.2764 0.2775 0.9718 0.9724 1.9102 1.9113 2.1780 2.1790 2.1897 2.1897 9.9919 9.9919 9.9921 9.9922 10.8757 10.8759 12.2938 12.2944 12.3094 12.3094 k = 0.0270 0.0156 0.4580 ( 4330 PWs) bands (ev): -16.9936 -16.9936 -16.9918 -16.9918 -15.2656 -15.2654 -15.2597 -15.2596 -15.2308 -15.2305 -15.2205 -15.2201 -7.6512 -7.6512 -4.2880 -4.2871 -4.2844 -4.2826 -3.7725 -3.7724 -3.7641 -3.7638 -2.5223 -2.5223 -0.6488 -0.6487 -0.6445 -0.6442 -0.4649 -0.4648 -0.0814 -0.0804 -0.0743 -0.0742 0.0542 0.0556 0.0701 0.0711 0.2793 0.2816 0.9730 0.9741 1.9073 1.9095 2.1752 2.1774 2.1875 2.1876 9.9968 9.9968 9.9972 9.9973 10.8815 10.8819 12.2910 12.2922 12.3069 12.3070 k = 0.0405 0.0234 0.4580 ( 4338 PWs) bands (ev): -16.9932 -16.9930 -16.9891 -16.9890 -15.2698 -15.2697 -15.2605 -15.2602 -15.2312 -15.2308 -15.2207 -15.2202 -7.6434 -7.6433 -4.2989 -4.2976 -4.2904 -4.2878 -3.7650 -3.7645 -3.7564 -3.7557 -2.5257 -2.5256 -0.6553 -0.6550 -0.6502 -0.6499 -0.4633 -0.4632 -0.0960 -0.0946 -0.0876 -0.0876 0.0704 0.0739 0.0873 0.0901 0.2846 0.2879 0.9751 0.9767 1.9029 1.9062 2.1708 2.1742 2.1838 2.1841 10.0048 10.0049 10.0057 10.0059 10.8912 10.8919 12.2863 12.2883 12.3029 12.3031 k = 0.0541 0.0312 0.4580 ( 4338 PWs) bands (ev): -16.9925 -16.9923 -16.9852 -16.9852 -15.2763 -15.2761 -15.2611 -15.2607 -15.2318 -15.2312 -15.2211 -15.2204 -7.6324 -7.6324 -4.3135 -4.3118 -4.2983 -4.2949 -3.7550 -3.7539 -3.7459 -3.7446 -2.5303 -2.5302 -0.6644 -0.6639 -0.6578 -0.6576 -0.4610 -0.4609 -0.1113 -0.1095 -0.1023 -0.1022 0.0881 0.0944 0.1073 0.1124 0.2924 0.2968 0.9781 0.9802 1.8969 1.9013 2.1647 2.1695 2.1787 2.1794 10.0161 10.0162 10.0176 10.0179 10.9049 10.9057 12.2797 12.2825 12.2976 12.2980 k = 0.0676 0.0390 0.4580 ( 4346 PWs) bands (ev): -16.9916 -16.9914 -16.9803 -16.9802 -15.2847 -15.2845 -15.2617 -15.2611 -15.2325 -15.2318 -15.2215 -15.2206 -7.6185 -7.6184 -4.3314 -4.3296 -4.3077 -4.3038 -3.7431 -3.7412 -3.7329 -3.7307 -2.5362 -2.5361 -0.6760 -0.6752 -0.6675 -0.6674 -0.4580 -0.4579 -0.1265 -0.1240 -0.1171 -0.1167 0.1060 0.1148 0.1298 0.1368 0.3028 0.3081 0.9819 0.9845 1.8896 1.8949 2.1569 2.1631 2.1724 2.1736 10.0305 10.0306 10.0330 10.0333 10.9224 10.9234 12.2714 12.2749 12.2912 12.2918 k = 0.0811 0.0468 0.4580 ( 4342 PWs) bands (ev): -16.9906 -16.9903 -16.9743 -16.9742 -15.2949 -15.2948 -15.2623 -15.2616 -15.2333 -15.2325 -15.2220 -15.2209 -7.6015 -7.6015 -4.3524 -4.3504 -4.3184 -4.3140 -3.7296 -3.7269 -3.7174 -3.7145 -2.5434 -2.5432 -0.6899 -0.6888 -0.6792 -0.6791 -0.4543 -0.4543 -0.1410 -0.1376 -0.1315 -0.1304 0.1236 0.1340 0.1544 0.1627 0.3159 0.3219 0.9864 0.9896 1.8808 1.8871 2.1474 2.1549 2.1652 2.1667 10.0480 10.0482 10.0517 10.0520 10.9438 10.9450 12.2612 12.2655 12.2838 12.2845 k = 0.0946 0.0546 0.4580 ( 4340 PWs) bands (ev): -16.9893 -16.9891 -16.9672 -16.9671 -15.3070 -15.3068 -15.2629 -15.2621 -15.2342 -15.2333 -15.2225 -15.2212 -7.5816 -7.5815 -4.3761 -4.3739 -4.3301 -4.3252 -3.7149 -3.7116 -3.6996 -3.6961 -2.5518 -2.5516 -0.7056 -0.7043 -0.6929 -0.6928 -0.4500 -0.4500 -0.1547 -0.1504 -0.1446 -0.1429 0.1405 0.1517 0.1806 0.1896 0.3314 0.3380 0.9916 0.9953 1.8707 1.8778 2.1362 2.1448 2.1571 2.1588 10.0685 10.0688 10.0738 10.0741 10.9689 10.9703 12.2495 12.2544 12.2755 12.2763 k = 0.1081 0.0624 0.4580 ( 4336 PWs) bands (ev): -16.9879 -16.9876 -16.9591 -16.9589 -15.3208 -15.3206 -15.2636 -15.2626 -15.2353 -15.2343 -15.2231 -15.2217 -7.5588 -7.5587 -4.4021 -4.3998 -4.3425 -4.3373 -3.6994 -3.6956 -3.6798 -3.6759 -2.5613 -2.5611 -0.7229 -0.7214 -0.7086 -0.7083 -0.4451 -0.4450 -0.1675 -0.1625 -0.1560 -0.1539 0.1566 0.1682 0.2076 0.2170 0.3493 0.3562 0.9975 1.0015 1.8593 1.8672 2.1234 2.1328 2.1481 2.1500 10.0921 10.0924 10.0991 10.0996 10.9978 10.9993 12.2365 12.2420 12.2663 12.2672 k = 0.1216 0.0702 0.4580 ( 4336 PWs) bands (ev): -16.9864 -16.9860 -16.9499 -16.9497 -15.3363 -15.3361 -15.2643 -15.2633 -15.2365 -15.2353 -15.2238 -15.2222 -7.5332 -7.5331 -4.4302 -4.4279 -4.3554 -4.3499 -3.6832 -3.6791 -3.6585 -3.6543 -2.5720 -2.5717 -0.7415 -0.7398 -0.7260 -0.7256 -0.4397 -0.4394 -0.1794 -0.1743 -0.1652 -0.1633 0.1722 0.1840 0.2352 0.2448 0.3691 0.3761 1.0038 1.0083 1.8467 1.8553 2.1089 2.1189 2.1384 2.1403 10.1186 10.1189 10.1278 10.1283 11.0303 11.0320 12.2223 12.2284 12.2562 12.2573 k = 0.1351 0.0780 0.4580 ( 4336 PWs) bands (ev): -16.9847 -16.9843 -16.9396 -16.9395 -15.3534 -15.3532 -15.2651 -15.2640 -15.2377 -15.2365 -15.2245 -15.2227 -7.5049 -7.5048 -4.4603 -4.4579 -4.3686 -4.3628 -3.6665 -3.6622 -3.6358 -3.6315 -2.5838 -2.5834 -0.7610 -0.7593 -0.7450 -0.7444 -0.4338 -0.4334 -0.1904 -0.1853 -0.1726 -0.1712 0.1876 0.1993 0.2629 0.2727 0.3903 0.3975 1.0105 1.0154 1.8329 1.8422 2.0928 2.1034 2.1278 2.1297 10.1479 10.1482 10.1597 10.1602 11.0663 11.0682 12.2074 12.2140 12.2455 12.2466 k = 0.1486 0.0858 0.4580 ( 4328 PWs) bands (ev): -16.9828 -16.9824 -16.9284 -16.9282 -15.3720 -15.3718 -15.2660 -15.2647 -15.2391 -15.2378 -15.2252 -15.2233 -7.4740 -7.4739 -4.4920 -4.4896 -4.3818 -4.3759 -3.6496 -3.6451 -3.6121 -3.6078 -2.5965 -2.5961 -0.7814 -0.7795 -0.7653 -0.7646 -0.4276 -0.4270 -0.2004 -0.1955 -0.1785 -0.1776 0.2029 0.2144 0.2906 0.3005 0.4128 0.4199 1.0176 1.0228 1.8181 1.8280 2.0751 2.0863 2.1165 2.1183 10.1800 10.1803 10.1947 10.1953 11.1058 11.1078 12.1919 12.1990 12.2341 12.2353 k = 0.1622 0.0936 0.4580 ( 4328 PWs) bands (ev): -16.9808 -16.9804 -16.9161 -16.9160 -15.3920 -15.3918 -15.2670 -15.2656 -15.2405 -15.2391 -15.2260 -15.2240 -7.4406 -7.4405 -4.5252 -4.5229 -4.3950 -4.3891 -3.6326 -3.6279 -3.5877 -3.5834 -2.6102 -2.6097 -0.8021 -0.8003 -0.7866 -0.7859 -0.4212 -0.4205 -0.2093 -0.2046 -0.1831 -0.1827 0.2185 0.2298 0.3180 0.3279 0.4359 0.4431 1.0249 1.0305 1.8024 1.8126 2.0561 2.0676 2.1045 2.1062 10.2148 10.2151 10.2329 10.2335 11.1486 11.1508 12.1761 12.1838 12.2222 12.2234 k = 0.1757 0.1014 0.4580 ( 4332 PWs) bands (ev): -16.9787 -16.9783 -16.9029 -16.9027 -15.4135 -15.4132 -15.2680 -15.2665 -15.2419 -15.2405 -15.2268 -15.2247 -7.4048 -7.4047 -4.5600 -4.5577 -4.4081 -4.4021 -3.6156 -3.6109 -3.5627 -3.5584 -2.6248 -2.6241 -0.8232 -0.8213 -0.8088 -0.8080 -0.4149 -0.4140 -0.2170 -0.2123 -0.1869 -0.1867 0.2346 0.2457 0.3449 0.3548 0.4595 0.4666 1.0325 1.0384 1.7857 1.7964 2.0356 2.0474 2.0918 2.0934 10.2521 10.2524 10.2741 10.2747 11.1947 11.1969 12.1603 12.1685 12.2099 12.2112 k = 0.1892 0.1092 0.4580 ( 4338 PWs) bands (ev): -16.9765 -16.9761 -16.8887 -16.8885 -15.4361 -15.4359 -15.2690 -15.2675 -15.2434 -15.2419 -15.2277 -15.2254 -7.3668 -7.3667 -4.5960 -4.5938 -4.4208 -4.4149 -3.5988 -3.5939 -3.5373 -3.5331 -2.6401 -2.6393 -0.8442 -0.8424 -0.8315 -0.8307 -0.4088 -0.4078 -0.2231 -0.2185 -0.1902 -0.1895 0.2514 0.2623 0.3711 0.3810 0.4832 0.4903 1.0402 1.0464 1.7683 1.7792 2.0138 2.0258 2.0785 2.0801 10.2918 10.2921 10.3182 10.3189 11.2437 11.2460 12.1447 12.1534 12.1974 12.1987 k = 0.2027 0.1170 0.4580 ( 4336 PWs) bands (ev): -16.9743 -16.9738 -16.8736 -16.8734 -15.4600 -15.4597 -15.2701 -15.2685 -15.2449 -15.2434 -15.2286 -15.2262 -7.3266 -7.3265 -4.6333 -4.6312 -4.4333 -4.4273 -3.5822 -3.5773 -3.5117 -3.5077 -2.6561 -2.6552 -0.8651 -0.8635 -0.8544 -0.8536 -0.4033 -0.4021 -0.2275 -0.2230 -0.1929 -0.1918 0.2690 0.2797 0.3964 0.4063 0.5069 0.5140 1.0481 1.0545 1.7502 1.7613 1.9907 2.0030 2.0648 2.0663 10.3338 10.3342 10.3653 10.3660 11.2956 11.2980 12.1297 12.1389 12.1847 12.1861 k = 0.2162 0.1248 0.4580 ( 4340 PWs) bands (ev): -16.9719 -16.9714 -16.8576 -16.8574 -15.4849 -15.4846 -15.2713 -15.2696 -15.2464 -15.2449 -15.2294 -15.2270 -7.2845 -7.2844 -4.6718 -4.6698 -4.4453 -4.4394 -3.5658 -3.5609 -3.4861 -3.4822 -2.6727 -2.6717 -0.8857 -0.8843 -0.8774 -0.8767 -0.3986 -0.3972 -0.2299 -0.2255 -0.1952 -0.1937 0.2876 0.2982 0.4206 0.4305 0.5303 0.5374 1.0561 1.0626 1.7316 1.7427 1.9666 1.9788 2.0507 2.0520 10.3780 10.3784 10.4151 10.4158 11.3502 11.3525 12.1153 12.1251 12.1720 12.1735 k = 0.2297 0.1326 0.4580 ( 4340 PWs) bands (ev): -16.9695 -16.9690 -16.8407 -16.8405 -15.5109 -15.5105 -15.2725 -15.2707 -15.2480 -15.2464 -15.2303 -15.2278 -7.2405 -7.2404 -4.7114 -4.7095 -4.4569 -4.4511 -3.5498 -3.5448 -3.4606 -3.4569 -2.6898 -2.6886 -0.9059 -0.9049 -0.9000 -0.8997 -0.3949 -0.3934 -0.2302 -0.2258 -0.1972 -0.1954 0.3073 0.3178 0.4436 0.4533 0.5534 0.5606 1.0643 1.0709 1.7125 1.7236 1.9413 1.9536 2.0362 2.0375 10.4243 10.4246 10.4675 10.4683 11.4072 11.4093 12.1020 12.1125 12.1594 12.1609 k = 0.2432 0.1404 0.4580 ( 4328 PWs) bands (ev): -16.9671 -16.9666 -16.8231 -16.8228 -15.5376 -15.5373 -15.2737 -15.2719 -15.2494 -15.2479 -15.2312 -15.2287 -7.1949 -7.1948 -4.7520 -4.7502 -4.4679 -4.4623 -3.5342 -3.5292 -3.4354 -3.4318 -2.7072 -2.7060 -0.9256 -0.9254 -0.9223 -0.9215 -0.3924 -0.3909 -0.2281 -0.2239 -0.1991 -0.1970 0.3280 0.3385 0.4652 0.4748 0.5759 0.5833 1.0726 1.0794 1.6930 1.7041 1.9151 1.9273 2.0215 2.0228 10.4724 10.4728 10.5225 10.5233 11.4661 11.4680 12.0901 12.1013 12.1469 12.1485 k = 0.2568 0.1482 0.4580 ( 4328 PWs) bands (ev): -16.9646 -16.9641 -16.8046 -16.8044 -15.5652 -15.5648 -15.2750 -15.2732 -15.2509 -15.2494 -15.2321 -15.2296 -7.1477 -7.1476 -4.7936 -4.7919 -4.4784 -4.4730 -3.5190 -3.5140 -3.4105 -3.4072 -2.7250 -2.7236 -0.9467 -0.9446 -0.9441 -0.9415 -0.3912 -0.3897 -0.2238 -0.2197 -0.2010 -0.1986 0.3498 0.3603 0.4852 0.4946 0.5979 0.6054 1.0812 1.0879 1.6733 1.6843 1.8880 1.9001 2.0067 2.0079 10.5223 10.5226 10.5798 10.5806 11.5265 11.5281 12.0799 12.0920 12.1345 12.1362 k = 0.2703 0.1560 0.4580 ( 4336 PWs) bands (ev): -16.9622 -16.9617 -16.7855 -16.7852 -15.5933 -15.5930 -15.2763 -15.2745 -15.2523 -15.2509 -15.2330 -15.2305 -7.0993 -7.0992 -4.8360 -4.8345 -4.4884 -4.4831 -3.5042 -3.4993 -3.3863 -3.3831 -2.7429 -2.7414 -0.9678 -0.9659 -0.9623 -0.9600 -0.3912 -0.3898 -0.2173 -0.2133 -0.2029 -0.2003 0.3725 0.3831 0.5034 0.5126 0.6192 0.6269 1.0899 1.0967 1.6534 1.6642 1.8602 1.8721 1.9919 1.9930 10.5736 10.5740 10.6393 10.6402 11.5878 11.5888 12.0720 12.0853 12.1222 12.1241 k = 0.2838 0.1638 0.4580 ( 4334 PWs) bands (ev): -16.9597 -16.9592 -16.7656 -16.7654 -15.6220 -15.6217 -15.2776 -15.2758 -15.2537 -15.2523 -15.2338 -15.2314 -7.0498 -7.0496 -4.8792 -4.8778 -4.4977 -4.4927 -3.4899 -3.4851 -3.3626 -3.3597 -2.7608 -2.7592 -0.9883 -0.9865 -0.9795 -0.9775 -0.3922 -0.3909 -0.2095 -0.2051 -0.2044 -0.2022 0.3962 0.4069 0.5198 0.5287 0.6397 0.6477 1.0990 1.1057 1.6336 1.6441 1.8318 1.8434 1.9771 1.9781 10.6264 10.6267 10.7009 10.7018 11.6489 11.6490 12.0673 12.0821 12.1100 12.1122 k = 0.2973 0.1716 0.4580 ( 4330 PWs) bands (ev): -16.9573 -16.9569 -16.7452 -16.7449 -15.6511 -15.6507 -15.2790 -15.2771 -15.2550 -15.2537 -15.2347 -15.2323 -6.9993 -6.9992 -4.9231 -4.9218 -4.5065 -4.5017 -3.4762 -3.4714 -3.3398 -3.3370 -2.7786 -2.7769 -1.0079 -1.0062 -0.9958 -0.9940 -0.3941 -0.3929 -0.2078 -0.2043 -0.1982 -0.1953 0.4208 0.4316 0.5342 0.5428 0.6594 0.6678 1.1083 1.1148 1.6139 1.6241 1.8029 1.8142 1.9625 1.9634 10.6803 10.6806 10.7643 10.7652 11.7072 11.7081 12.0668 12.0838 12.0978 12.1007 k = 0.3108 0.1794 0.4580 ( 4324 PWs) bands (ev): -16.9550 -16.9545 -16.7243 -16.7240 -15.6804 -15.6800 -15.2803 -15.2785 -15.2562 -15.2550 -15.2355 -15.2332 -6.9483 -6.9481 -4.9675 -4.9663 -4.5147 -4.5101 -3.4629 -3.4582 -3.3178 -3.3153 -2.7963 -2.7945 -1.0265 -1.0250 -1.0112 -1.0096 -0.3965 -0.3955 -0.2099 -0.2066 -0.1871 -0.1842 0.4460 0.4571 0.5466 0.5548 0.6783 0.6869 1.1180 1.1243 1.5944 1.6043 1.7737 1.7847 1.9481 1.9490 10.7351 10.7353 10.8292 10.8301 11.7608 11.7631 12.0706 12.0842 12.0919 12.0939 k = 0.3243 0.1872 0.4580 ( 4328 PWs) bands (ev): -16.9527 -16.9523 -16.7030 -16.7027 -15.7098 -15.7094 -15.2816 -15.2798 -15.2574 -15.2562 -15.2363 -15.2340 -6.8968 -6.8966 -5.0123 -5.0112 -4.5223 -4.5180 -3.4502 -3.4457 -3.2969 -3.2946 -2.8136 -2.8117 -1.0440 -1.0426 -1.0255 -1.0240 -0.3993 -0.3984 -0.2124 -0.2090 -0.1749 -0.1722 0.4718 0.4831 0.5569 0.5648 0.6961 0.7052 1.1279 1.1339 1.5754 1.5849 1.7443 1.7550 1.9341 1.9348 10.7905 10.7908 10.8955 10.8965 11.8067 11.8103 12.0681 12.0717 12.0989 12.1127 k = 0.3378 0.1951 0.4580 ( 4340 PWs) bands (ev): -16.9505 -16.9501 -16.6814 -16.6811 -15.7391 -15.7387 -15.2829 -15.2812 -15.2585 -15.2573 -15.2370 -15.2349 -6.8452 -6.8451 -5.0572 -5.0562 -4.5293 -4.5252 -3.4381 -3.4337 -3.2771 -3.2749 -2.8305 -2.8286 -1.0604 -1.0590 -1.0388 -1.0375 -0.4024 -0.4016 -0.2149 -0.2116 -0.1621 -0.1596 0.4978 0.5095 0.5653 0.5727 0.7130 0.7225 1.1380 1.1437 1.5569 1.5660 1.7151 1.7253 1.9204 1.9211 10.8464 10.8466 10.9629 10.9638 11.8422 11.8464 12.0567 12.0580 12.1274 12.1442 k = 0.3514 0.2029 0.4580 ( 4336 PWs) bands (ev): -16.9484 -16.9480 -16.6596 -16.6593 -15.7681 -15.7677 -15.2841 -15.2825 -15.2594 -15.2584 -15.2377 -15.2357 -6.7939 -6.7938 -5.1020 -5.1012 -4.5356 -4.5319 -3.4266 -3.4223 -3.2585 -3.2565 -2.8467 -2.8448 -1.0755 -1.0742 -1.0510 -1.0499 -0.4055 -0.4048 -0.2175 -0.2143 -0.1489 -0.1467 0.5240 0.5361 0.5719 0.5789 0.7288 0.7387 1.1483 1.1536 1.5390 1.5477 1.6861 1.6958 1.9073 1.9080 10.9023 10.9025 11.0311 11.0320 11.8667 11.8707 12.0428 12.0435 12.1710 12.1883 k = 0.3649 0.2107 0.4580 ( 4326 PWs) bands (ev): -16.9465 -16.9461 -16.6379 -16.6376 -15.7966 -15.7963 -15.2853 -15.2837 -15.2603 -15.2594 -15.2384 -15.2364 -6.7433 -6.7431 -5.1465 -5.1458 -4.5414 -4.5379 -3.4157 -3.4117 -3.2412 -3.2394 -2.8623 -2.8603 -1.0893 -1.0881 -1.0622 -1.0612 -0.4086 -0.4080 -0.2202 -0.2171 -0.1357 -0.1336 0.5498 0.5622 0.5771 0.5836 0.7434 0.7538 1.1586 1.1635 1.5221 1.5303 1.6576 1.6668 1.8949 1.8955 10.9579 10.9581 11.0996 11.1005 11.8820 11.8854 12.0272 12.0276 12.2252 12.2420 k = 0.3784 0.2185 0.4580 ( 4326 PWs) bands (ev): -16.9446 -16.9443 -16.6164 -16.6161 -15.8244 -15.8241 -15.2864 -15.2850 -15.2611 -15.2603 -15.2389 -15.2372 -6.6937 -6.6935 -5.1902 -5.1896 -4.5466 -4.5434 -3.4055 -3.4017 -3.2253 -3.2237 -2.8769 -2.8750 -1.1019 -1.1008 -1.0723 -1.0714 -0.4116 -0.4111 -0.2228 -0.2198 -0.1226 -0.1207 0.5733 0.5782 0.5886 0.5904 0.7567 0.7676 1.1687 1.1732 1.5061 1.5140 1.6298 1.6385 1.8832 1.8836 11.0128 11.0129 11.1683 11.1691 11.8911 11.8936 12.0099 12.0102 12.2848 12.3002 k = 0.3919 0.2263 0.4580 ( 4326 PWs) bands (ev): -16.9429 -16.9426 -16.5953 -16.5950 -15.8512 -15.8509 -15.2875 -15.2861 -15.2618 -15.2611 -15.2395 -15.2379 -6.6457 -6.6456 -5.2327 -5.2321 -4.5512 -4.5483 -3.3961 -3.3926 -3.2108 -3.2094 -2.8906 -2.8888 -1.1131 -1.1120 -1.0814 -1.0806 -0.4144 -0.4139 -0.2253 -0.2225 -0.1100 -0.1083 0.5807 0.5836 0.6048 0.6153 0.7687 0.7800 1.1786 1.1826 1.4914 1.4988 1.6032 1.6113 1.8723 1.8727 11.0663 11.0664 11.2366 11.2375 11.8963 11.8980 11.9906 11.9908 12.3419 12.3542 k = 0.4054 0.2341 0.4580 ( 4326 PWs) bands (ev): -16.9414 -16.9411 -16.5750 -16.5747 -15.8766 -15.8763 -15.2884 -15.2872 -15.2625 -15.2618 -15.2399 -15.2385 -6.6000 -6.5999 -5.2734 -5.2730 -4.5552 -4.5527 -3.3874 -3.3842 -3.1979 -3.1967 -2.9031 -2.9014 -1.1229 -1.1220 -1.0893 -1.0886 -0.4169 -0.4166 -0.2276 -0.2251 -0.0981 -0.0966 0.5814 0.5849 0.6280 0.6397 0.7793 0.7908 1.1879 1.1914 1.4781 1.4850 1.5779 1.5855 1.8623 1.8626 11.1179 11.1180 11.3043 11.3050 11.8992 11.9003 11.9689 11.9691 12.3778 12.3836 k = 0.4189 0.2419 0.4580 ( 4322 PWs) bands (ev): -16.9401 -16.9398 -16.5558 -16.5556 -15.9003 -15.9000 -15.2892 -15.2881 -15.2630 -15.2624 -15.2403 -15.2391 -6.5573 -6.5572 -5.3117 -5.3113 -4.5586 -4.5564 -3.3797 -3.3768 -3.1866 -3.1856 -2.9143 -2.9127 -1.1314 -1.1306 -1.0962 -1.0956 -0.4192 -0.4189 -0.2298 -0.2276 -0.0871 -0.0858 0.5813 0.5845 0.6507 0.6627 0.7883 0.8000 1.1966 1.1996 1.4664 1.4729 1.5545 1.5615 1.8533 1.8536 11.1667 11.1667 11.3707 11.3714 11.9008 11.9015 11.9446 11.9448 12.3701 12.3709 k = 0.4324 0.2497 0.4580 ( 4326 PWs) bands (ev): -16.9389 -16.9387 -16.5382 -16.5380 -15.9217 -15.9215 -15.2899 -15.2890 -15.2634 -15.2629 -15.2406 -15.2396 -6.5185 -6.5184 -5.3467 -5.3464 -4.5614 -4.5596 -3.3729 -3.3704 -3.1769 -3.1761 -2.9241 -2.9227 -1.1386 -1.1379 -1.1020 -1.1015 -0.4212 -0.4209 -0.2316 -0.2298 -0.0773 -0.0762 0.5806 0.5834 0.6719 0.6838 0.7959 0.8074 1.2044 1.2069 1.4564 1.4624 1.5333 1.5397 1.8455 1.8458 11.2116 11.2117 11.4355 11.4361 11.9013 11.9020 11.9173 11.9178 12.3376 12.3380 k = 0.4459 0.2575 0.4580 ( 4322 PWs) bands (ev): -16.9379 -16.9378 -16.5227 -16.5225 -15.9404 -15.9402 -15.2904 -15.2897 -15.2638 -15.2634 -15.2409 -15.2400 -6.4845 -6.4844 -5.3775 -5.3772 -4.5637 -4.5623 -3.3671 -3.3650 -3.1689 -3.1683 -2.9323 -2.9311 -1.1444 -1.1439 -1.1067 -1.1063 -0.4228 -0.4226 -0.2332 -0.2317 -0.0689 -0.0680 0.5796 0.5819 0.6910 0.7022 0.8019 0.8128 1.2111 1.2131 1.4485 1.4539 1.5148 1.5205 1.8390 1.8392 11.2516 11.2516 11.4981 11.4987 11.8853 11.8858 11.9033 11.9037 12.3016 12.3022 k = 0.4595 0.2653 0.4580 ( 4326 PWs) bands (ev): -16.9372 -16.9371 -16.5098 -16.5096 -15.9558 -15.9557 -15.2908 -15.2903 -15.2641 -15.2637 -15.2410 -15.2404 -6.4564 -6.4563 -5.4030 -5.4028 -4.5655 -4.5644 -3.3624 -3.3608 -3.1626 -3.1621 -2.9387 -2.9378 -1.1489 -1.1485 -1.1103 -1.1101 -0.4240 -0.4239 -0.2344 -0.2333 -0.0621 -0.0614 0.5786 0.5803 0.7074 0.7172 0.8067 0.8162 1.2166 1.2181 1.4427 1.4473 1.4996 1.5044 1.8338 1.8339 11.2850 11.2851 11.5581 11.5586 11.8514 11.8516 11.9036 11.9038 12.2694 12.2699 k = 0.4730 0.2731 0.4580 ( 4330 PWs) bands (ev): -16.9366 -16.9365 -16.5000 -16.4999 -15.9674 -15.9672 -15.2911 -15.2908 -15.2642 -15.2640 -15.2411 -15.2407 -6.4353 -6.4353 -5.4222 -5.4221 -4.5667 -4.5659 -3.3589 -3.3578 -3.1581 -3.1578 -2.9434 -2.9428 -1.1521 -1.1518 -1.1129 -1.1128 -0.4250 -0.4249 -0.2353 -0.2345 -0.0570 -0.0566 0.5778 0.5790 0.7206 0.7280 0.8104 0.8177 1.2206 1.2217 1.4390 1.4425 1.4884 1.4920 1.8300 1.8301 11.3105 11.3105 11.6148 11.6152 11.8135 11.8137 11.9041 11.9042 12.2441 12.2445 k = 0.4865 0.2809 0.4580 ( 4332 PWs) bands (ev): -16.9363 -16.9362 -16.4939 -16.4938 -15.9745 -15.9744 -15.2913 -15.2911 -15.2643 -15.2642 -15.2411 -15.2409 -6.4222 -6.4222 -5.4342 -5.4341 -4.5673 -4.5669 -3.3567 -3.3561 -3.1554 -3.1552 -2.9462 -2.9458 -1.1540 -1.1539 -1.1145 -1.1144 -0.4255 -0.4255 -0.2357 -0.2353 -0.0539 -0.0537 0.5774 0.5780 0.7298 0.7338 0.8135 0.8175 1.2232 1.2237 1.4374 1.4393 1.4817 1.4837 1.8278 1.8278 11.3265 11.3265 11.6667 11.6670 11.7731 11.7733 11.9045 11.9045 12.2281 12.2283 k = 0.5000 0.2887 0.4580 ( 4336 PWs) bands (ev): -16.9362 -16.9362 -16.4918 -16.4918 -15.9769 -15.9769 -15.2912 -15.2912 -15.2643 -15.2643 -15.2411 -15.2411 -6.4178 -6.4178 -5.4382 -5.4382 -4.5674 -4.5674 -3.3558 -3.3558 -3.1544 -3.1544 -2.9470 -2.9470 -1.1546 -1.1546 -1.1150 -1.1150 -0.4257 -0.4257 -0.2357 -0.2357 -0.0528 -0.0528 0.5774 0.5774 0.7344 0.7344 0.8159 0.8159 1.2243 1.2243 1.4376 1.4376 1.4801 1.4801 1.8270 1.8270 11.3320 11.3320 11.7002 11.7002 11.7437 11.7437 11.9046 11.9046 12.2226 12.2226 k = 0.5000 0.2887 0.4580 ( 4336 PWs) bands (ev): -16.9362 -16.9362 -16.4918 -16.4918 -15.9769 -15.9769 -15.2912 -15.2912 -15.2643 -15.2643 -15.2411 -15.2411 -6.4178 -6.4178 -5.4382 -5.4382 -4.5674 -4.5674 -3.3558 -3.3558 -3.1544 -3.1544 -2.9470 -2.9470 -1.1546 -1.1546 -1.1150 -1.1150 -0.4257 -0.4257 -0.2357 -0.2357 -0.0528 -0.0528 0.5774 0.5774 0.7344 0.7344 0.8159 0.8159 1.2243 1.2243 1.4376 1.4376 1.4801 1.4801 1.8270 1.8270 11.3320 11.3320 11.7002 11.7002 11.7437 11.7437 11.9046 11.9046 12.2226 12.2226 k = 0.4921 0.3024 0.4580 ( 4334 PWs) bands (ev): -16.9361 -16.9361 -16.4913 -16.4912 -15.9776 -15.9775 -15.2913 -15.2912 -15.2644 -15.2643 -15.2412 -15.2411 -6.4164 -6.4162 -5.4390 -5.4386 -4.5688 -4.5685 -3.3550 -3.3549 -3.1546 -3.1545 -2.9473 -2.9472 -1.1557 -1.1544 -1.1144 -1.1131 -0.4281 -0.4278 -0.2341 -0.2336 -0.0527 -0.0525 0.5707 0.5720 0.7399 0.7413 0.8167 0.8171 1.2244 1.2245 1.4375 1.4377 1.4787 1.4796 1.8255 1.8266 11.3324 11.3330 11.7009 11.7009 11.7415 11.7415 11.9093 11.9097 12.2224 12.2224 k = 0.4841 0.3162 0.4580 ( 4322 PWs) bands (ev): -16.9359 -16.9358 -16.4897 -16.4894 -15.9796 -15.9793 -15.2914 -15.2912 -15.2646 -15.2644 -15.2415 -15.2412 -6.4121 -6.4118 -5.4410 -5.4402 -4.5727 -4.5720 -3.3528 -3.3525 -3.1550 -3.1548 -2.9480 -2.9478 -1.1574 -1.1553 -1.1116 -1.1093 -0.4348 -0.4343 -0.2289 -0.2281 -0.0521 -0.0519 0.5543 0.5565 0.7557 0.7583 0.8194 0.8202 1.2250 1.2251 1.4374 1.4378 1.4752 1.4770 1.8221 1.8244 11.3341 11.3353 11.7027 11.7027 11.7358 11.7358 11.9230 11.9236 12.2216 12.2217 k = 0.4762 0.3299 0.4580 ( 4322 PWs) bands (ev): -16.9355 -16.9354 -16.4869 -16.4866 -15.9829 -15.9825 -15.2916 -15.2913 -15.2649 -15.2646 -15.2419 -15.2415 -6.4050 -6.4044 -5.4442 -5.4431 -4.5789 -4.5779 -3.3490 -3.3487 -3.1556 -3.1553 -2.9492 -2.9488 -1.1596 -1.1569 -1.1065 -1.1036 -0.4451 -0.4445 -0.2209 -0.2197 -0.0511 -0.0508 0.5322 0.5349 0.7778 0.7812 0.8241 0.8252 1.2259 1.2261 1.4373 1.4378 1.4699 1.4725 1.8169 1.8202 11.3371 11.3389 11.7057 11.7057 11.7283 11.7285 11.9437 11.9446 12.2203 12.2205 k = 0.4683 0.3437 0.4580 ( 4314 PWs) bands (ev): -16.9350 -16.9349 -16.4830 -16.4826 -15.9874 -15.9869 -15.2918 -15.2914 -15.2653 -15.2648 -15.2424 -15.2419 -6.3949 -6.3942 -5.4488 -5.4473 -4.5873 -4.5861 -3.3439 -3.3435 -3.1565 -3.1561 -2.9508 -2.9503 -1.1619 -1.1590 -1.0997 -1.0965 -0.4584 -0.4577 -0.2107 -0.2093 -0.0497 -0.0492 0.5070 0.5101 0.8029 0.8073 0.8312 0.8322 1.2273 1.2275 1.4372 1.4377 1.4629 1.4661 1.8098 1.8142 11.3414 11.3438 11.7098 11.7099 11.7209 11.7212 11.9698 11.9709 12.2185 12.2187 k = 0.4603 0.3574 0.4580 ( 4314 PWs) bands (ev): -16.9344 -16.9342 -16.4780 -16.4774 -15.9932 -15.9926 -15.2921 -15.2916 -15.2657 -15.2651 -15.2431 -15.2424 -6.3820 -6.3812 -5.4548 -5.4530 -4.5977 -4.5961 -3.3375 -3.3371 -3.1576 -3.1571 -2.9529 -2.9522 -1.1643 -1.1613 -1.0912 -1.0879 -0.4739 -0.4732 -0.1992 -0.1976 -0.0477 -0.0471 0.4804 0.4836 0.8274 0.8344 0.8418 0.8427 1.2289 1.2292 1.4371 1.4372 1.4545 1.4578 1.8008 1.8062 11.3469 11.3498 11.7134 11.7134 11.7163 11.7168 12.0002 12.0013 12.2161 12.2164 k = 0.4524 0.3712 0.4580 ( 4330 PWs) bands (ev): -16.9337 -16.9335 -16.4718 -16.4712 -16.0003 -15.9996 -15.2924 -15.2919 -15.2661 -15.2655 -15.2439 -15.2430 -6.3664 -6.3653 -5.4623 -5.4602 -4.6097 -4.6079 -3.3301 -3.3295 -3.1589 -3.1584 -2.9553 -2.9545 -1.1667 -1.1638 -1.0813 -1.0781 -0.4911 -0.4904 -0.1867 -0.1850 -0.0452 -0.0445 0.4530 0.4563 0.8439 0.8500 0.8650 0.8656 1.2308 1.2311 1.4345 1.4368 1.4466 1.4481 1.7900 1.7963 11.3534 11.3568 11.7095 11.7101 11.7222 11.7223 12.0339 12.0351 12.2130 12.2134 k = 0.4444 0.3849 0.4580 ( 4326 PWs) bands (ev): -16.9329 -16.9326 -16.4645 -16.4638 -16.0087 -16.0078 -15.2928 -15.2923 -15.2666 -15.2658 -15.2448 -15.2438 -6.3480 -6.3468 -5.4715 -5.4691 -4.6230 -4.6210 -3.3217 -3.3211 -3.1604 -3.1598 -2.9580 -2.9571 -1.1691 -1.1664 -1.0700 -1.0670 -0.5095 -0.5090 -0.1738 -0.1720 -0.0422 -0.0413 0.4253 0.4287 0.8566 0.8621 0.8933 0.8950 1.2330 1.2333 1.4259 1.4333 1.4399 1.4432 1.7774 1.7845 11.3610 11.3648 11.7072 11.7081 11.7298 11.7299 12.0704 12.0717 12.2092 12.2096 k = 0.4365 0.3986 0.4580 ( 4346 PWs) bands (ev): -16.9320 -16.9317 -16.4561 -16.4553 -16.0183 -16.0173 -15.2933 -15.2927 -15.2670 -15.2660 -15.2458 -15.2447 -6.3270 -6.3256 -5.4826 -5.4799 -4.6372 -4.6350 -3.3126 -3.3119 -3.1621 -3.1614 -2.9611 -2.9601 -1.1715 -1.1690 -1.0575 -1.0548 -0.5291 -0.5287 -0.1608 -0.1589 -0.0384 -0.0374 0.3977 0.4012 0.8698 0.8755 0.9228 0.9250 1.2354 1.2357 1.4129 1.4213 1.4388 1.4427 1.7629 1.7708 11.3694 11.3736 11.7073 11.7085 11.7385 11.7386 12.1095 12.1107 12.2046 12.2051 k = 0.4286 0.4124 0.4580 ( 4342 PWs) bands (ev): -16.9311 -16.9308 -16.4465 -16.4456 -16.0291 -16.0281 -15.2939 -15.2932 -15.2673 -15.2662 -15.2468 -15.2456 -6.3034 -6.3019 -5.4957 -5.4928 -4.6520 -4.6497 -3.3028 -3.3021 -3.1639 -3.1632 -2.9643 -2.9633 -1.1738 -1.1717 -1.0438 -1.0414 -0.5495 -0.5492 -0.1478 -0.1459 -0.0340 -0.0328 0.3703 0.3738 0.8843 0.8902 0.9527 0.9551 1.2380 1.2383 1.3979 1.4067 1.4391 1.4432 1.7466 1.7553 11.3786 11.3831 11.7100 11.7114 11.7482 11.7483 12.1507 12.1519 12.1991 12.1997 k = 0.4206 0.4261 0.4580 ( 4338 PWs) bands (ev): -16.9301 -16.9298 -16.4358 -16.4348 -16.0412 -16.0401 -15.2945 -15.2938 -15.2675 -15.2663 -15.2480 -15.2466 -6.2773 -6.2756 -5.5111 -5.5079 -4.6670 -4.6646 -3.2927 -3.2919 -3.1659 -3.1652 -2.9678 -2.9667 -1.1761 -1.1743 -1.0289 -1.0269 -0.5705 -0.5704 -0.1351 -0.1332 -0.0287 -0.0274 0.3432 0.3468 0.9000 0.9063 0.9827 0.9852 1.2406 1.2409 1.3814 1.3907 1.4399 1.4442 1.7285 1.7379 11.3885 11.3931 11.7153 11.7168 11.7589 11.7589 12.1920 12.1923 12.1943 12.1963 k = 0.4127 0.4399 0.4580 ( 4338 PWs) bands (ev): -16.9291 -16.9288 -16.4239 -16.4228 -16.0544 -16.0533 -15.2951 -15.2945 -15.2676 -15.2663 -15.2492 -15.2478 -6.2488 -6.2470 -5.5288 -5.5255 -4.6817 -4.6793 -3.2824 -3.2816 -3.1680 -3.1673 -2.9714 -2.9703 -1.1784 -1.1768 -1.0131 -1.0114 -0.5922 -0.5921 -0.1228 -0.1209 -0.0226 -0.0211 0.3165 0.3202 0.9168 0.9235 1.0124 1.0149 1.2432 1.2435 1.3638 1.3735 1.4410 1.4456 1.7088 1.7188 11.3989 11.4035 11.7229 11.7245 11.7704 11.7704 12.1852 12.1857 12.2389 12.2400 k = 0.4048 0.4536 0.4580 ( 4338 PWs) bands (ev): -16.9281 -16.9278 -16.4108 -16.4097 -16.0688 -16.0676 -15.2958 -15.2952 -15.2676 -15.2661 -15.2505 -15.2489 -6.2181 -6.2161 -5.5492 -5.5457 -4.6958 -4.6934 -3.2720 -3.2712 -3.1703 -3.1695 -2.9751 -2.9739 -1.1807 -1.1793 -0.9962 -0.9949 -0.6144 -0.6141 -0.1110 -0.1092 -0.0156 -0.0140 0.2905 0.2941 0.9348 0.9419 1.0418 1.0443 1.2458 1.2460 1.3453 1.3554 1.4425 1.4474 1.6875 1.6980 11.4096 11.4141 11.7327 11.7343 11.7826 11.7827 12.1766 12.1772 12.2853 12.2863 k = 0.3968 0.4674 0.4580 ( 4334 PWs) bands (ev): -16.9271 -16.9268 -16.3967 -16.3955 -16.0844 -16.0831 -15.2965 -15.2959 -15.2674 -15.2659 -15.2518 -15.2501 -6.1851 -6.1831 -5.5722 -5.5687 -4.7091 -4.7068 -3.2617 -3.2609 -3.1726 -3.1719 -2.9788 -2.9776 -1.1829 -1.1818 -0.9785 -0.9776 -0.6370 -0.6365 -0.0999 -0.0981 -0.0077 -0.0059 0.2650 0.2687 0.9536 0.9611 1.0705 1.0729 1.2483 1.2484 1.3262 1.3365 1.4444 1.4497 1.6648 1.6757 11.4205 11.4249 11.7443 11.7460 11.7954 11.7954 12.1670 12.1677 12.3329 12.3337 k = 0.3889 0.4811 0.4580 ( 4346 PWs) bands (ev): -16.9262 -16.9259 -16.3814 -16.3802 -16.1010 -16.0997 -15.2972 -15.2966 -15.2671 -15.2655 -15.2531 -15.2513 -6.1501 -6.1480 -5.5981 -5.5946 -4.7211 -4.7190 -3.2517 -3.2509 -3.1751 -3.1745 -2.9824 -2.9813 -1.1850 -1.1841 -0.9600 -0.9595 -0.6598 -0.6591 -0.0896 -0.0879 0.0013 0.0032 0.2402 0.2439 0.9733 0.9812 1.0981 1.1005 1.2504 1.2504 1.3067 1.3174 1.4469 1.4526 1.6408 1.6520 11.4314 11.4355 11.7574 11.7590 11.8084 11.8084 12.1563 12.1570 12.3814 12.3818 k = 0.3810 0.4949 0.4580 ( 4350 PWs) bands (ev): -16.9253 -16.9251 -16.3650 -16.3637 -16.1187 -16.1174 -15.2978 -15.2973 -15.2668 -15.2650 -15.2545 -15.2526 -6.1132 -6.1109 -5.6269 -5.6234 -4.7318 -4.7298 -3.2421 -3.2413 -3.1777 -3.1772 -2.9858 -2.9848 -1.1869 -1.1862 -0.9409 -0.9407 -0.6827 -0.6819 -0.0802 -0.0786 0.0113 0.0134 0.2162 0.2199 0.9938 1.0020 1.1242 1.1263 1.2521 1.2523 1.2877 1.2984 1.4501 1.4562 1.6158 1.6273 11.4421 11.4458 11.7716 11.7731 11.8215 11.8215 12.1447 12.1454 12.4300 12.4302 k = 0.3730 0.5086 0.4580 ( 4354 PWs) bands (ev): -16.9246 -16.9244 -16.3474 -16.3462 -16.1374 -16.1361 -15.2984 -15.2980 -15.2663 -15.2644 -15.2558 -15.2538 -6.0745 -6.0721 -5.6586 -5.6552 -4.7409 -4.7391 -3.2329 -3.2322 -3.1804 -3.1800 -2.9890 -2.9881 -1.1887 -1.1882 -0.9213 -0.9211 -0.7057 -0.7046 -0.0718 -0.0703 0.0223 0.0246 0.1930 0.1967 1.0149 1.0234 1.1472 1.1493 1.2530 1.2538 1.2704 1.2807 1.4539 1.4604 1.5901 1.6017 11.4523 11.4555 11.7863 11.7877 11.8340 11.8340 12.1325 12.1332 12.4776 12.4784 k = 0.3651 0.5224 0.4580 ( 4356 PWs) bands (ev): -16.9239 -16.9237 -16.3288 -16.3276 -16.1571 -16.1558 -15.2989 -15.2985 -15.2657 -15.2637 -15.2571 -15.2550 -6.0341 -6.0316 -5.6932 -5.6899 -4.7482 -4.7468 -3.2244 -3.2237 -3.1833 -3.1831 -2.9918 -2.9910 -1.1903 -1.1899 -0.9013 -0.9009 -0.7287 -0.7274 -0.0645 -0.0631 0.0344 0.0368 0.1708 0.1743 1.0364 1.0453 1.1642 1.1667 1.2509 1.2544 1.2597 1.2668 1.4585 1.4653 1.5644 1.5760 11.4616 11.4643 11.8012 11.8024 11.8453 11.8453 12.1201 12.1208 12.5232 12.5251 k = 0.3571 0.5361 0.4580 ( 4344 PWs) bands (ev): -16.9234 -16.9232 -16.3091 -16.3079 -16.1776 -16.1763 -15.2993 -15.2990 -15.2650 -15.2629 -15.2583 -15.2561 -5.9921 -5.9896 -5.7306 -5.7275 -4.7539 -4.7528 -3.2167 -3.2160 -3.1864 -3.1864 -2.9942 -2.9935 -1.1916 -1.1914 -0.8810 -0.8804 -0.7514 -0.7499 -0.0584 -0.0573 0.0476 0.0501 0.1496 0.1530 1.0583 1.0674 1.1699 1.1741 1.2477 1.2531 1.2586 1.2617 1.4638 1.4711 1.5395 1.5508 11.4698 11.4718 11.8157 11.8167 11.8544 11.8545 12.1083 12.1089 12.5656 12.5689 k = 0.3492 0.5499 0.4580 ( 4332 PWs) bands (ev): -16.9230 -16.9229 -16.2884 -16.2871 -16.1990 -16.1977 -15.2996 -15.2994 -15.2643 -15.2621 -15.2595 -15.2572 -5.9488 -5.9462 -5.7707 -5.7677 -4.7578 -4.7571 -3.2098 -3.2092 -3.1900 -3.1897 -2.9960 -2.9955 -1.1926 -1.1925 -0.8605 -0.8596 -0.7738 -0.7720 -0.0537 -0.0529 0.0618 0.0644 0.1296 0.1327 1.0803 1.0896 1.1620 1.1684 1.2506 1.2527 1.2612 1.2645 1.4699 1.4777 1.5169 1.5273 11.4764 11.4778 11.8294 11.8302 11.8599 11.8601 12.0984 12.0988 12.6034 12.6085 k = 0.3413 0.5636 0.4580 ( 4324 PWs) bands (ev): -16.9227 -16.9227 -16.2667 -16.2654 -16.2211 -16.2199 -15.2997 -15.2996 -15.2637 -15.2613 -15.2604 -15.2581 -5.9042 -5.9015 -5.8133 -5.8105 -4.7600 -4.7597 -3.2039 -3.2036 -3.1938 -3.1931 -2.9971 -2.9968 -1.1932 -1.1932 -0.8400 -0.8391 -0.7955 -0.7932 -0.0507 -0.0502 0.0769 0.0797 0.1109 0.1136 1.1020 1.1116 1.1457 1.1535 1.2530 1.2532 1.2674 1.2698 1.4764 1.4851 1.4990 1.5075 11.4809 11.4816 11.8420 11.8425 11.8602 11.8605 12.0916 12.0919 12.6358 12.6435 k = 0.3333 0.5774 0.4580 ( 4320 PWs) bands (ev): -16.9226 -16.9226 -16.2454 -16.2429 -16.2425 -16.2425 -15.2998 -15.2998 -15.2634 -15.2609 -15.2609 -15.2585 -5.8612 -5.8558 -5.8557 -5.8557 -4.7606 -4.7606 -3.2004 -3.2004 -3.1967 -3.1953 -2.9974 -2.9974 -1.1934 -1.1934 -0.8244 -0.8244 -0.8116 -0.8081 -0.0494 -0.0494 0.0904 0.0956 0.0963 0.0963 1.1188 1.1301 1.1301 1.1369 1.2534 1.2534 1.2717 1.2717 1.4801 1.4916 1.4916 1.4957 11.4827 11.4827 11.8518 11.8518 11.8550 11.8557 12.0893 12.0893 12.6566 12.6714 k = 0.3333 0.5774 0.4580 ( 4320 PWs) bands (ev): -16.9226 -16.9226 -16.2454 -16.2429 -16.2425 -16.2425 -15.2998 -15.2998 -15.2634 -15.2609 -15.2609 -15.2585 -5.8612 -5.8558 -5.8557 -5.8557 -4.7606 -4.7606 -3.2004 -3.2004 -3.1967 -3.1953 -2.9974 -2.9974 -1.1934 -1.1934 -0.8244 -0.8244 -0.8116 -0.8081 -0.0494 -0.0494 0.0904 0.0956 0.0963 0.0963 1.1188 1.1301 1.1301 1.1369 1.2534 1.2534 1.2717 1.2717 1.4801 1.4916 1.4916 1.4957 11.4827 11.4827 11.8518 11.8518 11.8550 11.8557 12.0893 12.0893 12.6566 12.6716 k = 0.3254 0.5636 0.4580 ( 4328 PWs) bands (ev): -16.9227 -16.9227 -16.2675 -16.2662 -16.2203 -16.2191 -15.2997 -15.2996 -15.2637 -15.2612 -15.2606 -15.2581 -5.9057 -5.9032 -5.8116 -5.8090 -4.7601 -4.7597 -3.2039 -3.2031 -3.1942 -3.1933 -2.9970 -2.9968 -1.1932 -1.1932 -0.8400 -0.8386 -0.7959 -0.7934 -0.0508 -0.0503 0.0775 0.0799 0.1108 0.1131 1.1015 1.1114 1.1461 1.1542 1.2531 1.2532 1.2666 1.2691 1.4803 1.4879 1.4975 1.5034 11.4807 11.4813 11.8387 11.8392 11.8633 11.8635 12.0916 12.0919 12.6354 12.6432 k = 0.3175 0.5499 0.4580 ( 4336 PWs) bands (ev): -16.9230 -16.9229 -16.2915 -16.2903 -16.1958 -16.1945 -15.2996 -15.2994 -15.2644 -15.2618 -15.2598 -15.2571 -5.9549 -5.9526 -5.7642 -5.7615 -4.7581 -4.7573 -3.2091 -3.2078 -3.1916 -3.1909 -2.9957 -2.9952 -1.1924 -1.1923 -0.8597 -0.8579 -0.7752 -0.7728 -0.0545 -0.0533 0.0638 0.0655 0.1286 0.1309 1.0785 1.0883 1.1649 1.1723 1.2470 1.2500 1.2600 1.2611 1.4868 1.4920 1.5074 1.5136 11.4750 11.4762 11.8164 11.8170 11.8717 11.8718 12.0984 12.0990 12.6030 12.6086 k = 0.3095 0.5361 0.4580 ( 4340 PWs) bands (ev): -16.9234 -16.9233 -16.3160 -16.3148 -16.1703 -16.1692 -15.2993 -15.2990 -15.2651 -15.2624 -15.2588 -15.2561 -6.0059 -6.0037 -5.7160 -5.7133 -4.7547 -4.7535 -3.2150 -3.2133 -3.1901 -3.1895 -2.9934 -2.9926 -1.1910 -1.1909 -0.8788 -0.8768 -0.7542 -0.7518 -0.0607 -0.0587 0.0520 0.0530 0.1473 0.1495 1.0545 1.0643 1.1809 1.1864 1.2266 1.2331 1.2613 1.2637 1.4999 1.5037 1.5189 1.5248 11.4650 11.4668 11.7868 11.7876 11.8789 11.8791 12.1084 12.1093 12.5677 12.5718 k = 0.3016 0.5224 0.4580 ( 4336 PWs) bands (ev): -16.9241 -16.9239 -16.3409 -16.3397 -16.1441 -16.1430 -15.2989 -15.2984 -15.2657 -15.2630 -15.2577 -15.2549 -6.0585 -6.0565 -5.6672 -5.6646 -4.7501 -4.7485 -3.2215 -3.2195 -3.1898 -3.1893 -2.9899 -2.9888 -1.1890 -1.1888 -0.8970 -0.8948 -0.7333 -0.7308 -0.0691 -0.0665 0.0420 0.0423 0.1665 0.1685 1.0298 1.0395 1.1920 1.1923 1.2026 1.2079 1.2687 1.2736 1.5168 1.5209 1.5325 1.5370 11.4505 11.4526 11.7509 11.7519 11.8852 11.8856 12.1199 12.1211 12.5319 12.5347 k = 0.2937 0.5086 0.4580 ( 4332 PWs) bands (ev): -16.9249 -16.9246 -16.3661 -16.3650 -16.1171 -16.1160 -15.2983 -15.2978 -15.2662 -15.2635 -15.2565 -15.2536 -6.1124 -6.1107 -5.6180 -5.6154 -4.7443 -4.7424 -3.2287 -3.2263 -3.1908 -3.1904 -2.9851 -2.9838 -1.1862 -1.1860 -0.9139 -0.9117 -0.7125 -0.7099 -0.0796 -0.0764 0.0332 0.0333 0.1861 0.1879 1.0044 1.0140 1.1681 1.1780 1.1979 1.1998 1.2815 1.2887 1.5344 1.5413 1.5494 1.5505 11.4309 11.4333 11.7094 11.7104 11.8912 11.8917 12.1312 12.1327 12.4974 12.4993 k = 0.2857 0.4949 0.4580 ( 4328 PWs) bands (ev): -16.9259 -16.9256 -16.3916 -16.3906 -16.0894 -16.0883 -15.2976 -15.2970 -15.2666 -15.2638 -15.2553 -15.2524 -6.1676 -6.1660 -5.5685 -5.5660 -4.7375 -4.7352 -3.2365 -3.2338 -3.1932 -3.1929 -2.9792 -2.9777 -1.1826 -1.1824 -0.9296 -0.9273 -0.6919 -0.6893 -0.0916 -0.0879 0.0252 0.0257 0.2060 0.2075 0.9784 0.9876 1.1366 1.1466 1.1986 1.1987 1.2985 1.3072 1.5509 1.5614 1.5674 1.5702 11.4062 11.4088 11.6629 11.6640 11.8972 11.8977 12.1404 12.1420 12.4666 12.4679 k = 0.2778 0.4811 0.4580 ( 4330 PWs) bands (ev): -16.9270 -16.9267 -16.4173 -16.4163 -16.0610 -16.0600 -15.2968 -15.2961 -15.2668 -15.2640 -15.2541 -15.2511 -6.2239 -6.2224 -5.5189 -5.5164 -4.7297 -4.7270 -3.2450 -3.2419 -3.1969 -3.1968 -2.9721 -2.9703 -1.1782 -1.1780 -0.9438 -0.9414 -0.6715 -0.6689 -0.1047 -0.1008 0.0179 0.0187 0.2259 0.2270 0.9515 0.9602 1.1042 1.1141 1.1952 1.1965 1.3180 1.3276 1.5669 1.5777 1.5903 1.5936 11.3764 11.3791 11.6120 11.6131 11.9036 11.9039 12.1453 12.1470 12.4412 12.4423 k = 0.2698 0.4674 0.4580 ( 4330 PWs) bands (ev): -16.9284 -16.9280 -16.4431 -16.4421 -16.0321 -16.0310 -15.2959 -15.2950 -15.2669 -15.2641 -15.2528 -15.2497 -6.2809 -6.2796 -5.4692 -5.4669 -4.7210 -4.7180 -3.2542 -3.2508 -3.2021 -3.2021 -2.9637 -2.9617 -1.1729 -1.1727 -0.9565 -0.9540 -0.6513 -0.6488 -0.1186 -0.1145 0.0110 0.0119 0.2457 0.2463 0.9237 0.9317 1.0718 1.0813 1.1902 1.1924 1.3389 1.3489 1.5832 1.5937 1.6151 1.6183 11.3418 11.3444 11.5571 11.5584 11.9105 11.9107 12.1443 12.1458 12.4220 12.4237 k = 0.2619 0.4536 0.4580 ( 4330 PWs) bands (ev): -16.9299 -16.9295 -16.4689 -16.4680 -16.0026 -16.0015 -15.2949 -15.2939 -15.2669 -15.2641 -15.2515 -15.2484 -6.3386 -6.3375 -5.4196 -5.4174 -4.7115 -4.7081 -3.2641 -3.2604 -3.2088 -3.2087 -2.9541 -2.9520 -1.1667 -1.1664 -0.9674 -0.9650 -0.6314 -0.6289 -0.1331 -0.1289 0.0042 0.0052 0.2650 0.2652 0.8949 0.9020 1.0399 1.0487 1.1843 1.1871 1.3604 1.3707 1.6002 1.6105 1.6405 1.6437 11.3025 11.3052 11.4988 11.5002 11.9182 11.9183 12.1366 12.1376 12.4078 12.4109 k = 0.2540 0.4399 0.4580 ( 4334 PWs) bands (ev): -16.9315 -16.9311 -16.4947 -16.4938 -15.9726 -15.9716 -15.2938 -15.2927 -15.2667 -15.2639 -15.2502 -15.2470 -6.3969 -6.3958 -5.3702 -5.3681 -4.7013 -4.6976 -3.2746 -3.2706 -3.2170 -3.2168 -2.9433 -2.9411 -1.1595 -1.1592 -0.9766 -0.9741 -0.6118 -0.6094 -0.1479 -0.1437 -0.0027 -0.0017 0.2833 0.2837 0.8649 0.8711 1.0089 1.0169 1.1777 1.1811 1.3822 1.3927 1.6179 1.6282 1.6662 1.6693 11.2592 11.2617 11.4377 11.4391 11.9267 11.9268 12.1226 12.1229 12.3947 12.4002 k = 0.2460 0.4261 0.4580 ( 4326 PWs) bands (ev): -16.9334 -16.9329 -16.5203 -16.5195 -15.9422 -15.9412 -15.2927 -15.2915 -15.2664 -15.2635 -15.2489 -15.2457 -6.4554 -6.4545 -5.3211 -5.3191 -4.6904 -4.6863 -3.2858 -3.2816 -3.2266 -3.2263 -2.9314 -2.9291 -1.1513 -1.1509 -0.9840 -0.9815 -0.5924 -0.5901 -0.1629 -0.1587 -0.0097 -0.0087 0.3006 0.3015 0.8338 0.8389 0.9789 0.9859 1.1707 1.1745 1.4041 1.4148 1.6364 1.6467 1.6920 1.6950 11.2123 11.2146 11.3742 11.3756 11.9361 11.9363 12.1031 12.1035 12.3773 12.3857 k = 0.2381 0.4124 0.4580 ( 4320 PWs) bands (ev): -16.9353 -16.9348 -16.5459 -16.5451 -15.9114 -15.9105 -15.2914 -15.2901 -15.2659 -15.2630 -15.2476 -15.2443 -6.5141 -6.5133 -5.2724 -5.2705 -4.6788 -4.6745 -3.2976 -3.2932 -3.2377 -3.2372 -2.9185 -2.9161 -1.1420 -1.1416 -0.9894 -0.9869 -0.5732 -0.5710 -0.1779 -0.1738 -0.0170 -0.0161 0.3166 0.3181 0.8018 0.8057 0.9499 0.9559 1.1632 1.1676 1.4261 1.4368 1.6557 1.6660 1.7177 1.7207 11.1623 11.1645 11.3089 11.3104 11.9464 11.9467 12.0793 12.0805 12.3515 12.3630 k = 0.2302 0.3986 0.4580 ( 4312 PWs) bands (ev): -16.9374 -16.9369 -16.5711 -16.5704 -15.8804 -15.8796 -15.2901 -15.2887 -15.2652 -15.2624 -15.2463 -15.2430 -6.5729 -6.5722 -5.2241 -5.2223 -4.6667 -4.6621 -3.3101 -3.3055 -3.2502 -3.2495 -2.9045 -2.9022 -1.1316 -1.1312 -0.9928 -0.9903 -0.5543 -0.5523 -0.1930 -0.1890 -0.0245 -0.0237 0.3312 0.3334 0.7688 0.7716 0.9219 0.9268 1.1556 1.1604 1.4481 1.4588 1.6757 1.6861 1.7433 1.7462 11.1098 11.1119 11.2423 11.2438 11.9576 11.9581 12.0520 12.0538 12.3179 12.3318 k = 0.2222 0.3849 0.4580 ( 4316 PWs) bands (ev): -16.9396 -16.9391 -16.5961 -16.5954 -15.8492 -15.8484 -15.2887 -15.2873 -15.2644 -15.2617 -15.2450 -15.2417 -6.6315 -6.6309 -5.1763 -5.1748 -4.6540 -4.6492 -3.3232 -3.3184 -3.2640 -3.2632 -2.8897 -2.8874 -1.1202 -1.1197 -0.9942 -0.9917 -0.5356 -0.5338 -0.2081 -0.2041 -0.0323 -0.0316 0.3442 0.3470 0.7353 0.7371 0.8946 0.8985 1.1479 1.1530 1.4700 1.4807 1.6965 1.7069 1.7686 1.7714 11.0552 11.0572 11.1748 11.1763 11.9695 11.9703 12.0211 12.0233 12.2802 12.2955 k = 0.2143 0.3712 0.4580 ( 4312 PWs) bands (ev): -16.9420 -16.9414 -16.6207 -16.6201 -15.8179 -15.8172 -15.2873 -15.2858 -15.2635 -15.2608 -15.2436 -15.2403 -6.6899 -6.6893 -5.1292 -5.1278 -4.6409 -4.6358 -3.3369 -3.3320 -3.2792 -3.2782 -2.8740 -2.8717 -1.1076 -1.1071 -0.9935 -0.9911 -0.5171 -0.5155 -0.2231 -0.2193 -0.0403 -0.0397 0.3553 0.3588 0.7015 0.7023 0.8678 0.8708 1.1401 1.1456 1.4918 1.5026 1.7180 1.7285 1.7936 1.7963 10.9992 11.0010 11.1069 11.1084 11.9792 11.9831 11.9883 11.9889 12.2425 12.2584 k = 0.2063 0.3574 0.4580 ( 4324 PWs) bands (ev): -16.9444 -16.9438 -16.6450 -16.6444 -15.7866 -15.7859 -15.2859 -15.2843 -15.2625 -15.2598 -15.2423 -15.2390 -6.7478 -6.7473 -5.0827 -5.0815 -4.6273 -4.6220 -3.3513 -3.3463 -3.2957 -3.2945 -2.8577 -2.8554 -1.0939 -1.0933 -0.9908 -0.9884 -0.4989 -0.4974 -0.2379 -0.2343 -0.0485 -0.0480 0.3644 0.3685 0.6676 0.6676 0.8414 0.8436 1.1322 1.1381 1.5136 1.5245 1.7400 1.7506 1.8182 1.8209 10.9422 10.9438 11.0390 11.0405 11.9439 11.9469 11.9971 11.9972 12.2083 12.2240 k = 0.1984 0.3437 0.4580 ( 4326 PWs) bands (ev): -16.9469 -16.9463 -16.6687 -16.6681 -15.7554 -15.7546 -15.2845 -15.2828 -15.2613 -15.2587 -15.2410 -15.2377 -6.8051 -6.8046 -5.0369 -5.0360 -4.6134 -4.6078 -3.3663 -3.3611 -3.3133 -3.3119 -2.8406 -2.8384 -1.0791 -1.0784 -0.9861 -0.9837 -0.4808 -0.4796 -0.2527 -0.2492 -0.0568 -0.0565 0.3713 0.3761 0.6331 0.6339 0.8151 0.8166 1.1245 1.1306 1.5354 1.5463 1.7625 1.7733 1.8424 1.8450 10.8845 10.8861 10.9714 10.9730 11.8975 11.8997 12.0114 12.0116 12.1797 12.1946 k = 0.1905 0.3299 0.4580 ( 4314 PWs) bands (ev): -16.9495 -16.9489 -16.6919 -16.6914 -15.7242 -15.7235 -15.2830 -15.2813 -15.2600 -15.2574 -15.2397 -15.2365 -6.8617 -6.8613 -4.9919 -4.9912 -4.5990 -4.5932 -3.3819 -3.3766 -3.3320 -3.3304 -2.8231 -2.8210 -1.0631 -1.0624 -0.9794 -0.9771 -0.4628 -0.4618 -0.2672 -0.2639 -0.0653 -0.0650 0.3759 0.3814 0.5992 0.6006 0.7889 0.7897 1.1168 1.1232 1.5572 1.5681 1.7855 1.7965 1.8661 1.8687 10.8267 10.8281 10.9046 10.9060 11.8456 11.8469 12.0264 12.0266 12.1572 12.1711 k = 0.1825 0.3162 0.4580 ( 4326 PWs) bands (ev): -16.9521 -16.9515 -16.7146 -16.7141 -15.6933 -15.6927 -15.2815 -15.2798 -15.2587 -15.2561 -15.2385 -15.2352 -6.9175 -6.9171 -4.9477 -4.9472 -4.5843 -4.5783 -3.3980 -3.3927 -3.3517 -3.3500 -2.8051 -2.8032 -1.0462 -1.0453 -0.9709 -0.9686 -0.4450 -0.4443 -0.2816 -0.2785 -0.0738 -0.0736 0.3782 0.3842 0.5660 0.5680 0.7625 0.7627 1.1091 1.1157 1.5788 1.5899 1.8088 1.8200 1.8893 1.8918 10.7690 10.7703 10.8386 10.8401 11.7893 11.7896 12.0420 12.0421 12.1407 12.1534 k = 0.1746 0.3024 0.4580 ( 4334 PWs) bands (ev): -16.9548 -16.9542 -16.7366 -16.7361 -15.6628 -15.6622 -15.2801 -15.2784 -15.2572 -15.2548 -15.2372 -15.2340 -6.9722 -6.9719 -4.9043 -4.9040 -4.5693 -4.5631 -3.4148 -3.4093 -3.3724 -3.3704 -2.7869 -2.7850 -1.0281 -1.0272 -0.9604 -0.9582 -0.4273 -0.4268 -0.2957 -0.2928 -0.0823 -0.0822 0.3781 0.3846 0.5337 0.5362 0.7357 0.7360 1.1015 1.1083 1.6004 1.6116 1.8323 1.8438 1.9119 1.9144 10.7119 10.7131 10.7740 10.7754 11.7294 11.7299 12.0578 12.0580 12.1295 12.1409 k = 0.1667 0.2887 0.4580 ( 4334 PWs) bands (ev): -16.9575 -16.9569 -16.7580 -16.7575 -15.6326 -15.6321 -15.2786 -15.2769 -15.2557 -15.2533 -15.2360 -15.2328 -7.0258 -7.0255 -4.8618 -4.8617 -4.5539 -4.5477 -3.4320 -3.4266 -3.3939 -3.3917 -2.7685 -2.7667 -1.0091 -1.0081 -0.9483 -0.9461 -0.4097 -0.4095 -0.3095 -0.3068 -0.0907 -0.0906 0.3757 0.3827 0.5024 0.5054 0.7084 0.7092 1.0940 1.1009 1.6219 1.6331 1.8560 1.8676 1.9339 1.9364 10.6555 10.6566 10.7108 10.7121 11.6676 11.6687 12.0736 12.0743 12.1229 12.1329 k = 0.1587 0.2749 0.4580 ( 4336 PWs) bands (ev): -16.9602 -16.9596 -16.7786 -16.7782 -15.6030 -15.6025 -15.2772 -15.2755 -15.2541 -15.2518 -15.2348 -15.2317 -7.0781 -7.0778 -4.8203 -4.8201 -4.5384 -4.5319 -3.4498 -3.4443 -3.4160 -3.4136 -2.7500 -2.7484 -0.9892 -0.9881 -0.9345 -0.9323 -0.3923 -0.3921 -0.3230 -0.3205 -0.0990 -0.0989 0.3709 0.3783 0.4722 0.4756 0.6808 0.6821 1.0865 1.0934 1.6432 1.6545 1.8797 1.8915 1.9553 1.9577 10.6003 10.6013 10.6493 10.6506 11.6052 11.6068 12.0890 12.0907 12.1206 12.1289 k = 0.1508 0.2612 0.4580 ( 4330 PWs) bands (ev): -16.9629 -16.9623 -16.7985 -16.7981 -15.5740 -15.5735 -15.2758 -15.2741 -15.2525 -15.2502 -15.2336 -15.2306 -7.1289 -7.1287 -4.7798 -4.7794 -4.5225 -4.5160 -3.4681 -3.4626 -3.4387 -3.4361 -2.7315 -2.7300 -0.9684 -0.9672 -0.9192 -0.9171 -0.3751 -0.3746 -0.3361 -0.3338 -0.1070 -0.1070 0.3639 0.3716 0.4432 0.4470 0.6530 0.6548 1.0790 1.0859 1.6643 1.6756 1.9034 1.9154 1.9760 1.9783 10.5464 10.5473 10.5896 10.5909 11.5430 11.5449 12.1030 12.1069 12.1231 12.1285 k = 0.1429 0.2474 0.4580 ( 4336 PWs) bands (ev): -16.9656 -16.9650 -16.8176 -16.8172 -15.5457 -15.5452 -15.2744 -15.2727 -15.2508 -15.2487 -15.2324 -15.2295 -7.1782 -7.1780 -4.7402 -4.7396 -4.5065 -4.4999 -3.4869 -3.4814 -3.4619 -3.4591 -2.7133 -2.7119 -0.9469 -0.9457 -0.9025 -0.9005 -0.3581 -0.3572 -0.3486 -0.3467 -0.1147 -0.1147 0.3548 0.3626 0.4155 0.4196 0.6249 0.6271 1.0715 1.0783 1.6851 1.6965 1.9268 1.9389 1.9959 1.9982 10.4941 10.4949 10.5321 10.5333 11.4817 11.4839 12.1134 12.1220 12.1320 12.1322 k = 0.1349 0.2337 0.4580 ( 4328 PWs) bands (ev): -16.9682 -16.9677 -16.8358 -16.8355 -15.5182 -15.5177 -15.2731 -15.2714 -15.2491 -15.2471 -15.2313 -15.2285 -7.2257 -7.2256 -4.7015 -4.7007 -4.4904 -4.4837 -3.5061 -3.5007 -3.4853 -3.4824 -2.6952 -2.6940 -0.9248 -0.9235 -0.8847 -0.8828 -0.3611 -0.3591 -0.3407 -0.3398 -0.1221 -0.1219 0.3436 0.3514 0.3892 0.3935 0.5965 0.5992 1.0639 1.0707 1.7055 1.7169 1.9499 1.9621 2.0151 2.0173 10.4436 10.4444 10.4769 10.4780 11.4219 11.4242 12.1216 12.1322 12.1432 12.1454 k = 0.1270 0.2199 0.4580 ( 4332 PWs) bands (ev): -16.9708 -16.9703 -16.8533 -16.8530 -15.4916 -15.4912 -15.2718 -15.2702 -15.2475 -15.2455 -15.2302 -15.2275 -7.2714 -7.2713 -4.6638 -4.6628 -4.4741 -4.4674 -3.5257 -3.5205 -3.5089 -3.5059 -2.6776 -2.6766 -0.9023 -0.9008 -0.8659 -0.8641 -0.3728 -0.3710 -0.3237 -0.3223 -0.1288 -0.1286 0.3305 0.3380 0.3644 0.3686 0.5679 0.5711 1.0564 1.0630 1.7254 1.7367 1.9726 1.9848 2.0334 2.0356 10.3950 10.3957 10.4240 10.4250 11.3640 11.3664 12.1302 12.1403 12.1583 12.1604 k = 0.1190 0.2062 0.4580 ( 4336 PWs) bands (ev): -16.9733 -16.9728 -16.8698 -16.8695 -15.4660 -15.4656 -15.2706 -15.2690 -15.2458 -15.2439 -15.2292 -15.2266 -7.3152 -7.3151 -4.6271 -4.6259 -4.4577 -4.4510 -3.5457 -3.5407 -3.5324 -3.5295 -2.6605 -2.6596 -0.8793 -0.8779 -0.8464 -0.8446 -0.3840 -0.3824 -0.3066 -0.3049 -0.1349 -0.1346 0.3158 0.3225 0.3412 0.3450 0.5392 0.5429 1.0488 1.0552 1.7448 1.7560 1.9946 2.0068 2.0508 2.0530 10.3486 10.3493 10.3737 10.3746 11.3083 11.3107 12.1402 12.1496 12.1738 12.1756 k = 0.1111 0.1925 0.4580 ( 4344 PWs) bands (ev): -16.9757 -16.9752 -16.8853 -16.8851 -15.4415 -15.4411 -15.2694 -15.2679 -15.2441 -15.2424 -15.2282 -15.2257 -7.3568 -7.3567 -4.5915 -4.5900 -4.4413 -4.4347 -3.5659 -3.5616 -3.5554 -3.5530 -2.6441 -2.6432 -0.8563 -0.8547 -0.8263 -0.8247 -0.3946 -0.3932 -0.2895 -0.2874 -0.1401 -0.1396 0.2994 0.3048 0.3196 0.3226 0.5106 0.5147 1.0412 1.0474 1.7636 1.7746 2.0160 2.0281 2.0673 2.0695 10.3045 10.3051 10.3260 10.3269 11.2552 11.2575 12.1516 12.1604 12.1890 12.1905 k = 0.1032 0.1787 0.4580 ( 4340 PWs) bands (ev): -16.9780 -16.9776 -16.9000 -16.8997 -15.4182 -15.4178 -15.2683 -15.2669 -15.2425 -15.2409 -15.2272 -15.2249 -7.3962 -7.3961 -4.5569 -4.5553 -4.4250 -4.4184 -3.5864 -3.5833 -3.5775 -3.5761 -2.6283 -2.6275 -0.8332 -0.8317 -0.8059 -0.8044 -0.4045 -0.4034 -0.2723 -0.2698 -0.1443 -0.1436 0.2817 0.2854 0.2993 0.3012 0.4822 0.4869 1.0336 1.0395 1.7816 1.7923 2.0365 2.0484 2.0829 2.0851 10.2629 10.2635 10.2812 10.2820 11.2048 11.2071 12.1643 12.1725 12.2036 12.2050 k = 0.0952 0.1650 0.4580 ( 4344 PWs) bands (ev): -16.9803 -16.9798 -16.9136 -16.9134 -15.3962 -15.3959 -15.2673 -15.2659 -15.2410 -15.2394 -15.2263 -15.2242 -7.4332 -7.4331 -4.5234 -4.5217 -4.4088 -4.4023 -3.6071 -3.6056 -3.5989 -3.5988 -2.6132 -2.6126 -0.8104 -0.8088 -0.7855 -0.7842 -0.4138 -0.4129 -0.2551 -0.2522 -0.1473 -0.1464 0.2628 0.2653 0.2793 0.2805 0.4542 0.4594 1.0261 1.0317 1.7988 1.8092 2.0560 2.0677 2.0976 2.0998 10.2239 10.2244 10.2393 10.2400 11.1575 11.1597 12.1779 12.1855 12.2176 12.2188 k = 0.0873 0.1512 0.4580 ( 4336 PWs) bands (ev): -16.9823 -16.9819 -16.9262 -16.9260 -15.3755 -15.3753 -15.2663 -15.2650 -15.2395 -15.2380 -15.2255 -15.2235 -7.4677 -7.4677 -4.4912 -4.4893 -4.3928 -4.3864 -3.6279 -3.6278 -3.6209 -3.6196 -2.5991 -2.5986 -0.7880 -0.7865 -0.7655 -0.7643 -0.4224 -0.4216 -0.2378 -0.2345 -0.1488 -0.1476 0.2430 0.2449 0.2591 0.2604 0.4271 0.4328 1.0187 1.0240 1.8151 1.8250 2.0745 2.0858 2.1112 2.1134 10.1876 10.1880 10.2004 10.2010 11.1135 11.1155 12.1921 12.1993 12.2308 12.2319 k = 0.0794 0.1375 0.4580 ( 4336 PWs) bands (ev): -16.9843 -16.9839 -16.9378 -16.9377 -15.3564 -15.3561 -15.2653 -15.2642 -15.2381 -15.2367 -15.2247 -15.2228 -7.4997 -7.4996 -4.4603 -4.4583 -4.3771 -4.3710 -3.6496 -3.6486 -3.6421 -3.6400 -2.5859 -2.5855 -0.7662 -0.7648 -0.7460 -0.7450 -0.4302 -0.4297 -0.2204 -0.2166 -0.1487 -0.1472 0.2224 0.2243 0.2385 0.2404 0.4011 0.4073 1.0116 1.0165 1.8304 1.8398 2.0917 2.1026 2.1238 2.1260 10.1541 10.1545 10.1645 10.1651 11.0727 11.0747 12.2066 12.2133 12.2431 12.2441 k = 0.0714 0.1237 0.4580 ( 4340 PWs) bands (ev): -16.9861 -16.9857 -16.9484 -16.9482 -15.3388 -15.3386 -15.2645 -15.2634 -15.2367 -15.2355 -15.2239 -15.2223 -7.5289 -7.5289 -4.4309 -4.4289 -4.3619 -4.3560 -3.6705 -3.6689 -3.6624 -3.6599 -2.5738 -2.5735 -0.7455 -0.7441 -0.7275 -0.7267 -0.4373 -0.4369 -0.2028 -0.1987 -0.1467 -0.1448 0.2011 0.2035 0.2174 0.2203 0.3767 0.3832 1.0047 1.0093 1.8446 1.8533 2.1077 2.1179 2.1354 2.1376 10.1235 10.1239 10.1319 10.1324 11.0356 11.0373 12.2210 12.2272 12.2545 12.2554 k = 0.0635 0.1100 0.4580 ( 4344 PWs) bands (ev): -16.9877 -16.9874 -16.9579 -16.9578 -15.3228 -15.3226 -15.2637 -15.2627 -15.2355 -15.2344 -15.2233 -15.2217 -7.5554 -7.5553 -4.4032 -4.4011 -4.3473 -4.3418 -3.6903 -3.6885 -3.6818 -3.6792 -2.5628 -2.5625 -0.7259 -0.7247 -0.7102 -0.7096 -0.4435 -0.4433 -0.1852 -0.1806 -0.1427 -0.1404 0.1794 0.1823 0.1960 0.1998 0.3545 0.3611 0.9983 1.0024 1.8576 1.8656 2.1222 2.1317 2.1460 2.1481 10.0959 10.0962 10.1025 10.1030 11.0020 11.0036 12.2350 12.2406 12.2650 12.2658 k = 0.0556 0.0962 0.4580 ( 4348 PWs) bands (ev): -16.9892 -16.9889 -16.9663 -16.9662 -15.3086 -15.3084 -15.2630 -15.2621 -15.2344 -15.2335 -15.2226 -15.2213 -7.5790 -7.5789 -4.3774 -4.3753 -4.3335 -4.3284 -3.7088 -3.7071 -3.7000 -3.6976 -2.5529 -2.5527 -0.7078 -0.7067 -0.6944 -0.6940 -0.4490 -0.4489 -0.1675 -0.1625 -0.1365 -0.1338 0.1574 0.1607 0.1742 0.1786 0.3348 0.3413 0.9923 0.9960 1.8694 1.8766 2.1352 2.1438 2.1556 2.1575 10.0714 10.0717 10.0764 10.0768 10.9722 10.9736 12.2481 12.2531 12.2745 12.2753 k = 0.0476 0.0825 0.4580 ( 4352 PWs) bands (ev): -16.9904 -16.9902 -16.9736 -16.9735 -15.2961 -15.2959 -15.2623 -15.2616 -15.2334 -15.2326 -15.2221 -15.2209 -7.5996 -7.5995 -4.3537 -4.3518 -4.3207 -4.3161 -3.7257 -3.7242 -3.7169 -3.7148 -2.5442 -2.5440 -0.6915 -0.6905 -0.6804 -0.6802 -0.4537 -0.4537 -0.1497 -0.1444 -0.1280 -0.1249 0.1354 0.1388 0.1522 0.1567 0.3179 0.3240 0.9869 0.9901 1.8798 1.8862 2.1465 2.1541 2.1642 2.1658 10.0501 10.0503 10.0537 10.0541 10.9462 10.9474 12.2601 12.2644 12.2830 12.2837 k = 0.0397 0.0687 0.4580 ( 4352 PWs) bands (ev): -16.9915 -16.9913 -16.9798 -16.9798 -15.2855 -15.2853 -15.2617 -15.2611 -15.2325 -15.2319 -15.2216 -15.2206 -7.6171 -7.6171 -4.3326 -4.3308 -4.3092 -4.3051 -3.7408 -3.7397 -3.7321 -3.7305 -2.5368 -2.5367 -0.6771 -0.6764 -0.6683 -0.6683 -0.4576 -0.4576 -0.1319 -0.1267 -0.1171 -0.1140 0.1136 0.1167 0.1302 0.1343 0.3041 0.3094 0.9822 0.9849 1.8889 1.8943 2.1563 2.1625 2.1718 2.1730 10.0319 10.0321 10.0344 10.0347 10.9241 10.9251 12.2705 12.2742 12.2906 12.2912 k = 0.0317 0.0550 0.4580 ( 4344 PWs) bands (ev): -16.9924 -16.9923 -16.9849 -16.9849 -15.2768 -15.2766 -15.2612 -15.2607 -15.2318 -15.2313 -15.2211 -15.2204 -7.6316 -7.6316 -4.3143 -4.3128 -4.2991 -4.2957 -3.7538 -3.7530 -3.7452 -3.7441 -2.5307 -2.5306 -0.6651 -0.6646 -0.6584 -0.6582 -0.4608 -0.4607 -0.1145 -0.1099 -0.1039 -0.1013 0.0924 0.0950 0.1087 0.1119 0.2931 0.2975 0.9783 0.9805 1.8965 1.9009 2.1642 2.1691 2.1783 2.1790 10.0170 10.0171 10.0186 10.0188 10.9060 10.9068 12.2792 12.2821 12.2972 12.2976 k = 0.0238 0.0412 0.4580 ( 4328 PWs) bands (ev): -16.9931 -16.9930 -16.9889 -16.9889 -15.2701 -15.2700 -15.2605 -15.2603 -15.2312 -15.2308 -15.2208 -15.2202 -7.6429 -7.6429 -4.2994 -4.2981 -4.2908 -4.2882 -3.7644 -3.7640 -3.7559 -3.7553 -2.5259 -2.5258 -0.6556 -0.6554 -0.6505 -0.6502 -0.4632 -0.4631 -0.0976 -0.0947 -0.0889 -0.0876 0.0725 0.0742 0.0885 0.0905 0.2850 0.2884 0.9752 0.9769 1.9026 1.9060 2.1705 2.1740 2.1835 2.1839 10.0053 10.0054 10.0062 10.0064 10.8919 10.8925 12.2860 12.2881 12.3027 12.3029 k = 0.0159 0.0275 0.4580 ( 4326 PWs) bands (ev): -16.9936 -16.9935 -16.9917 -16.9917 -15.2657 -15.2655 -15.2597 -15.2596 -15.2308 -15.2305 -15.2205 -15.2201 -7.6510 -7.6510 -4.2883 -4.2874 -4.2846 -4.2827 -3.7723 -3.7721 -3.7638 -3.7635 -2.5224 -2.5224 -0.6490 -0.6489 -0.6447 -0.6444 -0.4648 -0.4647 -0.0821 -0.0806 -0.0748 -0.0746 0.0551 0.0558 0.0707 0.0715 0.2794 0.2817 0.9731 0.9742 1.9072 1.9094 2.1750 2.1773 2.1874 2.1875 9.9970 9.9970 9.9974 9.9976 10.8818 10.8822 12.2908 12.2921 12.3068 12.3069 k = 0.0079 0.0137 0.4580 ( 4326 PWs) bands (ev): -16.9939 -16.9939 -16.9934 -16.9934 -15.2635 -15.2633 -15.2588 -15.2587 -15.2305 -15.2303 -15.2203 -15.2201 -7.6558 -7.6558 -4.2814 -4.2809 -4.2805 -4.2795 -3.7772 -3.7772 -3.7687 -3.7686 -2.5203 -2.5203 -0.6451 -0.6451 -0.6409 -0.6407 -0.4658 -0.4658 -0.0700 -0.0693 -0.0647 -0.0646 0.0421 0.0423 0.0576 0.0577 0.2764 0.2776 0.9719 0.9724 1.9101 1.9113 2.1779 2.1790 2.1897 2.1897 9.9919 9.9919 9.9922 9.9923 10.8757 10.8760 12.2938 12.2944 12.3093 12.3093 k = 0.0000 0.0000 0.4580 ( 4318 PWs) bands (ev): -16.9941 -16.9941 -16.9940 -16.9940 -15.2628 -15.2628 -15.2583 -15.2583 -15.2303 -15.2303 -15.2201 -15.2201 -7.6575 -7.6575 -4.2790 -4.2790 -4.2786 -4.2786 -3.7789 -3.7789 -3.7704 -3.7704 -2.5196 -2.5196 -0.6438 -0.6438 -0.6396 -0.6396 -0.4661 -0.4661 -0.0647 -0.0647 -0.0610 -0.0610 0.0371 0.0371 0.0526 0.0526 0.2758 0.2758 0.9717 0.9717 1.9115 1.9115 2.1793 2.1793 2.1904 2.1904 9.9902 9.9902 9.9905 9.9905 10.8738 10.8738 12.2950 12.2950 12.3102 12.3102 k = 0.5000 0.2887 0.4580 ( 4336 PWs) bands (ev): -16.9362 -16.9362 -16.4918 -16.4918 -15.9769 -15.9769 -15.2912 -15.2912 -15.2643 -15.2643 -15.2411 -15.2411 -6.4178 -6.4178 -5.4382 -5.4382 -4.5674 -4.5674 -3.3558 -3.3558 -3.1544 -3.1544 -2.9470 -2.9470 -1.1546 -1.1546 -1.1150 -1.1150 -0.4257 -0.4257 -0.2357 -0.2357 -0.0528 -0.0528 0.5774 0.5774 0.7344 0.7344 0.8159 0.8159 1.2243 1.2243 1.4376 1.4376 1.4801 1.4801 1.8270 1.8270 11.3320 11.3320 11.7002 11.7002 11.7437 11.7437 11.9046 11.9046 12.2226 12.2226 k = 0.5000 0.2887 0.4422 ( 4328 PWs) bands (ev): -16.9363 -16.9363 -16.4919 -16.4919 -15.9767 -15.9765 -15.2912 -15.2911 -15.2644 -15.2642 -15.2412 -15.2411 -6.4186 -6.4183 -5.4385 -5.4383 -4.5661 -4.5657 -3.3597 -3.3584 -3.1508 -3.1498 -2.9479 -2.9479 -1.1543 -1.1541 -1.1146 -1.1146 -0.4265 -0.4257 -0.2354 -0.2352 -0.0532 -0.0532 0.5740 0.5759 0.7344 0.7345 0.8166 0.8178 1.2198 1.2207 1.4362 1.4371 1.4832 1.4841 1.8281 1.8287 11.3165 11.3172 11.7149 11.7159 11.7364 11.7373 11.9051 11.9057 12.2311 12.2315 k = 0.5000 0.2887 0.4264 ( 4330 PWs) bands (ev): -16.9368 -16.9367 -16.4920 -16.4920 -15.9761 -15.9757 -15.2910 -15.2908 -15.2644 -15.2642 -15.2416 -15.2412 -6.4206 -6.4201 -5.4392 -5.4389 -4.5619 -4.5611 -3.3693 -3.3670 -3.1396 -3.1379 -2.9507 -2.9506 -1.1532 -1.1528 -1.1137 -1.1137 -0.4282 -0.4266 -0.2342 -0.2337 -0.0545 -0.0544 0.5659 0.5695 0.7344 0.7347 0.8198 0.8221 1.2081 1.2096 1.4330 1.4347 1.4929 1.4944 1.8321 1.8331 11.2768 11.2779 11.7170 11.7186 11.7536 11.7554 11.9073 11.9086 12.2554 12.2561 k = 0.5000 0.2887 0.4107 ( 4326 PWs) bands (ev): -16.9375 -16.9373 -16.4923 -16.4923 -15.9749 -15.9743 -15.2907 -15.2903 -15.2645 -15.2641 -15.2421 -15.2416 -6.4239 -6.4231 -5.4403 -5.4398 -4.5548 -4.5536 -3.3830 -3.3800 -3.1226 -3.1204 -2.9553 -2.9552 -1.1513 -1.1507 -1.1121 -1.1120 -0.4307 -0.4283 -0.2321 -0.2314 -0.0566 -0.0564 0.5537 0.5588 0.7345 0.7349 0.8251 0.8282 1.1905 1.1926 1.4279 1.4303 1.5076 1.5095 1.8387 1.8402 11.2233 11.2247 11.6885 11.6908 11.8039 11.8068 11.9125 11.9150 12.2924 12.2930 k = 0.5000 0.2887 0.3949 ( 4330 PWs) bands (ev): -16.9385 -16.9383 -16.4928 -16.4927 -15.9732 -15.9724 -15.2902 -15.2897 -15.2646 -15.2641 -15.2427 -15.2421 -6.4283 -6.4273 -5.4418 -5.4411 -4.5448 -4.5432 -3.3992 -3.3956 -3.1013 -3.0989 -2.9617 -2.9616 -1.1487 -1.1479 -1.1098 -1.1098 -0.4339 -0.4308 -0.2293 -0.2283 -0.0594 -0.0592 0.5379 0.5443 0.7344 0.7350 0.8319 0.8357 1.1691 1.1717 1.4211 1.4241 1.5257 1.5279 1.8478 1.8497 11.1631 11.1646 11.6543 11.6570 11.8528 11.8572 11.9262 11.9305 12.3381 12.3383 k = 0.5000 0.2887 0.3791 ( 4320 PWs) bands (ev): -16.9398 -16.9395 -16.4933 -16.4932 -15.9711 -15.9701 -15.2895 -15.2889 -15.2646 -15.2640 -15.2435 -15.2427 -6.4338 -6.4326 -5.4437 -5.4428 -4.5320 -4.5301 -3.4165 -3.4126 -3.0772 -3.0746 -2.9700 -2.9698 -1.1453 -1.1443 -1.1069 -1.1068 -0.4379 -0.4341 -0.2257 -0.2246 -0.0629 -0.0625 0.5193 0.5267 0.7341 0.7349 0.8397 0.8439 1.1451 1.1481 1.4128 1.4162 1.5458 1.5481 1.8592 1.8614 11.1001 11.1016 11.6169 11.6199 11.8833 11.8874 11.9632 11.9676 12.3885 12.3890 k = 0.5000 0.2887 0.3633 ( 4320 PWs) bands (ev): -16.9413 -16.9409 -16.4939 -16.4939 -15.9685 -15.9673 -15.2888 -15.2879 -15.2647 -15.2639 -15.2445 -15.2435 -6.4404 -6.4389 -5.4459 -5.4449 -4.5166 -4.5144 -3.4344 -3.4302 -3.0511 -3.0485 -2.9800 -2.9798 -1.1413 -1.1400 -1.1033 -1.1032 -0.4426 -0.4380 -0.2217 -0.2203 -0.0669 -0.0664 0.4984 0.5066 0.7333 0.7344 0.8481 0.8525 1.1198 1.1232 1.4031 1.4069 1.5669 1.5693 1.8725 1.8750 11.0362 11.0378 11.5780 11.5811 11.8968 11.8995 12.0188 12.0221 12.4395 12.4412 k = 0.5000 0.2887 0.3475 ( 4324 PWs) bands (ev): -16.9430 -16.9426 -16.4946 -16.4946 -15.9655 -15.9642 -15.2878 -15.2869 -15.2648 -15.2639 -15.2456 -15.2445 -6.4478 -6.4462 -5.4484 -5.4473 -4.4987 -4.4961 -3.4521 -3.4478 -3.0237 -3.0211 -2.9918 -2.9916 -1.1365 -1.1351 -1.0990 -1.0989 -0.4479 -0.4425 -0.2173 -0.2156 -0.0712 -0.0706 0.4756 0.4845 0.7318 0.7332 0.8568 0.8612 1.0941 1.0978 1.3922 1.3963 1.5883 1.5908 1.8876 1.8902 10.9728 10.9743 11.5387 11.5419 11.9047 11.9065 12.0775 12.0804 12.4859 12.4894 k = 0.5000 0.2887 0.3317 ( 4320 PWs) bands (ev): -16.9448 -16.9444 -16.4954 -16.4954 -15.9621 -15.9606 -15.2868 -15.2857 -15.2649 -15.2638 -15.2468 -15.2456 -6.4560 -6.4543 -5.4513 -5.4500 -4.4783 -4.4755 -3.4695 -3.4651 -3.0057 -3.0052 -2.9950 -2.9929 -1.1311 -1.1295 -1.0940 -1.0939 -0.4536 -0.4475 -0.2128 -0.2109 -0.0755 -0.0748 0.4513 0.4607 0.7294 0.7311 0.8653 0.8698 1.0687 1.0728 1.3803 1.3847 1.6096 1.6121 1.9040 1.9068 10.9104 10.9119 11.4998 11.5031 11.9113 11.9126 12.1336 12.1364 12.5195 12.5251 k = 0.5000 0.2887 0.3159 ( 4324 PWs) bands (ev): -16.9469 -16.9465 -16.4963 -16.4962 -15.9584 -15.9568 -15.2857 -15.2844 -15.2650 -15.2637 -15.2482 -15.2468 -6.4649 -6.4630 -5.4543 -5.4530 -4.4557 -4.4526 -3.4863 -3.4818 -3.0208 -3.0204 -2.9663 -2.9641 -1.1251 -1.1233 -1.0884 -1.0882 -0.4597 -0.4529 -0.2087 -0.2065 -0.0796 -0.0787 0.4258 0.4356 0.7255 0.7276 0.8737 0.8780 1.0444 1.0489 1.3676 1.3721 1.6304 1.6329 1.9216 1.9244 10.8496 10.8511 11.4617 11.4650 11.9175 11.9185 12.1844 12.1873 12.5325 12.5394 k = 0.5000 0.2887 0.3001 ( 4338 PWs) bands (ev): -16.9491 -16.9486 -16.4972 -16.4972 -15.9544 -15.9527 -15.2845 -15.2830 -15.2651 -15.2637 -15.2496 -15.2482 -6.4743 -6.4723 -5.4577 -5.4562 -4.4310 -4.4277 -3.5024 -3.4978 -3.0378 -3.0374 -2.9372 -2.9352 -1.1186 -1.1166 -1.0821 -1.0819 -0.4661 -0.4586 -0.2053 -0.2028 -0.0828 -0.0818 0.3993 0.4094 0.7198 0.7223 0.8819 0.8860 1.0218 1.0266 1.3541 1.3588 1.6505 1.6531 1.9401 1.9429 10.7908 10.7922 11.4247 11.4280 11.9239 11.9247 12.2280 12.2311 12.5256 12.5327 k = 0.5000 0.2887 0.2843 ( 4334 PWs) bands (ev): -16.9514 -16.9509 -16.4982 -16.4982 -15.9502 -15.9483 -15.2833 -15.2816 -15.2651 -15.2636 -15.2511 -15.2496 -6.4841 -6.4821 -5.4612 -5.4597 -4.4043 -4.4008 -3.5176 -3.5131 -3.0565 -3.0559 -2.9080 -2.9061 -1.1116 -1.1094 -1.0751 -1.0749 -0.4725 -0.4644 -0.2031 -0.2005 -0.0847 -0.0836 0.3721 0.3825 0.7119 0.7148 0.8897 0.8936 1.0016 1.0068 1.3401 1.3448 1.6698 1.6723 1.9592 1.9620 10.7342 10.7356 11.3892 11.3924 11.9306 11.9313 12.2630 12.2663 12.5064 12.5130 k = 0.5000 0.2887 0.2685 ( 4332 PWs) bands (ev): -16.9538 -16.9533 -16.4993 -16.4992 -15.9457 -15.9437 -15.2820 -15.2801 -15.2652 -15.2635 -15.2527 -15.2511 -6.4942 -6.4921 -5.4648 -5.4633 -4.3758 -4.3722 -3.5319 -3.5275 -3.0767 -3.0761 -2.8790 -2.8773 -1.1043 -1.1020 -1.0675 -1.0673 -0.4789 -0.4702 -0.2028 -0.2000 -0.0847 -0.0836 0.3443 0.3549 0.7014 0.7047 0.8972 0.9008 0.9843 0.9897 1.3256 1.3304 1.6882 1.6906 1.9786 1.9814 10.6800 10.6813 11.3552 11.3584 11.9377 11.9383 12.2889 12.2922 12.4810 12.4870 k = 0.5000 0.2887 0.2527 ( 4330 PWs) bands (ev): -16.9563 -16.9557 -16.5003 -16.5003 -15.9411 -15.9391 -15.2807 -15.2786 -15.2653 -15.2634 -15.2543 -15.2527 -6.5044 -6.5023 -5.4685 -5.4670 -4.3457 -4.3420 -3.5453 -3.5410 -3.0984 -3.0977 -2.8504 -2.8489 -1.0967 -1.0942 -1.0593 -1.0592 -0.4850 -0.4758 -0.2046 -0.2018 -0.0824 -0.0813 0.3160 0.3268 0.6882 0.6917 0.9043 0.9077 0.9702 0.9758 1.3109 1.3156 1.7054 1.7078 1.9982 2.0009 10.6283 10.6296 11.3229 11.3259 11.9452 11.9457 12.3057 12.3091 12.4531 12.4585 k = 0.5000 0.2887 0.2369 ( 4330 PWs) bands (ev): -16.9587 -16.9582 -16.5014 -16.5013 -15.9364 -15.9343 -15.2793 -15.2771 -15.2654 -15.2632 -15.2560 -15.2544 -6.5146 -6.5125 -5.4723 -5.4708 -4.3142 -4.3104 -3.5577 -3.5535 -3.1216 -3.1209 -2.8224 -2.8211 -1.0890 -1.0863 -1.0506 -1.0505 -0.4906 -0.4810 -0.2086 -0.2060 -0.0776 -0.0767 0.2876 0.2984 0.6722 0.6759 0.9112 0.9143 0.9595 0.9651 1.2960 1.3007 1.7216 1.7240 2.0177 2.0202 10.5794 10.5806 11.2923 11.2952 11.9531 11.9537 12.3144 12.3178 12.4245 12.4293 k = 0.5000 0.2887 0.2211 ( 4340 PWs) bands (ev): -16.9612 -16.9607 -16.5025 -16.5024 -15.9316 -15.9296 -15.2781 -15.2756 -15.2654 -15.2631 -15.2576 -15.2560 -6.5248 -6.5227 -5.4762 -5.4746 -4.2815 -4.2776 -3.5692 -3.5652 -3.1462 -3.1453 -2.7952 -2.7940 -1.0812 -1.0785 -1.0414 -1.0413 -0.4957 -0.4856 -0.2147 -0.2122 -0.0706 -0.0699 0.2590 0.2699 0.6538 0.6575 0.9177 0.9206 0.9518 0.9574 1.2811 1.2856 1.7366 1.7389 2.0369 2.0393 10.5332 10.5344 11.2635 11.2663 11.9615 11.9620 12.3162 12.3196 12.3962 12.4006 k = 0.5000 0.2887 0.2053 ( 4340 PWs) bands (ev): -16.9636 -16.9631 -16.5036 -16.5035 -15.9269 -15.9249 -15.2769 -15.2741 -15.2654 -15.2631 -15.2591 -15.2577 -6.5347 -6.5327 -5.4799 -5.4784 -4.2478 -4.2438 -3.5798 -3.5759 -3.1720 -3.1710 -2.7688 -2.7678 -1.0735 -1.0707 -1.0319 -1.0318 -0.5000 -0.4896 -0.2224 -0.2201 -0.0618 -0.0613 0.2306 0.2414 0.6334 0.6370 0.9240 0.9266 0.9470 0.9524 1.2662 1.2707 1.7505 1.7527 2.0556 2.0579 10.4900 10.4911 11.2365 11.2392 11.9702 11.9708 12.3125 12.3158 12.3691 12.3729 k = 0.5000 0.2887 0.1895 ( 4340 PWs) bands (ev): -16.9660 -16.9655 -16.5046 -16.5046 -15.9222 -15.9202 -15.2757 -15.2728 -15.2655 -15.2633 -15.2602 -15.2593 -6.5443 -6.5423 -5.4836 -5.4821 -4.2132 -4.2092 -3.5894 -3.5857 -3.1989 -3.1978 -2.7436 -2.7428 -1.0660 -1.0631 -1.0221 -1.0220 -0.5033 -0.4927 -0.2313 -0.2292 -0.0515 -0.0512 0.2024 0.2131 0.6115 0.6150 0.9301 0.9324 0.9444 0.9495 1.2516 1.2559 1.7633 1.7653 2.0737 2.0758 10.4497 10.4507 11.2115 11.2140 11.9795 11.9801 12.3045 12.3079 12.3434 12.3467 k = 0.5000 0.2887 0.1737 ( 4344 PWs) bands (ev): -16.9683 -16.9678 -16.5056 -16.5056 -15.9177 -15.9157 -15.2747 -15.2717 -15.2654 -15.2640 -15.2608 -15.2607 -6.5535 -6.5516 -5.4872 -5.4858 -4.1780 -4.1740 -3.5981 -3.5946 -3.2268 -3.2256 -2.7197 -2.7190 -1.0588 -1.0560 -1.0121 -1.0120 -0.5056 -0.4949 -0.2411 -0.2391 -0.0401 -0.0400 0.1746 0.1851 0.5886 0.5919 0.9360 0.9380 0.9435 0.9483 1.2372 1.2414 1.7748 1.7768 2.0909 2.0929 10.4125 10.4134 11.1884 11.1907 11.9891 11.9898 12.2934 12.2969 12.3197 12.3224 k = 0.5000 0.2887 0.1579 ( 4344 PWs) bands (ev): -16.9704 -16.9700 -16.5066 -16.5066 -15.9133 -15.9115 -15.2738 -15.2707 -15.2655 -15.2651 -15.2619 -15.2609 -6.5621 -6.5604 -5.4907 -5.4893 -4.1424 -4.1385 -3.6059 -3.6027 -3.2555 -3.2542 -2.6972 -2.6966 -1.0521 -1.0493 -1.0021 -1.0021 -0.5067 -0.4960 -0.2513 -0.2495 -0.0280 -0.0279 0.1475 0.1577 0.5653 0.5685 0.9417 0.9435 0.9440 0.9484 1.2234 1.2273 1.7853 1.7871 2.1071 2.1089 10.3783 10.3792 11.1672 11.1694 11.9992 11.9999 12.2797 12.2834 12.2981 12.3001 k = 0.5000 0.2887 0.1421 ( 4346 PWs) bands (ev): -16.9725 -16.9721 -16.5075 -16.5075 -15.9092 -15.9074 -15.2730 -15.2701 -15.2663 -15.2657 -15.2626 -15.2606 -6.5702 -6.5686 -5.4939 -5.4926 -4.1068 -4.1029 -3.6128 -3.6099 -3.2848 -3.2834 -2.6763 -2.6758 -1.0459 -1.0432 -0.9923 -0.9922 -0.5066 -0.4961 -0.2616 -0.2601 -0.0155 -0.0153 0.1213 0.1312 0.5421 0.5450 0.9453 0.9474 0.9487 0.9495 1.2102 1.2138 1.7946 1.7963 2.1223 2.1239 10.3473 10.3481 11.1480 11.1500 12.0096 12.0105 12.2642 12.2681 12.2789 12.2803 k = 0.5000 0.2887 0.1264 ( 4336 PWs) bands (ev): -16.9743 -16.9740 -16.5084 -16.5083 -15.9053 -15.9037 -15.2725 -15.2699 -15.2674 -15.2662 -15.2626 -15.2603 -6.5776 -6.5761 -5.4969 -5.4957 -4.0713 -4.0677 -3.6189 -3.6163 -3.3143 -3.3128 -2.6572 -2.6568 -1.0404 -1.0378 -0.9827 -0.9827 -0.5052 -0.4951 -0.2718 -0.2704 -0.0028 -0.0025 0.0963 0.1057 0.5194 0.5221 0.9473 0.9510 0.9526 0.9538 1.1977 1.2011 1.8029 1.8044 2.1362 2.1376 10.3195 10.3202 11.1307 11.1325 12.0205 12.0215 12.2480 12.2519 12.2615 12.2626 k = 0.5000 0.2887 0.1106 ( 4336 PWs) bands (ev): -16.9760 -16.9757 -16.5092 -16.5091 -15.9017 -15.9003 -15.2723 -15.2702 -15.2682 -15.2667 -15.2622 -15.2599 -6.5843 -6.5830 -5.4996 -5.4985 -4.0366 -4.0331 -3.6242 -3.6219 -3.3438 -3.3422 -2.6399 -2.6396 -1.0355 -1.0331 -0.9737 -0.9736 -0.5028 -0.4932 -0.2815 -0.2804 0.0098 0.0103 0.0729 0.0816 0.4976 0.5001 0.9497 0.9529 0.9577 0.9586 1.1860 1.1891 1.8101 1.8115 2.1487 2.1500 10.2949 10.2955 11.1155 11.1171 12.0318 12.0328 12.2322 12.2358 12.2454 12.2463 k = 0.5000 0.2887 0.0948 ( 4340 PWs) bands (ev): -16.9775 -16.9772 -16.5098 -16.5098 -15.8986 -15.8973 -15.2724 -15.2708 -15.2687 -15.2671 -15.2616 -15.2596 -6.5902 -6.5891 -5.5020 -5.5010 -4.0030 -3.9997 -3.6287 -3.6267 -3.3727 -3.3711 -2.6247 -2.6244 -1.0313 -1.0292 -0.9653 -0.9652 -0.4995 -0.4906 -0.2906 -0.2896 0.0221 0.0226 0.0513 0.0593 0.4772 0.4794 0.9521 0.9549 0.9624 0.9632 1.1754 1.1781 1.8162 1.8174 2.1598 2.1609 10.2735 10.2741 11.1023 11.1037 12.0435 12.0446 12.2171 12.2204 12.2305 12.2313 k = 0.5000 0.2887 0.0790 ( 4338 PWs) bands (ev): -16.9788 -16.9786 -16.5104 -16.5104 -15.8958 -15.8947 -15.2727 -15.2716 -15.2688 -15.2673 -15.2609 -15.2592 -6.5953 -6.5943 -5.5040 -5.5033 -3.9711 -3.9681 -3.6325 -3.6307 -3.4004 -3.3988 -2.6116 -2.6114 -1.0278 -1.0260 -0.9577 -0.9577 -0.4955 -0.4876 -0.2988 -0.2980 0.0318 0.0335 0.0344 0.0393 0.4587 0.4606 0.9545 0.9568 0.9668 0.9674 1.1660 1.1683 1.8214 1.8224 2.1693 2.1702 10.2554 10.2559 11.0911 11.0923 12.0554 12.0566 12.2026 12.2055 12.2173 12.2180 k = 0.5000 0.2887 0.0632 ( 4348 PWs) bands (ev): -16.9799 -16.9797 -16.5109 -16.5109 -15.8934 -15.8925 -15.2732 -15.2723 -15.2687 -15.2675 -15.2603 -15.2589 -6.5995 -6.5987 -5.5058 -5.5051 -3.9420 -3.9394 -3.6355 -3.6341 -3.4260 -3.4246 -2.6007 -2.6006 -1.0250 -1.0235 -0.9513 -0.9512 -0.4913 -0.4845 -0.3058 -0.3052 0.0155 0.0214 0.0442 0.0447 0.4425 0.4441 0.9567 0.9586 0.9707 0.9711 1.1579 1.1599 1.8256 1.8264 2.1772 2.1780 10.2406 10.2410 11.0819 11.0829 12.0677 12.0690 12.1882 12.1908 12.2063 12.2069 k = 0.5000 0.2887 0.0474 ( 4348 PWs) bands (ev): -16.9807 -16.9806 -16.5113 -16.5113 -15.8915 -15.8909 -15.2737 -15.2730 -15.2686 -15.2676 -15.2597 -15.2587 -6.6027 -6.6021 -5.5071 -5.5066 -3.9167 -3.9146 -3.6378 -3.6367 -3.4484 -3.4471 -2.5921 -2.5921 -1.0228 -1.0216 -0.9460 -0.9460 -0.4871 -0.4818 -0.3115 -0.3110 0.0022 0.0069 0.0531 0.0535 0.4291 0.4304 0.9585 0.9599 0.9739 0.9742 1.1514 1.1529 1.8289 1.8295 2.1835 2.1840 10.2291 10.2293 11.0748 11.0755 12.0800 12.0814 12.1741 12.1764 12.1978 12.1984 k = 0.5000 0.2887 0.0316 ( 4340 PWs) bands (ev): -16.9813 -16.9812 -16.5116 -16.5116 -15.8901 -15.8897 -15.2740 -15.2736 -15.2684 -15.2677 -15.2592 -15.2586 -6.6050 -6.6046 -5.5080 -5.5077 -3.8967 -3.8952 -3.6393 -3.6386 -3.4661 -3.4651 -2.5860 -2.5859 -1.0212 -1.0204 -0.9421 -0.9421 -0.4834 -0.4798 -0.3156 -0.3153 -0.0073 -0.0041 0.0600 0.0603 0.4192 0.4200 0.9600 0.9609 0.9764 0.9766 1.1467 1.1477 1.8312 1.8316 2.1880 2.1884 10.2208 10.2210 11.0698 11.0703 12.0921 12.0934 12.1607 12.1626 12.1920 12.1924 k = 0.5000 0.2887 0.0158 ( 4340 PWs) bands (ev): -16.9817 -16.9816 -16.5118 -16.5118 -15.8892 -15.8890 -15.2741 -15.2739 -15.2682 -15.2679 -15.2589 -15.2586 -6.6064 -6.6062 -5.5086 -5.5084 -3.8837 -3.8828 -3.6402 -3.6398 -3.4775 -3.4770 -2.5822 -2.5822 -1.0202 -1.0198 -0.9397 -0.9397 -0.4807 -0.4788 -0.3181 -0.3180 -0.0129 -0.0113 0.0643 0.0645 0.4131 0.4135 0.9610 0.9614 0.9780 0.9780 1.1439 1.1444 1.8327 1.8329 2.1908 2.1909 10.2159 10.2160 11.0668 11.0671 12.1027 12.1037 12.1496 12.1509 12.1885 12.1888 k = 0.5000 0.2887-0.0000 ( 4344 PWs) bands (ev): -16.9818 -16.9818 -16.5118 -16.5118 -15.8889 -15.8889 -15.2741 -15.2741 -15.2680 -15.2680 -15.2587 -15.2587 -6.6068 -6.6068 -5.5087 -5.5087 -3.8788 -3.8788 -3.6403 -3.6403 -3.4813 -3.4813 -2.5810 -2.5810 -1.0197 -1.0197 -0.9389 -0.9389 -0.4791 -0.4791 -0.3190 -0.3190 -0.0142 -0.0142 0.0659 0.0659 0.4112 0.4112 0.9615 0.9615 0.9785 0.9785 1.1431 1.1431 1.8332 1.8332 2.1917 2.1917 10.2143 10.2143 11.0659 11.0659 12.1081 12.1081 12.1450 12.1450 12.1875 12.1875 k = 0.3333 0.5774-0.0000 ( 4302 PWs) bands (ev): -16.7443 -16.7430 -16.7429 -16.7429 -15.9271 -15.9271 -15.2707 -15.2707 -15.2602 -15.2602 -15.2573 -15.2568 -6.6854 -6.6854 -4.7796 -4.7752 -4.7715 -4.7715 -3.4519 -3.4484 -3.4484 -3.4455 -2.4875 -2.4875 -0.9471 -0.9365 -0.9365 -0.9313 -0.6633 -0.6633 -0.1064 -0.1064 0.0626 0.0635 0.0676 0.0676 0.3367 0.3367 0.6651 0.6759 0.6759 0.6805 1.6806 1.6806 1.6915 1.6937 2.1328 2.1328 10.9547 10.9555 10.9594 10.9594 11.5806 11.5806 11.9381 11.9381 12.6826 12.6842 k = 0.3333 0.5774 0.0158 ( 4302 PWs) bands (ev): -16.7561 -16.7553 -16.7307 -16.7300 -15.9276 -15.9274 -15.2709 -15.2706 -15.2617 -15.2587 -15.2586 -15.2556 -6.6844 -6.6842 -4.7899 -4.7839 -4.7669 -4.7609 -3.4658 -3.4650 -3.4304 -3.4302 -2.4889 -2.4889 -0.9545 -0.9499 -0.9244 -0.9235 -0.6649 -0.6630 -0.1056 -0.1040 0.0540 0.0586 0.0718 0.0760 0.3375 0.3376 0.6629 0.6696 0.6849 0.6852 1.6756 1.6846 1.6876 1.6966 2.1317 2.1318 10.9470 10.9513 10.9653 10.9697 11.5818 11.5820 11.9394 11.9395 12.6714 12.6790 k = 0.3333 0.5774 0.0316 ( 4293 PWs) bands (ev): -16.7681 -16.7672 -16.7174 -16.7167 -15.9290 -15.9285 -15.2711 -15.2706 -15.2633 -15.2603 -15.2574 -15.2543 -6.6810 -6.6807 -4.8040 -4.7985 -4.7584 -4.7522 -3.4809 -3.4800 -3.4112 -3.4110 -2.4933 -2.4932 -0.9670 -0.9638 -0.9136 -0.9112 -0.6677 -0.6640 -0.1017 -0.0986 0.0449 0.0496 0.0797 0.0837 0.3399 0.3402 0.6602 0.6661 0.6955 0.6961 1.6696 1.6817 1.6874 1.6992 2.1286 2.1287 10.9412 10.9453 10.9776 10.9820 11.5856 11.5861 11.9434 11.9436 12.6603 12.6679 k = 0.3333 0.5774 0.0474 ( 4293 PWs) bands (ev): -16.7796 -16.7787 -16.7037 -16.7030 -15.9312 -15.9305 -15.2713 -15.2705 -15.2649 -15.2620 -15.2561 -15.2530 -6.6754 -6.6748 -4.8203 -4.8152 -4.7515 -4.7451 -3.4944 -3.4933 -3.3910 -3.3907 -2.5006 -2.5004 -0.9805 -0.9779 -0.9029 -0.8996 -0.6717 -0.6661 -0.0949 -0.0903 0.0360 0.0408 0.0865 0.0901 0.3442 0.3446 0.6597 0.6656 0.7086 0.7095 1.6627 1.6749 1.6890 1.7007 2.1235 2.1236 10.9377 10.9417 10.9917 10.9962 11.5920 11.5927 11.9501 11.9504 12.6489 12.6566 k = 0.3333 0.5774 0.0632 ( 4311 PWs) bands (ev): -16.7907 -16.7898 -16.6895 -16.6888 -15.9342 -15.9334 -15.2716 -15.2706 -15.2665 -15.2638 -15.2550 -15.2519 -6.6675 -6.6668 -4.8389 -4.8342 -4.7460 -4.7395 -3.5061 -3.5047 -3.3700 -3.3696 -2.5106 -2.5104 -0.9944 -0.9922 -0.8928 -0.8889 -0.6765 -0.6694 -0.0855 -0.0795 0.0278 0.0325 0.0919 0.0950 0.3503 0.3508 0.6622 0.6684 0.7238 0.7247 1.6548 1.6671 1.6894 1.7009 2.1163 2.1164 10.9366 10.9405 11.0075 11.0122 11.6009 11.6019 11.9594 11.9598 12.6368 12.6446 k = 0.3333 0.5774 0.0790 ( 4302 PWs) bands (ev): -16.8013 -16.8004 -16.6749 -16.6743 -15.9381 -15.9371 -15.2721 -15.2706 -15.2681 -15.2656 -15.2540 -15.2509 -6.6573 -6.6564 -4.8598 -4.8555 -4.7418 -4.7353 -3.5158 -3.5142 -3.3483 -3.3479 -2.5233 -2.5231 -1.0084 -1.0066 -0.8836 -0.8791 -0.6822 -0.6736 -0.0738 -0.0667 0.0205 0.0251 0.0956 0.0983 0.3585 0.3591 0.6678 0.6744 0.7408 0.7417 1.6462 1.6586 1.6885 1.6999 2.1072 2.1073 10.9380 10.9419 11.0251 11.0298 11.6124 11.6137 11.9715 11.9719 12.6236 12.6315 k = 0.3333 0.5774 0.0948 ( 4305 PWs) bands (ev): -16.8114 -16.8106 -16.6598 -16.6593 -15.9429 -15.9416 -15.2727 -15.2707 -15.2695 -15.2675 -15.2530 -15.2500 -6.6449 -6.6438 -4.8830 -4.8791 -4.7388 -4.7322 -3.5236 -3.5216 -3.3262 -3.3257 -2.5385 -2.5382 -1.0224 -1.0209 -0.8753 -0.8701 -0.6885 -0.6786 -0.0603 -0.0523 0.0142 0.0187 0.0974 0.0996 0.3688 0.3694 0.6766 0.6837 0.7593 0.7601 1.6368 1.6492 1.6862 1.6974 2.0960 2.0962 10.9421 10.9458 11.0441 11.0489 11.6264 11.6279 11.9862 11.9867 12.6089 12.6169 k = 0.3333 0.5774 0.1106 ( 4311 PWs) bands (ev): -16.8211 -16.8203 -16.6444 -16.6440 -15.9484 -15.9470 -15.2738 -15.2707 -15.2706 -15.2695 -15.2522 -15.2493 -6.6302 -6.6290 -4.9086 -4.9052 -4.7367 -4.7302 -3.5292 -3.5269 -3.3038 -3.3033 -2.5562 -2.5558 -1.0363 -1.0350 -0.8679 -0.8622 -0.6953 -0.6843 -0.0457 -0.0369 0.0091 0.0134 0.0974 0.0991 0.3815 0.3821 0.6887 0.6962 0.7792 0.7800 1.6266 1.6391 1.6825 1.6936 2.0830 2.0832 10.9489 10.9525 11.0645 11.0693 11.6429 11.6446 12.0035 12.0042 12.5923 12.6004 k = 0.3333 0.5774 0.1264 ( 4314 PWs) bands (ev): -16.8304 -16.8295 -16.6286 -16.6282 -15.9548 -15.9532 -15.2752 -15.2714 -15.2712 -15.2708 -15.2515 -15.2486 -6.6134 -6.6121 -4.9365 -4.9335 -4.7356 -4.7292 -3.5327 -3.5301 -3.2813 -3.2808 -2.5760 -2.5755 -1.0500 -1.0489 -0.8616 -0.8552 -0.7023 -0.6905 -0.0304 -0.0208 0.0052 0.0096 0.0954 0.0967 0.3967 0.3972 0.7037 0.7118 0.8004 0.8010 1.6158 1.6282 1.6773 1.6882 2.0681 2.0683 10.9584 10.9620 11.0861 11.0910 11.6617 11.6636 12.0236 12.0243 12.5735 12.5817 k = 0.3333 0.5774 0.1421 ( 4323 PWs) bands (ev): -16.8392 -16.8383 -16.6125 -16.6121 -15.9619 -15.9602 -15.2769 -15.2734 -15.2716 -15.2709 -15.2510 -15.2482 -6.5945 -6.5930 -4.9667 -4.9641 -4.7352 -4.7289 -3.5341 -3.5312 -3.2589 -3.2585 -2.5979 -2.5973 -1.0633 -1.0624 -0.8562 -0.8492 -0.7097 -0.6970 -0.0154 -0.0048 0.0027 0.0075 0.0918 0.0926 0.4146 0.4149 0.7215 0.7300 0.8226 0.8232 1.6043 1.6168 1.6706 1.6814 2.0514 2.0517 10.9709 10.9743 11.1087 11.1138 11.6828 11.6850 12.0462 12.0471 12.5522 12.5605 k = 0.3333 0.5774 0.1579 ( 4329 PWs) bands (ev): -16.8475 -16.8467 -16.5959 -16.5956 -15.9699 -15.9680 -15.2786 -15.2754 -15.2719 -15.2709 -15.2505 -15.2478 -6.5735 -6.5718 -4.9990 -4.9970 -4.7354 -4.7292 -3.5333 -3.5301 -3.2368 -3.2363 -2.6216 -2.6208 -1.0762 -1.0755 -0.8517 -0.8441 -0.7171 -0.7038 -0.0031 0.0016 0.0092 0.0108 0.0865 0.0870 0.4353 0.4354 0.7419 0.7508 0.8459 0.8465 1.5922 1.6047 1.6624 1.6730 2.0330 2.0333 10.9862 10.9896 11.1323 11.1374 11.7062 11.7085 12.0715 12.0725 12.5285 12.5367 k = 0.3333 0.5774 0.1737 ( 4335 PWs) bands (ev): -16.8554 -16.8546 -16.5790 -16.5788 -15.9787 -15.9767 -15.2804 -15.2774 -15.2721 -15.2710 -15.2502 -15.2476 -6.5504 -6.5486 -5.0335 -5.0319 -4.7361 -4.7301 -3.5304 -3.5269 -3.2150 -3.2146 -2.6469 -2.6461 -1.0886 -1.0880 -0.8481 -0.8399 -0.7245 -0.7107 0.0017 0.0017 0.0191 0.0256 0.0799 0.0801 0.4587 0.4589 0.7644 0.7736 0.8701 0.8707 1.5796 1.5921 1.6526 1.6631 2.0129 2.0133 11.0046 11.0079 11.1567 11.1618 11.7317 11.7342 12.0994 12.1005 12.5023 12.5106 k = 0.3333 0.5774 0.1895 ( 4329 PWs) bands (ev): -16.8628 -16.8620 -16.5618 -16.5617 -15.9882 -15.9861 -15.2822 -15.2793 -15.2722 -15.2710 -15.2500 -15.2475 -6.5253 -6.5233 -5.0700 -5.0688 -4.7373 -4.7315 -3.5255 -3.5217 -3.1938 -3.1934 -2.6738 -2.6727 -1.1005 -1.0999 -0.8452 -0.8364 -0.7319 -0.7176 0.0031 0.0038 0.0320 0.0393 0.0721 0.0721 0.4848 0.4853 0.7887 0.7983 0.8952 0.8958 1.5664 1.5788 1.6413 1.6516 1.9913 1.9917 11.0261 11.0292 11.1815 11.1867 11.7591 11.7618 12.1300 12.1311 12.4740 12.4821 k = 0.3333 0.5774 0.2053 ( 4332 PWs) bands (ev): -16.8698 -16.8690 -16.5443 -16.5442 -15.9985 -15.9963 -15.2840 -15.2813 -15.2722 -15.2709 -15.2499 -15.2475 -6.4982 -6.4962 -5.1083 -5.1075 -4.7388 -4.7332 -3.5186 -3.5146 -3.1732 -3.1729 -2.7019 -2.7006 -1.1117 -1.1112 -0.8430 -0.8337 -0.7392 -0.7246 0.0055 0.0063 0.0443 0.0516 0.0635 0.0635 0.5136 0.5145 0.8146 0.8244 0.9211 0.9216 1.5526 1.5651 1.6283 1.6385 1.9682 1.9686 11.0507 11.0537 11.2068 11.2120 11.7884 11.7913 12.1631 12.1643 12.4439 12.4518 k = 0.3333 0.5774 0.2211 ( 4341 PWs) bands (ev): -16.8763 -16.8755 -16.5265 -16.5265 -16.0095 -16.0072 -15.2857 -15.2831 -15.2721 -15.2708 -15.2500 -15.2477 -6.4693 -6.4671 -5.1484 -5.1480 -4.7405 -4.7352 -3.5098 -3.5056 -3.1534 -3.1531 -2.7311 -2.7296 -1.1222 -1.1218 -0.8414 -0.8315 -0.7463 -0.7315 0.0090 0.0096 0.0531 0.0542 0.0556 0.0635 0.5450 0.5462 0.8416 0.8517 0.9476 0.9482 1.5384 1.5508 1.6138 1.6238 1.9437 1.9441 11.0784 11.0814 11.2321 11.2374 11.8194 11.8223 12.1987 12.2000 12.4124 12.4202 k = 0.3333 0.5774 0.2369 ( 4341 PWs) bands (ev): -16.8824 -16.8817 -16.5085 -16.5084 -16.0212 -16.0189 -15.2874 -15.2850 -15.2719 -15.2706 -15.2501 -15.2480 -6.4385 -6.4362 -5.1900 -5.1900 -4.7424 -4.7374 -3.4991 -3.4947 -3.1344 -3.1342 -2.7612 -2.7596 -1.1320 -1.1316 -0.8402 -0.8298 -0.7533 -0.7383 0.0132 0.0137 0.0435 0.0446 0.0656 0.0730 0.5787 0.5802 0.8696 0.8799 0.9747 0.9754 1.5236 1.5360 1.5977 1.6076 1.9178 1.9184 11.1093 11.1123 11.2575 11.2627 11.8518 11.8548 12.2369 12.2382 12.3801 12.3876 k = 0.3333 0.5774 0.2527 ( 4335 PWs) bands (ev): -16.8880 -16.8873 -16.4903 -16.4901 -16.0337 -16.0313 -15.2890 -15.2867 -15.2717 -15.2704 -15.2504 -15.2484 -6.4060 -6.4036 -5.2334 -5.2331 -4.7444 -4.7397 -3.4867 -3.4821 -3.1165 -3.1162 -2.7920 -2.7902 -1.1410 -1.1407 -0.8394 -0.8285 -0.7601 -0.7450 0.0180 0.0185 0.0335 0.0349 0.0744 0.0813 0.6144 0.6163 0.8982 0.9087 1.0024 1.0031 1.5084 1.5207 1.5802 1.5899 1.8908 1.8914 11.1435 11.1464 11.2825 11.2878 11.8854 11.8883 12.2776 12.2787 12.3477 12.3547 k = 0.3333 0.5774 0.2685 ( 4317 PWs) bands (ev): -16.8932 -16.8926 -16.4719 -16.4716 -16.0467 -16.0444 -15.2906 -15.2884 -15.2713 -15.2701 -15.2507 -15.2489 -6.3718 -6.3693 -5.2781 -5.2774 -4.7465 -4.7420 -3.4726 -3.4679 -3.0995 -3.0994 -2.8234 -2.8214 -1.1493 -1.1490 -0.8388 -0.8275 -0.7667 -0.7515 0.0209 0.0234 0.0240 0.0277 0.0818 0.0884 0.6519 0.6541 0.9273 0.9379 1.0304 1.0311 1.4926 1.5049 1.5612 1.5709 1.8627 1.8634 11.1809 11.1837 11.3071 11.3123 11.9197 11.9226 12.3119 12.3207 12.3221 12.3254 k = 0.3333 0.5774 0.2843 ( 4329 PWs) bands (ev): -16.8980 -16.8974 -16.4532 -16.4528 -16.0605 -16.0581 -15.2920 -15.2900 -15.2709 -15.2697 -15.2512 -15.2496 -6.3359 -6.3333 -5.3239 -5.3229 -4.7485 -4.7444 -3.4569 -3.4521 -3.0838 -3.0836 -2.8553 -2.8531 -1.1568 -1.1566 -0.8384 -0.8267 -0.7731 -0.7578 0.0134 0.0135 0.0298 0.0313 0.0880 0.0942 0.6908 0.6933 0.9566 0.9673 1.0585 1.0594 1.4763 1.4885 1.5410 1.5505 1.8336 1.8343 11.2216 11.2243 11.3310 11.3361 11.9543 11.9570 12.2827 12.2901 12.3662 12.3684 k = 0.3333 0.5774 0.3001 ( 4329 PWs) bands (ev): -16.9023 -16.9018 -16.4344 -16.4339 -16.0748 -16.0725 -15.2934 -15.2916 -15.2704 -15.2693 -15.2517 -15.2503 -6.2985 -6.2958 -5.3706 -5.3693 -4.7505 -4.7467 -3.4397 -3.4348 -3.0692 -3.0690 -2.8874 -2.8850 -1.1636 -1.1634 -0.8380 -0.8259 -0.7793 -0.7639 0.0038 0.0042 0.0360 0.0374 0.0930 0.0989 0.7309 0.7336 0.9859 0.9968 1.0866 1.0876 1.4595 1.4717 1.5198 1.5292 1.8036 1.8044 11.2654 11.2681 11.3539 11.3589 11.9884 11.9909 12.2525 12.2593 12.4139 12.4161 k = 0.3333 0.5774 0.3159 ( 4323 PWs) bands (ev): -16.9062 -16.9057 -16.4155 -16.4149 -16.0897 -16.0874 -15.2946 -15.2930 -15.2698 -15.2688 -15.2523 -15.2511 -6.2597 -6.2569 -5.4181 -5.4166 -4.7524 -4.7489 -3.4211 -3.4161 -3.0558 -3.0557 -2.9197 -2.9171 -1.1696 -1.1694 -0.8376 -0.8252 -0.7851 -0.7697 -0.0054 -0.0048 0.0425 0.0440 0.0970 0.1025 0.7717 0.7747 1.0151 1.0261 1.1142 1.1154 1.4421 1.4542 1.4978 1.5073 1.7728 1.7738 11.3125 11.3152 11.3757 11.3805 12.0209 12.0229 12.2237 12.2301 12.4637 12.4659 k = 0.3333 0.5774 0.3317 ( 4326 PWs) bands (ev): -16.9097 -16.9092 -16.3965 -16.3957 -16.1052 -16.1029 -15.2957 -15.2943 -15.2691 -15.2682 -15.2530 -15.2520 -6.2194 -6.2166 -5.4663 -5.4645 -4.7541 -4.7510 -3.4011 -3.3961 -3.0438 -3.0436 -2.9521 -2.9493 -1.1748 -1.1747 -0.8371 -0.8244 -0.7907 -0.7753 -0.0140 -0.0134 0.0490 0.0507 0.1000 0.1051 0.8131 0.8163 1.0440 1.0552 1.1408 1.1421 1.4241 1.4362 1.4758 1.4852 1.7414 1.7425 11.3626 11.3653 11.3961 11.4006 12.0501 12.0514 12.1970 12.2029 12.5149 12.5173 k = 0.3333 0.5774 0.3475 ( 4323 PWs) bands (ev): -16.9128 -16.9124 -16.3773 -16.3765 -16.1212 -16.1189 -15.2967 -15.2954 -15.2683 -15.2676 -15.2538 -15.2530 -6.1779 -6.1750 -5.5150 -5.5130 -4.7557 -4.7530 -3.3798 -3.3748 -3.0331 -3.0329 -2.9843 -2.9813 -1.1794 -1.1792 -0.8365 -0.8235 -0.7961 -0.7807 -0.0219 -0.0213 0.0555 0.0574 0.1019 0.1068 0.8548 0.8581 1.0726 1.0839 1.1653 1.1669 1.4056 1.4176 1.4546 1.4641 1.7095 1.7107 11.4141 11.4165 11.4185 11.4190 12.0733 12.0736 12.1726 12.1780 12.5658 12.5684 k = 0.3333 0.5774 0.3633 ( 4323 PWs) bands (ev): -16.9154 -16.9151 -16.3582 -16.3572 -16.1376 -16.1355 -15.2976 -15.2965 -15.2674 -15.2669 -15.2546 -15.2540 -6.1351 -6.1322 -5.5640 -5.5618 -4.7572 -4.7548 -3.3573 -3.3523 -3.0245 -3.0236 -3.0157 -3.0133 -1.1832 -1.1831 -0.8356 -0.8223 -0.8011 -0.7857 -0.0289 -0.0284 0.0618 0.0640 0.1031 0.1076 0.8964 0.8998 1.1007 1.1121 1.1863 1.1880 1.3864 1.3983 1.4360 1.4454 1.6773 1.6786 11.4316 11.4355 11.4720 11.4746 12.0857 12.0866 12.1509 12.1558 12.6021 12.6071 k = 0.3333 0.5774 0.3791 ( 4317 PWs) bands (ev): -16.9176 -16.9173 -16.3390 -16.3379 -16.1545 -16.1524 -15.2983 -15.2974 -15.2664 -15.2662 -15.2554 -15.2551 -6.0913 -6.0883 -5.6133 -5.6109 -4.7584 -4.7564 -3.3336 -3.3287 -3.0486 -3.0449 -3.0156 -3.0154 -1.1864 -1.1863 -0.8345 -0.8210 -0.8058 -0.7905 -0.0351 -0.0346 0.0679 0.0704 0.1033 0.1076 0.9377 0.9412 1.1281 1.1397 1.2013 1.2027 1.3666 1.3784 1.4226 1.4317 1.6448 1.6463 11.4463 11.4498 11.5308 11.5335 12.0832 12.0854 12.1322 12.1364 12.5895 12.5991 k = 0.3333 0.5774 0.3949 ( 4326 PWs) bands (ev): -16.9194 -16.9192 -16.3198 -16.3187 -16.1718 -16.1698 -15.2989 -15.2982 -15.2654 -15.2654 -15.2562 -15.2562 -6.0464 -6.0434 -5.6626 -5.6602 -4.7593 -4.7577 -3.3089 -3.3041 -3.0800 -3.0762 -3.0091 -3.0090 -1.1890 -1.1889 -0.8332 -0.8194 -0.8102 -0.7950 -0.0402 -0.0398 0.0737 0.0764 0.1028 0.1067 0.9783 0.9819 1.1549 1.1667 1.2072 1.2079 1.3462 1.3579 1.4177 1.4260 1.6123 1.6140 11.4588 11.4617 11.5920 11.5948 12.0628 12.0661 12.1166 12.1201 12.5743 12.5860 k = 0.3333 0.5774 0.4107 ( 4332 PWs) bands (ev): -16.9208 -16.9207 -16.3008 -16.2995 -16.1894 -16.1875 -15.2993 -15.2988 -15.2647 -15.2644 -15.2574 -15.2570 -6.0006 -5.9976 -5.7119 -5.7094 -4.7600 -4.7588 -3.2832 -3.2784 -3.1110 -3.1070 -3.0040 -3.0039 -1.1910 -1.1909 -0.8315 -0.8176 -0.8143 -0.7991 -0.0442 -0.0439 0.0791 0.0821 0.1015 0.1052 1.0181 1.0216 1.1801 1.1929 1.2014 1.2026 1.3251 1.3367 1.4233 1.4305 1.5801 1.5820 11.4688 11.4711 11.6554 11.6583 12.0253 12.0291 12.1044 12.1071 12.5768 12.5896 k = 0.3333 0.5774 0.4264 ( 4338 PWs) bands (ev): -16.9218 -16.9217 -16.2818 -16.2803 -16.2074 -16.2056 -15.2996 -15.2993 -15.2641 -15.2633 -15.2586 -15.2577 -5.9539 -5.9510 -5.7611 -5.7584 -4.7605 -4.7597 -3.2565 -3.2518 -3.1414 -3.1373 -3.0003 -3.0003 -1.1924 -1.1923 -0.8295 -0.8180 -0.8155 -0.8029 -0.0472 -0.0470 0.0840 0.0874 0.0996 0.1029 1.0564 1.0600 1.1833 1.1843 1.2086 1.2184 1.3034 1.3148 1.4385 1.4446 1.5485 1.5506 11.4762 11.4778 11.7203 11.7234 11.9746 11.9784 12.0957 12.0975 12.5953 12.6088 k = 0.3333 0.5774 0.4422 ( 4338 PWs) bands (ev): -16.9224 -16.9224 -16.2629 -16.2614 -16.2256 -16.2239 -15.2998 -15.2996 -15.2636 -15.2621 -15.2597 -15.2583 -5.9066 -5.9036 -5.8099 -5.8072 -4.7607 -4.7603 -3.2289 -3.2243 -3.1713 -3.1670 -2.9981 -2.9981 -1.1932 -1.1932 -0.8271 -0.8214 -0.8132 -0.8062 -0.0489 -0.0488 0.0882 0.0921 0.0972 0.0999 1.0925 1.0964 1.1597 1.1599 1.2321 1.2426 1.2816 1.2925 1.4602 1.4658 1.5182 1.5202 11.4809 11.4817 11.7862 11.7895 11.9155 11.9192 12.0906 12.0916 12.6253 12.6395 k = 0.3333 0.5774 0.4580 ( 4320 PWs) bands (ev): -16.9226 -16.9226 -16.2454 -16.2429 -16.2425 -16.2425 -15.2998 -15.2998 -15.2634 -15.2609 -15.2609 -15.2585 -5.8612 -5.8558 -5.8557 -5.8557 -4.7606 -4.7606 -3.2004 -3.2004 -3.1967 -3.1953 -2.9974 -2.9974 -1.1934 -1.1934 -0.8244 -0.8244 -0.8116 -0.8081 -0.0494 -0.0494 0.0904 0.0956 0.0963 0.0963 1.1188 1.1301 1.1301 1.1369 1.2534 1.2534 1.2717 1.2717 1.4801 1.4916 1.4916 1.4957 11.4827 11.4827 11.8518 11.8518 11.8550 11.8557 12.0893 12.0893 12.6567 12.6715 Writing output data file SiO2.save init_run : 1.80s CPU 11.25s WALL ( 1 calls) electrons : 933.15s CPU 941.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.27s CPU 1.42s WALL ( 1 calls) Called by electrons: c_bands : 933.11s CPU 941.48s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.98s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.59s WALL ( 1 calls) newd : 0.21s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.05s WALL ( 296 calls) cegterg : 894.18s CPU 899.74s WALL ( 921 calls) Called by sum_band: Called by *egterg: h_psi : 305.25s CPU 314.83s WALL ( 17390 calls) s_psi : 23.18s CPU 24.06s WALL ( 17390 calls) g_psi : 0.95s CPU 0.98s WALL ( 16173 calls) cdiaghg : 426.79s CPU 423.12s WALL ( 16469 calls) cegterg:over : 76.06s CPU 72.45s WALL ( 16173 calls) cegterg:upda : 19.04s CPU 23.85s WALL ( 16173 calls) cegterg:last : 14.49s CPU 15.34s WALL ( 2260 calls) Called by h_psi: h_psi:vloc : 242.39s CPU 250.45s WALL ( 17390 calls) h_psi:vnl : 62.38s CPU 63.41s WALL ( 17390 calls) add_vuspsi : 16.42s CPU 20.50s WALL ( 17390 calls) General routines calbec : 45.89s CPU 42.79s WALL ( 17390 calls) fft : 0.20s CPU 0.99s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 226.71s CPU 232.28s WALL ( 1567176 calls) interpolate : 0.04s CPU 0.05s WALL ( 4 calls) davcio : 0.03s CPU 1.56s WALL ( 592 calls) Parallel routines fft_scatter : 140.84s CPU 144.66s WALL ( 1567199 calls) PWSCF : 16m24.29s CPU 17m41.71s WALL This run was terminated on: 1:37: 7 1Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=