Program PWSCF v.5.1.1 starts on 31Jul2015 at 8:38:55 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 43 24 7 1721 754 117 Max 44 25 8 1727 773 122 Sum 2065 1189 349 82801 36513 5749 bravais-lattice index = 14 lattice parameter (alat) = 9.6083 a.u. unit-cell volume = 840.7471 (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)= 9.608312 celldm(2)= 1.000000 celldm(3)= 1.094444 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 1.094444 ) 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 0.913706 ) 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) 4 Sym. Ops. (no inversion) found (note: 8 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - 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 ) double point group D_2 (222) there are 5 classes and 1 irreducible representations the character table: E -E C2 C2' C2'' -C2 -C2' -C2'' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 -E -1 Cartesian axes number of k points= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0034014 k( 3) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0034014 k( 4) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0034014 k( 5) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0034014 k( 6) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0034014 k( 7) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0034014 k( 8) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0034014 k( 9) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0034014 k( 10) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0034014 k( 11) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0034014 k( 12) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0034014 k( 13) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0034014 k( 14) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0034014 k( 15) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0034014 k( 16) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0034014 k( 17) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0034014 k( 18) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0034014 k( 19) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034014 k( 20) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0034014 k( 21) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0034014 k( 22) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0034014 k( 23) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0034014 k( 24) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0034014 k( 25) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0034014 k( 26) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0034014 k( 27) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0034014 k( 28) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0034014 k( 29) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0034014 k( 30) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0034014 k( 31) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0034014 k( 32) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0034014 k( 33) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0034014 k( 34) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0034014 k( 35) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0034014 k( 36) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0034014 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034014 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034014 k( 39) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0034014 k( 40) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0034014 k( 41) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0034014 k( 42) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0034014 k( 43) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0034014 k( 44) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0034014 k( 45) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0034014 k( 46) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0034014 k( 47) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0034014 k( 48) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0034014 k( 49) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0034014 k( 50) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0034014 k( 51) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0034014 k( 52) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0034014 k( 53) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0034014 k( 54) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0034014 k( 55) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0034014 k( 56) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0034014 k( 57) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0034014 k( 58) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0034014 k( 59) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034014 k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034014 k( 61) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0034014 k( 62) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0034014 k( 63) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0034014 k( 64) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0034014 k( 65) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0034014 k( 66) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0034014 k( 67) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0034014 k( 68) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0034014 k( 69) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0034014 k( 70) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0034014 k( 71) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0034014 k( 72) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0034014 k( 73) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0034014 k( 74) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0034014 k( 75) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0034014 k( 76) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0034014 k( 77) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0034014 k( 78) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0034014 k( 79) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0034014 k( 80) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0034014 k( 81) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034014 k( 82) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0034014 k( 83) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0034014 k( 84) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0034014 k( 85) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0034014 k( 86) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0034014 k( 87) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0034014 k( 88) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0034014 k( 89) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0034014 k( 90) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0034014 k( 91) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0034014 k( 92) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0034014 k( 93) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0034014 k( 94) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0034014 k( 95) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0034014 k( 96) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0034014 k( 97) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0034014 k( 98) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0034014 k( 99) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0034014 k( 100) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0034014 k( 101) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0034014 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 104) = ( 0.0000000 0.0000000 0.0157536), wk = 0.0034014 k( 105) = ( 0.0000000 0.0000000 0.0315071), wk = 0.0034014 k( 106) = ( 0.0000000 0.0000000 0.0472607), wk = 0.0034014 k( 107) = ( 0.0000000 0.0000000 0.0630142), wk = 0.0034014 k( 108) = ( 0.0000000 0.0000000 0.0787678), wk = 0.0034014 k( 109) = ( 0.0000000 0.0000000 0.0945213), wk = 0.0034014 k( 110) = ( 0.0000000 0.0000000 0.1102749), wk = 0.0034014 k( 111) = ( 0.0000000 0.0000000 0.1260284), wk = 0.0034014 k( 112) = ( 0.0000000 0.0000000 0.1417820), wk = 0.0034014 k( 113) = ( 0.0000000 0.0000000 0.1575355), wk = 0.0034014 k( 114) = ( 0.0000000 0.0000000 0.1732891), wk = 0.0034014 k( 115) = ( 0.0000000 0.0000000 0.1890426), wk = 0.0034014 k( 116) = ( 0.0000000 0.0000000 0.2047962), wk = 0.0034014 k( 117) = ( 0.0000000 0.0000000 0.2205497), wk = 0.0034014 k( 118) = ( 0.0000000 0.0000000 0.2363033), wk = 0.0034014 k( 119) = ( 0.0000000 0.0000000 0.2520568), wk = 0.0034014 k( 120) = ( 0.0000000 0.0000000 0.2678104), wk = 0.0034014 k( 121) = ( 0.0000000 0.0000000 0.2835639), wk = 0.0034014 k( 122) = ( 0.0000000 0.0000000 0.2993175), wk = 0.0034014 k( 123) = ( 0.0000000 0.0000000 0.3150711), wk = 0.0034014 k( 124) = ( 0.0000000 0.0000000 0.3308246), wk = 0.0034014 k( 125) = ( 0.0000000 0.0000000 0.3465781), wk = 0.0034014 k( 126) = ( 0.0000000 0.0000000 0.3623317), wk = 0.0034014 k( 127) = ( 0.0000000 0.0000000 0.3780853), wk = 0.0034014 k( 128) = ( 0.0000000 0.0000000 0.3938388), wk = 0.0034014 k( 129) = ( 0.0000000 0.0000000 0.4095924), wk = 0.0034014 k( 130) = ( 0.0000000 0.0000000 0.4253459), wk = 0.0034014 k( 131) = ( 0.0000000 0.0000000 0.4410995), wk = 0.0034014 k( 132) = ( 0.0000000 0.0000000 0.4568530), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.4568530), wk = 0.0034014 k( 134) = ( 0.0138889 0.0080188 0.4568530), wk = 0.0034014 k( 135) = ( 0.0277778 0.0160375 0.4568530), wk = 0.0034014 k( 136) = ( 0.0416667 0.0240563 0.4568530), wk = 0.0034014 k( 137) = ( 0.0555556 0.0320750 0.4568530), wk = 0.0034014 k( 138) = ( 0.0694444 0.0400938 0.4568530), wk = 0.0034014 k( 139) = ( 0.0833333 0.0481125 0.4568530), wk = 0.0034014 k( 140) = ( 0.0972222 0.0561313 0.4568530), wk = 0.0034014 k( 141) = ( 0.1111111 0.0641500 0.4568530), wk = 0.0034014 k( 142) = ( 0.1250000 0.0721688 0.4568530), wk = 0.0034014 k( 143) = ( 0.1388889 0.0801875 0.4568530), wk = 0.0034014 k( 144) = ( 0.1527778 0.0882063 0.4568530), wk = 0.0034014 k( 145) = ( 0.1666667 0.0962250 0.4568530), wk = 0.0034014 k( 146) = ( 0.1805556 0.1042438 0.4568530), wk = 0.0034014 k( 147) = ( 0.1944444 0.1122625 0.4568530), wk = 0.0034014 k( 148) = ( 0.2083333 0.1202813 0.4568530), wk = 0.0034014 k( 149) = ( 0.2222222 0.1283001 0.4568530), wk = 0.0034014 k( 150) = ( 0.2361111 0.1363188 0.4568530), wk = 0.0034014 k( 151) = ( 0.2500000 0.1443376 0.4568530), wk = 0.0034014 k( 152) = ( 0.2638889 0.1523563 0.4568530), wk = 0.0034014 k( 153) = ( 0.2777778 0.1603751 0.4568530), wk = 0.0034014 k( 154) = ( 0.2916667 0.1683938 0.4568530), wk = 0.0034014 k( 155) = ( 0.3055556 0.1764126 0.4568530), wk = 0.0034014 k( 156) = ( 0.3194444 0.1844313 0.4568530), wk = 0.0034014 k( 157) = ( 0.3333333 0.1924501 0.4568530), wk = 0.0034014 k( 158) = ( 0.3472222 0.2004688 0.4568530), wk = 0.0034014 k( 159) = ( 0.3611111 0.2084876 0.4568530), wk = 0.0034014 k( 160) = ( 0.3750000 0.2165064 0.4568530), wk = 0.0034014 k( 161) = ( 0.3888889 0.2245251 0.4568530), wk = 0.0034014 k( 162) = ( 0.4027778 0.2325439 0.4568530), wk = 0.0034014 k( 163) = ( 0.4166667 0.2405626 0.4568530), wk = 0.0034014 k( 164) = ( 0.4305556 0.2485814 0.4568530), wk = 0.0034014 k( 165) = ( 0.4444444 0.2566001 0.4568530), wk = 0.0034014 k( 166) = ( 0.4583333 0.2646189 0.4568530), wk = 0.0034014 k( 167) = ( 0.4722222 0.2726376 0.4568530), wk = 0.0034014 k( 168) = ( 0.4861111 0.2806564 0.4568530), wk = 0.0034014 k( 169) = ( 0.5000000 0.2886751 0.4568530), wk = 0.0034014 k( 170) = ( 0.5000000 0.2886751 0.4568530), wk = 0.0034014 k( 171) = ( 0.4920635 0.3024216 0.4568530), wk = 0.0034014 k( 172) = ( 0.4841270 0.3161680 0.4568530), wk = 0.0034014 k( 173) = ( 0.4761905 0.3299144 0.4568530), wk = 0.0034014 k( 174) = ( 0.4682540 0.3436609 0.4568530), wk = 0.0034014 k( 175) = ( 0.4603175 0.3574073 0.4568530), wk = 0.0034014 k( 176) = ( 0.4523810 0.3711537 0.4568530), wk = 0.0034014 k( 177) = ( 0.4444444 0.3849002 0.4568530), wk = 0.0034014 k( 178) = ( 0.4365079 0.3986466 0.4568530), wk = 0.0034014 k( 179) = ( 0.4285714 0.4123930 0.4568530), wk = 0.0034014 k( 180) = ( 0.4206349 0.4261395 0.4568530), wk = 0.0034014 k( 181) = ( 0.4126984 0.4398859 0.4568530), wk = 0.0034014 k( 182) = ( 0.4047619 0.4536324 0.4568530), wk = 0.0034014 k( 183) = ( 0.3968254 0.4673788 0.4568530), wk = 0.0034014 k( 184) = ( 0.3888889 0.4811252 0.4568530), wk = 0.0034014 k( 185) = ( 0.3809524 0.4948717 0.4568530), wk = 0.0034014 k( 186) = ( 0.3730159 0.5086181 0.4568530), wk = 0.0034014 k( 187) = ( 0.3650794 0.5223645 0.4568530), wk = 0.0034014 k( 188) = ( 0.3571429 0.5361110 0.4568530), wk = 0.0034014 k( 189) = ( 0.3492063 0.5498574 0.4568530), wk = 0.0034014 k( 190) = ( 0.3412698 0.5636038 0.4568530), wk = 0.0034014 k( 191) = ( 0.3333333 0.5773503 0.4568530), wk = 0.0034014 k( 192) = ( 0.3333333 0.5773503 0.4568530), wk = 0.0034014 k( 193) = ( 0.3253968 0.5636038 0.4568530), wk = 0.0034014 k( 194) = ( 0.3174603 0.5498574 0.4568530), wk = 0.0034014 k( 195) = ( 0.3095238 0.5361110 0.4568530), wk = 0.0034014 k( 196) = ( 0.3015873 0.5223645 0.4568530), wk = 0.0034014 k( 197) = ( 0.2936508 0.5086181 0.4568530), wk = 0.0034014 k( 198) = ( 0.2857143 0.4948717 0.4568530), wk = 0.0034014 k( 199) = ( 0.2777778 0.4811252 0.4568530), wk = 0.0034014 k( 200) = ( 0.2698413 0.4673788 0.4568530), wk = 0.0034014 k( 201) = ( 0.2619048 0.4536324 0.4568530), wk = 0.0034014 k( 202) = ( 0.2539683 0.4398859 0.4568530), wk = 0.0034014 k( 203) = ( 0.2460317 0.4261395 0.4568530), wk = 0.0034014 k( 204) = ( 0.2380952 0.4123931 0.4568530), wk = 0.0034014 k( 205) = ( 0.2301587 0.3986466 0.4568530), wk = 0.0034014 k( 206) = ( 0.2222222 0.3849002 0.4568530), wk = 0.0034014 k( 207) = ( 0.2142857 0.3711537 0.4568530), wk = 0.0034014 k( 208) = ( 0.2063492 0.3574073 0.4568530), wk = 0.0034014 k( 209) = ( 0.1984127 0.3436609 0.4568530), wk = 0.0034014 k( 210) = ( 0.1904762 0.3299144 0.4568530), wk = 0.0034014 k( 211) = ( 0.1825397 0.3161680 0.4568530), wk = 0.0034014 k( 212) = ( 0.1746032 0.3024216 0.4568530), wk = 0.0034014 k( 213) = ( 0.1666667 0.2886751 0.4568530), wk = 0.0034014 k( 214) = ( 0.1587302 0.2749287 0.4568530), wk = 0.0034014 k( 215) = ( 0.1507937 0.2611823 0.4568530), wk = 0.0034014 k( 216) = ( 0.1428571 0.2474358 0.4568530), wk = 0.0034014 k( 217) = ( 0.1349206 0.2336894 0.4568530), wk = 0.0034014 k( 218) = ( 0.1269841 0.2199430 0.4568530), wk = 0.0034014 k( 219) = ( 0.1190476 0.2061965 0.4568530), wk = 0.0034014 k( 220) = ( 0.1111111 0.1924501 0.4568530), wk = 0.0034014 k( 221) = ( 0.1031746 0.1787036 0.4568530), wk = 0.0034014 k( 222) = ( 0.0952381 0.1649572 0.4568530), wk = 0.0034014 k( 223) = ( 0.0873016 0.1512108 0.4568530), wk = 0.0034014 k( 224) = ( 0.0793651 0.1374644 0.4568530), wk = 0.0034014 k( 225) = ( 0.0714286 0.1237179 0.4568530), wk = 0.0034014 k( 226) = ( 0.0634921 0.1099715 0.4568530), wk = 0.0034014 k( 227) = ( 0.0555556 0.0962251 0.4568530), wk = 0.0034014 k( 228) = ( 0.0476191 0.0824786 0.4568530), wk = 0.0034014 k( 229) = ( 0.0396825 0.0687322 0.4568530), wk = 0.0034014 k( 230) = ( 0.0317460 0.0549857 0.4568530), wk = 0.0034014 k( 231) = ( 0.0238095 0.0412393 0.4568530), wk = 0.0034014 k( 232) = ( 0.0158730 0.0274929 0.4568530), wk = 0.0034014 k( 233) = ( 0.0079365 0.0137464 0.4568530), wk = 0.0034014 k( 234) = ( 0.0000000 0.0000000 0.4568530), wk = 0.0034014 k( 235) = ( 0.5000000 0.2886751 0.4568530), wk = 0.0034014 k( 236) = ( 0.5000000 0.2886751 0.4410995), wk = 0.0034014 k( 237) = ( 0.5000000 0.2886751 0.4253459), wk = 0.0034014 k( 238) = ( 0.5000000 0.2886751 0.4095924), wk = 0.0034014 k( 239) = ( 0.5000000 0.2886751 0.3938388), wk = 0.0034014 k( 240) = ( 0.5000000 0.2886751 0.3780853), wk = 0.0034014 k( 241) = ( 0.5000000 0.2886751 0.3623317), wk = 0.0034014 k( 242) = ( 0.5000000 0.2886751 0.3465781), wk = 0.0034014 k( 243) = ( 0.5000000 0.2886751 0.3308246), wk = 0.0034014 k( 244) = ( 0.5000000 0.2886751 0.3150711), wk = 0.0034014 k( 245) = ( 0.5000000 0.2886751 0.2993175), wk = 0.0034014 k( 246) = ( 0.5000000 0.2886751 0.2835639), wk = 0.0034014 k( 247) = ( 0.5000000 0.2886751 0.2678104), wk = 0.0034014 k( 248) = ( 0.5000000 0.2886751 0.2520568), wk = 0.0034014 k( 249) = ( 0.5000000 0.2886751 0.2363033), wk = 0.0034014 k( 250) = ( 0.5000000 0.2886751 0.2205497), wk = 0.0034014 k( 251) = ( 0.5000000 0.2886751 0.2047962), wk = 0.0034014 k( 252) = ( 0.5000000 0.2886751 0.1890426), wk = 0.0034014 k( 253) = ( 0.5000000 0.2886751 0.1732891), wk = 0.0034014 k( 254) = ( 0.5000000 0.2886751 0.1575355), wk = 0.0034014 k( 255) = ( 0.5000000 0.2886751 0.1417820), wk = 0.0034014 k( 256) = ( 0.5000000 0.2886751 0.1260284), wk = 0.0034014 k( 257) = ( 0.5000000 0.2886751 0.1102749), wk = 0.0034014 k( 258) = ( 0.5000000 0.2886751 0.0945213), wk = 0.0034014 k( 259) = ( 0.5000000 0.2886751 0.0787678), wk = 0.0034014 k( 260) = ( 0.5000000 0.2886751 0.0630142), wk = 0.0034014 k( 261) = ( 0.5000000 0.2886751 0.0472607), wk = 0.0034014 k( 262) = ( 0.5000000 0.2886751 0.0315071), wk = 0.0034014 k( 263) = ( 0.5000000 0.2886751 0.0157536), wk = 0.0034014 k( 264) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034014 k( 265) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034014 k( 266) = ( 0.3333333 0.5773503 0.0157536), wk = 0.0034014 k( 267) = ( 0.3333333 0.5773503 0.0315071), wk = 0.0034014 k( 268) = ( 0.3333333 0.5773503 0.0472607), wk = 0.0034014 k( 269) = ( 0.3333333 0.5773503 0.0630142), wk = 0.0034014 k( 270) = ( 0.3333333 0.5773503 0.0787678), wk = 0.0034014 k( 271) = ( 0.3333333 0.5773503 0.0945213), wk = 0.0034014 k( 272) = ( 0.3333333 0.5773503 0.1102749), wk = 0.0034014 k( 273) = ( 0.3333333 0.5773503 0.1260284), wk = 0.0034014 k( 274) = ( 0.3333333 0.5773503 0.1417820), wk = 0.0034014 k( 275) = ( 0.3333333 0.5773503 0.1575355), wk = 0.0034014 k( 276) = ( 0.3333333 0.5773503 0.1732891), wk = 0.0034014 k( 277) = ( 0.3333333 0.5773503 0.1890426), wk = 0.0034014 k( 278) = ( 0.3333333 0.5773503 0.2047962), wk = 0.0034014 k( 279) = ( 0.3333333 0.5773503 0.2205497), wk = 0.0034014 k( 280) = ( 0.3333333 0.5773503 0.2363033), wk = 0.0034014 k( 281) = ( 0.3333333 0.5773503 0.2520568), wk = 0.0034014 k( 282) = ( 0.3333333 0.5773503 0.2678104), wk = 0.0034014 k( 283) = ( 0.3333333 0.5773503 0.2835639), wk = 0.0034014 k( 284) = ( 0.3333333 0.5773503 0.2993175), wk = 0.0034014 k( 285) = ( 0.3333333 0.5773503 0.3150711), wk = 0.0034014 k( 286) = ( 0.3333333 0.5773503 0.3308246), wk = 0.0034014 k( 287) = ( 0.3333333 0.5773503 0.3465781), wk = 0.0034014 k( 288) = ( 0.3333333 0.5773503 0.3623317), wk = 0.0034014 k( 289) = ( 0.3333333 0.5773503 0.3780853), wk = 0.0034014 k( 290) = ( 0.3333333 0.5773503 0.3938388), wk = 0.0034014 k( 291) = ( 0.3333333 0.5773503 0.4095924), wk = 0.0034014 k( 292) = ( 0.3333333 0.5773503 0.4253459), wk = 0.0034014 k( 293) = ( 0.3333333 0.5773503 0.4410995), wk = 0.0034014 k( 294) = ( 0.3333333 0.5773503 0.4568530), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0034014 k( 3) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0034014 k( 4) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0034014 k( 5) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0034014 k( 6) = ( 0.0694444 0.0000000 0.0000000), wk = 0.0034014 k( 7) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0034014 k( 8) = ( 0.0972222 0.0000000 0.0000000), wk = 0.0034014 k( 9) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0034014 k( 10) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0034014 k( 11) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0034014 k( 12) = ( 0.1527778 0.0000000 0.0000000), wk = 0.0034014 k( 13) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0034014 k( 14) = ( 0.1805556 0.0000000 0.0000000), wk = 0.0034014 k( 15) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0034014 k( 16) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0034014 k( 17) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0034014 k( 18) = ( 0.2361111 0.0000000 0.0000000), wk = 0.0034014 k( 19) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0034014 k( 20) = ( 0.2638889 0.0000000 0.0000000), wk = 0.0034014 k( 21) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0034014 k( 22) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0034014 k( 23) = ( 0.3055556 0.0000000 0.0000000), wk = 0.0034014 k( 24) = ( 0.3194444 -0.0000000 0.0000000), wk = 0.0034014 k( 25) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0034014 k( 26) = ( 0.3472222 -0.0000000 0.0000000), wk = 0.0034014 k( 27) = ( 0.3611111 0.0000000 0.0000000), wk = 0.0034014 k( 28) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034014 k( 29) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0034014 k( 30) = ( 0.4027778 0.0000000 0.0000000), wk = 0.0034014 k( 31) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0034014 k( 32) = ( 0.4305556 -0.0000000 0.0000000), wk = 0.0034014 k( 33) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0034014 k( 34) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0034014 k( 35) = ( 0.4722222 0.0000000 0.0000000), wk = 0.0034014 k( 36) = ( 0.4861111 0.0000000 0.0000000), wk = 0.0034014 k( 37) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034014 k( 38) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034014 k( 39) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0034014 k( 40) = ( 0.4841270 0.0317460 0.0000000), wk = 0.0034014 k( 41) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0034014 k( 42) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0034014 k( 43) = ( 0.4603175 0.0793651 0.0000000), wk = 0.0034014 k( 44) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0034014 k( 45) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0034014 k( 46) = ( 0.4365079 0.1269841 -0.0000000), wk = 0.0034014 k( 47) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0034014 k( 48) = ( 0.4206349 0.1587302 0.0000000), wk = 0.0034014 k( 49) = ( 0.4126984 0.1746032 0.0000000), wk = 0.0034014 k( 50) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0034014 k( 51) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0034014 k( 52) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0034014 k( 53) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0034014 k( 54) = ( 0.3730159 0.2539682 0.0000000), wk = 0.0034014 k( 55) = ( 0.3650794 0.2698413 0.0000000), wk = 0.0034014 k( 56) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0034014 k( 57) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0034014 k( 58) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0034014 k( 59) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034014 k( 60) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034014 k( 61) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0034014 k( 62) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0034014 k( 63) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0034014 k( 64) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0034014 k( 65) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0034014 k( 66) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0034014 k( 67) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0034014 k( 68) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0034014 k( 69) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0034014 k( 70) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0034014 k( 71) = ( 0.2460317 0.2460317 0.0000000), wk = 0.0034014 k( 72) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0034014 k( 73) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0034014 k( 74) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0034014 k( 75) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0034014 k( 76) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0034014 k( 77) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0034014 k( 78) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0034014 k( 79) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0034014 k( 80) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0034014 k( 81) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034014 k( 82) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0034014 k( 83) = ( 0.1507937 0.1507936 -0.0000000), wk = 0.0034014 k( 84) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0034014 k( 85) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0034014 k( 86) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0034014 k( 87) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0034014 k( 88) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0034014 k( 89) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0034014 k( 90) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0034014 k( 91) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0034014 k( 92) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0034014 k( 93) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0034014 k( 94) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0034014 k( 95) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0034014 k( 96) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0034014 k( 97) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0034014 k( 98) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0034014 k( 99) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0034014 k( 100) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0034014 k( 101) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0034014 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 104) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0034014 k( 105) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0034014 k( 106) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0034014 k( 107) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0034014 k( 108) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0034014 k( 109) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0034014 k( 110) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0034014 k( 111) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0034014 k( 112) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0034014 k( 113) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0034014 k( 114) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0034014 k( 115) = ( 0.0000000 0.0000000 0.2068965), wk = 0.0034014 k( 116) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0034014 k( 117) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0034014 k( 118) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0034014 k( 119) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0034014 k( 120) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0034014 k( 121) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0034014 k( 122) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0034014 k( 123) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0034014 k( 124) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0034014 k( 125) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0034014 k( 126) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0034014 k( 127) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0034014 k( 128) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0034014 k( 129) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0034014 k( 130) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0034014 k( 131) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0034014 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 134) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0034014 k( 135) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0034014 k( 136) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0034014 k( 137) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0034014 k( 138) = ( 0.0694444 0.0000000 0.5000000), wk = 0.0034014 k( 139) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0034014 k( 140) = ( 0.0972222 0.0000000 0.5000000), wk = 0.0034014 k( 141) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0034014 k( 142) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0034014 k( 143) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0034014 k( 144) = ( 0.1527778 0.0000000 0.5000000), wk = 0.0034014 k( 145) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0034014 k( 146) = ( 0.1805556 0.0000000 0.5000000), wk = 0.0034014 k( 147) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0034014 k( 148) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0034014 k( 149) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0034014 k( 150) = ( 0.2361111 0.0000000 0.5000000), wk = 0.0034014 k( 151) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0034014 k( 152) = ( 0.2638889 0.0000000 0.5000000), wk = 0.0034014 k( 153) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0034014 k( 154) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0034014 k( 155) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0034014 k( 156) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0034014 k( 157) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0034014 k( 158) = ( 0.3472222 -0.0000000 0.5000000), wk = 0.0034014 k( 159) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0034014 k( 160) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0034014 k( 161) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0034014 k( 162) = ( 0.4027778 0.0000000 0.5000000), wk = 0.0034014 k( 163) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0034014 k( 164) = ( 0.4305556 -0.0000000 0.5000000), wk = 0.0034014 k( 165) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0034014 k( 166) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0034014 k( 167) = ( 0.4722222 0.0000000 0.5000000), wk = 0.0034014 k( 168) = ( 0.4861111 0.0000000 0.5000000), wk = 0.0034014 k( 169) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034014 k( 170) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034014 k( 171) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0034014 k( 172) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0034014 k( 173) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0034014 k( 174) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0034014 k( 175) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0034014 k( 176) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0034014 k( 177) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0034014 k( 178) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0034014 k( 179) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0034014 k( 180) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0034014 k( 181) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0034014 k( 182) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0034014 k( 183) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0034014 k( 184) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0034014 k( 185) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0034014 k( 186) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0034014 k( 187) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0034014 k( 188) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0034014 k( 189) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0034014 k( 190) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0034014 k( 191) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034014 k( 192) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034014 k( 193) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0034014 k( 194) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0034014 k( 195) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0034014 k( 196) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0034014 k( 197) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0034014 k( 198) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0034014 k( 199) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0034014 k( 200) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0034014 k( 201) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0034014 k( 202) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0034014 k( 203) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0034014 k( 204) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0034014 k( 205) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0034014 k( 206) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0034014 k( 207) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0034014 k( 208) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0034014 k( 209) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0034014 k( 210) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0034014 k( 211) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0034014 k( 212) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0034014 k( 213) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034014 k( 214) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0034014 k( 215) = ( 0.1507937 0.1507936 0.5000000), wk = 0.0034014 k( 216) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0034014 k( 217) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0034014 k( 218) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0034014 k( 219) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0034014 k( 220) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0034014 k( 221) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0034014 k( 222) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0034014 k( 223) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0034014 k( 224) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0034014 k( 225) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0034014 k( 226) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0034014 k( 227) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0034014 k( 228) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0034014 k( 229) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0034014 k( 230) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0034014 k( 231) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0034014 k( 232) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0034014 k( 233) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0034014 k( 234) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 235) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034014 k( 236) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0034014 k( 237) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0034014 k( 238) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0034014 k( 239) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0034014 k( 240) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0034014 k( 241) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0034014 k( 242) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0034014 k( 243) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0034014 k( 244) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0034014 k( 245) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0034014 k( 246) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0034014 k( 247) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0034014 k( 248) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0034014 k( 249) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0034014 k( 250) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0034014 k( 251) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0034014 k( 252) = ( 0.5000000 -0.0000000 0.2068965), wk = 0.0034014 k( 253) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0034014 k( 254) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0034014 k( 255) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0034014 k( 256) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0034014 k( 257) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0034014 k( 258) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0034014 k( 259) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0034014 k( 260) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0034014 k( 261) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0034014 k( 262) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0034014 k( 263) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0034014 k( 264) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034014 k( 265) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034014 k( 266) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0034014 k( 267) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0034014 k( 268) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0034014 k( 269) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0034014 k( 270) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0034014 k( 271) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0034014 k( 272) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0034014 k( 273) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0034014 k( 274) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0034014 k( 275) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0034014 k( 276) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0034014 k( 277) = ( 0.3333333 0.3333333 0.2068965), wk = 0.0034014 k( 278) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0034014 k( 279) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0034014 k( 280) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0034014 k( 281) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0034014 k( 282) = ( 0.3333333 0.3333333 0.2931035), wk = 0.0034014 k( 283) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0034014 k( 284) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0034014 k( 285) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0034014 k( 286) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0034014 k( 287) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0034014 k( 288) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0034014 k( 289) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0034014 k( 290) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0034014 k( 291) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0034014 k( 292) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0034014 k( 293) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0034014 k( 294) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034014 Dense grid: 82801 G-vectors FFT dimensions: ( 60, 60, 64) Smooth grid: 36513 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 190, 58) NL pseudopotentials 0.18 Mb ( 95, 126) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1723) G-vector shells 0.01 Mb ( 833) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 190, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 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 40.1 secs Computing kpt #: 2 total cpu time spent up to now is 42.4 secs Computing kpt #: 3 total cpu time spent up to now is 44.7 secs Computing kpt #: 4 total cpu time spent up to now is 46.9 secs Computing kpt #: 5 total cpu time spent up to now is 49.3 secs Computing kpt #: 6 total cpu time spent up to now is 51.7 secs Computing kpt #: 7 total cpu time spent up to now is 54.1 secs Computing kpt #: 8 total cpu time spent up to now is 56.5 secs Computing kpt #: 9 total cpu time spent up to now is 58.9 secs Computing kpt #: 10 total cpu time spent up to now is 61.4 secs Computing kpt #: 11 total cpu time spent up to now is 63.8 secs Computing kpt #: 12 total cpu time spent up to now is 66.3 secs Computing kpt #: 13 total cpu time spent up to now is 68.8 secs Computing kpt #: 14 total cpu time spent up to now is 71.3 secs Computing kpt #: 15 total cpu time spent up to now is 73.9 secs Computing kpt #: 16 total cpu time spent up to now is 76.6 secs Computing kpt #: 17 total cpu time spent up to now is 79.2 secs Computing kpt #: 18 total cpu time spent up to now is 81.9 secs Computing kpt #: 19 total cpu time spent up to now is 84.6 secs Computing kpt #: 20 total cpu time spent up to now is 87.5 secs Computing kpt #: 21 total cpu time spent up to now is 91.8 secs Computing kpt #: 22 total cpu time spent up to now is 96.2 secs Computing kpt #: 23 total cpu time spent up to now is 101.3 secs Computing kpt #: 24 total cpu time spent up to now is 106.2 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.6 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.8 secs Computing kpt #: 27 total cpu time spent up to now is 120.0 secs Computing kpt #: 28 total cpu time spent up to now is 123.1 secs Computing kpt #: 29 total cpu time spent up to now is 125.8 secs Computing kpt #: 30 total cpu time spent up to now is 128.8 secs Computing kpt #: 31 total cpu time spent up to now is 131.5 secs Computing kpt #: 32 total cpu time spent up to now is 134.3 secs Computing kpt #: 33 total cpu time spent up to now is 137.0 secs Computing kpt #: 34 total cpu time spent up to now is 139.7 secs Computing kpt #: 35 total cpu time spent up to now is 142.4 secs Computing kpt #: 36 total cpu time spent up to now is 145.2 secs Computing kpt #: 37 total cpu time spent up to now is 147.9 secs Computing kpt #: 38 total cpu time spent up to now is 150.6 secs Computing kpt #: 39 total cpu time spent up to now is 153.3 secs Computing kpt #: 40 total cpu time spent up to now is 156.1 secs Computing kpt #: 41 total cpu time spent up to now is 159.0 secs Computing kpt #: 42 total cpu time spent up to now is 161.8 secs Computing kpt #: 43 total cpu time spent up to now is 164.7 secs Computing kpt #: 44 total cpu time spent up to now is 167.5 secs Computing kpt #: 45 total cpu time spent up to now is 170.3 secs Computing kpt #: 46 total cpu time spent up to now is 173.1 secs Computing kpt #: 47 total cpu time spent up to now is 176.0 secs Computing kpt #: 48 total cpu time spent up to now is 178.8 secs Computing kpt #: 49 total cpu time spent up to now is 181.7 secs Computing kpt #: 50 total cpu time spent up to now is 184.7 secs Computing kpt #: 51 total cpu time spent up to now is 187.8 secs Computing kpt #: 52 total cpu time spent up to now is 190.8 secs Computing kpt #: 53 total cpu time spent up to now is 194.0 secs Computing kpt #: 54 total cpu time spent up to now is 197.6 secs Computing kpt #: 55 total cpu time spent up to now is 202.1 secs Computing kpt #: 56 total cpu time spent up to now is 206.5 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.6 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.7 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.8 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.8 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.8 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.9 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.1 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.3 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.5 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.9 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.2 secs Computing kpt #: 68 total cpu time spent up to now is 268.2 secs Computing kpt #: 69 total cpu time spent up to now is 272.3 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.8 secs Computing kpt #: 71 total cpu time spent up to now is 282.1 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.4 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.8 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.0 secs Computing kpt #: 75 total cpu time spent up to now is 302.7 secs Computing kpt #: 76 total cpu time spent up to now is 306.8 secs Computing kpt #: 77 total cpu time spent up to now is 309.9 secs Computing kpt #: 78 total cpu time spent up to now is 312.9 secs Computing kpt #: 79 total cpu time spent up to now is 315.6 secs Computing kpt #: 80 total cpu time spent up to now is 318.4 secs Computing kpt #: 81 total cpu time spent up to now is 321.1 secs Computing kpt #: 82 total cpu time spent up to now is 323.8 secs Computing kpt #: 83 total cpu time spent up to now is 326.6 secs Computing kpt #: 84 total cpu time spent up to now is 329.4 secs Computing kpt #: 85 total cpu time spent up to now is 332.1 secs Computing kpt #: 86 total cpu time spent up to now is 334.7 secs Computing kpt #: 87 total cpu time spent up to now is 337.4 secs Computing kpt #: 88 total cpu time spent up to now is 340.1 secs Computing kpt #: 89 total cpu time spent up to now is 342.6 secs Computing kpt #: 90 total cpu time spent up to now is 345.2 secs Computing kpt #: 91 total cpu time spent up to now is 347.7 secs Computing kpt #: 92 total cpu time spent up to now is 350.1 secs Computing kpt #: 93 total cpu time spent up to now is 352.8 secs Computing kpt #: 94 total cpu time spent up to now is 355.4 secs Computing kpt #: 95 total cpu time spent up to now is 357.9 secs Computing kpt #: 96 total cpu time spent up to now is 360.2 secs Computing kpt #: 97 total cpu time spent up to now is 362.5 secs Computing kpt #: 98 total cpu time spent up to now is 364.7 secs Computing kpt #: 99 total cpu time spent up to now is 366.9 secs Computing kpt #: 100 total cpu time spent up to now is 369.0 secs Computing kpt #: 101 total cpu time spent up to now is 371.1 secs Computing kpt #: 102 total cpu time spent up to now is 373.4 secs Computing kpt #: 103 total cpu time spent up to now is 375.6 secs Computing kpt #: 104 total cpu time spent up to now is 377.7 secs Computing kpt #: 105 total cpu time spent up to now is 379.9 secs Computing kpt #: 106 total cpu time spent up to now is 382.5 secs Computing kpt #: 107 total cpu time spent up to now is 384.8 secs Computing kpt #: 108 total cpu time spent up to now is 387.1 secs Computing kpt #: 109 total cpu time spent up to now is 389.4 secs Computing kpt #: 110 total cpu time spent up to now is 392.0 secs Computing kpt #: 111 total cpu time spent up to now is 394.5 secs Computing kpt #: 112 total cpu time spent up to now is 397.1 secs Computing kpt #: 113 total cpu time spent up to now is 399.6 secs Computing kpt #: 114 total cpu time spent up to now is 402.0 secs Computing kpt #: 115 total cpu time spent up to now is 404.5 secs Computing kpt #: 116 total cpu time spent up to now is 407.3 secs Computing kpt #: 117 total cpu time spent up to now is 410.2 secs Computing kpt #: 118 total cpu time spent up to now is 413.0 secs Computing kpt #: 119 total cpu time spent up to now is 416.0 secs Computing kpt #: 120 total cpu time spent up to now is 419.4 secs Computing kpt #: 121 total cpu time spent up to now is 423.4 secs Computing kpt #: 122 total cpu time spent up to now is 427.7 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 432.8 secs Computing kpt #: 124 total cpu time spent up to now is 437.5 secs Computing kpt #: 125 total cpu time spent up to now is 440.6 secs Computing kpt #: 126 total cpu time spent up to now is 443.5 secs Computing kpt #: 127 total cpu time spent up to now is 446.3 secs Computing kpt #: 128 total cpu time spent up to now is 449.1 secs Computing kpt #: 129 total cpu time spent up to now is 451.9 secs Computing kpt #: 130 total cpu time spent up to now is 454.6 secs Computing kpt #: 131 total cpu time spent up to now is 457.2 secs Computing kpt #: 132 total cpu time spent up to now is 459.8 secs Computing kpt #: 133 total cpu time spent up to now is 462.4 secs Computing kpt #: 134 total cpu time spent up to now is 465.0 secs Computing kpt #: 135 total cpu time spent up to now is 467.5 secs Computing kpt #: 136 total cpu time spent up to now is 470.1 secs Computing kpt #: 137 total cpu time spent up to now is 472.7 secs Computing kpt #: 138 total cpu time spent up to now is 475.3 secs Computing kpt #: 139 total cpu time spent up to now is 478.0 secs Computing kpt #: 140 total cpu time spent up to now is 480.6 secs Computing kpt #: 141 total cpu time spent up to now is 483.2 secs Computing kpt #: 142 total cpu time spent up to now is 485.7 secs Computing kpt #: 143 total cpu time spent up to now is 488.3 secs Computing kpt #: 144 total cpu time spent up to now is 490.9 secs Computing kpt #: 145 total cpu time spent up to now is 493.5 secs Computing kpt #: 146 total cpu time spent up to now is 496.0 secs Computing kpt #: 147 total cpu time spent up to now is 498.7 secs Computing kpt #: 148 total cpu time spent up to now is 501.4 secs Computing kpt #: 149 total cpu time spent up to now is 504.0 secs Computing kpt #: 150 total cpu time spent up to now is 506.8 secs Computing kpt #: 151 total cpu time spent up to now is 509.4 secs Computing kpt #: 152 total cpu time spent up to now is 512.1 secs Computing kpt #: 153 total cpu time spent up to now is 514.8 secs Computing kpt #: 154 total cpu time spent up to now is 517.6 secs Computing kpt #: 155 total cpu time spent up to now is 520.3 secs Computing kpt #: 156 total cpu time spent up to now is 523.3 secs Computing kpt #: 157 total cpu time spent up to now is 526.0 secs Computing kpt #: 158 total cpu time spent up to now is 528.9 secs Computing kpt #: 159 total cpu time spent up to now is 532.0 secs Computing kpt #: 160 total cpu time spent up to now is 535.6 secs Computing kpt #: 161 total cpu time spent up to now is 540.6 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.8 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 551.1 secs Computing kpt #: 164 total cpu time spent up to now is 555.5 secs Computing kpt #: 165 total cpu time spent up to now is 558.7 secs Computing kpt #: 166 total cpu time spent up to now is 561.8 secs Computing kpt #: 167 total cpu time spent up to now is 564.8 secs Computing kpt #: 168 total cpu time spent up to now is 567.8 secs Computing kpt #: 169 total cpu time spent up to now is 570.8 secs Computing kpt #: 170 total cpu time spent up to now is 573.7 secs Computing kpt #: 171 total cpu time spent up to now is 576.7 secs Computing kpt #: 172 total cpu time spent up to now is 579.7 secs Computing kpt #: 173 total cpu time spent up to now is 582.7 secs Computing kpt #: 174 total cpu time spent up to now is 585.7 secs Computing kpt #: 175 total cpu time spent up to now is 588.6 secs Computing kpt #: 176 total cpu time spent up to now is 591.6 secs Computing kpt #: 177 total cpu time spent up to now is 594.4 secs Computing kpt #: 178 total cpu time spent up to now is 597.3 secs Computing kpt #: 179 total cpu time spent up to now is 600.7 secs Computing kpt #: 180 total cpu time spent up to now is 603.9 secs Computing kpt #: 181 total cpu time spent up to now is 607.5 secs Computing kpt #: 182 total cpu time spent up to now is 610.9 secs Computing kpt #: 183 total cpu time spent up to now is 614.5 secs Computing kpt #: 184 total cpu time spent up to now is 618.2 secs Computing kpt #: 185 total cpu time spent up to now is 621.8 secs Computing kpt #: 186 total cpu time spent up to now is 625.4 secs Computing kpt #: 187 total cpu time spent up to now is 629.0 secs Computing kpt #: 188 total cpu time spent up to now is 632.7 secs Computing kpt #: 189 total cpu time spent up to now is 636.5 secs Computing kpt #: 190 total cpu time spent up to now is 640.5 secs Computing kpt #: 191 total cpu time spent up to now is 645.3 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 650.6 secs Computing kpt #: 193 total cpu time spent up to now is 655.5 secs Computing kpt #: 194 total cpu time spent up to now is 659.4 secs Computing kpt #: 195 total cpu time spent up to now is 663.2 secs Computing kpt #: 196 total cpu time spent up to now is 666.9 secs Computing kpt #: 197 total cpu time spent up to now is 670.5 secs Computing kpt #: 198 total cpu time spent up to now is 674.1 secs Computing kpt #: 199 total cpu time spent up to now is 677.9 secs Computing kpt #: 200 total cpu time spent up to now is 681.7 secs Computing kpt #: 201 total cpu time spent up to now is 685.8 secs Computing kpt #: 202 total cpu time spent up to now is 690.1 secs Computing kpt #: 203 total cpu time spent up to now is 694.3 secs Computing kpt #: 204 total cpu time spent up to now is 697.8 secs Computing kpt #: 205 total cpu time spent up to now is 701.4 secs Computing kpt #: 206 total cpu time spent up to now is 704.8 secs Computing kpt #: 207 total cpu time spent up to now is 708.3 secs Computing kpt #: 208 total cpu time spent up to now is 711.4 secs Computing kpt #: 209 total cpu time spent up to now is 714.5 secs Computing kpt #: 210 total cpu time spent up to now is 717.4 secs Computing kpt #: 211 total cpu time spent up to now is 720.2 secs Computing kpt #: 212 total cpu time spent up to now is 723.2 secs Computing kpt #: 213 total cpu time spent up to now is 725.9 secs Computing kpt #: 214 total cpu time spent up to now is 728.6 secs Computing kpt #: 215 total cpu time spent up to now is 731.3 secs Computing kpt #: 216 total cpu time spent up to now is 734.1 secs Computing kpt #: 217 total cpu time spent up to now is 736.7 secs Computing kpt #: 218 total cpu time spent up to now is 739.5 secs Computing kpt #: 219 total cpu time spent up to now is 742.0 secs Computing kpt #: 220 total cpu time spent up to now is 744.6 secs Computing kpt #: 221 total cpu time spent up to now is 747.2 secs Computing kpt #: 222 total cpu time spent up to now is 749.7 secs Computing kpt #: 223 total cpu time spent up to now is 752.1 secs Computing kpt #: 224 total cpu time spent up to now is 754.6 secs Computing kpt #: 225 total cpu time spent up to now is 757.1 secs Computing kpt #: 226 total cpu time spent up to now is 759.6 secs Computing kpt #: 227 total cpu time spent up to now is 762.0 secs Computing kpt #: 228 total cpu time spent up to now is 764.6 secs Computing kpt #: 229 total cpu time spent up to now is 767.1 secs Computing kpt #: 230 total cpu time spent up to now is 769.6 secs Computing kpt #: 231 total cpu time spent up to now is 772.2 secs Computing kpt #: 232 total cpu time spent up to now is 774.8 secs Computing kpt #: 233 total cpu time spent up to now is 777.4 secs Computing kpt #: 234 total cpu time spent up to now is 780.0 secs Computing kpt #: 235 total cpu time spent up to now is 783.1 secs Computing kpt #: 236 total cpu time spent up to now is 786.1 secs Computing kpt #: 237 total cpu time spent up to now is 789.1 secs Computing kpt #: 238 total cpu time spent up to now is 792.0 secs Computing kpt #: 239 total cpu time spent up to now is 795.1 secs Computing kpt #: 240 total cpu time spent up to now is 798.3 secs Computing kpt #: 241 total cpu time spent up to now is 801.8 secs Computing kpt #: 242 total cpu time spent up to now is 805.8 secs Computing kpt #: 243 total cpu time spent up to now is 810.6 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 815.8 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 821.0 secs Computing kpt #: 246 total cpu time spent up to now is 824.9 secs Computing kpt #: 247 total cpu time spent up to now is 828.7 secs Computing kpt #: 248 total cpu time spent up to now is 832.3 secs Computing kpt #: 249 total cpu time spent up to now is 836.1 secs Computing kpt #: 250 total cpu time spent up to now is 838.8 secs Computing kpt #: 251 total cpu time spent up to now is 841.7 secs Computing kpt #: 252 total cpu time spent up to now is 845.0 secs Computing kpt #: 253 total cpu time spent up to now is 848.1 secs Computing kpt #: 254 total cpu time spent up to now is 851.3 secs Computing kpt #: 255 total cpu time spent up to now is 854.1 secs Computing kpt #: 256 total cpu time spent up to now is 857.1 secs Computing kpt #: 257 total cpu time spent up to now is 859.9 secs Computing kpt #: 258 total cpu time spent up to now is 862.7 secs Computing kpt #: 259 total cpu time spent up to now is 865.7 secs Computing kpt #: 260 total cpu time spent up to now is 868.6 secs Computing kpt #: 261 total cpu time spent up to now is 871.4 secs Computing kpt #: 262 total cpu time spent up to now is 874.2 secs Computing kpt #: 263 total cpu time spent up to now is 876.9 secs Computing kpt #: 264 total cpu time spent up to now is 879.6 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 884.7 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 889.8 secs Computing kpt #: 267 total cpu time spent up to now is 893.8 secs Computing kpt #: 268 total cpu time spent up to now is 897.0 secs Computing kpt #: 269 total cpu time spent up to now is 900.0 secs Computing kpt #: 270 total cpu time spent up to now is 903.1 secs Computing kpt #: 271 total cpu time spent up to now is 906.1 secs Computing kpt #: 272 total cpu time spent up to now is 909.1 secs Computing kpt #: 273 total cpu time spent up to now is 912.0 secs Computing kpt #: 274 total cpu time spent up to now is 914.8 secs Computing kpt #: 275 total cpu time spent up to now is 917.6 secs Computing kpt #: 276 total cpu time spent up to now is 920.3 secs Computing kpt #: 277 total cpu time spent up to now is 923.2 secs Computing kpt #: 278 total cpu time spent up to now is 926.0 secs Computing kpt #: 279 total cpu time spent up to now is 928.7 secs Computing kpt #: 280 total cpu time spent up to now is 931.6 secs Computing kpt #: 281 total cpu time spent up to now is 934.3 secs Computing kpt #: 282 total cpu time spent up to now is 937.2 secs Computing kpt #: 283 total cpu time spent up to now is 940.4 secs Computing kpt #: 284 total cpu time spent up to now is 943.6 secs Computing kpt #: 285 total cpu time spent up to now is 947.3 secs Computing kpt #: 286 total cpu time spent up to now is 951.6 secs Computing kpt #: 287 total cpu time spent up to now is 956.2 secs Computing kpt #: 288 total cpu time spent up to now is 959.9 secs Computing kpt #: 289 total cpu time spent up to now is 963.4 secs Computing kpt #: 290 total cpu time spent up to now is 967.0 secs Computing kpt #: 291 total cpu time spent up to now is 970.5 secs Computing kpt #: 292 total cpu time spent up to now is 974.2 secs Computing kpt #: 293 total cpu time spent up to now is 978.1 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 983.6 secs ethr = 2.08E-11, avg # of iterations = 54.5 total cpu time spent up to now is 983.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4571 PWs) bands (ev): -17.6345 -17.6345 -16.1997 -16.1997 -16.1995 -16.1995 -15.6207 -15.6207 -15.5612 -15.5612 -15.5574 -15.5574 -6.8089 -6.8089 -6.8088 -6.8088 -3.9551 -3.9551 -3.7092 -3.7092 -3.6210 -3.6210 -3.6140 -3.6140 -1.1073 -1.1073 -1.0982 -1.0982 -1.0953 -1.0953 -0.8028 -0.8028 -0.0014 -0.0014 0.0282 0.0282 0.0328 0.0328 0.7622 0.7622 0.7648 0.7648 1.2703 1.2703 1.2825 1.2825 1.5330 1.5330 7.3727 7.3727 10.6676 10.6676 10.6685 10.6685 10.8859 10.8859 10.9056 10.9056 k = 0.0139 0.0080-0.0000 ( 4571 PWs) bands (ev): -17.6340 -17.6340 -16.2004 -16.2003 -16.1996 -16.1995 -15.6208 -15.6206 -15.5613 -15.5613 -15.5575 -15.5575 -6.8092 -6.8091 -6.8075 -6.8074 -3.9550 -3.9548 -3.7126 -3.7099 -3.6215 -3.6197 -3.6129 -3.6122 -1.1072 -1.1070 -1.1010 -1.0983 -1.0959 -1.0955 -0.8011 -0.7989 -0.0030 -0.0013 0.0268 0.0280 0.0319 0.0322 0.7612 0.7613 0.7640 0.7640 1.2712 1.2713 1.2834 1.2837 1.5318 1.5318 7.3755 7.3755 10.6659 10.6667 10.6684 10.6694 10.8874 10.8876 10.9072 10.9072 k = 0.0278 0.0160-0.0000 ( 4587 PWs) bands (ev): -17.6324 -17.6324 -16.2026 -16.2024 -16.1996 -16.1993 -15.6209 -15.6204 -15.5615 -15.5615 -15.5578 -15.5577 -6.8102 -6.8098 -6.8033 -6.8032 -3.9547 -3.9543 -3.7191 -3.7145 -3.6229 -3.6215 -3.6075 -3.6045 -1.1087 -1.1071 -1.1060 -1.1033 -1.0947 -1.0945 -0.7940 -0.7898 -0.0059 -0.0029 0.0239 0.0246 0.0296 0.0318 0.7580 0.7587 0.7614 0.7620 1.2740 1.2743 1.2865 1.2868 1.5279 1.5280 7.3840 7.3840 10.6619 10.6653 10.6670 10.6708 10.8914 10.8925 10.9118 10.9127 k = 0.0417 0.0241-0.0000 ( 4591 PWs) bands (ev): -17.6299 -17.6299 -16.2063 -16.2060 -16.1994 -16.1990 -15.6209 -15.6202 -15.5619 -15.5619 -15.5582 -15.5580 -6.8117 -6.8112 -6.7964 -6.7963 -3.9540 -3.9535 -3.7276 -3.7217 -3.6270 -3.6261 -3.5973 -3.5926 -1.1197 -1.1140 -1.1051 -1.1049 -1.0923 -1.0921 -0.7822 -0.7763 -0.0108 -0.0071 0.0183 0.0195 0.0270 0.0318 0.7525 0.7542 0.7575 0.7589 1.2781 1.2790 1.2918 1.2918 1.5216 1.5217 7.3981 7.3981 10.6563 10.6621 10.6663 10.6726 10.8968 10.8999 10.9199 10.9227 k = 0.0556 0.0321-0.0000 ( 4589 PWs) bands (ev): -17.6263 -17.6263 -16.2114 -16.2110 -16.1991 -16.1986 -15.6208 -15.6199 -15.5625 -15.5624 -15.5587 -15.5584 -6.8138 -6.8131 -6.7868 -6.7866 -3.9532 -3.9524 -3.7369 -3.7302 -3.6334 -3.6327 -3.5838 -3.5783 -1.1335 -1.1265 -1.1038 -1.1033 -1.0890 -1.0886 -0.7666 -0.7594 -0.0186 -0.0151 0.0106 0.0142 0.0247 0.0317 0.7452 0.7476 0.7528 0.7549 1.2832 1.2850 1.2987 1.2994 1.5130 1.5132 7.4177 7.4177 10.6492 10.6566 10.6670 10.6751 10.9033 10.9086 10.9324 10.9372 k = 0.0694 0.0401-0.0000 ( 4595 PWs) bands (ev): -17.6217 -17.6216 -16.2179 -16.2175 -16.1988 -16.1981 -15.6207 -15.6195 -15.5631 -15.5630 -15.5593 -15.5590 -6.8164 -6.8156 -6.7745 -6.7742 -3.9521 -3.9511 -3.7464 -3.7392 -3.6418 -3.6413 -3.5683 -3.5623 -1.1491 -1.1413 -1.1021 -1.1013 -1.0848 -1.0842 -0.7481 -0.7399 -0.0303 -0.0278 0.0028 0.0091 0.0227 0.0314 0.7363 0.7393 0.7474 0.7501 1.2891 1.2919 1.3072 1.3089 1.5022 1.5026 7.4427 7.4427 10.6409 10.6496 10.6690 10.6786 10.9110 10.9180 10.9493 10.9557 k = 0.0833 0.0481-0.0000 ( 4598 PWs) bands (ev): -17.6160 -17.6160 -16.2258 -16.2253 -16.1984 -16.1975 -15.6206 -15.6192 -15.5640 -15.5637 -15.5601 -15.5596 -6.8195 -6.8185 -6.7595 -6.7592 -3.9508 -3.9497 -3.7558 -3.7483 -3.6521 -3.6516 -3.5511 -3.5449 -1.1659 -1.1573 -1.0999 -1.0990 -1.0796 -1.0787 -0.7275 -0.7186 -0.0464 -0.0447 -0.0045 0.0041 0.0208 0.0310 0.7261 0.7296 0.7414 0.7445 1.2957 1.2994 1.3170 1.3195 1.4896 1.4903 7.4730 7.4730 10.6316 10.6413 10.6727 10.6833 10.9201 10.9282 10.9701 10.9776 k = 0.0972 0.0561-0.0000 ( 4608 PWs) bands (ev): -17.6094 -17.6094 -16.2350 -16.2345 -16.1978 -16.1969 -15.6204 -15.6188 -15.5650 -15.5646 -15.5610 -15.5604 -6.8232 -6.8220 -6.7419 -6.7416 -3.9495 -3.9482 -3.7648 -3.7572 -3.6642 -3.6638 -3.5327 -3.5263 -1.1832 -1.1741 -1.0975 -1.0964 -1.0734 -1.0723 -0.7056 -0.6961 -0.0665 -0.0654 -0.0115 -0.0014 0.0192 0.0304 0.7150 0.7188 0.7349 0.7383 1.3028 1.3072 1.3270 1.3303 1.4759 1.4770 7.5085 7.5085 10.6217 10.6321 10.6781 10.6897 10.9306 10.9394 10.9941 11.0023 k = 0.1111 0.0642-0.0000 ( 4600 PWs) bands (ev): -17.6018 -17.6018 -16.2457 -16.2451 -16.1972 -16.1961 -15.6201 -15.6183 -15.5661 -15.5656 -15.5620 -15.5612 -6.8272 -6.8259 -6.7219 -6.7215 -3.9480 -3.9466 -3.7734 -3.7656 -3.6781 -3.6777 -3.5133 -3.5069 -1.2006 -1.1912 -1.0948 -1.0935 -1.0662 -1.0650 -0.6827 -0.6728 -0.0899 -0.0892 -0.0186 -0.0074 0.0178 0.0298 0.7033 0.7074 0.7282 0.7319 1.3104 1.3152 1.3358 1.3399 1.4625 1.4641 7.5489 7.5489 10.6114 10.6222 10.6857 10.6980 10.9426 10.9518 11.0208 11.0295 k = 0.1250 0.0722-0.0000 ( 4600 PWs) bands (ev): -17.5932 -17.5932 -16.2576 -16.2570 -16.1965 -16.1953 -15.6198 -15.6178 -15.5673 -15.5666 -15.5631 -15.5621 -6.8317 -6.8303 -6.6994 -6.6990 -3.9466 -3.9451 -3.7814 -3.7736 -3.6937 -3.6933 -3.4929 -3.4866 -1.2178 -1.2081 -1.0920 -1.0905 -1.0580 -1.0566 -0.6593 -0.6491 -0.1163 -0.1157 -0.0262 -0.0143 0.0166 0.0290 0.6911 0.6954 0.7215 0.7254 1.3182 1.3230 1.3410 1.3455 1.4517 1.4539 7.5942 7.5942 10.6009 10.6121 10.6955 10.7083 10.9559 10.9654 11.0499 11.0588 k = 0.1389 0.0802-0.0000 ( 4614 PWs) bands (ev): -17.5837 -17.5837 -16.2708 -16.2701 -16.1958 -16.1945 -15.6195 -15.6173 -15.5686 -15.5678 -15.5642 -15.5631 -6.8366 -6.8350 -6.6746 -6.6742 -3.9453 -3.9437 -3.7887 -3.7809 -3.7110 -3.7106 -3.4718 -3.4655 -1.2347 -1.2248 -1.0890 -1.0873 -1.0490 -1.0474 -0.6357 -0.6254 -0.1451 -0.1447 -0.0343 -0.0219 0.0154 0.0283 0.6787 0.6832 0.7149 0.7189 1.3260 1.3286 1.3412 1.3435 1.4470 1.4494 7.6440 7.6440 10.5905 10.6018 10.7075 10.7207 10.9706 10.9801 11.0810 11.0899 k = 0.1528 0.0882-0.0000 ( 4614 PWs) bands (ev): -17.5732 -17.5732 -16.2853 -16.2846 -16.1949 -16.1935 -15.6191 -15.6168 -15.5700 -15.5690 -15.5654 -15.5642 -6.8417 -6.8401 -6.6475 -6.6471 -3.9441 -3.9424 -3.7953 -3.7876 -3.7299 -3.7295 -3.4499 -3.4438 -1.2509 -1.2409 -1.0861 -1.0842 -1.0389 -1.0371 -0.6123 -0.6018 -0.1759 -0.1756 -0.0430 -0.0304 0.0143 0.0275 0.6663 0.6709 0.7086 0.7127 1.3227 1.3306 1.3350 1.3437 1.4505 1.4525 7.6982 7.6983 10.5804 10.5918 10.7218 10.7354 10.9866 10.9960 11.1137 11.1226 k = 0.1667 0.0962-0.0000 ( 4608 PWs) bands (ev): -17.5618 -17.5618 -16.3009 -16.3002 -16.1941 -16.1926 -15.6187 -15.6162 -15.5714 -15.5703 -15.5667 -15.5653 -6.8472 -6.8455 -6.6184 -6.6179 -3.9431 -3.9414 -3.8013 -3.7935 -3.7503 -3.7498 -3.4274 -3.4214 -1.2664 -1.2563 -1.0833 -1.0811 -1.0279 -1.0259 -0.5891 -0.5786 -0.2085 -0.2082 -0.0525 -0.0396 0.0134 0.0267 0.6541 0.6587 0.7028 0.7069 1.3046 1.3116 1.3418 1.3504 1.4604 1.4617 7.7566 7.7566 10.5708 10.5821 10.7385 10.7523 11.0036 11.0129 11.1479 11.1567 k = 0.1806 0.1042-0.0000 ( 4610 PWs) bands (ev): -17.5495 -17.5495 -16.3177 -16.3169 -16.1931 -16.1915 -15.6182 -15.6157 -15.5729 -15.5717 -15.5680 -15.5665 -6.8529 -6.8511 -6.5873 -6.5868 -3.9424 -3.9407 -3.8066 -3.7988 -3.7721 -3.7714 -3.4044 -3.3986 -1.2810 -1.2708 -1.0806 -1.0781 -1.0160 -1.0138 -0.5666 -0.5561 -0.2424 -0.2421 -0.0627 -0.0497 0.0125 0.0260 0.6422 0.6468 0.6976 0.7017 1.2802 1.2865 1.3491 1.3576 1.4740 1.4748 7.8188 7.8188 10.5617 10.5729 10.7576 10.7714 11.0217 11.0308 11.1833 11.1919 k = 0.1944 0.1123-0.0000 ( 4608 PWs) bands (ev): -17.5363 -17.5363 -16.3355 -16.3347 -16.1921 -16.1905 -15.6177 -15.6151 -15.5744 -15.5730 -15.5693 -15.5677 -6.8588 -6.8570 -6.5544 -6.5538 -3.9420 -3.9403 -3.8117 -3.8034 -3.7953 -3.7938 -3.3810 -3.3753 -1.2947 -1.2845 -1.0783 -1.0755 -1.0032 -1.0008 -0.5449 -0.5345 -0.2771 -0.2769 -0.0736 -0.0605 0.0117 0.0254 0.6307 0.6353 0.6931 0.6973 1.2519 1.2577 1.3559 1.3645 1.4896 1.4900 7.8846 7.8847 10.5534 10.5644 10.7789 10.7928 11.0407 11.0495 11.2196 11.2280 k = 0.2083 0.1203-0.0000 ( 4606 PWs) bands (ev): -17.5224 -17.5223 -16.3544 -16.3536 -16.1911 -16.1894 -15.6172 -15.6145 -15.5759 -15.5744 -15.5707 -15.5690 -6.8649 -6.8630 -6.5198 -6.5192 -3.9419 -3.9403 -3.8226 -3.8199 -3.8110 -3.8071 -3.3572 -3.3517 -1.3074 -1.2972 -1.0763 -1.0733 -0.9895 -0.9869 -0.5243 -0.5141 -0.3123 -0.3119 -0.0853 -0.0721 0.0110 0.0248 0.6198 0.6242 0.6895 0.6936 1.2208 1.2264 1.3623 1.3709 1.5062 1.5062 7.9538 7.9539 10.5457 10.5566 10.8024 10.8162 11.0605 11.0689 11.2567 11.2647 k = 0.2222 0.1283-0.0000 ( 4598 PWs) bands (ev): -17.5076 -17.5075 -16.3741 -16.3734 -16.1900 -16.1882 -15.6167 -15.6139 -15.5774 -15.5759 -15.5721 -15.5703 -6.8710 -6.8691 -6.4837 -6.4831 -3.9421 -3.9407 -3.8463 -3.8456 -3.8157 -3.8104 -3.3331 -3.3279 -1.3191 -1.3088 -1.0750 -1.0716 -0.9749 -0.9721 -0.5053 -0.4956 -0.3470 -0.3464 -0.0976 -0.0845 0.0105 0.0244 0.6094 0.6137 0.6868 0.6908 1.1877 1.1931 1.3681 1.3767 1.5229 1.5231 8.0261 8.0261 10.5388 10.5494 10.8279 10.8416 11.0809 11.0889 11.2943 11.3019 k = 0.2361 0.1363-0.0000 ( 4606 PWs) bands (ev): -17.4920 -17.4920 -16.3948 -16.3940 -16.1889 -16.1871 -15.6161 -15.6133 -15.5789 -15.5773 -15.5734 -15.5716 -6.8773 -6.8753 -6.4463 -6.4457 -3.9426 -3.9414 -3.8727 -3.8723 -3.8183 -3.8129 -3.3089 -3.3039 -1.3296 -1.3193 -1.0743 -1.0705 -0.9595 -0.9565 -0.4892 -0.4807 -0.3798 -0.3783 -0.1107 -0.0975 0.0102 0.0242 0.5997 0.6037 0.6849 0.6889 1.1530 1.1583 1.3733 1.3818 1.5398 1.5401 8.1012 8.1012 10.5325 10.5429 10.8553 10.8689 11.1017 11.1093 11.3323 11.3395 k = 0.2500 0.1443-0.0000 ( 4596 PWs) bands (ev): -17.4757 -17.4757 -16.4162 -16.4154 -16.1877 -16.1860 -15.6156 -15.6127 -15.5804 -15.5787 -15.5748 -15.5730 -6.8835 -6.8815 -6.4077 -6.4071 -3.9434 -3.9424 -3.9002 -3.9000 -3.8200 -3.8149 -3.2847 -3.2799 -1.3390 -1.3287 -1.0744 -1.0702 -0.9433 -0.9401 -0.4802 -0.4746 -0.4062 -0.4022 -0.1244 -0.1113 0.0101 0.0241 0.5906 0.5945 0.6841 0.6879 1.1172 1.1224 1.3778 1.3863 1.5565 1.5569 8.1787 8.1788 10.5268 10.5368 10.8845 10.8978 11.1227 11.1298 11.3704 11.3771 k = 0.2639 0.1524-0.0000 ( 4600 PWs) bands (ev): -17.4588 -17.4587 -16.4383 -16.4375 -16.1866 -16.1848 -15.6150 -15.6121 -15.5818 -15.5800 -15.5762 -15.5743 -6.8896 -6.8877 -6.3683 -6.3677 -3.9446 -3.9437 -3.9285 -3.9285 -3.8212 -3.8164 -3.2606 -3.2561 -1.3472 -1.3369 -1.0755 -1.0709 -0.9264 -0.9229 -0.4880 -0.4866 -0.4162 -0.4084 -0.1387 -0.1257 0.0103 0.0243 0.5823 0.5859 0.6842 0.6879 1.0804 1.0856 1.3816 1.3900 1.5728 1.5733 8.2585 8.2585 10.5214 10.5311 10.9151 10.9281 11.1438 11.1504 11.4084 11.4146 k = 0.2778 0.1604-0.0000 ( 4598 PWs) bands (ev): -17.4412 -17.4412 -16.4609 -16.4602 -16.1855 -16.1837 -15.6144 -15.6115 -15.5832 -15.5814 -15.5775 -15.5757 -6.8957 -6.8938 -6.3282 -6.3276 -3.9579 -3.9578 -3.9457 -3.9449 -3.8219 -3.8175 -3.2368 -3.2325 -1.3541 -1.3440 -1.0776 -1.0726 -0.9087 -0.9050 -0.5126 -0.5120 -0.4100 -0.4007 -0.1536 -0.1408 0.0107 0.0247 0.5747 0.5780 0.6852 0.6888 1.0431 1.0483 1.3848 1.3930 1.5887 1.5892 8.3401 8.3401 10.5161 10.5254 10.9471 10.9596 11.1647 11.1707 11.4461 11.4518 k = 0.2917 0.1684-0.0000 ( 4598 PWs) bands (ev): -17.4232 -17.4231 -16.4841 -16.4834 -16.1843 -16.1826 -15.6138 -15.6109 -15.5845 -15.5827 -15.5789 -15.5771 -6.9016 -6.8998 -6.2877 -6.2870 -3.9874 -3.9874 -3.9472 -3.9467 -3.8222 -3.8182 -3.2133 -3.2092 -1.3599 -1.3498 -1.0811 -1.0756 -0.8904 -0.8865 -0.5426 -0.5414 -0.3982 -0.3887 -0.1691 -0.1564 0.0115 0.0253 0.5679 0.5709 0.6871 0.6905 1.0055 1.0106 1.3873 1.3953 1.6040 1.6045 8.4232 8.4232 10.5104 10.5194 10.9799 10.9921 11.1853 11.1906 11.4834 11.4884 k = 0.3056 0.1764-0.0000 ( 4594 PWs) bands (ev): -17.4046 -17.4045 -16.5076 -16.5070 -16.1832 -16.1815 -15.6132 -15.6104 -15.5858 -15.5839 -15.5802 -15.5784 -6.9074 -6.9056 -6.2470 -6.2464 -4.0174 -4.0173 -3.9488 -3.9484 -3.8223 -3.8186 -3.1903 -3.1865 -1.3644 -1.3543 -1.0859 -1.0800 -0.8714 -0.8673 -0.5729 -0.5714 -0.3851 -0.3759 -0.1850 -0.1725 0.0126 0.0263 0.5619 0.5645 0.6897 0.6930 0.9679 0.9729 1.3891 1.3969 1.6186 1.6191 8.5075 8.5075 10.5041 10.5126 11.0135 11.0251 11.2052 11.2098 11.5199 11.5244 k = 0.3194 0.1844-0.0000 ( 4586 PWs) bands (ev): -17.3857 -17.3856 -16.5313 -16.5307 -16.1821 -16.1805 -15.6127 -15.6098 -15.5870 -15.5851 -15.5814 -15.5797 -6.9129 -6.9112 -6.2065 -6.2059 -4.0474 -4.0474 -3.9504 -3.9502 -3.8221 -3.8188 -3.1680 -3.1645 -1.3676 -1.3576 -1.0923 -1.0859 -0.8520 -0.8477 -0.6020 -0.6003 -0.3722 -0.3634 -0.2013 -0.1890 0.0141 0.0275 0.5566 0.5589 0.6930 0.6962 0.9305 0.9355 1.3904 1.3979 1.6324 1.6329 8.5925 8.5926 10.4966 10.5046 11.0474 11.0584 11.2244 11.2280 11.5556 11.5594 k = 0.3333 0.1925-0.0000 ( 4578 PWs) bands (ev): -17.3665 -17.3664 -16.5552 -16.5546 -16.1811 -16.1795 -15.6121 -15.6093 -15.5881 -15.5863 -15.5826 -15.5809 -6.9182 -6.9166 -6.1664 -6.1658 -4.0774 -4.0773 -3.9521 -3.9520 -3.8218 -3.8188 -3.1465 -3.1433 -1.3695 -1.3596 -1.1001 -1.0934 -0.8322 -0.8277 -0.6293 -0.6274 -0.3598 -0.3515 -0.2180 -0.2059 0.0159 0.0290 0.5521 0.5541 0.6969 0.6999 0.8936 0.8985 1.3911 1.3983 1.6455 1.6459 8.6780 8.6780 10.4873 10.4947 11.0813 11.0916 11.2425 11.2451 11.5901 11.5933 k = 0.3472 0.2005-0.0000 ( 4570 PWs) bands (ev): -17.3471 -17.3470 -16.5789 -16.5783 -16.1800 -16.1785 -15.6115 -15.6088 -15.5892 -15.5874 -15.5837 -15.5821 -6.9232 -6.9217 -6.1272 -6.1266 -4.1069 -4.1068 -3.9537 -3.9537 -3.8213 -3.8187 -3.1261 -3.1231 -1.3702 -1.3603 -1.1096 -1.1024 -0.8121 -0.8074 -0.6543 -0.6524 -0.3483 -0.3405 -0.2349 -0.2231 0.0180 0.0308 0.5484 0.5501 0.7012 0.7041 0.8575 0.8623 1.3914 1.3982 1.6576 1.6581 8.7633 8.7634 10.4757 10.4825 11.1147 11.1243 11.2594 11.2608 11.6233 11.6256 k = 0.3611 0.2085-0.0000 ( 4566 PWs) bands (ev): -17.3278 -17.3277 -16.6024 -16.6018 -16.1791 -16.1777 -15.6110 -15.6084 -15.5902 -15.5884 -15.5847 -15.5833 -6.9279 -6.9265 -6.0892 -6.0887 -4.1357 -4.1356 -3.9553 -3.9553 -3.8209 -3.8185 -3.1067 -3.1040 -1.3696 -1.3598 -1.1206 -1.1131 -0.7919 -0.7870 -0.6768 -0.6748 -0.3376 -0.3304 -0.2519 -0.2405 0.0206 0.0328 0.5455 0.5468 0.7058 0.7085 0.8225 0.8271 1.3912 1.3976 1.6689 1.6693 8.8481 8.8481 10.4612 10.4674 11.1472 11.1561 11.2751 11.2751 11.6003 11.6081 k = 0.3750 0.2165-0.0000 ( 4564 PWs) bands (ev): -17.3087 -17.3086 -16.6253 -16.6249 -16.1782 -16.1768 -15.6104 -15.6079 -15.5910 -15.5893 -15.5857 -15.5844 -6.9322 -6.9309 -6.0528 -6.0523 -4.1636 -4.1635 -3.9569 -3.9568 -3.8204 -3.8183 -3.0886 -3.0862 -1.3677 -1.3580 -1.1330 -1.1252 -0.7717 -0.7666 -0.6966 -0.6947 -0.3278 -0.3212 -0.2689 -0.2580 0.0234 0.0350 0.5435 0.5445 0.7105 0.7131 0.7888 0.7932 1.3907 1.3967 1.6792 1.6795 8.9316 8.9317 10.4434 10.4490 11.1785 11.1866 11.2881 11.2895 11.5668 11.5754 k = 0.3889 0.2245-0.0000 ( 4564 PWs) bands (ev): -17.2899 -17.2898 -16.6476 -16.6472 -16.1773 -16.1761 -15.6099 -15.6076 -15.5918 -15.5902 -15.5866 -15.5854 -6.9361 -6.9350 -6.0185 -6.0180 -4.1900 -4.1899 -3.9583 -3.9582 -3.8199 -3.8181 -3.0720 -3.0698 -1.3645 -1.3550 -1.1466 -1.1386 -0.7520 -0.7466 -0.7136 -0.7120 -0.3190 -0.3130 -0.2857 -0.2754 0.0265 0.0374 0.5423 0.5430 0.7152 0.7177 0.7569 0.7609 1.3900 1.3955 1.6884 1.6888 9.0132 9.0133 10.4221 10.4270 11.2080 11.2153 11.2998 11.3028 11.5376 11.5471 k = 0.4028 0.2325-0.0000 ( 4562 PWs) bands (ev): -17.2719 -17.2718 -16.6688 -16.6684 -16.1765 -16.1755 -15.6094 -15.6073 -15.5925 -15.5910 -15.5873 -15.5863 -6.9397 -6.9386 -5.9866 -5.9861 -4.2148 -4.2147 -3.9596 -3.9594 -3.8194 -3.8178 -3.0569 -3.0550 -1.3601 -1.3508 -1.1611 -1.1529 -0.7351 -0.7288 -0.7255 -0.7249 -0.3112 -0.3058 -0.3021 -0.2925 0.0297 0.0397 0.5421 0.5426 0.7190 0.7221 0.7276 0.7304 1.3892 1.3941 1.6967 1.6970 9.0920 9.0921 10.3974 10.4017 11.2354 11.2418 11.3106 11.3153 11.5125 11.5229 k = 0.4167 0.2406-0.0000 ( 4562 PWs) bands (ev): -17.2549 -17.2548 -16.6886 -16.6883 -16.1758 -16.1749 -15.6089 -15.6070 -15.5931 -15.5918 -15.5880 -15.5871 -6.9427 -6.9418 -5.9576 -5.9572 -4.2374 -4.2373 -3.9607 -3.9605 -3.8189 -3.8176 -3.0435 -3.0419 -1.3546 -1.3455 -1.1761 -1.1679 -0.7417 -0.7394 -0.7123 -0.7080 -0.3182 -0.3091 -0.3041 -0.2996 0.0331 0.0421 0.5430 0.5432 0.6981 0.7019 0.7248 0.7263 1.3883 1.3926 1.7039 1.7042 9.1669 9.1670 10.3699 10.3735 11.2602 11.2657 11.3210 11.3272 11.4910 11.5021 k = 0.4306 0.2486-0.0000 ( 4560 PWs) bands (ev): -17.2392 -17.2391 -16.7067 -16.7064 -16.1752 -16.1744 -15.6085 -15.6068 -15.5936 -15.5924 -15.5886 -15.5878 -6.9454 -6.9446 -5.9321 -5.9318 -4.2574 -4.2573 -3.9617 -3.9615 -3.8185 -3.8175 -3.0320 -3.0307 -1.3480 -1.3393 -1.1912 -1.1831 -0.7513 -0.7495 -0.6949 -0.6906 -0.3330 -0.3248 -0.2982 -0.2944 0.0364 0.0442 0.5450 0.5450 0.6726 0.6757 0.7286 0.7300 1.3874 1.3911 1.7100 1.7103 9.2365 9.2366 10.3405 10.3434 11.2820 11.2866 11.3315 11.3391 11.4724 11.4841 k = 0.4444 0.2566-0.0000 ( 4552 PWs) bands (ev): -17.2254 -17.2253 -16.7225 -16.7222 -16.1747 -16.1740 -15.6081 -15.6067 -15.5940 -15.5930 -15.5891 -15.5884 -6.9475 -6.9469 -5.9105 -5.9102 -4.2745 -4.2744 -3.9625 -3.9623 -3.8182 -3.8173 -3.0224 -3.0213 -1.3406 -1.3324 -1.2057 -1.1980 -0.7590 -0.7576 -0.6790 -0.6750 -0.3462 -0.3392 -0.2933 -0.2902 0.0396 0.0461 0.5482 0.5482 0.6495 0.6521 0.7320 0.7332 1.3867 1.3896 1.7151 1.7153 9.2990 9.2991 10.3109 10.3132 11.3005 11.3041 11.3422 11.3510 11.4559 11.4680 k = 0.4583 0.2646-0.0000 ( 4548 PWs) bands (ev): -17.2139 -17.2139 -16.7355 -16.7353 -16.1742 -16.1738 -15.6077 -15.6066 -15.5942 -15.5934 -15.5894 -15.5889 -6.9492 -6.9487 -5.8931 -5.8929 -4.2882 -4.2881 -3.9631 -3.9630 -3.8179 -3.8172 -3.0147 -3.0139 -1.3327 -1.3253 -1.2191 -1.2121 -0.7648 -0.7637 -0.6652 -0.6619 -0.3574 -0.3518 -0.2893 -0.2870 0.0425 0.0475 0.5528 0.5528 0.6291 0.6312 0.7349 0.7358 1.3861 1.3883 1.7190 1.7192 9.3522 9.3523 10.2833 10.2850 11.3153 11.3180 11.3536 11.3632 11.4411 11.4532 k = 0.4722 0.2726-0.0000 ( 4546 PWs) bands (ev): -17.2053 -17.2052 -16.7453 -16.7452 -16.1739 -16.1736 -15.6074 -15.6067 -15.5944 -15.5938 -15.5896 -15.5893 -6.9504 -6.9501 -5.8804 -5.8803 -4.2983 -4.2982 -3.9635 -3.9634 -3.8176 -3.8172 -3.0092 -3.0087 -1.3248 -1.3189 -1.2302 -1.2245 -0.7688 -0.7681 -0.6544 -0.6519 -0.3658 -0.3619 -0.2864 -0.2849 0.0449 0.0483 0.5587 0.5588 0.6117 0.6132 0.7370 0.7376 1.3858 1.3873 1.7219 1.7220 9.3933 9.3934 10.2604 10.2616 11.3262 11.3280 11.3653 11.3750 11.4278 11.4392 k = 0.4861 0.2807-0.0000 ( 4544 PWs) bands (ev): -17.1998 -17.1998 -16.7514 -16.7513 -16.1737 -16.1735 -15.6071 -15.6067 -15.5944 -15.5941 -15.5897 -15.5896 -6.9511 -6.9509 -5.8727 -5.8726 -4.3044 -4.3044 -3.9638 -3.9637 -3.8174 -3.8172 -3.0058 -3.0055 -1.3181 -1.3147 -1.2373 -1.2339 -0.7711 -0.7707 -0.6472 -0.6459 -0.3708 -0.3687 -0.2845 -0.2837 0.0468 0.0485 0.5655 0.5657 0.5980 0.5990 0.7384 0.7387 1.3857 1.3864 1.7236 1.7236 9.4195 9.4196 10.2452 10.2458 11.3330 11.3339 11.3767 11.3847 11.4177 11.4265 k = 0.5000 0.2887-0.0000 ( 4556 PWs) bands (ev): -17.1980 -17.1980 -16.7534 -16.7534 -16.1735 -16.1735 -15.6069 -15.6069 -15.5943 -15.5943 -15.5897 -15.5897 -6.9512 -6.9512 -5.8701 -5.8701 -4.3065 -4.3065 -3.9638 -3.9638 -3.8173 -3.8173 -3.0046 -3.0046 -1.3143 -1.3143 -1.2386 -1.2386 -0.7717 -0.7717 -0.6443 -0.6443 -0.3718 -0.3718 -0.2836 -0.2836 0.0480 0.0480 0.5698 0.5698 0.5919 0.5919 0.7389 0.7389 1.3859 1.3859 1.7242 1.7242 9.4286 9.4286 10.2400 10.2400 11.3356 11.3356 11.3854 11.3854 11.4170 11.4170 k = 0.5000 0.2887-0.0000 ( 4556 PWs) bands (ev): -17.1980 -17.1980 -16.7534 -16.7534 -16.1735 -16.1735 -15.6069 -15.6069 -15.5943 -15.5943 -15.5897 -15.5897 -6.9512 -6.9512 -5.8701 -5.8701 -4.3065 -4.3065 -3.9638 -3.9638 -3.8173 -3.8173 -3.0046 -3.0046 -1.3143 -1.3143 -1.2386 -1.2386 -0.7717 -0.7717 -0.6443 -0.6443 -0.3718 -0.3718 -0.2836 -0.2836 0.0480 0.0480 0.5698 0.5698 0.5919 0.5919 0.7389 0.7389 1.3859 1.3859 1.7242 1.7242 9.4286 9.4286 10.2400 10.2400 11.3356 11.3356 11.3854 11.3854 11.4170 11.4170 k = 0.4921 0.3024-0.0000 ( 4552 PWs) bands (ev): -17.1975 -17.1974 -16.7539 -16.7538 -16.1738 -16.1736 -15.6069 -15.6068 -15.5943 -15.5942 -15.5898 -15.5897 -6.9518 -6.9516 -5.8681 -5.8678 -4.3111 -4.3107 -3.9613 -3.9610 -3.8173 -3.8171 -3.0042 -3.0042 -1.3143 -1.3137 -1.2387 -1.2383 -0.7750 -0.7733 -0.6424 -0.6406 -0.3725 -0.3722 -0.2837 -0.2834 0.0483 0.0490 0.5630 0.5634 0.5908 0.5912 0.7450 0.7454 1.3855 1.3864 1.7234 1.7241 9.4306 9.4308 10.2408 10.2410 11.3249 11.3257 11.3829 11.3840 11.4261 11.4262 k = 0.4841 0.3162-0.0000 ( 4558 PWs) bands (ev): -17.1959 -17.1958 -16.7555 -16.7553 -16.1744 -16.1741 -15.6070 -15.6068 -15.5942 -15.5941 -15.5898 -15.5896 -6.9532 -6.9529 -5.8620 -5.8614 -4.3241 -4.3235 -3.9539 -3.9534 -3.8172 -3.8168 -3.0031 -3.0029 -1.3137 -1.3125 -1.2383 -1.2375 -0.7825 -0.7795 -0.6353 -0.6321 -0.3741 -0.3735 -0.2838 -0.2831 0.0499 0.0514 0.5454 0.5460 0.5877 0.5886 0.7613 0.7621 1.3852 1.3869 1.7218 1.7232 9.4370 9.4374 10.2432 10.2435 11.3019 11.3029 11.3759 11.3776 11.4467 11.4469 k = 0.4762 0.3299-0.0000 ( 4556 PWs) bands (ev): -17.1932 -17.1931 -16.7580 -16.7577 -16.1754 -16.1750 -15.6069 -15.6067 -15.5940 -15.5939 -15.5898 -15.5896 -6.9555 -6.9550 -5.8517 -5.8509 -4.3445 -4.3436 -3.9427 -3.9420 -3.8169 -3.8163 -3.0012 -3.0010 -1.3125 -1.3107 -1.2377 -1.2365 -0.7929 -0.7891 -0.6242 -0.6201 -0.3767 -0.3759 -0.2838 -0.2829 0.0528 0.0550 0.5212 0.5218 0.5828 0.5841 0.7839 0.7850 1.3849 1.3874 1.7194 1.7215 9.4477 9.4482 10.2473 10.2477 11.2740 11.2751 11.3647 11.3668 11.4714 11.4716 k = 0.4683 0.3437-0.0000 ( 4556 PWs) bands (ev): -17.1894 -17.1893 -16.7615 -16.7611 -16.1767 -16.1761 -15.6069 -15.6065 -15.5938 -15.5937 -15.5898 -15.5895 -6.9586 -6.9579 -5.8375 -5.8364 -4.3708 -4.3697 -3.9290 -3.9281 -3.8164 -3.8157 -2.9986 -2.9983 -1.3108 -1.3084 -1.2367 -1.2351 -0.8051 -0.8007 -0.6102 -0.6055 -0.3801 -0.3791 -0.2837 -0.2826 0.0570 0.0599 0.4931 0.4937 0.5761 0.5778 0.8098 0.8110 1.3846 1.3878 1.7163 1.7191 9.4625 9.4632 10.2529 10.2535 11.2438 11.2450 11.3506 11.3532 11.4973 11.4975 k = 0.4603 0.3574-0.0000 ( 4556 PWs) bands (ev): -17.1846 -17.1845 -16.7660 -16.7655 -16.1783 -16.1776 -15.6068 -15.6064 -15.5935 -15.5934 -15.5897 -15.5895 -6.9623 -6.9615 -5.8194 -5.8180 -4.4019 -4.4006 -3.9139 -3.9129 -3.8159 -3.8149 -2.9952 -2.9948 -1.3086 -1.3055 -1.2355 -1.2335 -0.8181 -0.8136 -0.5943 -0.5893 -0.3843 -0.3832 -0.2837 -0.2824 0.0624 0.0660 0.4629 0.4635 0.5677 0.5698 0.8373 0.8386 1.3842 1.3881 1.7126 1.7159 9.4815 9.4823 10.2600 10.2608 11.2120 11.2133 11.3349 11.3377 11.5234 11.5235 k = 0.4524 0.3712-0.0000 ( 4570 PWs) bands (ev): -17.1788 -17.1786 -16.7715 -16.7710 -16.1801 -16.1793 -15.6067 -15.6062 -15.5932 -15.5931 -15.5897 -15.5894 -6.9666 -6.9657 -5.7975 -5.7959 -4.4368 -4.4354 -3.8985 -3.8974 -3.8151 -3.8140 -2.9912 -2.9908 -1.3059 -1.3023 -1.2341 -1.2317 -0.8316 -0.8269 -0.5769 -0.5718 -0.3891 -0.3880 -0.2837 -0.2822 0.0689 0.0731 0.4315 0.4320 0.5577 0.5601 0.8656 0.8669 1.3834 1.3880 1.7083 1.7122 9.5045 9.5055 10.2684 10.2693 11.1789 11.1802 11.3183 11.3214 11.5494 11.5495 k = 0.4444 0.3849-0.0000 ( 4570 PWs) bands (ev): -17.1718 -17.1716 -16.7781 -16.7775 -16.1821 -16.1812 -15.6066 -15.6060 -15.5928 -15.5928 -15.5895 -15.5893 -6.9712 -6.9703 -5.7722 -5.7704 -4.4748 -4.4732 -3.8833 -3.8821 -3.8142 -3.8129 -2.9866 -2.9861 -1.3028 -1.2986 -1.2325 -1.2298 -0.8450 -0.8404 -0.5584 -0.5533 -0.3945 -0.3933 -0.2837 -0.2822 0.0765 0.0813 0.3994 0.3998 0.5461 0.5489 0.8941 0.8955 1.3823 1.3874 1.7037 1.7081 9.5314 9.5325 10.2781 10.2791 11.1446 11.1459 11.3018 11.3051 11.5750 11.5751 k = 0.4365 0.3986-0.0000 ( 4574 PWs) bands (ev): -17.1639 -17.1636 -16.7857 -16.7850 -16.1842 -16.1833 -15.6065 -15.6058 -15.5925 -15.5925 -15.5894 -15.5892 -6.9762 -6.9752 -5.7435 -5.7415 -4.5152 -4.5136 -3.8689 -3.8676 -3.8132 -3.8117 -2.9814 -2.9808 -1.2994 -1.2947 -1.2309 -1.2277 -0.8582 -0.8537 -0.5389 -0.5340 -0.4004 -0.3992 -0.2838 -0.2823 0.0849 0.0903 0.3670 0.3673 0.5331 0.5363 0.9226 0.9240 1.3806 1.3862 1.6988 1.7036 9.5621 9.5633 10.2887 10.2899 11.1091 11.1105 11.2860 11.2894 11.6001 11.6003 k = 0.4286 0.4124-0.0000 ( 4580 PWs) bands (ev): -17.1549 -17.1546 -16.7943 -16.7936 -16.1864 -16.1854 -15.6064 -15.6056 -15.5923 -15.5922 -15.5892 -15.5890 -6.9813 -6.9802 -5.7116 -5.7095 -4.5578 -4.5560 -3.8556 -3.8542 -3.8121 -3.8104 -2.9757 -2.9752 -1.2957 -1.2905 -1.2292 -1.2257 -0.8709 -0.8666 -0.5186 -0.5139 -0.4065 -0.4053 -0.2840 -0.2825 0.0939 0.0999 0.3348 0.3349 0.5189 0.5224 0.9509 0.9524 1.3782 1.3840 1.6939 1.6989 9.5963 9.5976 10.3000 10.3013 11.0725 11.0739 11.2712 11.2748 11.6246 11.6249 k = 0.4206 0.4261-0.0000 ( 4572 PWs) bands (ev): -17.1449 -17.1446 -16.8040 -16.8032 -16.1886 -16.1876 -15.6062 -15.6054 -15.5921 -15.5919 -15.5890 -15.5889 -6.9864 -6.9854 -5.6769 -5.6746 -4.6021 -4.6003 -3.8436 -3.8421 -3.8109 -3.8090 -2.9697 -2.9692 -1.2919 -1.2862 -1.2277 -1.2238 -0.8830 -0.8790 -0.4976 -0.4931 -0.4128 -0.4117 -0.2843 -0.2829 0.1033 0.1098 0.3031 0.3031 0.5035 0.5074 0.9789 0.9803 1.3749 1.3809 1.6891 1.6943 9.6338 9.6352 10.3116 10.3131 11.0348 11.0362 11.2579 11.2615 11.6484 11.6489 k = 0.4127 0.4399-0.0000 ( 4580 PWs) bands (ev): -17.1339 -17.1336 -16.8147 -16.8139 -16.1907 -16.1897 -15.6060 -15.6052 -15.5919 -15.5916 -15.5887 -15.5887 -6.9914 -6.9904 -5.6394 -5.6371 -4.6480 -4.6461 -3.8330 -3.8313 -3.8095 -3.8075 -2.9635 -2.9629 -1.2879 -1.2817 -1.2263 -1.2221 -0.8943 -0.8906 -0.4760 -0.4717 -0.4191 -0.4181 -0.2847 -0.2834 0.1123 0.1193 0.2727 0.2728 0.4871 0.4914 1.0063 1.0078 1.3704 1.3765 1.6846 1.6897 9.6745 9.6760 10.3232 10.3249 10.9961 10.9975 11.2462 11.2498 11.6715 11.6721 k = 0.4048 0.4536-0.0000 ( 4584 PWs) bands (ev): -17.1220 -17.1216 -16.8264 -16.8256 -16.1927 -16.1918 -15.6058 -15.6050 -15.5918 -15.5914 -15.5885 -15.5885 -6.9962 -6.9952 -5.5995 -5.5971 -4.6952 -4.6932 -3.8238 -3.8220 -3.8080 -3.8059 -2.9572 -2.9566 -1.2838 -1.2773 -1.2253 -1.2207 -0.9048 -0.9014 -0.4541 -0.4499 -0.4252 -0.4241 -0.2852 -0.2839 0.1197 0.1270 0.2451 0.2452 0.4698 0.4745 1.0333 1.0348 1.3647 1.3707 1.6804 1.6855 9.7181 9.7197 10.3340 10.3359 10.9567 10.9581 11.2362 11.2399 11.6938 11.6945 k = 0.3968 0.4674-0.0000 ( 4580 PWs) bands (ev): -17.1090 -17.1086 -16.8392 -16.8384 -16.1946 -16.1937 -15.6057 -15.6049 -15.5917 -15.5912 -15.5883 -15.5883 -7.0008 -6.9998 -5.5572 -5.5548 -4.7436 -4.7415 -3.8162 -3.8142 -3.8064 -3.8042 -2.9509 -2.9503 -1.2797 -1.2728 -1.2246 -1.2197 -0.9143 -0.9112 -0.4359 -0.4336 -0.4257 -0.4251 -0.2857 -0.2846 0.1227 0.1297 0.2232 0.2236 0.4518 0.4569 1.0597 1.0612 1.3576 1.3633 1.6768 1.6816 9.7644 9.7660 10.3434 10.3454 10.9172 10.9186 11.2282 11.2317 11.7153 11.7161 k = 0.3889 0.4811-0.0000 ( 4584 PWs) bands (ev): -17.0952 -17.0948 -16.8530 -16.8522 -16.1964 -16.1955 -15.6055 -15.6047 -15.5916 -15.5911 -15.5881 -15.5881 -7.0049 -7.0041 -5.5128 -5.5104 -4.7930 -4.7909 -3.8102 -3.8080 -3.8045 -3.8022 -2.9448 -2.9442 -1.2756 -1.2683 -1.2244 -1.2192 -0.9228 -0.9201 -0.4381 -0.4380 -0.4063 -0.4037 -0.2863 -0.2852 0.1170 0.1227 0.2114 0.2134 0.4333 0.4387 1.0855 1.0869 1.3490 1.3544 1.6738 1.6783 9.8130 9.8146 10.3501 10.3522 10.8782 10.8796 11.2219 11.2254 11.7359 11.7369 k = 0.3810 0.4949-0.0000 ( 4584 PWs) bands (ev): -17.0804 -17.0800 -16.8677 -16.8669 -16.1979 -16.1971 -15.6053 -15.6045 -15.5915 -15.5910 -15.5880 -15.5880 -7.0086 -7.0079 -5.4666 -5.4641 -4.8433 -4.8412 -3.8062 -3.8036 -3.8020 -3.7997 -2.9390 -2.9385 -1.2715 -1.2639 -1.2247 -1.2192 -0.9302 -0.9279 -0.4432 -0.4432 -0.3835 -0.3810 -0.2869 -0.2859 0.1012 0.1052 0.2114 0.2153 0.4143 0.4200 1.1105 1.1120 1.3388 1.3437 1.6715 1.6754 9.8637 9.8653 10.3529 10.3551 10.8410 10.8424 11.2175 11.2207 11.7556 11.7567 k = 0.3730 0.5086-0.0000 ( 4590 PWs) bands (ev): -17.0648 -17.0643 -16.8834 -16.8826 -16.1992 -16.1985 -15.6051 -15.6044 -15.5914 -15.5909 -15.5879 -15.5878 -7.0119 -7.0112 -5.4186 -5.4161 -4.8944 -4.8923 -3.8037 -3.8009 -3.7991 -3.7968 -2.9337 -2.9333 -1.2674 -1.2595 -1.2257 -1.2200 -0.9365 -0.9346 -0.4479 -0.4479 -0.3609 -0.3586 -0.2874 -0.2866 0.0795 0.0823 0.2194 0.2247 0.3951 0.4011 1.1349 1.1363 1.3271 1.3314 1.6698 1.6731 9.9161 9.9178 10.3497 10.3520 10.8070 10.8083 11.2146 11.2176 11.7746 11.7757 k = 0.3651 0.5224-0.0000 ( 4586 PWs) bands (ev): -17.0483 -17.0478 -16.9000 -16.8992 -16.2002 -16.1996 -15.6049 -15.6043 -15.5912 -15.5909 -15.5879 -15.5877 -7.0145 -7.0140 -5.3691 -5.3666 -4.9463 -4.9441 -3.8020 -3.7990 -3.7967 -3.7943 -2.9290 -2.9287 -1.2632 -1.2551 -1.2274 -1.2214 -0.9416 -0.9401 -0.4520 -0.4520 -0.3392 -0.3372 -0.2878 -0.2871 0.0565 0.0584 0.2316 0.2379 0.3756 0.3819 1.1585 1.1599 1.3137 1.3174 1.6687 1.6714 9.9700 9.9717 10.3387 10.3409 10.7780 10.7792 11.2132 11.2158 11.7927 11.7939 k = 0.3571 0.5361-0.0000 ( 4590 PWs) bands (ev): -17.0309 -17.0304 -16.9174 -16.9167 -16.2010 -16.2005 -15.6047 -15.6042 -15.5911 -15.5908 -15.5880 -15.5877 -7.0166 -7.0162 -5.3183 -5.3158 -4.9988 -4.9966 -3.8005 -3.7974 -3.7951 -3.7925 -2.9252 -2.9249 -1.2590 -1.2506 -1.2298 -1.2236 -0.9456 -0.9445 -0.4553 -0.4552 -0.3196 -0.3179 -0.2881 -0.2875 0.0349 0.0363 0.2462 0.2531 0.3562 0.3628 1.1813 1.1826 1.2989 1.3019 1.6681 1.6701 10.0249 10.0266 10.3180 10.3201 10.7557 10.7566 11.2128 11.2150 11.8100 11.8113 k = 0.3492 0.5499-0.0000 ( 4582 PWs) bands (ev): -17.0128 -17.0122 -16.9356 -16.9350 -16.2015 -16.2012 -15.6045 -15.6042 -15.5910 -15.5908 -15.5880 -15.5877 -7.0181 -7.0178 -5.2663 -5.2639 -5.0518 -5.0496 -3.7992 -3.7960 -3.7943 -3.7916 -2.9223 -2.9221 -1.2549 -1.2461 -1.2328 -1.2266 -0.9484 -0.9476 -0.4577 -0.4576 -0.3037 -0.3022 -0.2881 -0.2876 0.0170 0.0180 0.2622 0.2696 0.3368 0.3437 1.2033 1.2044 1.2826 1.2850 1.6679 1.6692 10.0806 10.0823 10.2865 10.2885 10.7407 10.7413 11.2132 11.2148 11.8266 11.8278 k = 0.3413 0.5636-0.0000 ( 4580 PWs) bands (ev): -16.9939 -16.9933 -16.9546 -16.9540 -16.2018 -16.2016 -15.6044 -15.6042 -15.5909 -15.5908 -15.5881 -15.5877 -7.0190 -7.0188 -5.2133 -5.2109 -5.1053 -5.1031 -3.7983 -3.7949 -3.7941 -3.7913 -2.9204 -2.9203 -1.2510 -1.2415 -1.2362 -1.2303 -0.9500 -0.9496 -0.4592 -0.4591 -0.2937 -0.2925 -0.2872 -0.2869 0.0051 0.0056 0.2790 0.2872 0.3179 0.3247 1.2242 1.2251 1.2652 1.2671 1.6680 1.6687 10.1367 10.1384 10.2445 10.2462 10.7328 10.7331 11.2140 11.2148 11.8428 11.8756 k = 0.3333 0.5774-0.0000 ( 4596 PWs) bands (ev): -16.9750 -16.9737 -16.9736 -16.9736 -16.2018 -16.2018 -15.6043 -15.6043 -15.5908 -15.5908 -15.5881 -15.5877 -7.0192 -7.0192 -5.1632 -5.1587 -5.1556 -5.1556 -3.7979 -3.7943 -3.7943 -3.7914 -2.9197 -2.9197 -1.2489 -1.2382 -1.2382 -1.2331 -0.9504 -0.9504 -0.4597 -0.4597 -0.2912 -0.2900 -0.2857 -0.2857 0.0010 0.0010 0.2926 0.3035 0.3035 0.3082 1.2399 1.2399 1.2509 1.2530 1.6683 1.6683 10.1896 10.1927 10.1961 10.1961 10.7306 10.7306 11.2146 11.2146 11.8544 11.8547 k = 0.3333 0.5774-0.0000 ( 4596 PWs) bands (ev): -16.9750 -16.9737 -16.9736 -16.9736 -16.2018 -16.2018 -15.6043 -15.6043 -15.5908 -15.5908 -15.5881 -15.5877 -7.0192 -7.0192 -5.1632 -5.1587 -5.1556 -5.1556 -3.7979 -3.7943 -3.7943 -3.7914 -2.9197 -2.9197 -1.2489 -1.2382 -1.2382 -1.2331 -0.9504 -0.9504 -0.4597 -0.4597 -0.2912 -0.2900 -0.2857 -0.2857 0.0010 0.0010 0.2926 0.3035 0.3035 0.3082 1.2399 1.2399 1.2509 1.2530 1.6683 1.6683 10.1896 10.1927 10.1961 10.1961 10.7306 10.7306 11.2146 11.2146 11.8544 11.8567 k = 0.3254 0.5636-0.0000 ( 4580 PWs) bands (ev): -16.9946 -16.9940 -16.9540 -16.9533 -16.2018 -16.2016 -15.6044 -15.6042 -15.5908 -15.5908 -15.5881 -15.5877 -7.0190 -7.0188 -5.2138 -5.2115 -5.1047 -5.1027 -3.7984 -3.7947 -3.7943 -3.7912 -2.9204 -2.9203 -1.2514 -1.2417 -1.2361 -1.2297 -0.9499 -0.9496 -0.4592 -0.4591 -0.2940 -0.2931 -0.2867 -0.2866 0.0052 0.0056 0.2786 0.2873 0.3178 0.3253 1.2245 1.2246 1.2656 1.2670 1.6680 1.6686 10.1332 10.1346 10.2487 10.2501 10.7322 10.7325 11.2138 11.2147 11.8448 11.8452 k = 0.3175 0.5499-0.0000 ( 4572 PWs) bands (ev): -17.0154 -17.0148 -16.9330 -16.9323 -16.2015 -16.2012 -15.6046 -15.6042 -15.5909 -15.5909 -15.5879 -15.5876 -7.0181 -7.0178 -5.2684 -5.2661 -5.0498 -5.0478 -3.7999 -3.7961 -3.7940 -3.7907 -2.9225 -2.9223 -1.2569 -1.2476 -1.2312 -1.2241 -0.9482 -0.9476 -0.4579 -0.4576 -0.3048 -0.3046 -0.2868 -0.2863 0.0176 0.0185 0.2606 0.2693 0.3373 0.3454 1.2034 1.2037 1.2838 1.2850 1.6676 1.6689 10.0671 10.0683 10.3035 10.3049 10.7365 10.7371 11.2121 11.2141 11.8348 11.8360 k = 0.3095 0.5361-0.0000 ( 4568 PWs) bands (ev): -17.0367 -17.0361 -16.9114 -16.9107 -16.2011 -16.2007 -15.6048 -15.6042 -15.5912 -15.5910 -15.5876 -15.5875 -7.0166 -7.0162 -5.3232 -5.3209 -4.9945 -4.9926 -3.8020 -3.7981 -3.7937 -3.7903 -2.9261 -2.9257 -1.2635 -1.2543 -1.2254 -1.2179 -0.9452 -0.9444 -0.4557 -0.4551 -0.3224 -0.3223 -0.2860 -0.2852 0.0367 0.0379 0.2429 0.2518 0.3580 0.3664 1.1810 1.1818 1.3014 1.3024 1.6672 1.6689 9.9956 9.9967 10.3572 10.3584 10.7423 10.7430 11.2095 11.2124 11.8283 11.8307 k = 0.3016 0.5224-0.0000 ( 4578 PWs) bands (ev): -17.0584 -17.0579 -16.8893 -16.8885 -16.2006 -16.2000 -15.6050 -15.6042 -15.5914 -15.5911 -15.5874 -15.5872 -7.0145 -7.0139 -5.3782 -5.3760 -4.9391 -4.9372 -3.8045 -3.8005 -3.7935 -3.7901 -2.9311 -2.9306 -1.2709 -1.2615 -1.2190 -1.2112 -0.9408 -0.9398 -0.4527 -0.4517 -0.3446 -0.3443 -0.2846 -0.2835 0.0605 0.0620 0.2257 0.2347 0.3798 0.3885 1.1578 1.1590 1.3181 1.3190 1.6665 1.6687 9.9197 9.9206 10.4091 10.4102 10.7484 10.7494 11.2059 11.2099 11.8253 11.8289 k = 0.2937 0.5086-0.0000 ( 4580 PWs) bands (ev): -17.0804 -17.0799 -16.8666 -16.8658 -16.1999 -16.1991 -15.6053 -15.6043 -15.5917 -15.5913 -15.5871 -15.5868 -7.0119 -7.0111 -5.4333 -5.4311 -4.8836 -4.8818 -3.8073 -3.8031 -3.7936 -3.7901 -2.9377 -2.9370 -1.2786 -1.2692 -1.2120 -1.2041 -0.9350 -0.9338 -0.4491 -0.4477 -0.3697 -0.3692 -0.2827 -0.2812 0.0875 0.0892 0.2090 0.2182 0.4028 0.4118 1.1340 1.1356 1.3338 1.3346 1.6654 1.6681 9.8401 9.8410 10.4588 10.4597 10.7543 10.7554 11.2019 11.2068 11.8256 11.8304 k = 0.2857 0.4949-0.0000 ( 4576 PWs) bands (ev): -17.1027 -17.1023 -16.8434 -16.8427 -16.1992 -16.1982 -15.6057 -15.6045 -15.5921 -15.5914 -15.5868 -15.5862 -7.0086 -7.0077 -5.4885 -5.4863 -4.8283 -4.8265 -3.8103 -3.8059 -3.7939 -3.7903 -2.9458 -2.9449 -1.2866 -1.2770 -1.2047 -1.1967 -0.9277 -0.9264 -0.4449 -0.4430 -0.3965 -0.3959 -0.2803 -0.2782 0.1163 0.1183 0.1928 0.2023 0.4271 0.4363 1.1097 1.1117 1.3486 1.3493 1.6640 1.6671 9.7576 9.7584 10.5056 10.5062 10.7594 10.7607 11.1980 11.2036 11.8286 11.8344 k = 0.2778 0.4811-0.0000 ( 4586 PWs) bands (ev): -17.1252 -17.1248 -16.8198 -16.8191 -16.1983 -16.1972 -15.6061 -15.6046 -15.5923 -15.5916 -15.5864 -15.5856 -7.0048 -7.0037 -5.5436 -5.5415 -4.7732 -4.7716 -3.8134 -3.8087 -3.7945 -3.7909 -2.9554 -2.9544 -1.2947 -1.2850 -1.1971 -1.1890 -0.9187 -0.9173 -0.4407 -0.4382 -0.4242 -0.4236 -0.2772 -0.2747 0.1460 0.1483 0.1773 0.1871 0.4529 0.4624 1.0851 1.0874 1.3624 1.3629 1.6620 1.6655 9.6726 9.6733 10.5490 10.5492 10.7633 10.7649 11.1949 11.2012 11.8335 11.8404 k = 0.2698 0.4674-0.0000 ( 4582 PWs) bands (ev): -17.1478 -17.1475 -16.7959 -16.7951 -16.1974 -16.1962 -15.6065 -15.6049 -15.5926 -15.5916 -15.5860 -15.5850 -7.0005 -6.9993 -5.5986 -5.5966 -4.7186 -4.7171 -3.8164 -3.8116 -3.7954 -3.7917 -2.9666 -2.9654 -1.3028 -1.2928 -1.1894 -1.1812 -0.9081 -0.9065 -0.4535 -0.4526 -0.4353 -0.4323 -0.2735 -0.2703 0.1624 0.1720 0.1764 0.1786 0.4805 0.4901 1.0602 1.0628 1.3751 1.3756 1.6595 1.6633 9.5856 9.5863 10.5879 10.5882 10.7660 10.7677 11.1937 11.2003 11.8396 11.8474 k = 0.2619 0.4536-0.0000 ( 4568 PWs) bands (ev): -17.1705 -17.1702 -16.7716 -16.7708 -16.1965 -16.1951 -15.6069 -15.6051 -15.5927 -15.5917 -15.5855 -15.5843 -6.9957 -6.9943 -5.6535 -5.6515 -4.6645 -4.6631 -3.8194 -3.8144 -3.7966 -3.7929 -2.9793 -2.9778 -1.3106 -1.3005 -1.1816 -1.1733 -0.8957 -0.8940 -0.4819 -0.4809 -0.4310 -0.4271 -0.2690 -0.2651 0.1483 0.1584 0.2056 0.2084 0.5098 0.5195 1.0353 1.0382 1.3869 1.3872 1.6563 1.6604 9.4970 9.4976 10.6215 10.6224 10.7672 10.7691 11.1952 11.2019 11.8462 11.8548 k = 0.2540 0.4399-0.0000 ( 4560 PWs) bands (ev): -17.1931 -17.1929 -16.7471 -16.7462 -16.1956 -16.1941 -15.6074 -15.6054 -15.5928 -15.5916 -15.5850 -15.5836 -6.9904 -6.9889 -5.7081 -5.7062 -4.6112 -4.6099 -3.8223 -3.8172 -3.7980 -3.7943 -2.9934 -2.9917 -1.3180 -1.3078 -1.1739 -1.1656 -0.8815 -0.8797 -0.5102 -0.5091 -0.4268 -0.4220 -0.2638 -0.2591 0.1348 0.1451 0.2344 0.2374 0.5410 0.5509 1.0105 1.0135 1.3976 1.3978 1.6525 1.6568 9.4071 9.4076 10.6493 10.6510 10.7669 10.7691 11.2002 11.2067 11.8527 11.8620 k = 0.2460 0.4261-0.0000 ( 4566 PWs) bands (ev): -17.2157 -17.2155 -16.7223 -16.7214 -16.1947 -16.1931 -15.6079 -15.6058 -15.5928 -15.5915 -15.5844 -15.5828 -6.9847 -6.9831 -5.7625 -5.7606 -4.5587 -4.5575 -3.8251 -3.8197 -3.7998 -3.7961 -3.0088 -3.0070 -1.3249 -1.3146 -1.1664 -1.1581 -0.8657 -0.8637 -0.5381 -0.5367 -0.4230 -0.4174 -0.2577 -0.2521 0.1220 0.1325 0.2621 0.2653 0.5742 0.5841 0.9858 0.9891 1.4072 1.4073 1.6478 1.6524 9.3162 9.3167 10.6709 10.6736 10.7651 10.7677 11.2091 11.2153 11.8587 11.8686 k = 0.2381 0.4124-0.0000 ( 4565 PWs) bands (ev): -17.2382 -17.2380 -16.6974 -16.6965 -16.1939 -16.1922 -15.6084 -15.6062 -15.5927 -15.5912 -15.5837 -15.5820 -6.9786 -6.9769 -5.8164 -5.8146 -4.5071 -4.5060 -3.8276 -3.8221 -3.8018 -3.7981 -3.0256 -3.0236 -1.3312 -1.3207 -1.1592 -1.1510 -0.8485 -0.8462 -0.5649 -0.5633 -0.4199 -0.4134 -0.2506 -0.2443 0.1099 0.1206 0.2887 0.2921 0.6092 0.6191 0.9615 0.9649 1.4158 1.4158 1.6424 1.6472 9.2247 9.2251 10.6863 10.6901 10.7620 10.7649 11.2220 11.2276 11.8642 11.8745 k = 0.2302 0.3986-0.0000 ( 4561 PWs) bands (ev): -17.2605 -17.2603 -16.6724 -16.6715 -16.1932 -16.1913 -15.6090 -15.6066 -15.5924 -15.5909 -15.5830 -15.5812 -6.9722 -6.9704 -5.8699 -5.8681 -4.4567 -4.4557 -3.8299 -3.8242 -3.8040 -3.8004 -3.0436 -3.0413 -1.3367 -1.3262 -1.1524 -1.1443 -0.8304 -0.8277 -0.5901 -0.5881 -0.4176 -0.4104 -0.2427 -0.2355 0.0985 0.1095 0.3140 0.3175 0.6460 0.6558 0.9376 0.9411 1.4232 1.4233 1.6362 1.6411 9.1328 9.1332 10.6958 10.7007 10.7577 10.7610 11.2383 11.2430 11.8617 11.8622 k = 0.2222 0.3849-0.0000 ( 4553 PWs) bands (ev): -17.2825 -17.2823 -16.6474 -16.6465 -16.1925 -16.1905 -15.6095 -15.6070 -15.5921 -15.5904 -15.5823 -15.5804 -6.9655 -6.9636 -5.9228 -5.9211 -4.4074 -4.4066 -3.8318 -3.8260 -3.8064 -3.8028 -3.0627 -3.0602 -1.3414 -1.3307 -1.1461 -1.1381 -0.8124 -0.8093 -0.6126 -0.6101 -0.4164 -0.4084 -0.2338 -0.2259 0.0878 0.0990 0.3380 0.3417 0.6843 0.6940 0.9144 0.9180 1.4295 1.4297 1.6291 1.6342 9.0407 9.0411 10.7002 10.7062 10.7523 10.7561 11.2567 11.2605 11.8183 11.8189 k = 0.2143 0.3712-0.0000 ( 4559 PWs) bands (ev): -17.3042 -17.3041 -16.6224 -16.6215 -16.1919 -16.1899 -15.6101 -15.6075 -15.5916 -15.5898 -15.5815 -15.5795 -6.9585 -6.9565 -5.9752 -5.9735 -4.3596 -4.3588 -3.8335 -3.8275 -3.8090 -3.8054 -3.0828 -3.0800 -1.3452 -1.3344 -1.1403 -1.1324 -0.7966 -0.7928 -0.6304 -0.6273 -0.4164 -0.4076 -0.2241 -0.2154 0.0779 0.0893 0.3610 0.3647 0.7239 0.7334 0.8919 0.8956 1.4347 1.4351 1.6211 1.6263 8.9488 8.9491 10.7003 10.7074 10.7461 10.7504 11.2757 11.2786 11.7696 11.7702 k = 0.2063 0.3574-0.0000 ( 4565 PWs) bands (ev): -17.3256 -17.3255 -16.5975 -16.5966 -16.1914 -16.1893 -15.6107 -15.6080 -15.5909 -15.5891 -15.5807 -15.5786 -6.9512 -6.9491 -6.0268 -6.0252 -4.3131 -4.3125 -3.8348 -3.8286 -3.8117 -3.8081 -3.1038 -3.1008 -1.3479 -1.3370 -1.1350 -1.1273 -0.7863 -0.7820 -0.6398 -0.6362 -0.4176 -0.4083 -0.2136 -0.2043 0.0687 0.0803 0.3829 0.3867 0.7644 0.7738 0.8703 0.8741 1.4389 1.4394 1.6123 1.6176 8.8573 8.8576 10.6973 10.7053 10.7392 10.7439 11.2937 11.2956 11.7177 11.7182 k = 0.1984 0.3437-0.0000 ( 4577 PWs) bands (ev): -17.3466 -17.3464 -16.5728 -16.5719 -16.1910 -16.1889 -15.6113 -15.6086 -15.5901 -15.5883 -15.5798 -15.5777 -6.9438 -6.9416 -6.0775 -6.0760 -4.2683 -4.2678 -3.8357 -3.8293 -3.8143 -3.8109 -3.1256 -3.1224 -1.3495 -1.3386 -1.1302 -1.1227 -0.7852 -0.7809 -0.6371 -0.6335 -0.4202 -0.4104 -0.2024 -0.1926 0.0603 0.0721 0.4039 0.4078 0.8055 0.8149 0.8499 0.8536 1.4420 1.4425 1.6026 1.6079 8.7664 8.7667 10.6919 10.7007 10.7318 10.7370 11.3090 11.3098 11.6640 11.6642 k = 0.1905 0.3299-0.0000 ( 4581 PWs) bands (ev): -17.3671 -17.3670 -16.5484 -16.5474 -16.1908 -16.1886 -15.6120 -15.6091 -15.5892 -15.5873 -15.5790 -15.5767 -6.9362 -6.9340 -6.1274 -6.1260 -4.2253 -4.2249 -3.8362 -3.8297 -3.8168 -3.8135 -3.1481 -3.1446 -1.3500 -1.3390 -1.1259 -1.1186 -0.7935 -0.7897 -0.6219 -0.6188 -0.4242 -0.4140 -0.1907 -0.1803 0.0527 0.0646 0.4242 0.4281 0.8293 0.8341 0.8483 0.8565 1.4441 1.4447 1.5920 1.5974 8.6764 8.6766 10.6849 10.6944 10.7241 10.7299 11.3198 11.3201 11.6095 11.6095 k = 0.1825 0.3162-0.0000 ( 4585 PWs) bands (ev): -17.3871 -17.3870 -16.5242 -16.5232 -16.1906 -16.1885 -15.6126 -15.6097 -15.5882 -15.5862 -15.5780 -15.5758 -6.9284 -6.9262 -6.1763 -6.1750 -4.1842 -4.1839 -3.8362 -3.8295 -3.8190 -3.8158 -3.1711 -3.1673 -1.3493 -1.3383 -1.1221 -1.1151 -0.8084 -0.8052 -0.5977 -0.5953 -0.4298 -0.4193 -0.1785 -0.1678 0.0458 0.0580 0.4439 0.4479 0.8119 0.8161 0.8895 0.8981 1.4452 1.4458 1.5805 1.5859 8.5875 8.5877 10.6771 10.6871 10.7164 10.7226 11.3246 11.3261 11.5547 11.5551 k = 0.1746 0.3024-0.0000 ( 4577 PWs) bands (ev): -17.4066 -17.4065 -16.5004 -16.4994 -16.1906 -16.1884 -15.6132 -15.6103 -15.5870 -15.5851 -15.5771 -15.5748 -6.9207 -6.9184 -6.2241 -6.2228 -4.1452 -4.1450 -3.8358 -3.8290 -3.8207 -3.8177 -3.1945 -3.1906 -1.3473 -1.3363 -1.1188 -1.1120 -0.8267 -0.8241 -0.5682 -0.5663 -0.4370 -0.4263 -0.1661 -0.1550 0.0398 0.0521 0.4631 0.4671 0.7953 0.7995 0.9311 0.9397 1.4453 1.4459 1.5682 1.5737 8.5000 8.5001 10.6688 10.6793 10.7087 10.7154 11.3238 11.3264 11.5005 11.5013 k = 0.1667 0.2887-0.0000 ( 4573 PWs) bands (ev): -17.4254 -17.4254 -16.4771 -16.4761 -16.1907 -16.1885 -15.6138 -15.6109 -15.5857 -15.5838 -15.5761 -15.5738 -6.9129 -6.9106 -6.2707 -6.2695 -4.1086 -4.1086 -3.8349 -3.8279 -3.8217 -3.8189 -3.2183 -3.2141 -1.3442 -1.3331 -1.1158 -1.1093 -0.8465 -0.8443 -0.5352 -0.5338 -0.4458 -0.4349 -0.1535 -0.1421 0.0345 0.0469 0.4818 0.4860 0.7802 0.7844 0.9724 0.9808 1.4445 1.4450 1.5551 1.5605 8.4140 8.4141 10.6605 10.6714 10.7013 10.7085 11.3174 11.3210 11.4473 11.4487 k = 0.1587 0.2749-0.0000 ( 4577 PWs) bands (ev): -17.4437 -17.4436 -16.4542 -16.4533 -16.1908 -16.1887 -15.6144 -15.6115 -15.5844 -15.5824 -15.5751 -15.5728 -6.9051 -6.9028 -6.3160 -6.3149 -4.0750 -4.0748 -3.8336 -3.8263 -3.8215 -3.8191 -3.2423 -3.2379 -1.3397 -1.3287 -1.1133 -1.1071 -0.8669 -0.8650 -0.5002 -0.4990 -0.4562 -0.4453 -0.1409 -0.1292 0.0299 0.0425 0.5003 0.5045 0.7667 0.7710 1.0130 1.0213 1.4428 1.4433 1.5412 1.5466 8.3298 8.3299 10.6526 10.6637 10.6943 10.7021 11.3058 11.3102 11.3955 11.3974 k = 0.1508 0.2612-0.0000 ( 4583 PWs) bands (ev): -17.4613 -17.4612 -16.4320 -16.4310 -16.1911 -16.1890 -15.6150 -15.6121 -15.5829 -15.5810 -15.5740 -15.5718 -6.8974 -6.8951 -6.3599 -6.3589 -4.0447 -4.0443 -3.8318 -3.8243 -3.8198 -3.8178 -3.2665 -3.2618 -1.3341 -1.3230 -1.1111 -1.1052 -0.8873 -0.8856 -0.4696 -0.4630 -0.4626 -0.4572 -0.1284 -0.1165 0.0261 0.0388 0.5184 0.5227 0.7549 0.7592 1.0527 1.0609 1.4404 1.4407 1.5267 1.5320 8.2477 8.2478 10.6451 10.6564 10.6878 10.6962 11.2899 11.2949 11.3456 11.3479 k = 0.1429 0.2474-0.0000 ( 4583 PWs) bands (ev): -17.4782 -17.4781 -16.4104 -16.4095 -16.1915 -16.1894 -15.6156 -15.6127 -15.5813 -15.5795 -15.5729 -15.5707 -6.8897 -6.8875 -6.4024 -6.4014 -4.0181 -4.0174 -3.8295 -3.8217 -3.8160 -3.8145 -3.2906 -3.2857 -1.3271 -1.3160 -1.1093 -1.1037 -0.9072 -0.9057 -0.4824 -0.4711 -0.4262 -0.4257 -0.1160 -0.1039 0.0230 0.0358 0.5363 0.5407 0.7448 0.7492 1.0911 1.0994 1.4373 1.4375 1.5114 1.5167 8.1678 8.1679 10.6384 10.6499 10.6820 10.6909 11.2703 11.2755 11.2979 11.3004 k = 0.1349 0.2337-0.0000 ( 4591 PWs) bands (ev): -17.4944 -17.4943 -16.3896 -16.3886 -16.1920 -16.1900 -15.6162 -15.6133 -15.5798 -15.5780 -15.5719 -15.5697 -6.8822 -6.8801 -6.4432 -6.4423 -3.9959 -3.9949 -3.8265 -3.8185 -3.8096 -3.8085 -3.3147 -3.3096 -1.3189 -1.3079 -1.1078 -1.1026 -0.9266 -0.9253 -0.4977 -0.4864 -0.3886 -0.3882 -0.1040 -0.0917 0.0206 0.0334 0.5541 0.5585 0.7365 0.7409 1.1281 1.1364 1.4337 1.4338 1.4956 1.5008 8.0905 8.0906 10.6325 10.6441 10.6768 10.6864 11.2476 11.2479 11.2551 11.2578 k = 0.1270 0.2199-0.0000 ( 4607 PWs) bands (ev): -17.5098 -17.5097 -16.3695 -16.3686 -16.1925 -16.1905 -15.6167 -15.6140 -15.5781 -15.5764 -15.5707 -15.5687 -6.8749 -6.8728 -6.4823 -6.4815 -3.9784 -3.9771 -3.8229 -3.8149 -3.8003 -3.7996 -3.3387 -3.3334 -1.3095 -1.2985 -1.1067 -1.1017 -0.9453 -0.9441 -0.5145 -0.5033 -0.3509 -0.3507 -0.0923 -0.0799 0.0187 0.0316 0.5716 0.5761 0.7300 0.7345 1.1631 1.1715 1.4296 1.4301 1.4794 1.4843 8.0159 8.0159 10.6277 10.6393 10.6725 10.6826 11.2061 11.2120 11.2233 11.2314 k = 0.1190 0.2062-0.0000 ( 4599 PWs) bands (ev): -17.5244 -17.5243 -16.3503 -16.3494 -16.1931 -16.1912 -15.6173 -15.6146 -15.5765 -15.5749 -15.5696 -15.5676 -6.8678 -6.8658 -6.5197 -6.5189 -3.9655 -3.9640 -3.8187 -3.8106 -3.7881 -3.7877 -3.3624 -3.3569 -1.2989 -1.2880 -1.1057 -1.1011 -0.9631 -0.9620 -0.5328 -0.5215 -0.3135 -0.3134 -0.0810 -0.0685 0.0174 0.0304 0.5889 0.5935 0.7253 0.7297 1.1958 1.2044 1.4254 1.4266 1.4629 1.4675 7.9442 7.9443 10.6239 10.6356 10.6689 10.6796 11.1652 11.1716 11.1972 11.2054 k = 0.1111 0.1925-0.0000 ( 4613 PWs) bands (ev): -17.5382 -17.5381 -16.3320 -16.3311 -16.1937 -16.1919 -15.6178 -15.6152 -15.5748 -15.5733 -15.5685 -15.5666 -6.8610 -6.8590 -6.5551 -6.5544 -3.9568 -3.9552 -3.8139 -3.8058 -3.7734 -3.7732 -3.3858 -3.3800 -1.2872 -1.2763 -1.1050 -1.1007 -0.9799 -0.9790 -0.5522 -0.5411 -0.2768 -0.2768 -0.0702 -0.0577 0.0165 0.0295 0.6060 0.6106 0.7223 0.7267 1.2255 1.2345 1.4217 1.4238 1.4463 1.4504 7.8758 7.8758 10.6212 10.6329 10.6661 10.6774 11.1266 11.1336 11.1701 11.1785 k = 0.1032 0.1787-0.0000 ( 4609 PWs) bands (ev): -17.5511 -17.5511 -16.3147 -16.3138 -16.1943 -16.1926 -15.6183 -15.6157 -15.5732 -15.5718 -15.5674 -15.5656 -6.8545 -6.8525 -6.5886 -6.5880 -3.9514 -3.9496 -3.8085 -3.8004 -3.7571 -3.7570 -3.4087 -3.4029 -1.2744 -1.2636 -1.1045 -1.1005 -0.9959 -0.9950 -0.5728 -0.5618 -0.2412 -0.2411 -0.0600 -0.0475 0.0161 0.0291 0.6228 0.6275 0.7209 0.7253 1.2515 1.2608 1.4180 1.4225 1.4309 1.4331 7.8108 7.8109 10.6197 10.6313 10.6641 10.6759 11.0908 11.0985 11.1425 11.1510 k = 0.0952 0.1650-0.0000 ( 4609 PWs) bands (ev): -17.5632 -17.5632 -16.2984 -16.2976 -16.1950 -16.1934 -15.6187 -15.6163 -15.5716 -15.5704 -15.5662 -15.5647 -6.8482 -6.8464 -6.6200 -6.6194 -3.9484 -3.9467 -3.8025 -3.7945 -3.7400 -3.7399 -3.4312 -3.4252 -1.2606 -1.2499 -1.1042 -1.1006 -1.0107 -1.0099 -0.5943 -0.5834 -0.2068 -0.2066 -0.0504 -0.0380 0.0160 0.0289 0.6393 0.6440 0.7210 0.7253 1.2726 1.2821 1.4084 1.4157 1.4239 1.4240 7.7495 7.7495 10.6194 10.6308 10.6627 10.6750 11.0577 11.0661 11.1148 11.1234 k = 0.0873 0.1512-0.0000 ( 4609 PWs) bands (ev): -17.5744 -17.5744 -16.2832 -16.2824 -16.1956 -16.1941 -15.6191 -15.6169 -15.5701 -15.5690 -15.5651 -15.5637 -6.8424 -6.8407 -6.6493 -6.6487 -3.9471 -3.9454 -3.7960 -3.7880 -3.7229 -3.7227 -3.4532 -3.4471 -1.2458 -1.2353 -1.1041 -1.1007 -1.0245 -1.0238 -0.6165 -0.6058 -0.1740 -0.1738 -0.0414 -0.0291 0.0163 0.0290 0.6554 0.6600 0.7224 0.7267 1.2878 1.2973 1.3928 1.3984 1.4271 1.4287 7.6921 7.6921 10.6202 10.6315 10.6620 10.6747 11.0277 11.0367 11.0873 11.0960 k = 0.0794 0.1375-0.0000 ( 4603 PWs) bands (ev): -17.5847 -17.5847 -16.2691 -16.2684 -16.1963 -16.1949 -15.6195 -15.6174 -15.5686 -15.5678 -15.5640 -15.5628 -6.8369 -6.8353 -6.6763 -6.6758 -3.9470 -3.9453 -3.7889 -3.7809 -3.7062 -3.7060 -3.4746 -3.4683 -1.2303 -1.2200 -1.1041 -1.1011 -1.0372 -1.0366 -0.6392 -0.6287 -0.1431 -0.1428 -0.0330 -0.0209 0.0168 0.0293 0.6710 0.6754 0.7251 0.7292 1.2968 1.3059 1.3765 1.3815 1.4355 1.4374 7.6388 7.6388 10.6221 10.6332 10.6618 10.6747 11.0007 11.0102 11.0604 11.0690 k = 0.0714 0.1237-0.0000 ( 4591 PWs) bands (ev): -17.5940 -17.5940 -16.2563 -16.2556 -16.1969 -16.1956 -15.6198 -15.6179 -15.5673 -15.5666 -15.5629 -15.5619 -6.8318 -6.8304 -6.7009 -6.7005 -3.9476 -3.9460 -3.7812 -3.7733 -3.6905 -3.6902 -3.4953 -3.4889 -1.2141 -1.2040 -1.1042 -1.1015 -1.0488 -1.0482 -0.6621 -0.6518 -0.1145 -0.1139 -0.0252 -0.0135 0.0175 0.0297 0.6859 0.6902 0.7288 0.7327 1.3004 1.3086 1.3606 1.3651 1.4477 1.4493 7.5899 7.5899 10.6251 10.6359 10.6619 10.6748 10.9769 10.9867 11.0344 11.0429 k = 0.0635 0.1100-0.0000 ( 4593 PWs) bands (ev): -17.6025 -17.6024 -16.2446 -16.2440 -16.1974 -16.1963 -15.6201 -15.6183 -15.5660 -15.5655 -15.5619 -15.5611 -6.8272 -6.8259 -6.7232 -6.7229 -3.9485 -3.9471 -3.7731 -3.7652 -3.6759 -3.6756 -3.5152 -3.5088 -1.1975 -1.1877 -1.1044 -1.1020 -1.0591 -1.0586 -0.6849 -0.6750 -0.0883 -0.0876 -0.0179 -0.0069 0.0185 0.0302 0.7000 0.7041 0.7332 0.7369 1.3000 1.3070 1.3455 1.3494 1.4618 1.4631 7.5455 7.5455 10.6291 10.6394 10.6623 10.6750 10.9563 10.9660 11.0096 11.0178 k = 0.0556 0.0962-0.0000 ( 4591 PWs) bands (ev): -17.6099 -17.6099 -16.2343 -16.2337 -16.1980 -16.1970 -15.6204 -15.6188 -15.5649 -15.5645 -15.5609 -15.5603 -6.8231 -6.8219 -6.7431 -6.7427 -3.9497 -3.9484 -3.7644 -3.7567 -3.6627 -3.6624 -3.5343 -3.5279 -1.1807 -1.1713 -1.1046 -1.1026 -1.0683 -1.0679 -0.7074 -0.6979 -0.0651 -0.0640 -0.0109 -0.0009 0.0197 0.0307 0.7132 0.7170 0.7381 0.7416 1.2970 1.3029 1.3313 1.3347 1.4764 1.4773 7.5058 7.5058 10.6340 10.6437 10.6628 10.6750 10.9388 10.9482 10.9864 10.9942 k = 0.0476 0.0825-0.0000 ( 4595 PWs) bands (ev): -17.6164 -17.6164 -16.2252 -16.2247 -16.1984 -16.1976 -15.6206 -15.6192 -15.5639 -15.5637 -15.5601 -15.5596 -6.8195 -6.8184 -6.7604 -6.7601 -3.9510 -3.9499 -3.7553 -3.7478 -3.6511 -3.6507 -3.5523 -3.5461 -1.1639 -1.1550 -1.1050 -1.1033 -1.0762 -1.0758 -0.7289 -0.7201 -0.0454 -0.0437 -0.0041 0.0044 0.0211 0.0311 0.7253 0.7287 0.7433 0.7464 1.2926 1.2973 1.3186 1.3212 1.4902 1.4908 7.4710 7.4710 10.6395 10.6486 10.6635 10.6747 10.9244 10.9331 10.9652 10.9723 k = 0.0397 0.0687-0.0000 ( 4595 PWs) bands (ev): -17.6219 -17.6219 -16.2175 -16.2171 -16.1988 -16.1981 -15.6207 -15.6196 -15.5631 -15.5630 -15.5593 -15.5590 -6.8163 -6.8155 -6.7751 -6.7749 -3.9522 -3.9512 -3.7460 -3.7388 -3.6412 -3.6407 -3.5692 -3.5632 -1.1477 -1.1395 -1.1054 -1.1040 -1.0828 -1.0825 -0.7491 -0.7410 -0.0296 -0.0270 0.0032 0.0094 0.0228 0.0315 0.7360 0.7390 0.7484 0.7511 1.2876 1.2910 1.3076 1.3094 1.5027 1.5031 7.4413 7.4413 10.6454 10.6536 10.6641 10.6741 10.9129 10.9202 10.9466 10.9526 k = 0.0317 0.0550-0.0000 ( 4587 PWs) bands (ev): -17.6264 -17.6264 -16.2111 -16.2108 -16.1992 -16.1986 -15.6208 -15.6199 -15.5624 -15.5623 -15.5587 -15.5584 -6.8137 -6.8130 -6.7872 -6.7870 -3.9532 -3.9524 -3.7365 -3.7298 -3.6330 -3.6324 -3.5845 -3.5790 -1.1325 -1.1252 -1.1058 -1.1048 -1.0880 -1.0879 -0.7673 -0.7602 -0.0182 -0.0147 0.0109 0.0144 0.0248 0.0317 0.7452 0.7476 0.7533 0.7555 1.2825 1.2846 1.2986 1.2994 1.5133 1.5136 7.4167 7.4168 10.6514 10.6585 10.6648 10.6732 10.9038 10.9093 10.9312 10.9356 k = 0.0238 0.0412-0.0000 ( 4591 PWs) bands (ev): -17.6300 -17.6300 -16.2061 -16.2059 -16.1994 -16.1990 -15.6209 -15.6202 -15.5619 -15.5619 -15.5581 -15.5580 -6.8117 -6.8111 -6.7967 -6.7965 -3.9541 -3.9535 -3.7273 -3.7214 -3.6268 -3.6259 -3.5977 -3.5930 -1.1190 -1.1129 -1.1063 -1.1056 -1.0919 -1.0919 -0.7826 -0.7768 -0.0107 -0.0069 0.0185 0.0196 0.0271 0.0318 0.7526 0.7542 0.7577 0.7591 1.2778 1.2788 1.2916 1.2917 1.5218 1.5220 7.3975 7.3976 10.6572 10.6626 10.6657 10.6720 10.8968 10.8999 10.9195 10.9220 k = 0.0159 0.0275-0.0000 ( 4587 PWs) bands (ev): -17.6325 -17.6325 -16.2025 -16.2024 -16.1996 -16.1993 -15.6209 -15.6204 -15.5615 -15.5615 -15.5578 -15.5577 -6.8102 -6.8098 -6.8034 -6.8034 -3.9547 -3.9543 -3.7190 -3.7144 -3.6228 -3.6215 -3.6077 -3.6047 -1.1082 -1.1068 -1.1064 -1.1036 -1.0946 -1.0944 -0.7942 -0.7900 -0.0059 -0.0029 0.0240 0.0247 0.0296 0.0318 0.7580 0.7588 0.7614 0.7620 1.2739 1.2742 1.2864 1.2867 1.5280 1.5281 7.3838 7.3838 10.6622 10.6653 10.6670 10.6707 10.8913 10.8924 10.9116 10.9125 k = 0.0079 0.0137-0.0000 ( 4571 PWs) bands (ev): -17.6340 -17.6340 -16.2004 -16.2003 -16.1996 -16.1995 -15.6208 -15.6206 -15.5613 -15.5613 -15.5575 -15.5575 -6.8092 -6.8090 -6.8075 -6.8075 -3.9550 -3.9548 -3.7125 -3.7099 -3.6215 -3.6197 -3.6129 -3.6122 -1.1072 -1.1070 -1.1010 -1.0983 -1.0959 -1.0955 -0.8011 -0.7989 -0.0029 -0.0013 0.0268 0.0281 0.0319 0.0323 0.7612 0.7613 0.7640 0.7640 1.2712 1.2713 1.2834 1.2837 1.5318 1.5318 7.3755 7.3755 10.6659 10.6667 10.6684 10.6694 10.8874 10.8875 10.9071 10.9072 k = 0.0000 0.0000 0.0000 ( 4571 PWs) bands (ev): -17.6345 -17.6345 -16.1997 -16.1997 -16.1995 -16.1995 -15.6207 -15.6207 -15.5612 -15.5612 -15.5574 -15.5574 -6.8089 -6.8089 -6.8088 -6.8088 -3.9551 -3.9551 -3.7092 -3.7092 -3.6210 -3.6210 -3.6140 -3.6140 -1.1073 -1.1073 -1.0982 -1.0982 -1.0953 -1.0953 -0.8028 -0.8028 -0.0014 -0.0014 0.0282 0.0282 0.0328 0.0328 0.7622 0.7622 0.7648 0.7648 1.2703 1.2703 1.2825 1.2825 1.5330 1.5330 7.3727 7.3727 10.6676 10.6676 10.6685 10.6685 10.8859 10.8859 10.9056 10.9056 k = 0.0000 0.0000 0.0000 ( 4571 PWs) bands (ev): -17.6345 -17.6345 -16.1997 -16.1997 -16.1995 -16.1995 -15.6207 -15.6207 -15.5612 -15.5612 -15.5574 -15.5574 -6.8089 -6.8089 -6.8088 -6.8088 -3.9551 -3.9551 -3.7092 -3.7092 -3.6210 -3.6210 -3.6140 -3.6140 -1.1073 -1.1073 -1.0982 -1.0982 -1.0953 -1.0953 -0.8028 -0.8028 -0.0014 -0.0014 0.0282 0.0282 0.0328 0.0328 0.7622 0.7622 0.7648 0.7648 1.2703 1.2703 1.2825 1.2825 1.5330 1.5330 7.3727 7.3727 10.6676 10.6676 10.6685 10.6685 10.8859 10.8859 10.9056 10.9056 k = 0.0000 0.0000 0.0158 ( 4571 PWs) bands (ev): -17.6340 -17.6340 -16.2361 -16.2359 -16.1637 -16.1635 -15.6208 -15.6206 -15.5619 -15.5606 -15.5580 -15.5569 -6.8788 -6.8786 -6.7378 -6.7377 -3.9556 -3.9553 -3.7105 -3.7102 -3.6502 -3.6432 -3.5911 -3.5842 -1.1100 -1.1071 -1.1068 -1.1067 -1.0856 -1.0828 -0.8022 -0.8016 -0.0036 -0.0011 0.0262 0.0284 0.0301 0.0348 0.7211 0.7238 0.8026 0.8052 1.2357 1.2480 1.3043 1.3165 1.5331 1.5336 7.3755 7.3755 10.6583 10.6591 10.6742 10.6751 10.8580 10.8777 10.9166 10.9363 k = 0.0000 0.0000 0.0315 ( 4595 PWs) bands (ev): -17.6324 -17.6324 -16.2728 -16.2726 -16.1281 -16.1280 -15.6207 -15.6204 -15.5625 -15.5601 -15.5586 -15.5565 -6.9473 -6.9472 -6.6657 -6.6655 -3.9570 -3.9562 -3.7144 -3.7137 -3.6785 -3.6718 -3.5608 -3.5541 -1.1209 -1.1180 -1.1051 -1.1050 -1.0724 -1.0697 -0.7999 -0.7988 -0.0074 -0.0028 0.0223 0.0268 0.0272 0.0361 0.6795 0.6823 0.8423 0.8449 1.2007 1.2131 1.3377 1.3498 1.5339 1.5349 7.3839 7.3839 10.6465 10.6472 10.6779 10.6788 10.8329 10.8528 10.9501 10.9696 k = 0.0000 0.0000 0.0473 ( 4607 PWs) bands (ev): -17.6297 -17.6297 -16.3097 -16.3096 -16.0930 -16.0929 -15.6206 -15.6201 -15.5632 -15.5596 -15.5592 -15.5561 -7.0144 -7.0143 -6.5924 -6.5923 -3.9591 -3.9580 -3.7216 -3.7194 -3.7052 -3.6998 -3.5301 -3.5235 -1.1310 -1.1280 -1.1023 -1.1022 -1.0586 -1.0559 -0.7959 -0.7942 -0.0128 -0.0073 0.0167 0.0227 0.0253 0.0367 0.6375 0.6402 0.8813 0.8838 1.1655 1.1779 1.3702 1.3823 1.5354 1.5369 7.3979 7.3979 10.6326 10.6334 10.6782 10.6792 10.8109 10.8308 10.9862 11.0056 k = 0.0000 0.0000 0.0630 ( 4595 PWs) bands (ev): -17.6260 -17.6260 -16.3469 -16.3467 -16.0584 -16.0583 -15.6204 -15.6197 -15.5639 -15.5599 -15.5591 -15.5557 -7.0800 -7.0799 -6.5183 -6.5182 -3.9619 -3.9604 -3.7381 -3.7276 -3.7270 -3.7243 -3.4990 -3.4926 -1.1400 -1.1370 -1.0985 -1.0982 -1.0442 -1.0416 -0.7903 -0.7879 -0.0202 -0.0148 0.0096 0.0180 0.0230 0.0367 0.5950 0.5978 0.9194 0.9218 1.1302 1.1427 1.4019 1.4139 1.5376 1.5396 7.4174 7.4174 10.6170 10.6176 10.6751 10.6762 10.7920 10.8119 11.0248 11.0440 k = 0.0000 0.0000 0.0788 ( 4595 PWs) bands (ev): -17.6212 -17.6212 -16.3842 -16.3840 -16.0245 -16.0244 -15.6201 -15.6193 -15.5647 -15.5606 -15.5586 -15.5553 -7.1440 -7.1439 -6.4434 -6.4432 -3.9654 -3.9636 -3.7629 -3.7535 -3.7380 -3.7366 -3.4678 -3.4615 -1.1481 -1.1449 -1.0935 -1.0932 -1.0293 -1.0268 -0.7830 -0.7801 -0.0301 -0.0256 0.0016 0.0126 0.0207 0.0360 0.5522 0.5550 0.9566 0.9590 1.0949 1.1075 1.4325 1.4445 1.5404 1.5429 7.4423 7.4424 10.5997 10.6003 10.6682 10.6692 10.7763 10.7962 11.0658 11.0849 k = 0.0000 0.0000 0.0945 ( 4607 PWs) bands (ev): -17.6154 -17.6154 -16.4216 -16.4214 -15.9913 -15.9912 -15.6197 -15.6187 -15.5655 -15.5613 -15.5582 -15.5550 -7.2064 -7.2063 -6.3677 -6.3676 -3.9696 -3.9675 -3.7882 -3.7791 -3.7508 -3.7498 -3.4364 -3.4303 -1.1550 -1.1518 -1.0875 -1.0871 -1.0142 -1.0117 -0.7741 -0.7706 -0.0427 -0.0394 -0.0067 0.0066 0.0182 0.0345 0.5091 0.5120 0.9929 0.9952 1.0599 1.0725 1.4620 1.4739 1.5439 1.5469 7.4726 7.4726 10.5810 10.5817 10.6571 10.6582 10.7637 10.7838 11.1091 11.1280 k = 0.0000 0.0000 0.1103 ( 4619 PWs) bands (ev): -17.6085 -17.6085 -16.4590 -16.4589 -15.9588 -15.9587 -15.6192 -15.6181 -15.5664 -15.5621 -15.5578 -15.5547 -7.2669 -7.2668 -6.2914 -6.2913 -3.9744 -3.9719 -3.8129 -3.8038 -3.7659 -3.7652 -3.4049 -3.3991 -1.1608 -1.1576 -1.0805 -1.0800 -0.9987 -0.9963 -0.7638 -0.7597 -0.0582 -0.0558 -0.0153 -0.0002 0.0154 0.0324 0.4659 0.4688 1.0253 1.0282 1.0304 1.0379 1.4902 1.5021 1.5481 1.5515 7.5080 7.5081 10.5612 10.5619 10.6418 10.6428 10.7546 10.7747 11.1546 11.1733 k = 0.0000 0.0000 0.1260 ( 4619 PWs) bands (ev): -17.6006 -17.6006 -16.4964 -16.4963 -15.9271 -15.9270 -15.6187 -15.6174 -15.5673 -15.5630 -15.5575 -15.5545 -7.3255 -7.3254 -6.2146 -6.2145 -3.9798 -3.9769 -3.8367 -3.8277 -3.7833 -3.7827 -3.3736 -3.3679 -1.1654 -1.1622 -1.0725 -1.0719 -0.9830 -0.9808 -0.7519 -0.7473 -0.0763 -0.0747 -0.0239 -0.0076 0.0122 0.0296 0.4225 0.4255 0.9912 1.0037 1.0623 1.0645 1.5170 1.5289 1.5529 1.5568 7.5485 7.5486 10.5406 10.5413 10.6218 10.6228 10.7488 10.7690 11.2022 11.2207 k = 0.0000 0.0000 0.1418 ( 4631 PWs) bands (ev): -17.5916 -17.5916 -16.5338 -16.5336 -15.8963 -15.8962 -15.6180 -15.6166 -15.5682 -15.5639 -15.5571 -15.5542 -7.3822 -7.3821 -6.1373 -6.1372 -3.9856 -3.9824 -3.8597 -3.8506 -3.8031 -3.8025 -3.3423 -3.3369 -1.1688 -1.1655 -1.0635 -1.0629 -0.9673 -0.9651 -0.7388 -0.7335 -0.0968 -0.0957 -0.0329 -0.0158 0.0086 0.0261 0.3791 0.3821 0.9578 0.9703 1.0953 1.0975 1.5425 1.5544 1.5582 1.5626 7.5939 7.5939 10.5193 10.5201 10.5971 10.5981 10.7466 10.7667 11.2518 11.2699 k = 0.0000 0.0000 0.1575 ( 4637 PWs) bands (ev): -17.5816 -17.5816 -16.5710 -16.5709 -15.8665 -15.8664 -15.6173 -15.6158 -15.5692 -15.5648 -15.5568 -15.5540 -7.4368 -7.4367 -6.0598 -6.0597 -3.9919 -3.9883 -3.8816 -3.8725 -3.8252 -3.8246 -3.3114 -3.3062 -1.1709 -1.1675 -1.0537 -1.0530 -0.9515 -0.9494 -0.7243 -0.7185 -0.1192 -0.1186 -0.0423 -0.0246 0.0044 0.0219 0.3357 0.3387 0.9252 0.9376 1.1271 1.1292 1.5642 1.5664 1.5690 1.5783 7.6440 7.6441 10.4975 10.4984 10.5675 10.5684 10.7479 10.7681 11.3031 11.3210 k = 0.0000 0.0000 0.1733 ( 4637 PWs) bands (ev): -17.5706 -17.5706 -16.6082 -16.6080 -15.8377 -15.8376 -15.6165 -15.6148 -15.5702 -15.5658 -15.5565 -15.5539 -7.4892 -7.4891 -5.9820 -5.9819 -3.9984 -3.9946 -3.9026 -3.8934 -3.8495 -3.8489 -3.2809 -3.2760 -1.1717 -1.1683 -1.0432 -1.0423 -0.9359 -0.9339 -0.7086 -0.7022 -0.1432 -0.1429 -0.0522 -0.0341 -0.0002 0.0171 0.2925 0.2955 0.8937 0.9060 1.1577 1.1596 1.5707 1.5760 1.5888 1.6006 7.6987 7.6987 10.4756 10.4765 10.5328 10.5337 10.7528 10.7730 11.3561 11.3737 k = 0.0000 0.0000 0.1890 ( 4619 PWs) bands (ev): -17.5586 -17.5585 -16.6451 -16.6450 -15.8099 -15.8098 -15.6157 -15.6138 -15.5712 -15.5668 -15.5562 -15.5537 -7.5394 -7.5393 -5.9042 -5.9041 -4.0053 -4.0011 -3.9226 -3.9132 -3.8762 -3.8755 -3.2509 -3.2462 -1.1711 -1.1676 -1.0320 -1.0310 -0.9204 -0.9185 -0.6919 -0.6849 -0.1685 -0.1684 -0.0627 -0.0443 -0.0054 0.0117 0.2494 0.2525 0.8634 0.8754 1.1869 1.1888 1.5776 1.5834 1.6096 1.6214 7.7576 7.7577 10.4536 10.4545 10.4931 10.4939 10.7614 10.7815 11.4107 11.4279 k = 0.0000 0.0000 0.2048 ( 4619 PWs) bands (ev): -17.5455 -17.5455 -16.6818 -16.6817 -15.7833 -15.7832 -15.6147 -15.6128 -15.5723 -15.5679 -15.5560 -15.5536 -7.5872 -7.5871 -5.8263 -5.8262 -4.0123 -4.0079 -3.9416 -3.9319 -3.9052 -3.9043 -3.2216 -3.2172 -1.1692 -1.1656 -1.0202 -1.0190 -0.9052 -0.9033 -0.6742 -0.6666 -0.1949 -0.1946 -0.0737 -0.0552 -0.0110 0.0057 0.2065 0.2097 0.8344 0.8461 1.2147 1.2165 1.5851 1.5913 1.6287 1.6405 7.8207 7.8208 10.4318 10.4327 10.4483 10.4490 10.7736 10.7937 11.4666 11.4834 k = 0.0000 0.0000 0.2205 ( 4619 PWs) bands (ev): -17.5314 -17.5314 -16.7182 -16.7181 -15.7580 -15.7579 -15.6138 -15.6116 -15.5734 -15.5691 -15.5557 -15.5535 -7.6326 -7.6325 -5.7485 -5.7484 -4.0195 -4.0147 -3.9598 -3.9496 -3.9365 -3.9350 -3.1931 -3.1889 -1.1659 -1.1623 -1.0080 -1.0067 -0.8903 -0.8886 -0.6555 -0.6474 -0.2218 -0.2213 -0.0853 -0.0667 -0.0171 -0.0009 0.1640 0.1672 0.8068 0.8182 1.2411 1.2428 1.5929 1.5995 1.6461 1.6579 7.8877 7.8878 10.3984 10.3991 10.4103 10.4112 10.7895 10.8095 11.5236 11.5400 k = 0.0000 0.0000 0.2363 ( 4619 PWs) bands (ev): -17.5164 -17.5163 -16.7543 -16.7542 -15.7339 -15.7338 -15.6127 -15.6105 -15.5746 -15.5702 -15.5555 -15.5534 -7.6755 -7.6755 -5.6709 -5.6708 -4.0267 -4.0216 -3.9789 -3.9700 -3.9661 -3.9661 -3.1654 -3.1615 -1.1612 -1.1575 -0.9956 -0.9941 -0.8759 -0.8743 -0.6361 -0.6274 -0.2489 -0.2482 -0.0976 -0.0790 -0.0235 -0.0079 0.1220 0.1252 0.7807 0.7918 1.2660 1.2676 1.6012 1.6082 1.6617 1.6736 7.9584 7.9585 10.3435 10.3441 10.3893 10.3902 10.8092 10.8291 11.5816 11.5975 k = 0.0000 0.0000 0.2521 ( 4613 PWs) bands (ev): -17.5003 -17.5003 -16.7901 -16.7900 -15.7111 -15.7110 -15.6116 -15.6092 -15.5758 -15.5714 -15.5553 -15.5533 -7.7159 -7.7158 -5.5937 -5.5936 -4.0338 -4.0285 -4.0078 -4.0058 -3.9884 -3.9816 -3.1389 -3.1352 -1.1551 -1.1513 -0.9833 -0.9815 -0.8621 -0.8606 -0.6161 -0.6068 -0.2757 -0.2747 -0.1105 -0.0920 -0.0302 -0.0153 0.0804 0.0837 0.7563 0.7669 1.2894 1.2909 1.6097 1.6171 1.6757 1.6876 8.0326 8.0326 10.2838 10.2844 10.3690 10.3698 10.8325 10.8523 11.6402 11.6557 k = 0.0000 0.0000 0.2678 ( 4613 PWs) bands (ev): -17.4833 -17.4833 -16.8255 -16.8254 -15.6898 -15.6897 -15.6104 -15.6079 -15.5770 -15.5727 -15.5551 -15.5533 -7.7536 -7.7535 -5.5169 -5.5168 -4.0448 -4.0439 -4.0408 -4.0352 -4.0038 -3.9958 -3.1135 -3.1101 -1.1476 -1.1438 -0.9712 -0.9692 -0.8488 -0.8474 -0.5954 -0.5855 -0.3018 -0.3005 -0.1241 -0.1056 -0.0371 -0.0230 0.0394 0.0427 0.7337 0.7437 1.3112 1.3126 1.6185 1.6263 1.6880 1.6998 8.1099 8.1100 10.2194 10.2200 10.3495 10.3503 10.8595 10.8791 11.6992 11.7142 k = 0.0000 0.0000 0.2836 ( 4589 PWs) bands (ev): -17.4653 -17.4653 -16.8604 -16.8603 -15.6699 -15.6699 -15.6092 -15.6066 -15.5783 -15.5740 -15.5549 -15.5532 -7.7886 -7.7885 -5.4405 -5.4404 -4.0847 -4.0841 -4.0476 -4.0417 -4.0173 -4.0090 -3.0895 -3.0864 -1.1388 -1.1349 -0.9598 -0.9574 -0.8363 -0.8350 -0.5742 -0.5638 -0.3265 -0.3249 -0.1383 -0.1199 -0.0442 -0.0310 -0.0009 0.0025 0.7128 0.7223 1.3315 1.3328 1.6275 1.6356 1.6985 1.7104 8.1903 8.1903 10.1507 10.1512 10.3310 10.3318 10.8902 10.9096 11.7583 11.7727 k = 0.0000 0.0000 0.2993 ( 4577 PWs) bands (ev): -17.4464 -17.4463 -16.8949 -16.8948 -15.6516 -15.6516 -15.6079 -15.6052 -15.5795 -15.5753 -15.5547 -15.5532 -7.8207 -7.8207 -5.3648 -5.3648 -4.1270 -4.1266 -4.0541 -4.0480 -4.0294 -4.0210 -3.0670 -3.0641 -1.1286 -1.1247 -0.9494 -0.9467 -0.8246 -0.8234 -0.5527 -0.5417 -0.3493 -0.3474 -0.1531 -0.1349 -0.0512 -0.0413 -0.0381 -0.0370 0.6938 0.7026 1.3501 1.3513 1.6365 1.6451 1.7074 1.7193 8.2733 8.2733 10.0779 10.0784 10.3136 10.3144 10.9245 10.9437 11.8169 11.8307 k = 0.0000 0.0000 0.3151 ( 4553 PWs) bands (ev): -17.4265 -17.4265 -16.9289 -16.9288 -15.6349 -15.6348 -15.6065 -15.6038 -15.5808 -15.5766 -15.5546 -15.5532 -7.8500 -7.8500 -5.2899 -5.2898 -4.1716 -4.1713 -4.0602 -4.0538 -4.0403 -4.0318 -3.0461 -3.0435 -1.1172 -1.1132 -0.9405 -0.9375 -0.8137 -0.8127 -0.5309 -0.5194 -0.3696 -0.3674 -0.1686 -0.1505 -0.0792 -0.0756 -0.0580 -0.0467 0.6767 0.6848 1.3670 1.3681 1.6457 1.6545 1.7146 1.7265 8.3589 8.3589 10.0012 10.0016 10.2975 10.2982 10.9623 10.9813 11.8746 11.8877 k = 0.0000 0.0000 0.3308 ( 4553 PWs) bands (ev): -17.4057 -17.4057 -16.9624 -16.9623 -15.6200 -15.6197 -15.6049 -15.6024 -15.5821 -15.5780 -15.5544 -15.5532 -7.8764 -7.8764 -5.2158 -5.2157 -4.2183 -4.2181 -4.0659 -4.0593 -4.0500 -4.0415 -3.0269 -3.0246 -1.1046 -1.1005 -0.9336 -0.9302 -0.8038 -0.8029 -0.5088 -0.4968 -0.3868 -0.3841 -0.1847 -0.1669 -0.1169 -0.1132 -0.0646 -0.0544 0.6614 0.6688 1.3822 1.3832 1.6547 1.6639 1.7203 1.7321 8.4466 8.4466 9.9211 9.9214 10.2828 10.2834 11.0035 11.0223 11.9308 11.9430 k = 0.0000 0.0000 0.3466 ( 4541 PWs) bands (ev): -17.3840 -17.3840 -16.9954 -16.9953 -15.6080 -15.6064 -15.6019 -15.6009 -15.5833 -15.5795 -15.5543 -15.5532 -7.8999 -7.8998 -5.1426 -5.1425 -4.2672 -4.2670 -4.0711 -4.0643 -4.0586 -4.0501 -3.0096 -3.0076 -1.0909 -1.0868 -0.9291 -0.9254 -0.7949 -0.7941 -0.4867 -0.4741 -0.4000 -0.3971 -0.2014 -0.1838 -0.1534 -0.1496 -0.0708 -0.0617 0.6481 0.6546 1.3957 1.3966 1.6637 1.6732 1.7243 1.7361 8.5364 8.5364 9.8377 9.8381 10.2695 10.2701 11.0482 11.0667 11.9295 11.9424 k = 0.0000 0.0000 0.3623 ( 4553 PWs) bands (ev): -17.3614 -17.3614 -17.0277 -17.0276 -15.6036 -15.5994 -15.5951 -15.5932 -15.5842 -15.5809 -15.5541 -15.5532 -7.9203 -7.9202 -5.0704 -5.0704 -4.3181 -4.3180 -4.0757 -4.0687 -4.0660 -4.0575 -2.9944 -2.9927 -1.0763 -1.0720 -0.9275 -0.9235 -0.7870 -0.7863 -0.4646 -0.4515 -0.4089 -0.4056 -0.2188 -0.2014 -0.1886 -0.1847 -0.0764 -0.0685 0.6367 0.6423 1.4075 1.4082 1.6724 1.6822 1.7269 1.7386 8.6278 8.6278 9.7516 9.7519 10.2578 10.2583 11.0960 11.1142 11.8581 11.8714 k = 0.0000 0.0000 0.3781 ( 4541 PWs) bands (ev): -17.3380 -17.3379 -17.0595 -17.0594 -15.6017 -15.5978 -15.5887 -15.5836 -15.5824 -15.5821 -15.5540 -15.5532 -7.9376 -7.9376 -4.9994 -4.9993 -4.3711 -4.3710 -4.0796 -4.0724 -4.0723 -4.0639 -2.9812 -2.9798 -1.0608 -1.0564 -0.9290 -0.9247 -0.7803 -0.7797 -0.4425 -0.4289 -0.4129 -0.4094 -0.2367 -0.2224 -0.2197 -0.2184 -0.0812 -0.0746 0.6271 0.6319 1.4175 1.4181 1.6809 1.6910 1.7281 1.7397 8.7207 8.7207 9.6631 9.6634 10.2478 10.2482 11.1470 11.1649 11.7867 11.8005 k = 0.0000 0.0000 0.3938 ( 4547 PWs) bands (ev): -17.3137 -17.3136 -17.0906 -17.0905 -15.6002 -15.5963 -15.5888 -15.5839 -15.5755 -15.5751 -15.5539 -15.5533 -7.9518 -7.9518 -4.9297 -4.9296 -4.4261 -4.4260 -4.0829 -4.0775 -4.0755 -4.0691 -2.9703 -2.9692 -1.0446 -1.0402 -0.9338 -0.9293 -0.7747 -0.7742 -0.4205 -0.4118 -0.4082 -0.4064 -0.2552 -0.2545 -0.2504 -0.2385 -0.0853 -0.0800 0.6194 0.6233 1.4257 1.4262 1.6890 1.6993 1.7279 1.7394 8.8147 8.8147 9.5725 9.5727 10.2395 10.2398 11.2009 11.2185 11.7157 11.7300 k = 0.0000 0.0000 0.4096 ( 4541 PWs) bands (ev): -17.2885 -17.2884 -17.1211 -17.1210 -15.5987 -15.5948 -15.5900 -15.5854 -15.5691 -15.5690 -15.5538 -15.5533 -7.9630 -7.9629 -4.8612 -4.8611 -4.4830 -4.4829 -4.0854 -4.0816 -4.0778 -4.0733 -2.9617 -2.9609 -1.0281 -1.0236 -0.9417 -0.9370 -0.7703 -0.7699 -0.4057 -0.4020 -0.3988 -0.3841 -0.2847 -0.2803 -0.2742 -0.2579 -0.0884 -0.0844 0.6136 0.6165 1.4321 1.4325 1.6966 1.7071 1.7264 1.7379 8.9096 8.9096 9.4802 9.4804 10.2329 10.2332 11.2576 11.2749 11.6455 11.6603 k = 0.0000 0.0000 0.4253 ( 4541 PWs) bands (ev): -17.2625 -17.2624 -17.1508 -17.1507 -15.5972 -15.5932 -15.5913 -15.5870 -15.5645 -15.5644 -15.5537 -15.5534 -7.9709 -7.9709 -4.7941 -4.7941 -4.5418 -4.5416 -4.0870 -4.0847 -4.0793 -4.0765 -2.9555 -2.9549 -1.0115 -1.0069 -0.9522 -0.9475 -0.7671 -0.7668 -0.3949 -0.3912 -0.3775 -0.3621 -0.3127 -0.3080 -0.2937 -0.2778 -0.0905 -0.0878 0.6096 0.6115 1.4367 1.4370 1.7036 1.7143 1.7238 1.7352 9.0050 9.0051 9.3865 9.3867 10.2283 10.2285 11.3170 11.3339 11.5764 11.5917 k = 0.0000 0.0000 0.4411 ( 4564 PWs) bands (ev): -17.2358 -17.2357 -17.1799 -17.1798 -15.5957 -15.5928 -15.5916 -15.5885 -15.5617 -15.5617 -15.5536 -15.5535 -7.9757 -7.9757 -4.7286 -4.7285 -4.6023 -4.6022 -4.0879 -4.0867 -4.0800 -4.0786 -2.9517 -2.9514 -0.9952 -0.9905 -0.9650 -0.9603 -0.7651 -0.7650 -0.3797 -0.3762 -0.3575 -0.3404 -0.3381 -0.3321 -0.3135 -0.2982 -0.0916 -0.0902 0.6073 0.6083 1.4395 1.4396 1.7099 1.7201 1.7208 1.7313 9.1007 9.1008 9.2918 9.2920 10.2255 10.2256 11.3788 11.3953 11.5087 11.5244 k = 0.0000 0.0000 0.4569 ( 4570 PWs) bands (ev): -17.2082 -17.2082 -17.2081 -17.2081 -15.5942 -15.5942 -15.5901 -15.5901 -15.5608 -15.5608 -15.5535 -15.5535 -7.9773 -7.9773 -4.6646 -4.6646 -4.6645 -4.6645 -4.0878 -4.0878 -4.0798 -4.0798 -2.9503 -2.9503 -0.9795 -0.9795 -0.9748 -0.9748 -0.7645 -0.7645 -0.3606 -0.3606 -0.3583 -0.3583 -0.3328 -0.3328 -0.3191 -0.3191 -0.0914 -0.0914 0.6069 0.6069 1.4404 1.4404 1.7154 1.7154 1.7265 1.7265 9.1964 9.1964 9.1966 9.1966 10.2246 10.2246 11.4428 11.4428 11.4589 11.4589 k = 0.0000 0.0000 0.4569 ( 4570 PWs) bands (ev): -17.2082 -17.2082 -17.2081 -17.2081 -15.5942 -15.5942 -15.5901 -15.5901 -15.5608 -15.5608 -15.5535 -15.5535 -7.9773 -7.9773 -4.6646 -4.6646 -4.6645 -4.6645 -4.0878 -4.0878 -4.0798 -4.0798 -2.9503 -2.9503 -0.9795 -0.9795 -0.9748 -0.9748 -0.7645 -0.7645 -0.3606 -0.3606 -0.3583 -0.3583 -0.3328 -0.3328 -0.3191 -0.3191 -0.0914 -0.0914 0.6069 0.6069 1.4404 1.4404 1.7154 1.7154 1.7265 1.7265 9.1964 9.1964 9.1966 9.1966 10.2246 10.2246 11.4428 11.4428 11.4589 11.4589 k = 0.0139 0.0080 0.4569 ( 4564 PWs) bands (ev): -17.2081 -17.2080 -17.2076 -17.2076 -15.5948 -15.5947 -15.5905 -15.5905 -15.5609 -15.5607 -15.5537 -15.5536 -7.9757 -7.9757 -4.6669 -4.6665 -4.6659 -4.6652 -4.0864 -4.0863 -4.0784 -4.0783 -2.9510 -2.9509 -0.9807 -0.9807 -0.9760 -0.9759 -0.7642 -0.7641 -0.3738 -0.3734 -0.3653 -0.3652 -0.3225 -0.3220 -0.3083 -0.3080 -0.0909 -0.0897 0.6071 0.6076 1.4392 1.4403 1.7142 1.7152 1.7258 1.7258 9.1979 9.1980 9.1982 9.1983 10.2264 10.2267 11.4415 11.4420 11.4578 11.4578 k = 0.0278 0.0160 0.4569 ( 4560 PWs) bands (ev): -17.2078 -17.2077 -17.2060 -17.2059 -15.5969 -15.5967 -15.5915 -15.5913 -15.5611 -15.5607 -15.5539 -15.5537 -7.9709 -7.9709 -4.6732 -4.6725 -4.6692 -4.6677 -4.0823 -4.0821 -4.0744 -4.0741 -2.9529 -2.9528 -0.9844 -0.9842 -0.9795 -0.9792 -0.7634 -0.7633 -0.3922 -0.3918 -0.3824 -0.3820 -0.3034 -0.3014 -0.2887 -0.2875 -0.0880 -0.0856 0.6081 0.6092 1.4364 1.4385 1.7114 1.7135 1.7236 1.7237 9.2022 9.2023 9.2035 9.2037 10.2321 10.2328 11.4381 11.4391 11.4547 11.4547 k = 0.0417 0.0241 0.4569 ( 4562 PWs) bands (ev): -17.2074 -17.2073 -17.2032 -17.2032 -15.6011 -15.6009 -15.5922 -15.5919 -15.5614 -15.5607 -15.5544 -15.5540 -7.9631 -7.9630 -4.6834 -4.6824 -4.6743 -4.6720 -4.0757 -4.0753 -4.0677 -4.0670 -2.9560 -2.9558 -0.9907 -0.9903 -0.9849 -0.9847 -0.7620 -0.7618 -0.4105 -0.4100 -0.4005 -0.3998 -0.2831 -0.2787 -0.2674 -0.2643 -0.0827 -0.0792 0.6100 0.6116 1.4321 1.4353 1.7070 1.7103 1.7199 1.7202 9.2093 9.2095 9.2123 9.2125 10.2418 10.2428 11.4327 11.4342 11.4496 11.4497 k = 0.0556 0.0321 0.4569 ( 4562 PWs) bands (ev): -17.2067 -17.2066 -17.1994 -17.1994 -15.6073 -15.6072 -15.5929 -15.5923 -15.5616 -15.5607 -15.5549 -15.5544 -7.9520 -7.9520 -4.6973 -4.6961 -4.6809 -4.6780 -4.0670 -4.0661 -4.0585 -4.0573 -2.9604 -2.9602 -0.9996 -0.9990 -0.9921 -0.9920 -0.7601 -0.7598 -0.4278 -0.4273 -0.4179 -0.4171 -0.2630 -0.2558 -0.2453 -0.2398 -0.0749 -0.0703 0.6127 0.6148 1.4264 1.4306 1.7008 1.7056 1.7149 1.7156 9.2192 9.2195 9.2245 9.2249 10.2555 10.2568 11.4253 11.4274 11.4426 11.4428 k = 0.0694 0.0401 0.4569 ( 4570 PWs) bands (ev): -17.2059 -17.2058 -17.1945 -17.1945 -15.6155 -15.6154 -15.5935 -15.5927 -15.5619 -15.5608 -15.5556 -15.5550 -7.9380 -7.9379 -4.7146 -4.7131 -4.6890 -4.6855 -4.0565 -4.0549 -4.0469 -4.0450 -2.9659 -2.9657 -1.0110 -1.0101 -1.0012 -1.0011 -0.7574 -0.7572 -0.4441 -0.4432 -0.4342 -0.4334 -0.2438 -0.2342 -0.2218 -0.2143 -0.0644 -0.0589 0.6160 0.6187 1.4192 1.4245 1.6930 1.6990 1.7087 1.7099 9.2320 9.2323 9.2403 9.2407 10.2730 10.2746 11.4161 11.4187 11.4340 11.4344 k = 0.0833 0.0481 0.4569 ( 4568 PWs) bands (ev): -17.2050 -17.2047 -17.1886 -17.1885 -15.6255 -15.6253 -15.5941 -15.5932 -15.5623 -15.5610 -15.5564 -15.5557 -7.9209 -7.9208 -4.7350 -4.7333 -4.6982 -4.6943 -4.0446 -4.0423 -4.0331 -4.0305 -2.9727 -2.9724 -1.0245 -1.0233 -1.0122 -1.0119 -0.7542 -0.7540 -0.4591 -0.4577 -0.4491 -0.4486 -0.2256 -0.2146 -0.1966 -0.1880 -0.0512 -0.0450 0.6201 0.6233 1.4108 1.4169 1.6833 1.6906 1.7016 1.7031 9.2474 9.2479 9.2595 9.2601 10.2943 10.2963 11.4051 11.4082 11.4241 11.4246 k = 0.0972 0.0561 0.4569 ( 4574 PWs) bands (ev): -17.2038 -17.2036 -17.1815 -17.1814 -15.6372 -15.6371 -15.5948 -15.5937 -15.5627 -15.5612 -15.5573 -15.5565 -7.9008 -7.9008 -4.7582 -4.7564 -4.7084 -4.7040 -4.0315 -4.0286 -4.0171 -4.0139 -2.9806 -2.9802 -1.0399 -1.0384 -1.0250 -1.0246 -0.7504 -0.7502 -0.4728 -0.4706 -0.4627 -0.4626 -0.2085 -0.1969 -0.1703 -0.1612 -0.0354 -0.0288 0.6248 0.6284 1.4010 1.4080 1.6720 1.6803 1.6937 1.6954 9.2656 9.2661 9.2822 9.2828 10.3194 10.3217 11.3926 11.3963 11.4130 11.4137 k = 0.1111 0.0642 0.4569 ( 4568 PWs) bands (ev): -17.2025 -17.2022 -17.1734 -17.1733 -15.6506 -15.6505 -15.5955 -15.5943 -15.5631 -15.5614 -15.5583 -15.5574 -7.8778 -7.8778 -4.7839 -4.7820 -4.7194 -4.7146 -4.0175 -4.0142 -3.9991 -3.9956 -2.9895 -2.9891 -1.0567 -1.0551 -1.0396 -1.0391 -0.7459 -0.7459 -0.4852 -0.4821 -0.4753 -0.4747 -0.1923 -0.1805 -0.1435 -0.1341 -0.0175 -0.0105 0.6299 0.6340 1.3900 1.3977 1.6589 1.6680 1.6850 1.6868 9.2863 9.2869 9.3082 9.3089 10.3483 10.3509 11.3788 11.3829 11.4010 11.4019 k = 0.1250 0.0722 0.4569 ( 4576 PWs) bands (ev): -17.2011 -17.2008 -17.1643 -17.1642 -15.6657 -15.6655 -15.5963 -15.5950 -15.5636 -15.5616 -15.5595 -15.5584 -7.8520 -7.8520 -4.8119 -4.8100 -4.7308 -4.7258 -4.0028 -3.9991 -3.9797 -3.9759 -2.9995 -2.9990 -1.0748 -1.0730 -1.0558 -1.0551 -0.7411 -0.7411 -0.4965 -0.4925 -0.4863 -0.4852 -0.1768 -0.1650 -0.1163 -0.1067 0.0024 0.0095 0.6355 0.6400 1.3778 1.3863 1.6441 1.6539 1.6755 1.6773 9.3096 9.3103 9.3375 9.3383 10.3809 10.3838 11.3639 11.3685 11.3883 11.3894 k = 0.1389 0.0802 0.4569 ( 4578 PWs) bands (ev): -17.1995 -17.1991 -17.1542 -17.1540 -15.6822 -15.6820 -15.5972 -15.5958 -15.5641 -15.5619 -15.5607 -15.5594 -7.8235 -7.8235 -4.8420 -4.8401 -4.7426 -4.7374 -3.9876 -3.9837 -3.9589 -3.9549 -3.0105 -3.0099 -1.0938 -1.0919 -1.0734 -1.0726 -0.7360 -0.7358 -0.5068 -0.5024 -0.4953 -0.4941 -0.1615 -0.1500 -0.0892 -0.0795 0.0237 0.0307 0.6415 0.6464 1.3646 1.3736 1.6278 1.6382 1.6653 1.6670 9.3353 9.3361 9.3701 9.3709 10.4170 10.4203 11.3483 11.3532 11.3752 11.3763 k = 0.1528 0.0882 0.4569 ( 4588 PWs) bands (ev): -17.1978 -17.1974 -17.1430 -17.1429 -15.7003 -15.7001 -15.5981 -15.5966 -15.5646 -15.5624 -15.5618 -15.5606 -7.7924 -7.7923 -4.8741 -4.8722 -4.7546 -4.7492 -3.9721 -3.9680 -3.9370 -3.9330 -3.0224 -3.0217 -1.1134 -1.1115 -1.0922 -1.0912 -0.7306 -0.7303 -0.5161 -0.5116 -0.5024 -0.5016 -0.1462 -0.1350 -0.0622 -0.0524 0.0459 0.0529 0.6477 0.6530 1.3503 1.3599 1.6099 1.6208 1.6543 1.6560 9.3634 9.3642 9.4059 9.4068 10.4566 10.4603 11.3321 11.3374 11.3618 11.3630 k = 0.1667 0.0962 0.4569 ( 4576 PWs) bands (ev): -17.1959 -17.1955 -17.1309 -17.1307 -15.7197 -15.7195 -15.5991 -15.5975 -15.5653 -15.5634 -15.5625 -15.5617 -7.7588 -7.7587 -4.9078 -4.9060 -4.7667 -4.7612 -3.9564 -3.9522 -3.9144 -3.9104 -3.0351 -3.0343 -1.1335 -1.1315 -1.1120 -1.1109 -0.7252 -0.7247 -0.5243 -0.5199 -0.5079 -0.5076 -0.1306 -0.1197 -0.0356 -0.0258 0.0688 0.0756 0.6541 0.6597 1.3351 1.3452 1.5905 1.6018 1.6427 1.6443 9.3937 9.3945 9.4448 9.4457 10.4997 10.5037 11.3158 11.3213 11.3483 11.3496 k = 0.1806 0.1042 0.4569 ( 4564 PWs) bands (ev): -17.1940 -17.1936 -17.1178 -17.1176 -15.7404 -15.7402 -15.6002 -15.5984 -15.5660 -15.5648 -15.5630 -15.5628 -7.7227 -7.7227 -4.9433 -4.9415 -4.7786 -4.7731 -3.9407 -3.9363 -3.8911 -3.8871 -3.0486 -3.0477 -1.1537 -1.1517 -1.1325 -1.1314 -0.7199 -0.7192 -0.5311 -0.5268 -0.5126 -0.5123 -0.1145 -0.1039 -0.0096 0.0002 0.0919 0.0987 0.6607 0.6666 1.3192 1.3296 1.5698 1.5814 1.6305 1.6320 9.4261 9.4270 9.4867 9.4877 10.5461 10.5503 11.2994 11.3051 11.3348 11.3362 k = 0.1944 0.1123 0.4569 ( 4552 PWs) bands (ev): -17.1920 -17.1916 -17.1037 -17.1035 -15.7624 -15.7621 -15.6012 -15.5995 -15.5669 -15.5662 -15.5639 -15.5634 -7.6844 -7.6844 -4.9802 -4.9785 -4.7904 -4.7849 -3.9250 -3.9206 -3.8675 -3.8635 -3.0628 -3.0618 -1.1739 -1.1719 -1.1535 -1.1523 -0.7150 -0.7142 -0.5364 -0.5323 -0.5167 -0.5159 -0.0976 -0.0872 0.0156 0.0255 0.1151 0.1219 0.6675 0.6736 1.3025 1.3132 1.5477 1.5596 1.6178 1.6192 9.4605 9.4614 9.5315 9.5326 10.5957 10.6002 11.2833 11.2892 11.3216 11.3231 k = 0.2083 0.1203 0.4569 ( 4556 PWs) bands (ev): -17.1899 -17.1895 -17.0888 -17.0886 -15.7855 -15.7852 -15.6024 -15.6005 -15.5679 -15.5677 -15.5648 -15.5639 -7.6440 -7.6440 -5.0186 -5.0170 -4.8020 -4.7964 -3.9095 -3.9050 -3.8436 -3.8397 -3.0776 -3.0764 -1.1940 -1.1920 -1.1748 -1.1736 -0.7108 -0.7098 -0.5400 -0.5359 -0.5201 -0.5189 -0.0798 -0.0697 0.0400 0.0498 0.1382 0.1449 0.6743 0.6807 1.2851 1.2960 1.5244 1.5364 1.6046 1.6060 9.4966 9.4976 9.5791 9.5803 10.6483 10.6532 11.2676 11.2738 11.3086 11.3101 k = 0.2222 0.1283 0.4569 ( 4560 PWs) bands (ev): -17.1877 -17.1873 -17.0730 -17.0727 -15.8096 -15.8093 -15.6036 -15.6017 -15.5692 -15.5691 -15.5656 -15.5644 -7.6016 -7.6016 -5.0583 -5.0567 -4.8132 -4.8077 -3.8943 -3.8897 -3.8196 -3.8159 -3.0928 -3.0916 -1.2136 -1.2117 -1.1961 -1.1949 -0.7074 -0.7062 -0.5416 -0.5376 -0.5230 -0.5214 -0.0611 -0.0511 0.0632 0.0729 0.1609 0.1676 0.6813 0.6878 1.2673 1.2783 1.4999 1.5121 1.5911 1.5924 9.5344 9.5355 9.6294 9.6306 10.7038 10.7090 11.2526 11.2589 11.2960 11.2975 k = 0.2361 0.1363 0.4569 ( 4556 PWs) bands (ev): -17.1856 -17.1851 -17.0563 -17.0561 -15.8346 -15.8343 -15.6048 -15.6029 -15.5706 -15.5703 -15.5663 -15.5649 -7.5574 -7.5574 -5.0992 -5.0978 -4.8240 -4.8186 -3.8793 -3.8747 -3.7958 -3.7922 -3.1085 -3.1071 -1.2328 -1.2310 -1.2173 -1.2161 -0.7050 -0.7038 -0.5412 -0.5372 -0.5255 -0.5236 -0.0413 -0.0314 0.0851 0.0947 0.1832 0.1900 0.6884 0.6950 1.2490 1.2601 1.4744 1.4866 1.5774 1.5786 9.5737 9.5748 9.6822 9.6835 10.7621 10.7675 11.2384 11.2449 11.2837 11.2853 k = 0.2500 0.1443 0.4569 ( 4544 PWs) bands (ev): -17.1833 -17.1829 -17.0389 -17.0386 -15.8604 -15.8601 -15.6060 -15.6041 -15.5721 -15.5717 -15.5670 -15.5654 -7.5116 -7.5115 -5.1413 -5.1399 -4.8344 -4.8291 -3.8646 -3.8601 -3.7721 -3.7687 -3.1245 -3.1229 -1.2513 -1.2497 -1.2381 -1.2369 -0.7039 -0.7026 -0.5387 -0.5346 -0.5277 -0.5257 -0.0204 -0.0106 0.1055 0.1150 0.2049 0.2119 0.6956 0.7024 1.2304 1.2415 1.4480 1.4601 1.5635 1.5647 9.6143 9.6155 9.7373 9.7386 10.8230 10.8286 11.2252 11.2319 11.2718 11.2735 k = 0.2639 0.1524 0.4569 ( 4552 PWs) bands (ev): -17.1811 -17.1807 -17.0207 -17.0204 -15.8870 -15.8866 -15.6072 -15.6054 -15.5735 -15.5730 -15.5676 -15.5659 -7.4643 -7.4642 -5.1844 -5.1831 -4.8443 -4.8392 -3.8504 -3.8459 -3.7489 -3.7457 -3.1406 -3.1390 -1.2692 -1.2677 -1.2584 -1.2573 -0.7038 -0.7026 -0.5348 -0.5300 -0.5291 -0.5277 0.0014 0.0113 0.1243 0.1336 0.2260 0.2331 0.7030 0.7098 1.2117 1.2226 1.4207 1.4328 1.5496 1.5506 9.6560 9.6572 9.7946 9.7960 10.8863 10.8919 11.2131 11.2202 11.2602 11.2620 k = 0.2778 0.1604 0.4569 ( 4560 PWs) bands (ev): -17.1789 -17.1785 -17.0018 -17.0016 -15.9141 -15.9137 -15.6085 -15.6066 -15.5749 -15.5744 -15.5682 -15.5665 -7.4158 -7.4157 -5.2284 -5.2273 -4.8537 -4.8488 -3.8366 -3.8321 -3.7262 -3.7232 -3.1568 -3.1551 -1.2862 -1.2850 -1.2779 -1.2770 -0.7048 -0.7036 -0.5337 -0.5298 -0.5257 -0.5234 0.0242 0.0341 0.1414 0.1504 0.2464 0.2537 0.7107 0.7174 1.1929 1.2037 1.3927 1.4047 1.5356 1.5366 9.6986 9.6998 9.8538 9.8553 10.9516 10.9570 11.2023 11.2101 11.2489 11.2508 k = 0.2917 0.1684 0.4569 ( 4560 PWs) bands (ev): -17.1767 -17.1763 -16.9824 -16.9821 -15.9416 -15.9413 -15.6098 -15.6079 -15.5763 -15.5757 -15.5688 -15.5670 -7.3662 -7.3661 -5.2732 -5.2722 -4.8626 -4.8579 -3.8232 -3.8188 -3.7042 -3.7013 -3.1730 -3.1712 -1.3024 -1.3016 -1.2965 -1.2959 -0.7066 -0.7055 -0.5355 -0.5319 -0.5179 -0.5152 0.0478 0.0579 0.1566 0.1654 0.2660 0.2736 0.7186 0.7252 1.1741 1.1847 1.3642 1.3759 1.5218 1.5228 9.7417 9.7430 9.9148 9.9163 11.0185 11.0231 11.1932 11.2022 11.2377 11.2399 k = 0.3056 0.1764 0.4569 ( 4564 PWs) bands (ev): -17.1746 -17.1741 -16.9624 -16.9621 -15.9695 -15.9691 -15.6110 -15.6092 -15.5776 -15.5769 -15.5693 -15.5676 -7.3158 -7.3157 -5.3187 -5.3177 -4.8709 -4.8664 -3.8103 -3.8060 -3.6829 -3.6803 -3.1890 -3.1871 -1.3177 -1.3176 -1.3140 -1.3138 -0.7091 -0.7080 -0.5376 -0.5341 -0.5083 -0.5057 0.0723 0.0826 0.1699 0.1783 0.2847 0.2926 0.7267 0.7332 1.1556 1.1659 1.3353 1.3468 1.5083 1.5091 9.7852 9.7865 9.9772 9.9787 11.0855 11.0875 11.1868 11.1990 11.2266 11.2292 k = 0.3194 0.1844 0.4569 ( 4556 PWs) bands (ev): -17.1725 -17.1721 -16.9419 -16.9417 -15.9975 -15.9971 -15.6123 -15.6105 -15.5788 -15.5782 -15.5698 -15.5681 -7.2648 -7.2647 -5.3646 -5.3637 -4.8786 -4.8744 -3.7979 -3.7937 -3.6626 -3.6601 -3.2048 -3.2028 -1.3336 -1.3321 -1.3308 -1.3293 -0.7120 -0.7110 -0.5399 -0.5364 -0.4976 -0.4952 0.0973 0.1078 0.1812 0.1893 0.3025 0.3108 0.7352 0.7414 1.1374 1.1474 1.3061 1.3173 1.4950 1.4958 9.8288 9.8301 10.0408 10.0423 11.1386 11.1435 11.1905 11.2122 11.2153 11.2201 k = 0.3333 0.1925 0.4569 ( 4560 PWs) bands (ev): -17.1705 -17.1701 -16.9212 -16.9209 -16.0255 -16.0251 -15.6135 -15.6118 -15.5799 -15.5793 -15.5703 -15.5687 -7.2137 -7.2136 -5.4107 -5.4099 -4.8858 -4.8818 -3.7861 -3.7820 -3.6433 -3.6410 -3.2201 -3.2181 -1.3491 -1.3472 -1.3450 -1.3432 -0.7152 -0.7143 -0.5422 -0.5388 -0.4862 -0.4839 0.1227 0.1336 0.1905 0.1983 0.3192 0.3280 0.7439 0.7498 1.1196 1.1294 1.2769 1.2878 1.4822 1.4829 9.8721 9.8734 10.1052 10.1068 11.1560 11.1598 11.2019 11.2036 11.2474 11.2617 k = 0.3472 0.2005 0.4569 ( 4570 PWs) bands (ev): -17.1686 -17.1682 -16.9002 -16.8999 -16.0533 -16.0529 -15.6146 -15.6131 -15.5810 -15.5804 -15.5707 -15.5692 -7.1626 -7.1625 -5.4569 -5.4562 -4.8924 -4.8887 -3.7748 -3.7709 -3.6250 -3.6230 -3.2350 -3.2330 -1.3637 -1.3621 -1.3573 -1.3557 -0.7184 -0.7176 -0.5445 -0.5412 -0.4744 -0.4723 0.1483 0.1596 0.1981 0.2054 0.3349 0.3441 0.7527 0.7583 1.1025 1.1120 1.2479 1.2584 1.4698 1.4705 9.9148 9.9160 10.1701 10.1718 11.1573 11.1585 11.1913 11.1916 11.3158 11.3296 k = 0.3611 0.2085 0.4569 ( 4574 PWs) bands (ev): -17.1668 -17.1664 -16.8792 -16.8789 -16.0807 -16.0804 -15.6157 -15.6143 -15.5819 -15.5814 -15.5711 -15.5697 -7.1121 -7.1119 -5.5026 -5.5020 -4.8984 -4.8950 -3.7642 -3.7604 -3.6081 -3.6062 -3.2492 -3.2472 -1.3772 -1.3757 -1.3685 -1.3671 -0.7217 -0.7210 -0.5469 -0.5437 -0.4624 -0.4604 0.1737 0.1855 0.2041 0.2110 0.3494 0.3591 0.7617 0.7668 1.0861 1.0953 1.2192 1.2293 1.4581 1.4586 9.9564 9.9577 10.2351 10.2368 11.1558 11.1559 11.1782 11.1790 11.3888 11.4020 k = 0.3750 0.2165 0.4569 ( 4578 PWs) bands (ev): -17.1651 -17.1647 -16.8584 -16.8581 -16.1075 -16.1071 -15.6168 -15.6154 -15.5828 -15.5823 -15.5715 -15.5702 -7.0625 -7.0623 -5.5477 -5.5472 -4.9038 -4.9007 -3.7542 -3.7507 -3.5924 -3.5907 -3.2626 -3.2606 -1.3895 -1.3882 -1.3786 -1.3775 -0.7248 -0.7242 -0.5491 -0.5461 -0.4504 -0.4486 0.1977 0.2056 0.2141 0.2162 0.3626 0.3728 0.7705 0.7752 1.0708 1.0796 1.1912 1.2009 1.4470 1.4475 9.9966 9.9978 10.2998 10.3014 11.1533 11.1538 11.1647 11.1658 11.4628 11.4757 k = 0.3889 0.2245 0.4569 ( 4570 PWs) bands (ev): -17.1635 -17.1632 -16.8379 -16.8377 -16.1333 -16.1330 -15.6177 -15.6165 -15.5836 -15.5832 -15.5719 -15.5707 -7.0144 -7.0142 -5.5916 -5.5911 -4.9086 -4.9058 -3.7450 -3.7417 -3.5781 -3.5767 -3.2751 -3.2732 -1.4006 -1.3994 -1.3877 -1.3867 -0.7278 -0.7272 -0.5513 -0.5485 -0.4388 -0.4372 0.2096 0.2119 0.2292 0.2382 0.3744 0.3852 0.7792 0.7834 1.0566 1.0651 1.1641 1.1735 1.4367 1.4371 10.0349 10.0360 10.3636 10.3652 11.1458 11.1458 11.1564 11.1571 11.5362 11.5485 k = 0.4028 0.2325 0.4569 ( 4574 PWs) bands (ev): -17.1621 -17.1618 -16.8182 -16.8179 -16.1579 -16.1576 -15.6186 -15.6175 -15.5843 -15.5839 -15.5721 -15.5711 -6.9684 -6.9683 -5.6337 -5.6333 -4.9128 -4.9103 -3.7365 -3.7335 -3.5654 -3.5641 -3.2866 -3.2848 -1.4103 -1.4093 -1.3956 -1.3948 -0.7305 -0.7300 -0.5533 -0.5508 -0.4278 -0.4264 0.2113 0.2148 0.2516 0.2628 0.3847 0.3959 0.7875 0.7912 1.0438 1.0520 1.1383 1.1473 1.4273 1.4277 10.0706 10.0717 10.4258 10.4274 11.1295 11.1300 11.1559 11.1561 11.6048 11.6142 k = 0.4167 0.2406 0.4569 ( 4574 PWs) bands (ev): -17.1609 -17.1606 -16.7995 -16.7993 -16.1809 -16.1806 -15.6194 -15.6184 -15.5849 -15.5846 -15.5724 -15.5715 -6.9253 -6.9252 -5.6733 -5.6730 -4.9164 -4.9143 -3.7289 -3.7262 -3.5541 -3.5530 -3.2969 -3.2952 -1.4188 -1.4179 -1.4025 -1.4018 -0.7329 -0.7325 -0.5552 -0.5529 -0.4177 -0.4164 0.2119 0.2152 0.2744 0.2862 0.3934 0.4050 0.7953 0.7985 1.0325 1.0405 1.1142 1.1227 1.4189 1.4192 10.1033 10.1043 10.4858 10.4874 11.1108 11.1115 11.1572 11.1573 11.6348 11.6355 k = 0.4306 0.2486 0.4569 ( 4570 PWs) bands (ev): -17.1598 -17.1596 -16.7823 -16.7820 -16.2018 -16.2015 -15.6200 -15.6192 -15.5854 -15.5851 -15.5726 -15.5718 -6.8860 -6.8860 -5.7095 -5.7093 -4.9194 -4.9176 -3.7222 -3.7199 -3.5445 -3.5436 -3.3058 -3.3044 -1.4260 -1.4252 -1.4084 -1.4078 -0.7349 -0.7346 -0.5568 -0.5548 -0.4086 -0.4075 0.2119 0.2148 0.2959 0.3079 0.4004 0.4122 0.8022 0.8049 1.0231 1.0307 1.0921 1.1002 1.4116 1.4118 10.1324 10.1333 10.5427 10.5442 11.0905 11.0913 11.1594 11.1595 11.6099 11.6099 k = 0.4444 0.2566 0.4569 ( 4562 PWs) bands (ev): -17.1589 -17.1587 -16.7670 -16.7668 -16.2200 -16.2198 -15.6205 -15.6199 -15.5858 -15.5856 -15.5727 -15.5721 -6.8516 -6.8515 -5.7415 -5.7413 -4.9218 -4.9204 -3.7165 -3.7146 -3.5366 -3.5358 -3.3133 -3.3121 -1.4318 -1.4312 -1.4131 -1.4126 -0.7367 -0.7364 -0.5581 -0.5565 -0.4007 -0.3999 0.2114 0.2138 0.3155 0.3273 0.4057 0.4173 0.8083 0.8104 1.0158 1.0230 1.0726 1.0802 1.4054 1.4056 10.1573 10.1581 10.5952 10.5965 11.0691 11.0699 11.1623 11.1625 11.5801 11.5804 k = 0.4583 0.2646 0.4569 ( 4558 PWs) bands (ev): -17.1582 -17.1580 -16.7543 -16.7541 -16.2351 -16.2350 -15.6209 -15.6204 -15.5861 -15.5859 -15.5728 -15.5724 -6.8231 -6.8230 -5.7680 -5.7678 -4.9237 -4.9226 -3.7120 -3.7105 -3.5303 -3.5298 -3.3193 -3.3183 -1.4363 -1.4359 -1.4168 -1.4164 -0.7380 -0.7378 -0.5591 -0.5579 -0.3944 -0.3937 0.2109 0.2127 0.3327 0.3435 0.4095 0.4202 0.8133 0.8149 1.0107 1.0174 1.0562 1.0631 1.4005 1.4006 10.1774 10.1780 10.6416 10.6428 11.0477 11.0485 11.1655 11.1656 11.5545 11.5549 k = 0.4722 0.2726 0.4569 ( 4558 PWs) bands (ev): -17.1577 -17.1576 -16.7446 -16.7445 -16.2464 -16.2463 -15.6212 -15.6209 -15.5863 -15.5862 -15.5729 -15.5726 -6.8016 -6.8016 -5.7880 -5.7879 -4.9250 -4.9242 -3.7086 -3.7076 -3.5258 -3.5254 -3.3236 -3.3229 -1.4395 -1.4392 -1.4194 -1.4192 -0.7390 -0.7389 -0.5598 -0.5590 -0.3897 -0.3893 0.2104 0.2116 0.3468 0.3556 0.4123 0.4209 0.8170 0.8181 1.0080 1.0136 1.0436 1.0494 1.3970 1.3970 10.1922 10.1926 10.6794 10.6803 11.0284 11.0290 11.1683 11.1685 11.5350 11.5353 k = 0.4861 0.2807 0.4569 ( 4568 PWs) bands (ev): -17.1573 -17.1573 -16.7386 -16.7385 -16.2535 -16.2534 -15.6213 -15.6212 -15.5865 -15.5864 -15.5729 -15.5727 -6.7883 -6.7883 -5.8004 -5.8004 -4.9257 -4.9253 -3.7064 -3.7059 -3.5231 -3.5229 -3.3261 -3.3258 -1.4414 -1.4413 -1.4209 -1.4208 -0.7396 -0.7395 -0.5601 -0.5597 -0.3868 -0.3866 0.2102 0.2108 0.3571 0.3621 0.4148 0.4198 0.8194 0.8199 1.0077 1.0112 1.0361 1.0397 1.3948 1.3948 10.2013 10.2015 10.7050 10.7055 11.0143 11.0146 11.1704 11.1705 11.5228 11.5230 k = 0.5000 0.2887 0.4569 ( 4568 PWs) bands (ev): -17.1572 -17.1572 -16.7365 -16.7365 -16.2558 -16.2558 -15.6213 -15.6213 -15.5865 -15.5865 -15.5728 -15.5728 -6.7838 -6.7838 -5.8046 -5.8046 -4.9258 -4.9258 -3.7055 -3.7055 -3.5221 -3.5221 -3.3269 -3.3269 -1.4420 -1.4420 -1.4214 -1.4214 -0.7397 -0.7397 -0.5601 -0.5601 -0.3857 -0.3857 0.2103 0.2103 0.3625 0.3625 0.4174 0.4174 0.8203 0.8203 1.0091 1.0091 1.0349 1.0349 1.3941 1.3941 10.2045 10.2045 10.7144 10.7144 11.0091 11.0091 11.1711 11.1711 11.5188 11.5188 k = 0.5000 0.2887 0.4569 ( 4568 PWs) bands (ev): -17.1572 -17.1572 -16.7365 -16.7365 -16.2558 -16.2558 -15.6213 -15.6213 -15.5865 -15.5865 -15.5728 -15.5728 -6.7838 -6.7838 -5.8046 -5.8046 -4.9258 -4.9258 -3.7055 -3.7055 -3.5221 -3.5221 -3.3269 -3.3269 -1.4420 -1.4420 -1.4214 -1.4214 -0.7397 -0.7397 -0.5601 -0.5601 -0.3857 -0.3857 0.2103 0.2103 0.3625 0.3625 0.4174 0.4174 0.8203 0.8203 1.0091 1.0091 1.0349 1.0349 1.3941 1.3941 10.2045 10.2045 10.7144 10.7144 11.0091 11.0091 11.1711 11.1711 11.5188 11.5188 k = 0.4921 0.3024 0.4569 ( 4572 PWs) bands (ev): -17.1572 -17.1571 -16.7360 -16.7359 -16.2565 -16.2564 -15.6214 -15.6213 -15.5866 -15.5865 -15.5729 -15.5728 -6.7824 -6.7823 -5.8055 -5.8051 -4.9271 -4.9267 -3.7048 -3.7047 -3.5222 -3.5221 -3.3271 -3.3270 -1.4447 -1.4428 -1.4200 -1.4181 -0.7422 -0.7419 -0.5584 -0.5580 -0.3856 -0.3855 0.2041 0.2054 0.3674 0.3689 0.4182 0.4185 0.8205 0.8205 1.0090 1.0092 1.0336 1.0344 1.3926 1.3937 10.2031 10.2040 10.7165 10.7174 11.0097 11.0098 11.1725 11.1727 11.5186 11.5187 k = 0.4841 0.3162 0.4569 ( 4568 PWs) bands (ev): -17.1570 -17.1569 -16.7345 -16.7343 -16.2583 -16.2581 -15.6215 -15.6213 -15.5868 -15.5865 -15.5732 -15.5729 -6.7783 -6.7780 -5.8077 -5.8070 -4.9305 -4.9299 -3.7027 -3.7024 -3.5225 -3.5223 -3.3277 -3.3275 -1.4489 -1.4464 -1.4146 -1.4119 -0.7490 -0.7485 -0.5532 -0.5524 -0.3850 -0.3848 0.1891 0.1912 0.3816 0.3844 0.4209 0.4214 0.8209 0.8209 1.0091 1.0092 1.0306 1.0321 1.3894 1.3915 10.2001 10.2018 10.7237 10.7255 11.0117 11.0118 11.1767 11.1771 11.5182 11.5183 k = 0.4762 0.3299 0.4569 ( 4570 PWs) bands (ev): -17.1566 -17.1565 -16.7319 -16.7316 -16.2614 -16.2610 -15.6217 -15.6215 -15.5870 -15.5867 -15.5735 -15.5731 -6.7713 -6.7708 -5.8114 -5.8104 -4.9361 -4.9352 -3.6991 -3.6988 -3.5230 -3.5227 -3.3287 -3.3283 -1.4536 -1.4508 -1.4071 -1.4042 -0.7595 -0.7589 -0.5451 -0.5439 -0.3840 -0.3836 0.1686 0.1713 0.4013 0.4054 0.4260 0.4262 0.8215 0.8216 1.0091 1.0091 1.0262 1.0281 1.3843 1.3875 10.1956 10.1980 10.7358 10.7384 11.0150 11.0152 11.1838 11.1845 11.5176 11.5177 k = 0.4683 0.3437 0.4569 ( 4566 PWs) bands (ev): -17.1562 -17.1560 -16.7283 -16.7279 -16.2656 -16.2652 -15.6219 -15.6216 -15.5874 -15.5869 -15.5739 -15.5734 -6.7616 -6.7609 -5.8166 -5.8152 -4.9437 -4.9424 -3.6942 -3.6938 -3.5237 -3.5233 -3.3301 -3.3296 -1.4581 -1.4554 -1.3983 -1.3954 -0.7728 -0.7721 -0.5349 -0.5335 -0.3825 -0.3820 0.1453 0.1482 0.4211 0.4278 0.4345 0.4360 0.8224 0.8225 1.0082 1.0091 1.0210 1.0225 1.3775 1.3817 10.1900 10.1931 10.7524 10.7556 11.0197 11.0198 11.1937 11.1946 11.5166 11.5168 k = 0.4603 0.3574 0.4569 ( 4566 PWs) bands (ev): -17.1556 -17.1554 -16.7236 -16.7231 -16.2711 -16.2705 -15.6222 -15.6219 -15.5878 -15.5872 -15.5744 -15.5738 -6.7491 -6.7483 -5.8233 -5.8216 -4.9529 -4.9514 -3.6882 -3.6877 -3.5245 -3.5240 -3.3318 -3.3311 -1.4625 -1.4599 -1.3883 -1.3855 -0.7883 -0.7876 -0.5234 -0.5218 -0.3805 -0.3799 0.1204 0.1236 0.4339 0.4392 0.4566 0.4572 0.8235 0.8236 1.0046 1.0084 1.0160 1.0170 1.3688 1.3740 10.1838 10.1873 10.7728 10.7765 11.0256 11.0258 11.2065 11.2076 11.5153 11.5155 k = 0.4524 0.3712 0.4569 ( 4570 PWs) bands (ev): -17.1550 -17.1548 -16.7179 -16.7173 -16.2777 -16.2770 -15.6226 -15.6222 -15.5882 -15.5876 -15.5750 -15.5742 -6.7339 -6.7329 -5.8317 -5.8297 -4.9636 -4.9619 -3.6811 -3.6805 -3.5255 -3.5249 -3.3338 -3.3330 -1.4666 -1.4641 -1.3774 -1.3748 -0.8054 -0.8048 -0.5110 -0.5093 -0.3780 -0.3772 0.0948 0.0981 0.4441 0.4490 0.4825 0.4841 0.8249 0.8249 0.9967 1.0032 1.0126 1.0158 1.3583 1.3644 10.1773 10.1812 10.7966 10.8007 11.0328 11.0331 11.2221 11.2234 11.5136 11.5138 k = 0.4444 0.3849 0.4569 ( 4570 PWs) bands (ev): -17.1542 -17.1540 -16.7111 -16.7104 -16.2855 -16.2847 -15.6230 -15.6226 -15.5886 -15.5879 -15.5756 -15.5748 -6.7160 -6.7149 -5.8419 -5.8397 -4.9755 -4.9735 -3.6731 -3.6724 -3.5266 -3.5260 -3.3360 -3.3352 -1.4705 -1.4682 -1.3655 -1.3631 -0.8238 -0.8233 -0.4983 -0.4965 -0.3749 -0.3740 0.0690 0.0723 0.4550 0.4600 0.5098 0.5118 0.8263 0.8264 0.9860 0.9933 1.0127 1.0162 1.3461 1.3530 10.1709 10.1750 10.8232 10.8276 11.0413 11.0416 11.2404 11.2418 11.5114 11.5116 k = 0.4365 0.3986 0.4569 ( 4566 PWs) bands (ev): -17.1534 -17.1531 -16.7032 -16.7024 -16.2944 -16.2936 -15.6235 -15.6230 -15.5891 -15.5882 -15.5764 -15.5754 -6.6956 -6.6944 -5.8541 -5.8516 -4.9881 -4.9860 -3.6644 -3.6636 -3.5278 -3.5272 -3.3386 -3.3377 -1.4742 -1.4722 -1.3527 -1.3505 -0.8432 -0.8428 -0.4854 -0.4835 -0.3712 -0.3701 0.0431 0.0465 0.4671 0.4724 0.5376 0.5399 0.8279 0.8280 0.9735 0.9813 1.0135 1.0173 1.3321 1.3398 10.1649 10.1692 10.8521 10.8566 11.0510 11.0513 11.2613 11.2630 11.5086 11.5088 k = 0.4286 0.4124 0.4569 ( 4550 PWs) bands (ev): -17.1525 -17.1522 -16.6942 -16.6934 -16.3045 -16.3036 -15.6241 -15.6235 -15.5894 -15.5885 -15.5771 -15.5760 -6.6726 -6.6713 -5.8684 -5.8657 -5.0013 -4.9990 -3.6551 -3.6543 -3.5291 -3.5285 -3.3413 -3.3403 -1.4777 -1.4759 -1.3389 -1.3370 -0.8633 -0.8630 -0.4726 -0.4707 -0.3667 -0.3655 0.0173 0.0208 0.4804 0.4861 0.5656 0.5680 0.8296 0.8297 0.9596 0.9680 1.0147 1.0188 1.3164 1.3249 10.1595 10.1638 10.8827 10.8873 11.0619 11.0622 11.2849 11.2867 11.5051 11.5053 k = 0.4206 0.4261 0.4569 ( 4566 PWs) bands (ev): -17.1516 -17.1513 -16.6842 -16.6833 -16.3158 -16.3148 -15.6246 -15.6241 -15.5898 -15.5887 -15.5780 -15.5768 -6.6473 -6.6458 -5.8849 -5.8820 -5.0145 -5.0122 -3.6455 -3.6447 -3.5306 -3.5299 -3.3443 -3.3432 -1.4810 -1.4795 -1.3243 -1.3227 -0.8840 -0.8840 -0.4601 -0.4582 -0.3615 -0.3601 -0.0081 -0.0046 0.4949 0.5009 0.5935 0.5960 0.8313 0.8313 0.9445 0.9535 1.0162 1.0206 1.2991 1.3082 10.1549 10.1591 10.9144 10.9190 11.0738 11.0742 11.3110 11.3130 11.5008 11.5010 k = 0.4127 0.4399 0.4569 ( 4566 PWs) bands (ev): -17.1506 -17.1504 -16.6731 -16.6721 -16.3281 -16.3271 -15.6252 -15.6247 -15.5900 -15.5889 -15.5789 -15.5776 -6.6195 -6.6179 -5.9038 -5.9008 -5.0275 -5.0252 -3.6356 -3.6348 -3.5322 -3.5315 -3.3473 -3.3462 -1.4842 -1.4828 -1.3088 -1.3075 -0.9054 -0.9052 -0.4481 -0.4462 -0.3555 -0.3540 -0.0332 -0.0296 0.5105 0.5169 0.6212 0.6237 0.8329 0.8330 0.9286 0.9379 1.0182 1.0229 1.2801 1.2898 10.1512 10.1553 10.9469 10.9513 11.0869 11.0873 11.3395 11.3417 11.4957 11.4958 k = 0.4048 0.4536 0.4569 ( 4562 PWs) bands (ev): -17.1497 -17.1494 -16.6609 -16.6599 -16.3416 -16.3405 -15.6258 -15.6253 -15.5902 -15.5889 -15.5798 -15.5784 -6.5896 -6.5878 -5.9253 -5.9222 -5.0400 -5.0378 -3.6257 -3.6249 -3.5339 -3.5332 -3.3504 -3.3493 -1.4872 -1.4860 -1.2926 -1.2916 -0.9271 -0.9268 -0.4365 -0.4347 -0.3486 -0.3470 -0.0578 -0.0542 0.5270 0.5339 0.6485 0.6509 0.8345 0.8346 0.9119 0.9217 1.0205 1.0256 1.2597 1.2699 10.1485 10.1523 10.9795 10.9837 11.1009 11.1013 11.3703 11.3727 11.4894 11.4895 k = 0.3968 0.4674 0.4569 ( 4560 PWs) bands (ev): -17.1488 -17.1486 -16.6477 -16.6466 -16.3561 -16.3550 -15.6265 -15.6259 -15.5903 -15.5889 -15.5807 -15.5792 -6.5574 -6.5556 -5.9493 -5.9462 -5.0517 -5.0495 -3.6160 -3.6151 -3.5357 -3.5350 -3.3535 -3.3524 -1.4900 -1.4890 -1.2756 -1.2749 -0.9492 -0.9487 -0.4257 -0.4239 -0.3409 -0.3391 -0.0818 -0.0782 0.5445 0.5518 0.6749 0.6772 0.8358 0.8360 0.8948 0.9049 1.0233 1.0287 1.2378 1.2485 10.1466 10.1501 11.0117 11.0156 11.1157 11.1162 11.4032 11.4058 11.4821 11.4821 k = 0.3889 0.4811 0.4569 ( 4556 PWs) bands (ev): -17.1480 -17.1477 -16.6334 -16.6323 -16.3716 -16.3705 -15.6270 -15.6265 -15.5904 -15.5888 -15.5817 -15.5800 -6.5233 -6.5213 -5.9761 -5.9730 -5.0624 -5.0603 -3.6065 -3.6056 -3.5375 -3.5370 -3.3566 -3.3555 -1.4926 -1.4918 -1.2580 -1.2576 -0.9714 -0.9707 -0.4156 -0.4139 -0.3322 -0.3302 -0.1052 -0.1016 0.5629 0.5705 0.7001 0.7022 0.8370 0.8373 0.8778 0.8882 1.0266 1.0324 1.2148 1.2258 10.1456 10.1488 11.0430 11.0466 11.1312 11.1317 11.4378 11.4408 11.4734 11.4736 k = 0.3810 0.4949 0.4569 ( 4564 PWs) bands (ev): -17.1472 -17.1470 -16.6181 -16.6169 -16.3881 -16.3870 -15.6276 -15.6271 -15.5903 -15.5887 -15.5826 -15.5809 -6.4872 -6.4851 -6.0056 -6.0025 -5.0718 -5.0699 -3.5973 -3.5965 -3.5396 -3.5391 -3.3595 -3.3585 -1.4950 -1.4944 -1.2398 -1.2397 -0.9936 -0.9927 -0.4063 -0.4047 -0.3226 -0.3205 -0.1279 -0.1243 0.5819 0.5898 0.7230 0.7251 0.8377 0.8383 0.8619 0.8722 1.0304 1.0365 1.1909 1.2021 10.1453 10.1481 11.0729 11.0762 11.1470 11.1476 11.4629 11.4633 11.4747 11.4773 k = 0.3730 0.5086 0.4569 ( 4564 PWs) bands (ev): -17.1465 -17.1463 -16.6017 -16.6006 -16.4056 -16.4044 -15.6281 -15.6277 -15.5901 -15.5884 -15.5835 -15.5817 -6.4493 -6.4472 -6.0378 -6.0348 -5.0798 -5.0782 -3.5888 -3.5880 -3.5417 -3.5414 -3.3622 -3.3613 -1.4971 -1.4966 -1.2213 -1.2211 -1.0159 -1.0148 -0.3980 -0.3966 -0.3120 -0.3097 -0.1498 -0.1463 0.6015 0.6097 0.7419 0.7440 0.8374 0.8389 0.8494 0.8587 1.0348 1.0413 1.1663 1.1777 10.1457 10.1481 11.1009 11.1038 11.1628 11.1634 11.4521 11.4521 11.5114 11.5149 k = 0.3651 0.5224 0.4569 ( 4556 PWs) bands (ev): -17.1459 -17.1457 -16.5843 -16.5832 -16.4239 -16.4227 -15.6285 -15.6282 -15.5899 -15.5881 -15.5844 -15.5825 -6.4097 -6.4075 -6.0727 -6.0698 -5.0863 -5.0850 -3.5808 -3.5801 -3.5441 -3.5439 -3.3646 -3.3638 -1.4989 -1.4986 -1.2024 -1.2019 -1.0380 -1.0367 -0.3908 -0.3895 -0.3004 -0.2980 -0.1709 -0.1675 0.6215 0.6301 0.7527 0.7558 0.8353 0.8387 0.8445 0.8508 1.0398 1.0466 1.1418 1.1531 10.1465 10.1485 11.1266 11.1291 11.1780 11.1787 11.4398 11.4400 11.5488 11.5530 k = 0.3571 0.5361 0.4569 ( 4552 PWs) bands (ev): -17.1454 -17.1453 -16.5659 -16.5648 -16.4431 -16.4419 -15.6288 -15.6286 -15.5896 -15.5877 -15.5852 -15.5832 -6.3685 -6.3663 -6.1102 -6.1074 -5.0913 -5.0903 -3.5736 -3.5730 -3.5467 -3.5466 -3.3666 -3.3660 -1.5004 -1.5002 -1.1832 -1.1825 -1.0599 -1.0583 -0.3849 -0.3838 -0.2878 -0.2853 -0.1911 -0.1878 0.6419 0.6507 0.7517 0.7567 0.8358 0.8380 0.8462 0.8515 1.0454 1.0526 1.1180 1.1290 10.1476 10.1491 11.1495 11.1517 11.1914 11.1921 11.4272 11.4274 11.5860 11.5910 k = 0.3492 0.5499 0.4569 ( 4556 PWs) bands (ev): -17.1450 -17.1449 -16.5466 -16.5454 -16.4630 -16.4619 -15.6291 -15.6289 -15.5893 -15.5873 -15.5859 -15.5838 -6.3260 -6.3236 -6.1501 -6.1475 -5.0948 -5.0941 -3.5673 -3.5667 -3.5497 -3.5493 -3.3681 -3.3677 -1.5015 -1.5014 -1.1638 -1.1628 -1.0813 -1.0795 -0.3803 -0.3794 -0.2743 -0.2717 -0.2101 -0.2071 0.6624 0.6715 0.7406 0.7474 0.8375 0.8380 0.8534 0.8578 1.0515 1.0592 1.0964 1.1066 10.1488 10.1498 11.1694 11.1712 11.2013 11.2022 11.4154 11.4157 11.6222 11.6283 k = 0.3413 0.5636 0.4569 ( 4544 PWs) bands (ev): -17.1448 -17.1447 -16.5263 -16.5251 -16.4837 -16.4826 -15.6292 -15.6291 -15.5891 -15.5869 -15.5865 -15.5843 -6.2821 -6.2797 -6.1924 -6.1899 -5.0968 -5.0965 -3.5620 -3.5616 -3.5530 -3.5522 -3.3691 -3.3688 -1.5022 -1.5022 -1.1444 -1.1435 -1.1019 -1.0997 -0.3772 -0.3767 -0.2600 -0.2572 -0.2278 -0.2252 0.6828 0.6921 0.7242 0.7319 0.8380 0.8380 0.8621 0.8646 1.0577 1.0664 1.0794 1.0877 10.1498 10.1503 11.1860 11.1874 11.2050 11.2061 11.4066 11.4068 11.6567 11.6644 k = 0.3333 0.5774 0.4569 ( 4536 PWs) bands (ev): -17.1447 -17.1447 -16.5064 -16.5041 -16.5038 -16.5038 -15.6292 -15.6292 -15.5889 -15.5867 -15.5867 -15.5845 -6.2395 -6.2347 -6.2345 -6.2345 -5.0973 -5.0973 -3.5590 -3.5590 -3.5553 -3.5540 -3.3693 -3.3693 -1.5025 -1.5025 -1.1298 -1.1298 -1.1171 -1.1136 -0.3760 -0.3760 -0.2473 -0.2423 -0.2415 -0.2415 0.6985 0.7094 0.7094 0.7161 0.8380 0.8380 0.8668 0.8668 1.0611 1.0725 1.0725 1.0765 10.1503 10.1503 11.1982 11.1982 11.2002 11.2026 11.4032 11.4032 11.6812 11.6950 k = 0.3333 0.5774 0.4569 ( 4536 PWs) bands (ev): -17.1447 -17.1447 -16.5064 -16.5041 -16.5038 -16.5038 -15.6292 -15.6292 -15.5889 -15.5867 -15.5867 -15.5845 -6.2395 -6.2347 -6.2345 -6.2345 -5.0973 -5.0973 -3.5590 -3.5590 -3.5553 -3.5540 -3.3693 -3.3693 -1.5025 -1.5025 -1.1298 -1.1298 -1.1171 -1.1136 -0.3760 -0.3760 -0.2473 -0.2423 -0.2415 -0.2415 0.6985 0.7094 0.7094 0.7161 0.8380 0.8380 0.8668 0.8668 1.0611 1.0725 1.0725 1.0765 10.1503 10.1503 11.1982 11.1982 11.2002 11.2026 11.4032 11.4032 11.6812 11.6950 k = 0.3254 0.5636 0.4569 ( 4552 PWs) bands (ev): -17.1448 -17.1447 -16.5270 -16.5259 -16.4829 -16.4818 -15.6292 -15.6291 -15.5891 -15.5868 -15.5866 -15.5843 -6.2835 -6.2813 -6.1908 -6.1885 -5.0968 -5.0965 -3.5619 -3.5612 -3.5533 -3.5524 -3.3691 -3.3688 -1.5022 -1.5022 -1.1443 -1.1430 -1.1023 -1.0998 -0.3774 -0.3768 -0.2593 -0.2570 -0.2279 -0.2258 0.6823 0.6918 0.7245 0.7325 0.8380 0.8382 0.8612 0.8640 1.0615 1.0691 1.0781 1.0836 10.1497 10.1502 11.1819 11.1831 11.2088 11.2098 11.4067 11.4070 11.6574 11.6652 k = 0.3175 0.5499 0.4569 ( 4554 PWs) bands (ev): -17.1450 -17.1449 -16.5495 -16.5483 -16.4600 -16.4589 -15.6291 -15.6289 -15.5893 -15.5870 -15.5862 -15.5838 -6.3319 -6.3298 -6.1439 -6.1415 -5.0950 -5.0943 -3.5666 -3.5654 -3.5512 -3.5505 -3.3679 -3.3674 -1.5014 -1.5013 -1.1629 -1.1612 -1.0827 -1.0803 -0.3811 -0.3799 -0.2719 -0.2704 -0.2112 -0.2090 0.6607 0.6702 0.7428 0.7503 0.8379 0.8381 0.8486 0.8532 1.0678 1.0729 1.0872 1.0931 10.1481 10.1491 11.1529 11.1545 11.2148 11.2154 11.4166 11.4172 11.6259 11.6323 k = 0.3095 0.5361 0.4569 ( 4554 PWs) bands (ev): -17.1454 -17.1453 -16.5723 -16.5713 -16.4363 -16.4352 -15.6288 -15.6285 -15.5896 -15.5873 -15.5856 -15.5832 -6.3818 -6.3799 -6.0961 -6.0937 -5.0920 -5.0909 -3.5719 -3.5703 -3.5502 -3.5496 -3.3659 -3.3651 -1.4999 -1.4998 -1.1809 -1.1789 -1.0627 -1.0603 -0.3874 -0.3854 -0.2827 -0.2818 -0.1937 -0.1917 0.6381 0.6476 0.7592 0.7652 0.8236 0.8295 0.8448 0.8459 1.0801 1.0841 1.0979 1.1033 10.1454 10.1468 11.1138 11.1157 11.2175 11.2178 11.4306 11.4316 11.5962 11.6016 k = 0.3016 0.5224 0.4569 ( 4558 PWs) bands (ev): -17.1460 -17.1458 -16.5956 -16.5946 -16.4118 -16.4108 -15.6285 -15.6280 -15.5899 -15.5875 -15.5850 -15.5824 -6.4333 -6.4315 -6.0477 -6.0454 -5.0878 -5.0863 -3.5779 -3.5759 -3.5504 -3.5499 -3.3629 -3.3618 -1.4978 -1.4976 -1.1979 -1.1958 -1.0427 -1.0402 -0.3959 -0.3933 -0.2917 -0.2914 -0.1757 -0.1739 0.6149 0.6242 0.7721 0.7755 0.7988 0.8063 0.8492 0.8530 1.0957 1.1003 1.1107 1.1145 10.1412 10.1429 11.0664 11.0684 11.2170 11.2170 11.4451 11.4468 11.5709 11.5754 k = 0.2937 0.5086 0.4569 ( 4554 PWs) bands (ev): -17.1467 -17.1465 -16.6192 -16.6182 -16.3866 -16.3856 -15.6280 -15.6275 -15.5900 -15.5876 -15.5842 -15.5816 -6.4860 -6.4844 -5.9988 -5.9965 -5.0825 -5.0807 -3.5845 -3.5822 -3.5518 -3.5514 -3.3588 -3.3575 -1.4949 -1.4947 -1.2138 -1.2115 -1.0228 -1.0202 -0.4064 -0.4032 -0.2994 -0.2992 -0.1574 -0.1558 0.5909 0.6001 0.7677 0.7771 0.7819 0.7840 0.8589 0.8651 1.1116 1.1193 1.1268 1.1269 10.1352 10.1374 11.0122 11.0143 11.2137 11.2139 11.4550 11.4579 11.5543 11.5575 k = 0.2857 0.4949 0.4569 ( 4554 PWs) bands (ev): -17.1476 -17.1474 -16.6430 -16.6421 -16.3608 -16.3598 -15.6274 -15.6268 -15.5901 -15.5876 -15.5835 -15.5808 -6.5399 -6.5384 -5.9495 -5.9472 -5.0763 -5.0741 -3.5917 -3.5891 -3.5545 -3.5543 -3.3537 -3.3522 -1.4913 -1.4911 -1.2284 -1.2260 -1.0030 -1.0004 -0.4183 -0.4148 -0.3064 -0.3058 -0.1390 -0.1377 0.5663 0.5751 0.7385 0.7484 0.7845 0.7848 0.8730 0.8809 1.1263 1.1368 1.1436 1.1467 10.1274 10.1298 10.9525 10.9548 11.2082 11.2085 11.4538 11.4578 11.5517 11.5537 k = 0.2778 0.4811 0.4569 ( 4558 PWs) bands (ev): -17.1487 -17.1484 -16.6671 -16.6662 -16.3343 -16.3333 -15.6267 -15.6260 -15.5900 -15.5875 -15.5827 -15.5799 -6.5946 -6.5933 -5.9000 -5.8978 -5.0691 -5.0666 -3.5997 -3.5967 -3.5586 -3.5585 -3.3475 -3.3458 -1.4869 -1.4866 -1.2416 -1.2392 -0.9834 -0.9808 -0.4313 -0.4275 -0.3127 -0.3119 -0.1205 -0.1195 0.5409 0.5493 0.7079 0.7177 0.7837 0.7848 0.8900 0.8991 1.1406 1.1511 1.1655 1.1688 10.1173 10.1200 10.8887 10.8910 11.2010 11.2015 11.4414 11.4459 11.5616 11.5635 k = 0.2698 0.4674 0.4569 ( 4554 PWs) bands (ev): -17.1499 -17.1496 -16.6912 -16.6903 -16.3073 -16.3063 -15.6259 -15.6250 -15.5899 -15.5873 -15.5819 -15.5790 -6.6502 -6.6490 -5.8503 -5.8482 -5.0611 -5.0582 -3.6082 -3.6050 -3.5640 -3.5640 -3.3402 -3.3383 -1.4815 -1.4812 -1.2533 -1.2509 -0.9639 -0.9613 -0.4450 -0.4411 -0.3187 -0.3178 -0.1022 -0.1017 0.5147 0.5225 0.6771 0.6866 0.7808 0.7830 0.9088 0.9186 1.1552 1.1656 1.1888 1.1920 10.1048 10.1077 10.8216 10.8240 11.1929 11.1934 11.4238 11.4283 11.5759 11.5784 k = 0.2619 0.4536 0.4569 ( 4554 PWs) bands (ev): -17.1512 -17.1509 -16.7154 -16.7145 -16.2798 -16.2789 -15.6250 -15.6241 -15.5896 -15.5870 -15.5810 -15.5781 -6.7063 -6.7053 -5.8006 -5.7986 -5.0523 -5.0491 -3.6175 -3.6140 -3.5708 -3.5707 -3.3319 -3.3299 -1.4753 -1.4750 -1.2635 -1.2610 -0.9447 -0.9420 -0.4591 -0.4551 -0.3246 -0.3237 -0.0843 -0.0843 0.4876 0.4947 0.6467 0.6557 0.7769 0.7798 0.9286 0.9388 1.1705 1.1807 1.2127 1.2158 10.0897 10.0928 10.7521 10.7546 11.1844 11.1849 11.4048 11.4091 11.5870 11.5909 k = 0.2540 0.4399 0.4569 ( 4558 PWs) bands (ev): -17.1527 -17.1523 -16.7395 -16.7387 -16.2518 -16.2509 -15.6240 -15.6230 -15.5891 -15.5866 -15.5802 -15.5772 -6.7629 -6.7620 -5.7510 -5.7491 -5.0428 -5.0393 -3.6274 -3.6236 -3.5791 -3.5788 -3.3226 -3.3204 -1.4682 -1.4678 -1.2720 -1.2694 -0.9256 -0.9230 -0.4735 -0.4694 -0.3307 -0.3298 -0.0676 -0.0671 0.4595 0.4658 0.6170 0.6252 0.7722 0.7757 0.9488 0.9593 1.1864 1.1966 1.2368 1.2399 10.0718 10.0750 10.6809 10.6834 11.1761 11.1766 11.3861 11.3902 11.5879 11.5938 k = 0.2460 0.4261 0.4569 ( 4558 PWs) bands (ev): -17.1544 -17.1539 -16.7635 -16.7628 -16.2235 -16.2227 -15.6230 -15.6218 -15.5886 -15.5860 -15.5793 -15.5763 -6.8197 -6.8189 -5.7016 -5.6998 -5.0327 -5.0289 -3.6379 -3.6339 -3.5886 -3.5882 -3.3123 -3.3100 -1.4600 -1.4596 -1.2788 -1.2762 -0.9067 -0.9042 -0.4879 -0.4839 -0.3370 -0.3361 -0.0519 -0.0508 0.4306 0.4359 0.5880 0.5955 0.7671 0.7711 0.9693 0.9800 1.2031 1.2134 1.2609 1.2639 10.0512 10.0545 10.6086 10.6112 11.1685 11.1690 11.3683 11.3721 11.5725 11.5807 k = 0.2381 0.4124 0.4569 ( 4562 PWs) bands (ev): -17.1561 -17.1557 -16.7874 -16.7867 -16.1949 -16.1941 -15.6219 -15.6206 -15.5879 -15.5854 -15.5784 -15.5754 -6.8767 -6.8760 -5.6525 -5.6508 -5.0220 -5.0179 -3.6490 -3.6449 -3.5995 -3.5989 -3.3010 -3.2987 -1.4509 -1.4504 -1.2838 -1.2812 -0.8880 -0.8856 -0.5024 -0.4984 -0.3436 -0.3428 -0.0372 -0.0356 0.4008 0.4051 0.5599 0.5665 0.7616 0.7661 0.9899 1.0007 1.2207 1.2309 1.2850 1.2880 10.0278 10.0311 10.5358 10.5384 11.1621 11.1625 11.3516 11.3552 11.5403 11.5502 k = 0.2302 0.3986 0.4569 ( 4560 PWs) bands (ev): -17.1580 -17.1575 -16.8111 -16.8105 -16.1660 -16.1652 -15.6207 -15.6193 -15.5871 -15.5846 -15.5776 -15.5745 -6.9337 -6.9330 -5.6038 -5.6022 -5.0107 -5.0064 -3.6608 -3.6564 -3.6116 -3.6109 -3.2889 -3.2866 -1.4408 -1.4402 -1.2870 -1.2844 -0.8695 -0.8672 -0.5168 -0.5129 -0.3505 -0.3498 -0.0240 -0.0217 0.3703 0.3736 0.5326 0.5382 0.7559 0.7608 1.0105 1.0214 1.2389 1.2493 1.3089 1.3118 10.0016 10.0048 10.4628 10.4654 11.1573 11.1576 11.3363 11.3395 11.4954 11.5064 k = 0.2222 0.3849 0.4569 ( 4568 PWs) bands (ev): -17.1600 -17.1595 -16.8346 -16.8339 -16.1370 -16.1363 -15.6195 -15.6180 -15.5862 -15.5837 -15.5767 -15.5736 -6.9905 -6.9899 -5.5556 -5.5541 -4.9989 -4.9943 -3.6731 -3.6687 -3.6250 -3.6241 -3.2760 -3.2737 -1.4296 -1.4290 -1.2884 -1.2858 -0.8512 -0.8491 -0.5311 -0.5273 -0.3577 -0.3571 -0.0122 -0.0094 0.3393 0.3417 0.5059 0.5107 0.7500 0.7553 1.0311 1.0420 1.2580 1.2684 1.3326 1.3355 9.9728 9.9759 10.3900 10.3926 11.1543 11.1545 11.3224 11.3248 11.4422 11.4541 k = 0.2143 0.3712 0.4569 ( 4568 PWs) bands (ev): -17.1621 -17.1616 -16.8576 -16.8570 -16.1079 -16.1072 -15.6182 -15.6167 -15.5852 -15.5827 -15.5759 -15.5727 -7.0470 -7.0465 -5.5079 -5.5066 -4.9867 -4.9819 -3.6861 -3.6815 -3.6395 -3.6384 -3.2624 -3.2601 -1.4174 -1.4167 -1.2879 -1.2853 -0.8330 -0.8311 -0.5452 -0.5416 -0.3651 -0.3646 -0.0023 0.0013 0.3081 0.3096 0.4797 0.4836 0.7441 0.7498 1.0517 1.0626 1.2777 1.2882 1.3560 1.3588 9.9416 9.9446 10.3178 10.3203 11.1534 11.1535 11.3097 11.3106 11.3841 11.3975 k = 0.2063 0.3574 0.4569 ( 4568 PWs) bands (ev): -17.1642 -17.1637 -16.8803 -16.8798 -16.0788 -16.0781 -15.6169 -15.6153 -15.5841 -15.5817 -15.5750 -15.5718 -7.1030 -7.1025 -5.4608 -5.4596 -4.9741 -4.9690 -3.6996 -3.6949 -3.6552 -3.6539 -3.2481 -3.2458 -1.4041 -1.4033 -1.2855 -1.2830 -0.8150 -0.8132 -0.5592 -0.5558 -0.3727 -0.3723 0.0058 0.0100 0.2768 0.2775 0.4539 0.4570 0.7381 0.7441 1.0721 1.0831 1.2980 1.3087 1.3791 1.3818 9.9082 9.9111 10.2464 10.2489 11.1547 11.1547 11.2930 11.2963 11.3251 11.3425 k = 0.1984 0.3437 0.4569 ( 4576 PWs) bands (ev): -17.1665 -17.1659 -16.9026 -16.9021 -16.0497 -16.0491 -15.6156 -15.6139 -15.5829 -15.5805 -15.5742 -15.5710 -7.1584 -7.1580 -5.4144 -5.4134 -4.9610 -4.9558 -3.7138 -3.7089 -3.6718 -3.6704 -3.2333 -3.2311 -1.3898 -1.3890 -1.2814 -1.2789 -0.7971 -0.7956 -0.5730 -0.5697 -0.3805 -0.3802 0.0119 0.0166 0.2456 0.2457 0.4282 0.4306 0.7321 0.7384 1.0926 1.1036 1.3189 1.3298 1.4017 1.4043 9.8728 9.8756 10.1761 10.1785 11.1579 11.1580 11.2539 11.2542 11.2948 11.3082 k = 0.1905 0.3299 0.4569 ( 4586 PWs) bands (ev): -17.1688 -17.1682 -16.9244 -16.9239 -16.0208 -16.0202 -15.6142 -15.6125 -15.5816 -15.5792 -15.5733 -15.5702 -7.2131 -7.2128 -5.3687 -5.3679 -4.9477 -4.9422 -3.7284 -3.7235 -3.6895 -3.6878 -3.2180 -3.2159 -1.3745 -1.3736 -1.2755 -1.2730 -0.7794 -0.7780 -0.5866 -0.5835 -0.3885 -0.3882 0.0159 0.0212 0.2143 0.2149 0.4026 0.4043 0.7262 0.7327 1.1129 1.1240 1.3403 1.3513 1.4239 1.4264 9.8359 9.8386 10.1070 10.1094 11.1624 11.1630 11.1915 11.1952 11.2861 11.2951 k = 0.1825 0.3162 0.4569 ( 4578 PWs) bands (ev): -17.1711 -17.1706 -16.9456 -16.9452 -15.9921 -15.9916 -15.6128 -15.6111 -15.5802 -15.5779 -15.5725 -15.5694 -7.2669 -7.2666 -5.3239 -5.3233 -4.9340 -4.9283 -3.7436 -3.7386 -3.7080 -3.7061 -3.2024 -3.2003 -1.3582 -1.3572 -1.2679 -1.2654 -0.7618 -0.7606 -0.5999 -0.5970 -0.3965 -0.3963 0.0176 0.0235 0.1835 0.1848 0.3770 0.3781 0.7203 0.7270 1.1332 1.1443 1.3621 1.3733 1.4455 1.4481 9.7978 9.8003 10.0395 10.0418 11.1237 11.1299 11.1718 11.1726 11.2804 11.2879 k = 0.1746 0.3024 0.4569 ( 4572 PWs) bands (ev): -17.1735 -17.1729 -16.9663 -16.9659 -15.9638 -15.9632 -15.6115 -15.6097 -15.5788 -15.5765 -15.5717 -15.5686 -7.3197 -7.3195 -5.2798 -5.2794 -4.9200 -4.9142 -3.7593 -3.7542 -3.7272 -3.7252 -3.1864 -3.1844 -1.3410 -1.3399 -1.2586 -1.2562 -0.7442 -0.7433 -0.6129 -0.6102 -0.4044 -0.4044 0.0172 0.0235 0.1536 0.1553 0.3512 0.3517 0.7143 0.7212 1.1533 1.1645 1.3842 1.3956 1.4667 1.4692 9.7589 9.7612 9.9737 9.9758 11.0589 11.0652 11.1809 11.1815 11.2768 11.2836 k = 0.1667 0.2887 0.4569 ( 4568 PWs) bands (ev): -17.1759 -17.1753 -16.9864 -16.9859 -15.9358 -15.9353 -15.6101 -15.6083 -15.5773 -15.5751 -15.5709 -15.5678 -7.3714 -7.3711 -5.2367 -5.2365 -4.9058 -4.8999 -3.7755 -3.7704 -3.7471 -3.7449 -3.1703 -3.1684 -1.3228 -1.3216 -1.2478 -1.2454 -0.7268 -0.7261 -0.6256 -0.6230 -0.4123 -0.4123 0.0146 0.0213 0.1245 0.1267 0.3252 0.3252 0.7084 0.7154 1.1733 1.1846 1.4065 1.4181 1.4873 1.4897 9.7193 9.7215 9.9097 9.9117 10.9942 11.0005 11.1921 11.1926 11.2751 11.2814 k = 0.1587 0.2749 0.4569 ( 4580 PWs) bands (ev): -17.1783 -17.1777 -17.0057 -17.0054 -15.9084 -15.9079 -15.6088 -15.6069 -15.5757 -15.5736 -15.5702 -15.5671 -7.4217 -7.4215 -5.1945 -5.1945 -4.8914 -4.8854 -3.7921 -3.7871 -3.7676 -3.7652 -3.1541 -3.1523 -1.3039 -1.3026 -1.2355 -1.2332 -0.7094 -0.7090 -0.6379 -0.6356 -0.4201 -0.4201 0.0099 0.0169 0.0965 0.0991 0.2985 0.2990 0.7025 0.7094 1.1931 1.2044 1.4290 1.4407 1.5072 1.5096 9.6796 9.6816 9.8477 9.8496 10.9305 10.9366 11.2047 11.2052 11.2754 11.2813 k = 0.1508 0.2612 0.4569 ( 4584 PWs) bands (ev): -17.1807 -17.1801 -17.0244 -17.0241 -15.8815 -15.8810 -15.6074 -15.6056 -15.5742 -15.5721 -15.5694 -15.5664 -7.4707 -7.4705 -5.1534 -5.1532 -4.8769 -4.8707 -3.8092 -3.8042 -3.7884 -3.7859 -3.1379 -3.1362 -1.2842 -1.2828 -1.2220 -1.2197 -0.6920 -0.6919 -0.6499 -0.6478 -0.4277 -0.4276 0.0031 0.0103 0.0696 0.0726 0.2715 0.2726 0.6965 0.7034 1.2127 1.2240 1.4514 1.4632 1.5265 1.5288 9.6400 9.6419 9.7879 9.7897 10.8681 10.8741 11.2187 11.2191 11.2775 11.2831 k = 0.1429 0.2474 0.4569 ( 4580 PWs) bands (ev): -17.1830 -17.1825 -17.0423 -17.0420 -15.8552 -15.8548 -15.6061 -15.6043 -15.5726 -15.5706 -15.5687 -15.5658 -7.5181 -7.5179 -5.1134 -5.1130 -4.8622 -4.8560 -3.8267 -3.8218 -3.8096 -3.8070 -3.1218 -3.1203 -1.2638 -1.2624 -1.2072 -1.2050 -0.6750 -0.6747 -0.6613 -0.6595 -0.4349 -0.4349 -0.0057 0.0015 0.0439 0.0472 0.2443 0.2459 0.6904 0.6973 1.2319 1.2432 1.4736 1.4856 1.5451 1.5473 9.6008 9.6026 9.7303 9.7321 10.8074 10.8132 11.2338 11.2339 11.2814 11.2867 k = 0.1349 0.2337 0.4569 ( 4580 PWs) bands (ev): -17.1854 -17.1849 -17.0595 -17.0592 -15.8298 -15.8294 -15.6048 -15.6030 -15.5710 -15.5691 -15.5680 -15.5651 -7.5638 -7.5637 -5.0744 -5.0738 -4.8474 -4.8411 -3.8446 -3.8399 -3.8308 -3.8283 -3.1060 -3.1046 -1.2429 -1.2414 -1.1914 -1.1893 -0.6727 -0.6708 -0.6576 -0.6574 -0.4416 -0.4416 -0.0164 -0.0094 0.0196 0.0230 0.2169 0.2189 0.6843 0.6911 1.2508 1.2620 1.4956 1.5076 1.5629 1.5651 9.5624 9.5640 9.6753 9.6769 10.7488 10.7543 11.2496 11.2497 11.2872 11.2920 k = 0.1270 0.2199 0.4569 ( 4580 PWs) bands (ev): -17.1877 -17.1872 -17.0758 -17.0756 -15.8052 -15.8048 -15.6036 -15.6018 -15.5694 -15.5676 -15.5673 -15.5645 -7.6077 -7.6076 -5.0364 -5.0357 -4.8326 -4.8263 -3.8628 -3.8585 -3.8519 -3.8496 -3.0905 -3.0892 -1.2216 -1.2200 -1.1747 -1.1727 -0.6832 -0.6815 -0.6407 -0.6400 -0.4478 -0.4477 -0.0288 -0.0227 -0.0030 -0.0000 0.1893 0.1919 0.6781 0.6847 1.2692 1.2803 1.5173 1.5292 1.5800 1.5822 9.5249 9.5264 9.6227 9.6243 10.6924 10.6976 11.2656 11.2661 11.2948 11.2991 k = 0.1190 0.2062 0.4569 ( 4560 PWs) bands (ev): -17.1899 -17.1894 -17.0913 -17.0911 -15.7815 -15.7812 -15.6024 -15.6006 -15.5679 -15.5667 -15.5661 -15.5640 -7.6497 -7.6496 -4.9996 -4.9987 -4.8177 -4.8115 -3.8813 -3.8779 -3.8724 -3.8708 -3.0754 -3.0742 -1.2000 -1.1983 -1.1574 -1.1555 -0.6932 -0.6918 -0.6237 -0.6227 -0.4533 -0.4531 -0.0429 -0.0384 -0.0236 -0.0219 0.1617 0.1648 0.6719 0.6783 1.2871 1.2981 1.5384 1.5503 1.5963 1.5984 9.4886 9.4900 9.5729 9.5743 10.6386 10.6434 11.2816 11.2828 11.3044 11.3079 k = 0.1111 0.1925 0.4569 ( 4564 PWs) bands (ev): -17.1920 -17.1916 -17.1060 -17.1057 -15.7589 -15.7586 -15.6012 -15.5995 -15.5664 -15.5660 -15.5647 -15.5635 -7.6896 -7.6895 -4.9640 -4.9629 -4.8030 -4.7968 -3.9001 -3.8981 -3.8922 -3.8918 -3.0608 -3.0598 -1.1782 -1.1766 -1.1396 -1.1378 -0.7026 -0.7014 -0.6067 -0.6053 -0.4580 -0.4576 -0.0585 -0.0565 -0.0427 -0.0425 0.1341 0.1378 0.6656 0.6717 1.3044 1.3151 1.5588 1.5705 1.6117 1.6138 9.4538 9.4550 9.5258 9.5271 10.5874 10.5920 11.2973 11.2994 11.3158 11.3182 k = 0.1032 0.1787 0.4569 ( 4564 PWs) bands (ev): -17.1941 -17.1936 -17.1197 -17.1195 -15.7374 -15.7371 -15.6001 -15.5984 -15.5656 -15.5647 -15.5634 -15.5629 -7.7274 -7.7273 -4.9296 -4.9283 -4.7884 -4.7823 -3.9191 -3.9186 -3.9123 -3.9114 -3.0468 -3.0459 -1.1566 -1.1549 -1.1216 -1.1200 -0.7114 -0.7105 -0.5896 -0.5879 -0.4617 -0.4611 -0.0757 -0.0755 -0.0625 -0.0606 0.1068 0.1110 0.6592 0.6651 1.3210 1.3314 1.5785 1.5900 1.6262 1.6283 9.4205 9.4216 9.4815 9.4827 10.5391 10.5433 11.3122 11.3154 11.3289 11.3301 k = 0.0952 0.1650 0.4569 ( 4564 PWs) bands (ev): -17.1960 -17.1956 -17.1325 -17.1323 -15.7171 -15.7168 -15.5991 -15.5975 -15.5650 -15.5633 -15.5627 -15.5619 -7.7628 -7.7628 -4.8965 -4.8951 -4.7740 -4.7681 -3.9390 -3.9382 -3.9322 -3.9302 -3.0336 -3.0327 -1.1351 -1.1335 -1.1037 -1.1022 -0.7196 -0.7189 -0.5725 -0.5703 -0.4642 -0.4633 -0.0951 -0.0935 -0.0816 -0.0790 0.0798 0.0847 0.6530 0.6585 1.3369 1.3469 1.5972 1.6084 1.6398 1.6419 9.3891 9.3901 9.4402 9.4413 10.4939 10.4978 11.3266 11.3307 11.3434 11.3436 k = 0.0873 0.1512 0.4569 ( 4568 PWs) bands (ev): -17.1979 -17.1975 -17.1444 -17.1442 -15.6980 -15.6978 -15.5981 -15.5966 -15.5645 -15.5623 -15.5619 -15.5606 -7.7959 -7.7959 -4.8648 -4.8633 -4.7600 -4.7542 -3.9588 -3.9574 -3.9514 -3.9488 -3.0210 -3.0203 -1.1141 -1.1125 -1.0860 -1.0847 -0.7272 -0.7266 -0.5553 -0.5527 -0.4652 -0.4641 -0.1145 -0.1124 -0.1004 -0.0981 0.0537 0.0591 0.6468 0.6520 1.3518 1.3614 1.6149 1.6258 1.6525 1.6546 9.3596 9.3605 9.4019 9.4029 10.4518 10.4554 11.3407 11.3452 11.3579 11.3583 k = 0.0794 0.1375 0.4569 ( 4568 PWs) bands (ev): -17.1996 -17.1992 -17.1553 -17.1552 -15.6804 -15.6801 -15.5972 -15.5957 -15.5639 -15.5619 -15.5606 -15.5594 -7.8265 -7.8265 -4.8347 -4.8331 -4.7463 -4.7408 -3.9780 -3.9761 -3.9699 -3.9671 -3.0093 -3.0087 -1.0938 -1.0922 -1.0689 -1.0677 -0.7340 -0.7336 -0.5379 -0.5349 -0.4647 -0.4632 -0.1338 -0.1320 -0.1190 -0.1177 0.0286 0.0346 0.6407 0.6456 1.3659 1.3749 1.6315 1.6419 1.6643 1.6663 9.3323 9.3331 9.3668 9.3677 10.4130 10.4162 11.3547 11.3592 11.3726 11.3732 k = 0.0714 0.1237 0.4569 ( 4564 PWs) bands (ev): -17.2012 -17.2008 -17.1653 -17.1651 -15.6641 -15.6639 -15.5963 -15.5950 -15.5635 -15.5616 -15.5594 -15.5583 -7.8545 -7.8544 -4.8062 -4.8046 -4.7332 -4.7279 -3.9963 -3.9942 -3.9877 -3.9849 -2.9986 -2.9980 -1.0743 -1.0728 -1.0526 -1.0517 -0.7401 -0.7399 -0.5204 -0.5170 -0.4623 -0.4605 -0.1534 -0.1523 -0.1380 -0.1379 0.0052 0.0115 0.6349 0.6394 1.3789 1.3873 1.6468 1.6566 1.6751 1.6771 9.3072 9.3079 9.3348 9.3356 10.3776 10.3806 11.3685 11.3727 11.3869 11.3876 k = 0.0635 0.1100 0.4569 ( 4568 PWs) bands (ev): -17.2026 -17.2023 -17.1742 -17.1741 -15.6494 -15.6493 -15.5955 -15.5943 -15.5630 -15.5614 -15.5583 -15.5573 -7.8798 -7.8797 -4.7796 -4.7780 -4.7208 -4.7158 -4.0134 -4.0114 -4.0046 -4.0019 -2.9887 -2.9883 -1.0560 -1.0546 -1.0374 -1.0367 -0.7454 -0.7454 -0.5028 -0.4989 -0.4580 -0.4557 -0.1734 -0.1732 -0.1588 -0.1572 -0.0163 -0.0097 0.6295 0.6335 1.3909 1.3986 1.6608 1.6698 1.6849 1.6869 9.2844 9.2851 9.3060 9.3067 10.3458 10.3484 11.3818 11.3857 11.4004 11.4011 k = 0.0556 0.0962 0.4569 ( 4566 PWs) bands (ev): -17.2039 -17.2036 -17.1821 -17.1820 -15.6363 -15.6361 -15.5947 -15.5937 -15.5626 -15.5611 -15.5572 -15.5564 -7.9023 -7.9023 -4.7551 -4.7535 -4.7091 -4.7046 -4.0293 -4.0275 -4.0204 -4.0181 -2.9800 -2.9796 -1.0391 -1.0379 -1.0236 -1.0230 -0.7502 -0.7501 -0.4850 -0.4806 -0.4515 -0.4488 -0.1946 -0.1939 -0.1800 -0.1774 -0.0353 -0.0287 0.6244 0.6280 1.4017 1.4086 1.6733 1.6815 1.6938 1.6956 9.2641 9.2647 9.2805 9.2811 10.3175 10.3198 11.3946 11.3980 11.4130 11.4135 k = 0.0476 0.0825 0.4569 ( 4562 PWs) bands (ev): -17.2050 -17.2048 -17.1890 -17.1889 -15.6248 -15.6247 -15.5941 -15.5932 -15.5623 -15.5610 -15.5563 -15.5556 -7.9220 -7.9220 -4.7329 -4.7313 -4.6985 -4.6944 -4.0436 -4.0422 -4.0350 -4.0330 -2.9722 -2.9719 -1.0238 -1.0228 -1.0113 -1.0109 -0.7542 -0.7540 -0.4669 -0.4622 -0.4427 -0.4396 -0.2163 -0.2151 -0.2017 -0.1985 -0.0515 -0.0453 0.6198 0.6230 1.4113 1.4174 1.6842 1.6914 1.7019 1.7034 9.2464 9.2468 9.2583 9.2588 10.2929 10.2948 11.4063 11.4093 11.4244 11.4248 k = 0.0397 0.0687 0.4569 ( 4562 PWs) bands (ev): -17.2060 -17.2058 -17.1948 -17.1948 -15.6150 -15.6149 -15.5934 -15.5927 -15.5619 -15.5608 -15.5555 -15.5549 -7.9388 -7.9387 -4.7132 -4.7118 -4.6890 -4.6855 -4.0563 -4.0552 -4.0479 -4.0464 -2.9656 -2.9654 -1.0104 -1.0096 -1.0006 -1.0005 -0.7575 -0.7573 -0.4487 -0.4438 -0.4314 -0.4280 -0.2381 -0.2368 -0.2236 -0.2205 -0.0648 -0.0593 0.6159 0.6185 1.4196 1.4248 1.6935 1.6995 1.7090 1.7101 9.2312 9.2316 9.2394 9.2399 10.2720 10.2736 11.4168 11.4193 11.4344 11.4347 k = 0.0317 0.0550 0.4569 ( 4564 PWs) bands (ev): -17.2068 -17.2066 -17.1996 -17.1996 -15.6070 -15.6069 -15.5928 -15.5923 -15.5616 -15.5607 -15.5549 -15.5544 -7.9526 -7.9525 -4.6965 -4.6953 -4.6808 -4.6779 -4.0671 -4.0664 -4.0590 -4.0580 -2.9602 -2.9600 -0.9992 -0.9987 -0.9917 -0.9916 -0.7601 -0.7599 -0.4302 -0.4258 -0.4172 -0.4142 -0.2601 -0.2588 -0.2457 -0.2431 -0.0752 -0.0706 0.6125 0.6147 1.4266 1.4308 1.7011 1.7058 1.7151 1.7158 9.2188 9.2191 9.2240 9.2243 10.2548 10.2561 11.4257 11.4277 11.4429 11.4431 k = 0.0238 0.0412 0.4569 ( 4568 PWs) bands (ev): -17.2074 -17.2073 -17.2033 -17.2033 -15.6009 -15.6008 -15.5922 -15.5919 -15.5613 -15.5607 -15.5543 -15.5540 -7.9633 -7.9633 -4.6830 -4.6820 -4.6742 -4.6719 -4.0759 -4.0755 -4.0679 -4.0673 -2.9559 -2.9557 -0.9904 -0.9901 -0.9847 -0.9845 -0.7621 -0.7619 -0.4114 -0.4084 -0.4003 -0.3985 -0.2818 -0.2809 -0.2677 -0.2659 -0.0829 -0.0794 0.6099 0.6115 1.4322 1.4354 1.7071 1.7105 1.7200 1.7204 9.2090 9.2093 9.2119 9.2122 10.2415 10.2424 11.4329 11.4344 11.4498 11.4498 k = 0.0159 0.0275 0.4569 ( 4564 PWs) bands (ev): -17.2078 -17.2077 -17.2060 -17.2060 -15.5969 -15.5966 -15.5914 -15.5913 -15.5611 -15.5607 -15.5539 -15.5537 -7.9711 -7.9711 -4.6730 -4.6723 -4.6691 -4.6676 -4.0824 -4.0823 -4.0745 -4.0742 -2.9528 -2.9527 -0.9842 -0.9842 -0.9794 -0.9791 -0.7635 -0.7633 -0.3924 -0.3908 -0.3821 -0.3815 -0.3030 -0.3026 -0.2890 -0.2881 -0.0881 -0.0857 0.6081 0.6092 1.4364 1.4386 1.7114 1.7136 1.7236 1.7237 9.2021 9.2022 9.2033 9.2035 10.2320 10.2326 11.4382 11.4392 11.4548 11.4548 k = 0.0079 0.0137 0.4569 ( 4566 PWs) bands (ev): -17.2081 -17.2080 -17.2076 -17.2076 -15.5948 -15.5947 -15.5905 -15.5905 -15.5609 -15.5607 -15.5537 -15.5536 -7.9757 -7.9757 -4.6668 -4.6665 -4.6659 -4.6651 -4.0864 -4.0864 -4.0785 -4.0784 -2.9509 -2.9509 -0.9807 -0.9807 -0.9760 -0.9758 -0.7642 -0.7641 -0.3737 -0.3731 -0.3651 -0.3651 -0.3225 -0.3224 -0.3084 -0.3082 -0.0909 -0.0897 0.6071 0.6076 1.4392 1.4403 1.7142 1.7152 1.7258 1.7258 9.1979 9.1979 9.1982 9.1983 10.2263 10.2267 11.4415 11.4420 11.4579 11.4579 k = 0.0000 0.0000 0.4569 ( 4570 PWs) bands (ev): -17.2082 -17.2082 -17.2081 -17.2081 -15.5942 -15.5942 -15.5901 -15.5901 -15.5608 -15.5608 -15.5535 -15.5535 -7.9773 -7.9773 -4.6646 -4.6646 -4.6645 -4.6645 -4.0878 -4.0878 -4.0798 -4.0798 -2.9503 -2.9503 -0.9795 -0.9795 -0.9748 -0.9748 -0.7645 -0.7645 -0.3606 -0.3606 -0.3583 -0.3583 -0.3328 -0.3328 -0.3191 -0.3191 -0.0914 -0.0914 0.6069 0.6069 1.4404 1.4404 1.7154 1.7154 1.7265 1.7265 9.1964 9.1964 9.1966 9.1966 10.2246 10.2246 11.4428 11.4428 11.4589 11.4589 k = 0.5000 0.2887 0.4569 ( 4568 PWs) bands (ev): -17.1572 -17.1572 -16.7365 -16.7365 -16.2558 -16.2558 -15.6213 -15.6213 -15.5865 -15.5865 -15.5728 -15.5728 -6.7838 -6.7838 -5.8046 -5.8046 -4.9258 -4.9258 -3.7055 -3.7055 -3.5221 -3.5221 -3.3269 -3.3269 -1.4420 -1.4420 -1.4214 -1.4214 -0.7397 -0.7397 -0.5601 -0.5601 -0.3857 -0.3857 0.2103 0.2103 0.3625 0.3625 0.4174 0.4174 0.8203 0.8203 1.0091 1.0091 1.0349 1.0349 1.3941 1.3941 10.2045 10.2045 10.7144 10.7144 11.0091 11.0091 11.1711 11.1711 11.5188 11.5188 k = 0.5000 0.2887 0.4411 ( 4564 PWs) bands (ev): -17.1574 -17.1573 -16.7366 -16.7366 -16.2557 -16.2555 -15.6213 -15.6212 -15.5865 -15.5864 -15.5730 -15.5728 -6.7844 -6.7842 -5.8049 -5.8047 -4.9246 -4.9242 -3.7090 -3.7078 -3.5189 -3.5179 -3.3278 -3.3277 -1.4417 -1.4415 -1.4211 -1.4210 -0.7405 -0.7397 -0.5598 -0.5596 -0.3861 -0.3861 0.2066 0.2087 0.3625 0.3626 0.4182 0.4197 0.8156 0.8165 1.0078 1.0088 1.0381 1.0392 1.3951 1.3956 10.1994 10.2003 10.7109 10.7120 11.0065 11.0094 11.1768 11.1791 11.5232 11.5240 k = 0.5000 0.2887 0.4253 ( 4562 PWs) bands (ev): -17.1578 -17.1577 -16.7367 -16.7367 -16.2551 -16.2547 -15.6212 -15.6209 -15.5866 -15.5864 -15.5733 -15.5730 -6.7862 -6.7858 -5.8055 -5.8053 -4.9207 -4.9199 -3.7178 -3.7156 -3.5089 -3.5071 -3.3305 -3.3304 -1.4408 -1.4403 -1.4200 -1.4199 -0.7420 -0.7404 -0.5588 -0.5584 -0.3874 -0.3873 0.1981 0.2021 0.3626 0.3628 0.4219 0.4246 0.8031 0.8048 1.0050 1.0068 1.0484 1.0501 1.3986 1.3996 10.1856 10.1873 10.7019 10.7039 11.0028 11.0079 11.1952 11.1991 11.5372 11.5385 k = 0.5000 0.2887 0.4096 ( 4558 PWs) bands (ev): -17.1584 -17.1583 -16.7370 -16.7369 -16.2540 -16.2534 -15.6209 -15.6204 -15.5867 -15.5863 -15.5738 -15.5734 -6.7891 -6.7884 -5.8066 -5.8061 -4.9141 -4.9130 -3.7301 -3.7272 -3.4935 -3.4913 -3.3351 -3.3349 -1.4391 -1.4384 -1.4182 -1.4180 -0.7442 -0.7419 -0.5570 -0.5564 -0.3894 -0.3892 0.1854 0.1910 0.3626 0.3630 0.4280 0.4317 0.7849 0.7873 1.0005 1.0029 1.0639 1.0660 1.4044 1.4059 10.1639 10.1662 10.6879 10.6907 10.9998 11.0060 11.2237 11.2284 11.5599 11.5616 k = 0.5000 0.2887 0.3938 ( 4566 PWs) bands (ev): -17.1593 -17.1591 -16.7373 -16.7373 -16.2524 -16.2517 -15.6204 -15.6199 -15.5868 -15.5863 -15.5745 -15.5739 -6.7930 -6.7921 -5.8080 -5.8074 -4.9049 -4.9034 -3.7447 -3.7413 -3.4743 -3.4718 -3.3414 -3.3412 -1.4366 -1.4357 -1.4156 -1.4155 -0.7470 -0.7440 -0.5545 -0.5538 -0.3921 -0.3919 0.1693 0.1762 0.3625 0.3631 0.4358 0.4401 0.7632 0.7659 0.9943 0.9972 1.0826 1.0850 1.4125 1.4143 10.1355 10.1384 10.6698 10.6733 10.9986 11.0053 11.2594 11.2643 11.5901 11.5920 k = 0.5000 0.2887 0.3781 ( 4564 PWs) bands (ev): -17.1604 -17.1602 -16.7378 -16.7377 -16.2504 -16.2495 -15.6199 -15.6191 -15.5870 -15.5863 -15.5753 -15.5746 -6.7978 -6.7967 -5.8097 -5.8090 -4.8931 -4.8913 -3.7604 -3.7566 -3.4525 -3.4499 -3.3496 -3.3493 -1.4335 -1.4324 -1.4123 -1.4121 -0.7505 -0.7467 -0.5515 -0.5505 -0.3955 -0.3952 0.1506 0.1585 0.3621 0.3630 0.4446 0.4494 0.7392 0.7424 0.9867 0.9900 1.1030 1.1055 1.4226 1.4247 10.1019 10.1051 10.6485 10.6526 10.9996 11.0063 11.2997 11.3047 11.6264 11.6280 k = 0.5000 0.2887 0.3623 ( 4554 PWs) bands (ev): -17.1618 -17.1615 -16.7383 -16.7382 -16.2480 -16.2470 -15.6192 -15.6183 -15.5871 -15.5863 -15.5763 -15.5755 -6.8036 -6.8023 -5.8118 -5.8109 -4.8788 -4.8767 -3.7765 -3.7725 -3.4289 -3.4263 -3.3594 -3.3591 -1.4298 -1.4284 -1.4083 -1.4081 -0.7545 -0.7500 -0.5480 -0.5468 -0.3993 -0.3989 0.1297 0.1383 0.3612 0.3624 0.4540 0.4590 0.7143 0.7179 0.9779 0.9815 1.1243 1.1268 1.4345 1.4369 10.0643 10.0678 10.6249 10.6294 11.0029 11.0094 11.3426 11.3474 11.6666 11.6674 k = 0.5000 0.2887 0.3466 ( 4570 PWs) bands (ev): -17.1633 -17.1630 -16.7389 -16.7388 -16.2452 -16.2440 -15.6184 -15.6174 -15.5872 -15.5863 -15.5774 -15.5765 -6.8101 -6.8087 -5.8141 -5.8132 -4.8622 -4.8598 -3.7926 -3.7884 -3.4042 -3.4015 -3.3710 -3.3707 -1.4254 -1.4238 -1.4036 -1.4033 -0.7590 -0.7538 -0.5443 -0.5429 -0.4035 -0.4030 0.1071 0.1164 0.3596 0.3611 0.4636 0.4685 0.6892 0.6932 0.9679 0.9718 1.1457 1.1482 1.4480 1.4505 10.0241 10.0276 10.5998 10.6046 11.0084 11.0144 11.3859 11.3906 11.7059 11.7068 k = 0.5000 0.2887 0.3308 ( 4574 PWs) bands (ev): -17.1650 -17.1646 -16.7396 -16.7395 -16.2421 -16.2407 -15.6175 -15.6163 -15.5874 -15.5864 -15.5786 -15.5776 -6.8174 -6.8158 -5.8168 -5.8157 -4.8433 -4.8406 -3.8083 -3.8041 -3.3848 -3.3839 -3.3780 -3.3760 -1.4204 -1.4186 -1.3981 -1.3978 -0.7639 -0.7580 -0.5405 -0.5389 -0.4077 -0.4071 0.0832 0.0929 0.3570 0.3588 0.4730 0.4779 0.6647 0.6690 0.9569 0.9611 1.1668 1.1694 1.4627 1.4654 9.9821 9.9857 10.5738 10.5788 11.0158 11.0214 11.4280 11.4326 11.7359 11.7396 k = 0.5000 0.2887 0.3151 ( 4574 PWs) bands (ev): -17.1668 -17.1664 -16.7403 -16.7402 -16.2386 -16.2372 -15.6165 -15.6152 -15.5876 -15.5864 -15.5800 -15.5789 -6.8252 -6.8235 -5.8196 -5.8185 -4.8224 -4.8194 -3.8235 -3.8193 -3.3994 -3.3988 -3.3523 -3.3500 -1.4148 -1.4129 -1.3920 -1.3917 -0.7691 -0.7625 -0.5370 -0.5351 -0.4117 -0.4110 0.0581 0.0683 0.3529 0.3551 0.4822 0.4870 0.6414 0.6462 0.9452 0.9495 1.1873 1.1899 1.4786 1.4813 9.9393 9.9428 10.5475 10.5526 11.0249 11.0300 11.4670 11.4714 11.7479 11.7538 k = 0.5000 0.2887 0.2993 ( 4578 PWs) bands (ev): -17.1688 -17.1684 -16.7411 -16.7410 -16.2349 -16.2333 -15.6154 -15.6139 -15.5878 -15.5866 -15.5814 -15.5802 -6.8335 -6.8317 -5.8227 -5.8215 -4.7994 -4.7963 -3.8381 -3.8338 -3.4159 -3.4153 -3.3259 -3.3238 -1.4088 -1.4067 -1.3851 -1.3849 -0.7744 -0.7671 -0.5342 -0.5321 -0.4150 -0.4142 0.0323 0.0427 0.3469 0.3496 0.4911 0.4956 0.6201 0.6252 0.9328 0.9373 1.2071 1.2097 1.4952 1.4979 9.8963 9.8998 10.5211 10.5263 11.0356 11.0403 11.5010 11.5055 11.7404 11.7467 k = 0.5000 0.2887 0.2836 ( 4596 PWs) bands (ev): -17.1709 -17.1704 -16.7419 -16.7419 -16.2309 -16.2293 -15.6142 -15.6126 -15.5881 -15.5868 -15.5827 -15.5816 -6.8422 -6.8403 -5.8260 -5.8247 -4.7747 -4.7714 -3.8519 -3.8476 -3.4340 -3.4333 -3.2996 -3.2975 -1.4024 -1.4001 -1.3777 -1.3774 -0.7797 -0.7718 -0.5325 -0.5303 -0.4172 -0.4163 0.0057 0.0164 0.3387 0.3418 0.4995 0.5038 0.6012 0.6067 0.9199 0.9244 1.2261 1.2286 1.5124 1.5151 9.8537 9.8570 10.4952 10.5003 11.0477 11.0519 11.5288 11.5332 11.7211 11.7269 k = 0.5000 0.2887 0.2678 ( 4592 PWs) bands (ev): -17.1730 -17.1725 -16.7428 -16.7427 -16.2268 -16.2250 -15.6130 -15.6112 -15.5884 -15.5873 -15.5840 -15.5831 -6.8511 -6.8492 -5.8294 -5.8281 -4.7484 -4.7448 -3.8649 -3.8607 -3.4535 -3.4528 -3.2734 -3.2715 -1.3956 -1.3931 -1.3696 -1.3693 -0.7849 -0.7765 -0.5324 -0.5301 -0.4176 -0.4167 -0.0213 -0.0105 0.3279 0.3313 0.5076 0.5116 0.5854 0.5911 0.9066 0.9112 1.2440 1.2465 1.5300 1.5326 9.8119 9.8151 10.4698 10.4749 11.0610 11.0648 11.5492 11.5535 11.6964 11.7017 k = 0.5000 0.2887 0.2521 ( 4580 PWs) bands (ev): -17.1752 -17.1747 -16.7437 -16.7436 -16.2225 -16.2207 -15.6117 -15.6098 -15.5889 -15.5882 -15.5849 -15.5845 -6.8601 -6.8582 -5.8328 -5.8315 -4.7205 -4.7169 -3.8770 -3.8730 -3.4745 -3.4736 -3.2475 -3.2458 -1.3885 -1.3860 -1.3610 -1.3607 -0.7898 -0.7808 -0.5343 -0.5319 -0.4159 -0.4151 -0.0488 -0.0378 0.3144 0.3180 0.5153 0.5191 0.5728 0.5786 0.8930 0.8976 1.2609 1.2634 1.5477 1.5503 9.7714 9.7744 10.4453 10.4502 11.0754 11.0788 11.5620 11.5662 11.6698 11.6744 k = 0.5000 0.2887 0.2363 ( 4576 PWs) bands (ev): -17.1774 -17.1769 -16.7446 -16.7446 -16.2181 -16.2162 -15.6104 -15.6084 -15.5895 -15.5895 -15.5858 -15.5854 -6.8692 -6.8673 -5.8364 -5.8351 -4.6914 -4.6876 -3.8883 -3.8844 -3.4967 -3.4957 -3.2222 -3.2206 -1.3813 -1.3786 -1.3519 -1.3516 -0.7942 -0.7848 -0.5382 -0.5359 -0.4121 -0.4113 -0.0764 -0.0653 0.2983 0.3020 0.5226 0.5261 0.5634 0.5692 0.8793 0.8838 1.2767 1.2791 1.5654 1.5679 9.7323 9.7352 10.4218 10.4265 11.0908 11.0938 11.5676 11.5716 11.6427 11.6467 k = 0.5000 0.2887 0.2205 ( 4576 PWs) bands (ev): -17.1796 -17.1791 -16.7455 -16.7455 -16.2136 -16.2118 -15.6091 -15.6069 -15.5911 -15.5905 -15.5868 -15.5857 -6.8782 -6.8763 -5.8399 -5.8386 -4.6612 -4.6573 -3.8988 -3.8950 -3.5201 -3.5190 -3.1976 -3.1962 -1.3740 -1.3713 -1.3423 -1.3421 -0.7981 -0.7883 -0.5440 -0.5418 -0.4062 -0.4056 -0.1041 -0.0931 0.2800 0.2836 0.5296 0.5328 0.5571 0.5627 0.8656 0.8700 1.2914 1.2937 1.5828 1.5852 9.6951 9.6978 10.3994 10.4039 11.1069 11.1097 11.5669 11.5708 11.6162 11.6196 k = 0.5000 0.2887 0.2048 ( 4560 PWs) bands (ev): -17.1817 -17.1813 -16.7464 -16.7464 -16.2092 -16.2074 -15.6078 -15.6055 -15.5927 -15.5919 -15.5875 -15.5859 -6.8870 -6.8851 -5.8434 -5.8421 -4.6301 -4.6262 -3.9084 -3.9048 -3.5445 -3.5434 -3.1738 -3.1726 -1.3668 -1.3640 -1.3325 -1.3323 -0.8012 -0.7910 -0.5514 -0.5494 -0.3985 -0.3981 -0.1318 -0.1208 0.2598 0.2633 0.5363 0.5392 0.5532 0.5587 0.8520 0.8563 1.3050 1.3072 1.5998 1.6021 9.6598 9.6623 10.3782 10.3825 11.1237 11.1262 11.5610 11.5649 11.5910 11.5938 k = 0.5000 0.2887 0.1890 ( 4564 PWs) bands (ev): -17.1839 -17.1834 -16.7473 -16.7473 -16.2048 -16.2030 -15.6065 -15.6040 -15.5944 -15.5934 -15.5880 -15.5861 -6.8955 -6.8937 -5.8469 -5.8456 -4.5983 -4.5944 -3.9171 -3.9137 -3.5699 -3.5686 -3.1511 -3.1500 -1.3597 -1.3569 -1.3224 -1.3223 -0.8034 -0.7930 -0.5599 -0.5581 -0.3895 -0.3892 -0.1592 -0.1483 0.2383 0.2417 0.5426 0.5452 0.5514 0.5565 0.8385 0.8427 1.3175 1.3195 1.6162 1.6184 9.6266 9.6290 10.3583 10.3624 11.1410 11.1433 11.5504 11.5546 11.5680 11.5699 k = 0.5000 0.2887 0.1733 ( 4564 PWs) bands (ev): -17.1859 -17.1855 -16.7482 -16.7481 -16.2006 -16.1988 -15.6053 -15.6026 -15.5961 -15.5950 -15.5884 -15.5862 -6.9037 -6.9020 -5.8502 -5.8490 -4.5660 -4.5622 -3.9251 -3.9219 -3.5960 -3.5946 -3.1295 -3.1285 -1.3530 -1.3502 -1.3122 -1.3121 -0.8046 -0.7940 -0.5692 -0.5676 -0.3793 -0.3793 -0.1863 -0.1755 0.2162 0.2193 0.5487 0.5511 0.5512 0.5559 0.8254 0.8294 1.3288 1.3307 1.6319 1.6339 9.5957 9.5979 10.3398 10.3436 11.1587 11.1608 11.5349 11.5393 11.5487 11.5499 k = 0.5000 0.2887 0.1575 ( 4560 PWs) bands (ev): -17.1878 -17.1874 -16.7490 -16.7489 -16.1965 -16.1948 -15.6041 -15.6013 -15.5977 -15.5966 -15.5888 -15.5864 -6.9114 -6.9098 -5.8533 -5.8522 -4.5336 -4.5299 -3.9322 -3.9293 -3.6226 -3.6211 -3.1092 -3.1084 -1.3466 -1.3438 -1.3021 -1.3020 -0.8046 -0.7941 -0.5790 -0.5775 -0.3685 -0.3684 -0.2127 -0.2022 0.1937 0.1967 0.5520 0.5547 0.5563 0.5568 0.8127 0.8165 1.3390 1.3408 1.6468 1.6486 9.5672 9.5692 10.3227 10.3262 11.1767 11.1787 11.5162 11.5201 11.5325 11.5338 k = 0.5000 0.2887 0.1418 ( 4564 PWs) bands (ev): -17.1897 -17.1893 -16.7498 -16.7497 -16.1926 -16.1910 -15.6030 -15.6001 -15.5990 -15.5981 -15.5891 -15.5866 -6.9186 -6.9171 -5.8563 -5.8553 -4.5014 -4.4977 -3.9386 -3.9359 -3.6494 -3.6479 -3.0904 -3.0897 -1.3406 -1.3380 -1.2921 -1.2921 -0.8036 -0.7932 -0.5890 -0.5876 -0.3573 -0.3571 -0.2383 -0.2281 0.1715 0.1742 0.5537 0.5577 0.5604 0.5621 0.8006 0.8041 1.3481 1.3498 1.6606 1.6622 9.5412 9.5430 10.3071 10.3103 11.1949 11.1968 11.4976 11.5008 11.5168 11.5183 k = 0.5000 0.2887 0.1260 ( 4564 PWs) bands (ev): -17.1913 -17.1910 -16.7505 -16.7504 -16.1890 -16.1875 -15.6025 -15.6002 -15.5999 -15.5982 -15.5895 -15.5868 -6.9252 -6.9239 -5.8591 -5.8581 -4.4696 -4.4661 -3.9442 -3.9417 -3.6762 -3.6747 -3.0732 -3.0725 -1.3352 -1.3327 -1.2825 -1.2824 -0.8014 -0.7913 -0.5987 -0.5976 -0.3458 -0.3455 -0.2627 -0.2531 0.1498 0.1524 0.5558 0.5594 0.5658 0.5672 0.7891 0.7923 1.3562 1.3577 1.6733 1.6747 9.5178 9.5194 10.2931 10.2960 11.2131 11.2149 11.4802 11.4830 11.5010 11.5025 k = 0.5000 0.2887 0.1103 ( 4558 PWs) bands (ev): -17.1928 -17.1925 -16.7511 -16.7511 -16.1856 -16.1843 -15.6029 -15.6015 -15.5997 -15.5972 -15.5898 -15.5870 -6.9312 -6.9300 -5.8616 -5.8607 -4.4387 -4.4354 -3.9490 -3.9468 -3.7026 -3.7010 -3.0576 -3.0571 -1.3304 -1.3281 -1.2733 -1.2733 -0.7983 -0.7887 -0.6081 -0.6071 -0.3344 -0.3340 -0.2857 -0.2767 0.1292 0.1315 0.5582 0.5614 0.5709 0.5721 0.7784 0.7814 1.3632 1.3646 1.6847 1.6860 9.4970 9.4984 10.2806 10.2832 11.2313 11.2331 11.4645 11.4670 11.4850 11.4864 k = 0.5000 0.2887 0.0945 ( 4552 PWs) bands (ev): -17.1942 -17.1939 -16.7517 -16.7517 -16.1826 -16.1815 -15.6039 -15.6027 -15.5989 -15.5961 -15.5901 -15.5873 -6.9365 -6.9354 -5.8638 -5.8631 -4.4093 -4.4062 -3.9532 -3.9513 -3.7280 -3.7264 -3.0439 -3.0435 -1.3262 -1.3242 -1.2649 -1.2649 -0.7943 -0.7854 -0.6169 -0.6161 -0.3232 -0.3228 -0.3069 -0.2986 0.1099 0.1120 0.5607 0.5634 0.5757 0.5767 0.7686 0.7713 1.3693 1.3705 1.6949 1.6960 9.4789 9.4800 10.2698 10.2720 11.2494 11.2511 11.4505 11.4528 11.4691 11.4704 k = 0.5000 0.2887 0.0788 ( 4556 PWs) bands (ev): -17.1953 -17.1951 -16.7522 -16.7522 -16.1800 -16.1790 -15.6048 -15.6039 -15.5980 -15.5952 -15.5904 -15.5876 -6.9410 -6.9401 -5.8657 -5.8651 -4.3819 -4.3791 -3.9566 -3.9550 -3.7518 -3.7503 -3.0321 -3.0318 -1.3227 -1.3209 -1.2574 -1.2574 -0.7897 -0.7817 -0.6248 -0.6241 -0.3260 -0.3188 -0.3125 -0.3122 0.0925 0.0942 0.5630 0.5653 0.5802 0.5809 0.7600 0.7622 1.3743 1.3753 1.7036 1.7045 9.4635 9.4645 10.2606 10.2625 11.2672 11.2689 11.4380 11.4402 11.4537 11.4548 k = 0.5000 0.2887 0.0630 ( 4558 PWs) bands (ev): -17.1963 -17.1961 -16.7526 -16.7526 -16.1778 -16.1770 -15.6056 -15.6049 -15.5971 -15.5944 -15.5907 -15.5879 -6.9447 -6.9440 -5.8673 -5.8668 -4.3573 -4.3549 -3.9594 -3.9581 -3.7733 -3.7720 -3.0223 -3.0221 -1.3198 -1.3183 -1.2509 -1.2509 -0.7850 -0.7781 -0.6315 -0.6310 -0.3423 -0.3361 -0.3032 -0.3028 0.0772 0.0787 0.5651 0.5670 0.5841 0.5846 0.7526 0.7544 1.3784 1.3793 1.7108 1.7116 9.4509 9.4517 10.2531 10.2546 11.2846 11.2862 11.4264 11.4286 11.4397 11.4404 k = 0.5000 0.2887 0.0473 ( 4554 PWs) bands (ev): -17.1970 -17.1969 -16.7530 -16.7530 -16.1760 -16.1754 -15.6062 -15.6057 -15.5963 -15.5939 -15.5907 -15.5883 -6.9476 -6.9471 -5.8686 -5.8682 -4.3365 -4.3346 -3.9614 -3.9605 -3.7916 -3.7905 -3.0146 -3.0145 -1.3175 -1.3164 -1.2457 -1.2457 -0.7804 -0.7749 -0.6370 -0.6366 -0.3555 -0.3505 -0.2951 -0.2948 0.0648 0.0659 0.5669 0.5683 0.5873 0.5877 0.7466 0.7480 1.3816 1.3823 1.7166 1.7171 9.4411 9.4416 10.2473 10.2484 11.3013 11.3029 11.4142 11.4164 11.4289 11.4293 k = 0.5000 0.2887 0.0315 ( 4544 PWs) bands (ev): -17.1976 -17.1975 -16.7532 -16.7532 -16.1747 -16.1743 -15.6067 -15.6063 -15.5955 -15.5937 -15.5906 -15.5888 -6.9497 -6.9493 -5.8694 -5.8692 -4.3205 -4.3192 -3.9629 -3.9622 -3.8056 -3.8048 -3.0091 -3.0090 -1.3159 -1.3151 -1.2418 -1.2418 -0.7764 -0.7726 -0.6410 -0.6408 -0.3650 -0.3616 -0.2889 -0.2887 0.0555 0.0563 0.5684 0.5693 0.5898 0.5900 0.7422 0.7432 1.3840 1.3844 1.7207 1.7211 9.4341 9.4345 10.2431 10.2439 11.3168 11.3183 11.4012 11.4031 11.4220 11.4223 k = 0.5000 0.2887 0.0158 ( 4548 PWs) bands (ev): -17.1979 -17.1978 -16.7533 -16.7533 -16.1739 -16.1737 -15.6069 -15.6067 -15.5949 -15.5939 -15.5902 -15.5892 -6.9509 -6.9507 -5.8699 -5.8698 -4.3102 -4.3095 -3.9637 -3.9633 -3.8144 -3.8140 -3.0057 -3.0057 -1.3148 -1.3144 -1.2394 -1.2394 -0.7734 -0.7714 -0.6435 -0.6434 -0.3705 -0.3688 -0.2850 -0.2849 0.0498 0.0502 0.5693 0.5698 0.5914 0.5915 0.7396 0.7401 1.3854 1.3856 1.7233 1.7234 9.4299 9.4301 10.2407 10.2411 11.3296 11.3306 11.3900 11.3912 11.4182 11.4183 k = 0.5000 0.2887-0.0000 ( 4556 PWs) bands (ev): -17.1980 -17.1980 -16.7534 -16.7534 -16.1735 -16.1735 -15.6069 -15.6069 -15.5943 -15.5943 -15.5897 -15.5897 -6.9512 -6.9512 -5.8701 -5.8701 -4.3065 -4.3065 -3.9638 -3.9638 -3.8173 -3.8173 -3.0046 -3.0046 -1.3143 -1.3143 -1.2386 -1.2386 -0.7717 -0.7717 -0.6443 -0.6443 -0.3718 -0.3718 -0.2836 -0.2836 0.0480 0.0480 0.5698 0.5698 0.5919 0.5919 0.7389 0.7389 1.3859 1.3859 1.7242 1.7242 9.4286 9.4286 10.2400 10.2400 11.3356 11.3356 11.3854 11.3854 11.4170 11.4170 k = 0.3333 0.5774-0.0000 ( 4596 PWs) bands (ev): -16.9750 -16.9737 -16.9736 -16.9736 -16.2018 -16.2018 -15.6043 -15.6043 -15.5908 -15.5908 -15.5881 -15.5877 -7.0192 -7.0192 -5.1632 -5.1587 -5.1556 -5.1556 -3.7979 -3.7943 -3.7943 -3.7914 -2.9197 -2.9197 -1.2489 -1.2382 -1.2382 -1.2331 -0.9504 -0.9504 -0.4597 -0.4597 -0.2912 -0.2900 -0.2857 -0.2857 0.0010 0.0010 0.2926 0.3035 0.3035 0.3082 1.2399 1.2399 1.2509 1.2530 1.6683 1.6683 10.1896 10.1927 10.1961 10.1961 10.7306 10.7306 11.2146 11.2146 11.8544 11.8547 k = 0.3333 0.5774 0.0158 ( 4578 PWs) bands (ev): -16.9861 -16.9853 -16.9621 -16.9615 -16.2023 -16.2021 -15.6044 -15.6042 -15.5924 -15.5895 -15.5893 -15.5864 -7.0182 -7.0181 -5.1760 -5.1708 -5.1476 -5.1422 -3.8098 -3.8089 -3.7784 -3.7781 -2.9210 -2.9210 -1.2559 -1.2511 -1.2267 -1.2258 -0.9522 -0.9502 -0.4589 -0.4572 -0.2990 -0.2940 -0.2824 -0.2777 0.0016 0.0018 0.2905 0.2973 0.3120 0.3125 1.2356 1.2432 1.2476 1.2553 1.6673 1.6673 10.1902 10.1934 10.1966 10.1970 10.7317 10.7321 11.2158 11.2159 11.8303 11.8394 k = 0.3333 0.5774 0.0315 ( 4572 PWs) bands (ev): -16.9974 -16.9967 -16.9496 -16.9489 -16.2037 -16.2033 -15.6045 -15.6041 -15.5940 -15.5912 -15.5878 -15.5849 -7.0151 -7.0147 -5.1928 -5.1879 -5.1363 -5.1307 -3.8229 -3.8220 -3.7612 -3.7610 -2.9248 -2.9247 -1.2678 -1.2645 -1.2165 -1.2141 -0.9554 -0.9515 -0.4549 -0.4515 -0.3073 -0.3022 -0.2748 -0.2704 0.0037 0.0040 0.2878 0.2936 0.3222 0.3227 1.2303 1.2425 1.2455 1.2574 1.6644 1.6644 10.1921 10.1956 10.1982 10.1994 10.7353 10.7361 11.2195 11.2197 11.8051 11.8142 k = 0.3333 0.5774 0.0473 ( 4578 PWs) bands (ev): -17.0083 -17.0076 -16.9366 -16.9360 -16.2058 -16.2052 -15.6045 -15.6039 -15.5957 -15.5929 -15.5865 -15.5836 -7.0098 -7.0093 -5.2116 -5.2071 -5.1265 -5.1207 -3.8346 -3.8335 -3.7430 -3.7427 -2.9311 -2.9309 -1.2808 -1.2782 -1.2063 -1.2031 -0.9600 -0.9543 -0.4478 -0.4428 -0.3151 -0.3101 -0.2681 -0.2640 0.0071 0.0076 0.2869 0.2927 0.3344 0.3353 1.2242 1.2365 1.2466 1.2584 1.6596 1.6597 10.1948 10.1996 10.2008 10.2035 10.7416 10.7427 11.2258 11.2260 11.7787 11.7877 k = 0.3333 0.5774 0.0630 ( 4596 PWs) bands (ev): -17.0188 -17.0181 -16.9232 -16.9227 -16.2089 -16.2081 -15.6046 -15.6037 -15.5974 -15.5947 -15.5852 -15.5824 -7.0023 -7.0017 -5.2325 -5.2284 -5.1182 -5.1123 -3.8447 -3.8433 -3.7240 -3.7236 -2.9399 -2.9396 -1.2943 -1.2921 -1.1969 -1.1929 -0.9657 -0.9584 -0.4379 -0.4316 -0.3223 -0.3173 -0.2625 -0.2588 0.0121 0.0127 0.2887 0.2947 0.3487 0.3496 1.2173 1.2296 1.2466 1.2583 1.6529 1.6530 10.1982 10.2041 10.2054 10.2094 10.7503 10.7518 11.2345 11.2349 11.7512 11.7601 k = 0.3333 0.5774 0.0788 ( 4590 PWs) bands (ev): -17.0289 -17.0281 -16.9095 -16.9089 -16.2127 -16.2117 -15.6046 -15.6035 -15.5991 -15.5966 -15.5840 -15.5812 -6.9928 -6.9920 -5.2555 -5.2517 -5.1113 -5.1053 -3.8529 -3.8513 -3.7042 -3.7038 -2.9510 -2.9506 -1.3080 -1.3062 -1.1882 -1.1836 -0.9723 -0.9635 -0.4257 -0.4182 -0.3286 -0.3237 -0.2583 -0.2550 0.0188 0.0195 0.2934 0.2998 0.3646 0.3655 1.2095 1.2219 1.2454 1.2569 1.6443 1.6444 10.2021 10.2079 10.2133 10.2173 10.7616 10.7635 11.2458 11.2462 11.7227 11.7315 k = 0.3333 0.5774 0.0945 ( 4581 PWs) bands (ev): -17.0385 -17.0378 -16.8953 -16.8948 -16.2173 -16.2162 -15.6047 -15.6033 -15.6008 -15.5985 -15.5830 -15.5802 -6.9811 -6.9802 -5.2806 -5.2772 -5.1055 -5.0995 -3.8594 -3.8574 -3.6839 -3.6834 -2.9643 -2.9638 -1.3217 -1.3202 -1.1804 -1.1752 -0.9796 -0.9696 -0.4116 -0.4031 -0.3338 -0.3291 -0.2557 -0.2529 0.0273 0.0280 0.3011 0.3079 0.3818 0.3827 1.2011 1.2135 1.2429 1.2543 1.6339 1.6341 10.2062 10.2120 10.2234 10.2273 10.7754 10.7776 11.2596 11.2601 11.6935 11.7022 k = 0.3333 0.5774 0.1103 ( 4581 PWs) bands (ev): -17.0478 -17.0470 -16.8808 -16.8804 -16.2228 -16.2214 -15.6050 -15.6031 -15.6022 -15.6004 -15.5820 -15.5793 -6.9674 -6.9663 -5.3078 -5.3048 -5.1009 -5.0949 -3.8639 -3.8617 -3.6633 -3.6627 -2.9797 -2.9791 -1.3355 -1.3342 -1.1735 -1.1677 -0.9875 -0.9764 -0.3962 -0.3869 -0.3379 -0.3333 -0.2548 -0.2525 0.0377 0.0384 0.3117 0.3190 0.4004 0.4012 1.1919 1.2044 1.2391 1.2504 1.6218 1.6219 10.2104 10.2162 10.2357 10.2396 10.7916 10.7942 11.2758 11.2764 11.6638 11.6723 k = 0.3333 0.5774 0.1260 ( 4569 PWs) bands (ev): -17.0565 -17.0558 -16.8660 -16.8656 -16.2290 -16.2275 -15.6059 -15.6029 -15.6028 -15.6023 -15.5811 -15.5785 -6.9516 -6.9503 -5.3370 -5.3344 -5.0972 -5.0913 -3.8666 -3.8640 -3.6424 -3.6418 -2.9970 -2.9963 -1.3491 -1.3480 -1.1676 -1.1612 -0.9956 -0.9837 -0.3800 -0.3699 -0.3407 -0.3362 -0.2556 -0.2537 0.0502 0.0509 0.3252 0.3330 0.4200 0.4208 1.1821 1.1946 1.2340 1.2451 1.6079 1.6081 10.2144 10.2202 10.2504 10.2541 10.8102 10.8132 11.2945 11.2952 11.6341 11.6425 k = 0.3333 0.5774 0.1418 ( 4572 PWs) bands (ev): -17.0649 -17.0641 -16.8508 -16.8504 -16.2360 -16.2344 -15.6073 -15.6042 -15.6031 -15.6024 -15.5804 -15.5778 -6.9338 -6.9324 -5.3682 -5.3660 -5.0944 -5.0886 -3.8673 -3.8645 -3.6215 -3.6210 -3.0162 -3.0154 -1.3624 -1.3615 -1.1625 -1.1555 -1.0040 -0.9914 -0.3638 -0.3529 -0.3422 -0.3375 -0.2579 -0.2564 0.0651 0.0657 0.3414 0.3496 0.4407 0.4415 1.1717 1.1842 1.2275 1.2384 1.5923 1.5925 10.2180 10.2238 10.2676 10.2712 10.8312 10.8345 11.3157 11.3164 11.6049 11.6130 k = 0.3333 0.5774 0.1575 ( 4566 PWs) bands (ev): -17.0728 -17.0721 -16.8352 -16.8350 -16.2438 -16.2420 -15.6090 -15.6061 -15.6030 -15.6021 -15.5797 -15.5773 -6.9140 -6.9124 -5.4013 -5.3995 -5.0924 -5.0866 -3.8661 -3.8631 -3.6008 -3.6002 -3.0371 -3.0361 -1.3754 -1.3746 -1.1583 -1.1507 -1.0125 -0.9992 -0.3494 -0.3425 -0.3361 -0.3359 -0.2617 -0.2606 0.0824 0.0828 0.3599 0.3686 0.4623 0.4631 1.1607 1.1732 1.2195 1.2303 1.5751 1.5754 10.2209 10.2267 10.2873 10.2908 10.8545 10.8581 11.3393 11.3401 11.5765 11.5844 k = 0.3333 0.5774 0.1733 ( 4566 PWs) bands (ev): -17.0803 -17.0796 -16.8194 -16.8192 -16.2523 -16.2505 -15.6108 -15.6080 -15.6027 -15.6017 -15.5792 -15.5768 -6.8923 -6.8906 -5.4363 -5.4349 -5.0909 -5.0854 -3.8631 -3.8598 -3.5803 -3.5797 -3.0595 -3.0584 -1.3880 -1.3873 -1.1549 -1.1468 -1.0209 -1.0072 -0.3420 -0.3416 -0.3266 -0.3200 -0.2668 -0.2661 0.1023 0.1025 0.3806 0.3896 0.4848 0.4855 1.1492 1.1617 1.2102 1.2208 1.5564 1.5567 10.2231 10.2288 10.3097 10.3130 10.8799 10.8839 11.3652 11.3661 11.5495 11.5572 k = 0.3333 0.5774 0.1890 ( 4575 PWs) bands (ev): -17.0874 -17.0867 -16.8032 -16.8031 -16.2616 -16.2596 -15.6125 -15.6099 -15.6024 -15.6012 -15.5788 -15.5765 -6.8687 -6.8668 -5.4729 -5.4719 -5.0901 -5.0847 -3.8583 -3.8547 -3.5602 -3.5596 -3.0833 -3.0820 -1.4001 -1.3996 -1.1522 -1.1435 -1.0293 -1.0151 -0.3396 -0.3389 -0.3129 -0.3051 -0.2730 -0.2725 0.1247 0.1248 0.4032 0.4125 0.5080 0.5088 1.1371 1.1496 1.1993 1.2098 1.5362 1.5365 10.2242 10.2298 10.3348 10.3379 10.9076 10.9119 11.3936 11.3944 11.5243 11.5317 k = 0.3333 0.5774 0.2048 ( 4575 PWs) bands (ev): -17.0940 -17.0933 -16.7868 -16.7867 -16.2715 -16.2695 -15.6142 -15.6118 -15.6019 -15.6007 -15.5785 -15.5763 -6.8432 -6.8413 -5.5112 -5.5106 -5.0896 -5.0844 -3.8517 -3.8479 -3.5406 -3.5401 -3.1082 -3.1068 -1.4117 -1.4112 -1.1502 -1.1409 -1.0375 -1.0230 -0.3365 -0.3357 -0.2993 -0.2916 -0.2800 -0.2795 0.1495 0.1499 0.4272 0.4368 0.5320 0.5327 1.1245 1.1369 1.1870 1.1974 1.5146 1.5150 10.2242 10.2297 10.3627 10.3657 10.9373 10.9419 11.4242 11.4250 11.5014 11.5082 k = 0.3333 0.5774 0.2205 ( 4572 PWs) bands (ev): -17.1003 -17.0996 -16.7701 -16.7701 -16.2822 -16.2801 -15.6159 -15.6136 -15.6014 -15.6002 -15.5783 -15.5763 -6.8159 -6.8139 -5.5510 -5.5507 -5.0896 -5.0846 -3.8434 -3.8394 -3.5216 -3.5212 -3.1342 -3.1326 -1.4227 -1.4223 -1.1486 -1.1388 -1.0455 -1.0307 -0.3325 -0.3318 -0.2883 -0.2877 -0.2869 -0.2784 0.1767 0.1775 0.4525 0.4623 0.5565 0.5573 1.1114 1.1238 1.1733 1.1835 1.4917 1.4922 10.2230 10.2283 10.3934 10.3963 10.9690 10.9739 11.4571 11.4571 11.4815 11.4871 k = 0.3333 0.5774 0.2363 ( 4572 PWs) bands (ev): -17.1061 -17.1054 -16.7532 -16.7531 -16.2935 -16.2914 -15.6175 -15.6153 -15.6008 -15.5996 -15.5782 -15.5763 -6.7869 -6.7848 -5.5921 -5.5921 -5.0898 -5.0851 -3.8334 -3.8292 -3.5035 -3.5030 -3.1610 -3.1592 -1.4331 -1.4327 -1.1474 -1.1371 -1.0532 -1.0383 -0.3278 -0.3272 -0.2963 -0.2958 -0.2758 -0.2679 0.2063 0.2074 0.4787 0.4888 0.5815 0.5824 1.0978 1.1102 1.1582 1.1683 1.4676 1.4682 10.2205 10.2256 10.4271 10.4299 11.0025 11.0077 11.4612 11.4686 11.4922 11.4944 k = 0.3333 0.5774 0.2521 ( 4563 PWs) bands (ev): -17.1115 -17.1109 -16.7362 -16.7360 -16.3054 -16.3033 -15.6190 -15.6170 -15.6001 -15.5989 -15.5783 -15.5765 -6.7563 -6.7540 -5.6348 -5.6344 -5.0903 -5.0859 -3.8219 -3.8175 -3.4861 -3.4857 -3.1886 -3.1866 -1.4427 -1.4425 -1.1466 -1.1358 -1.0607 -1.0457 -0.3225 -0.3219 -0.3048 -0.3039 -0.2662 -0.2587 0.2379 0.2394 0.5056 0.5159 0.6069 0.6078 1.0837 1.0960 1.1418 1.1518 1.4425 1.4431 10.2168 10.2217 10.4637 10.4664 11.0379 11.0433 11.4463 11.4527 11.5293 11.5311 k = 0.3333 0.5774 0.2678 ( 4563 PWs) bands (ev): -17.1164 -17.1159 -16.7189 -16.7186 -16.3180 -16.3159 -15.6205 -15.6186 -15.5993 -15.5982 -15.5784 -15.5768 -6.7240 -6.7216 -5.6785 -5.6778 -5.0910 -5.0868 -3.8088 -3.8044 -3.4698 -3.4694 -3.2168 -3.2146 -1.4517 -1.4515 -1.1459 -1.1347 -1.0680 -1.0528 -0.3181 -0.3162 -0.3134 -0.3108 -0.2579 -0.2509 0.2713 0.2732 0.5330 0.5435 0.6325 0.6336 1.0691 1.0813 1.1242 1.1341 1.4162 1.4169 10.2121 10.2167 10.5034 10.5059 11.0749 11.0806 11.4335 11.4395 11.5683 11.5700 k = 0.3333 0.5774 0.2836 ( 4563 PWs) bands (ev): -17.1210 -17.1205 -16.7014 -16.7010 -16.3312 -16.3290 -15.6219 -15.6201 -15.5985 -15.5974 -15.5786 -15.5771 -6.6901 -6.6877 -5.7231 -5.7221 -5.0917 -5.0878 -3.7943 -3.7898 -3.4544 -3.4541 -3.2454 -3.2431 -1.4600 -1.4598 -1.1454 -1.1338 -1.0749 -1.0597 -0.3224 -0.3219 -0.3100 -0.3085 -0.2510 -0.2444 0.3063 0.3084 0.5607 0.5714 0.6582 0.6593 1.0540 1.0661 1.1055 1.1153 1.3891 1.3899 10.2063 10.2106 10.5460 10.5484 11.1134 11.1192 11.4233 11.4288 11.6089 11.6106 k = 0.3333 0.5774 0.2993 ( 4557 PWs) bands (ev): -17.1252 -17.1247 -16.6838 -16.6833 -16.3449 -16.3428 -15.6232 -15.6215 -15.5976 -15.5967 -15.5790 -15.5776 -6.6548 -6.6523 -5.7685 -5.7672 -5.0925 -5.0890 -3.7785 -3.7738 -3.4402 -3.4399 -3.2744 -3.2718 -1.4675 -1.4673 -1.1449 -1.1330 -1.0816 -1.0663 -0.3302 -0.3301 -0.3035 -0.3022 -0.2455 -0.2393 0.3425 0.3449 0.5885 0.5993 0.6836 0.6849 1.0383 1.0504 1.0861 1.0958 1.3612 1.3621 10.1999 10.2038 10.5917 10.5940 11.1532 11.1591 11.4154 11.4204 11.6505 11.6523 k = 0.3333 0.5774 0.3151 ( 4551 PWs) bands (ev): -17.1289 -17.1285 -16.6660 -16.6655 -16.3591 -16.3570 -15.6243 -15.6229 -15.5967 -15.5958 -15.5794 -15.5782 -6.6180 -6.6155 -5.8145 -5.8130 -5.0934 -5.0901 -3.7613 -3.7566 -3.4271 -3.4268 -3.3036 -3.3008 -1.4742 -1.4741 -1.1444 -1.1321 -1.0879 -1.0727 -0.3381 -0.3378 -0.2968 -0.2954 -0.2411 -0.2353 0.3796 0.3823 0.6162 0.6271 0.7084 0.7098 1.0221 1.0341 1.0663 1.0760 1.3326 1.3335 10.1929 10.1965 10.6404 10.6426 11.1941 11.2000 11.4096 11.4141 11.6919 11.6938 k = 0.3333 0.5774 0.3308 ( 4551 PWs) bands (ev): -17.1323 -17.1319 -16.6482 -16.6475 -16.3738 -16.3718 -15.6254 -15.6241 -15.5957 -15.5950 -15.5799 -15.5789 -6.5800 -6.5773 -5.8611 -5.8594 -5.0942 -5.0913 -3.7430 -3.7382 -3.4153 -3.4150 -3.3328 -3.3299 -1.4802 -1.4801 -1.1438 -1.1312 -1.0940 -1.0787 -0.3454 -0.3452 -0.2901 -0.2884 -0.2378 -0.2324 0.4174 0.4203 0.6436 0.6547 0.7319 0.7335 1.0053 1.0173 1.0467 1.0564 1.3034 1.3045 10.1857 10.1890 10.6921 10.6943 11.2355 11.2413 11.4057 11.4097 11.7298 11.7317 k = 0.3333 0.5774 0.3466 ( 4551 PWs) bands (ev): -17.1352 -17.1348 -16.6303 -16.6295 -16.3890 -16.3870 -15.6263 -15.6252 -15.5947 -15.5941 -15.5804 -15.5797 -6.5406 -6.5379 -5.9080 -5.9061 -5.0950 -5.0924 -3.7234 -3.7186 -3.4048 -3.4045 -3.3620 -3.3590 -1.4855 -1.4854 -1.1430 -1.1301 -1.0997 -1.0844 -0.3522 -0.3519 -0.2834 -0.2816 -0.2357 -0.2306 0.4555 0.4586 0.6708 0.6820 0.7530 0.7547 0.9880 0.9998 1.0285 1.0381 1.2737 1.2750 10.1786 10.1814 10.7467 10.7489 11.2768 11.2821 11.4032 11.4067 11.7522 11.7546 k = 0.3333 0.5774 0.3623 ( 4530 PWs) bands (ev): -17.1377 -17.1374 -16.6123 -16.6114 -16.4046 -16.4027 -15.6271 -15.6261 -15.5936 -15.5932 -15.5811 -15.5805 -6.5001 -6.4974 -5.9552 -5.9532 -5.0957 -5.0935 -3.7027 -3.6980 -3.3965 -3.3952 -3.3901 -3.3879 -1.4901 -1.4900 -1.1420 -1.1288 -1.1050 -1.0898 -0.3583 -0.3580 -0.2769 -0.2748 -0.2344 -0.2297 0.4937 0.4969 0.6974 0.7088 0.7703 0.7720 0.9700 0.9818 1.0132 1.0227 1.2438 1.2452 10.1718 10.1743 10.8043 10.8064 11.3165 11.3210 11.4019 11.4049 11.7332 11.7376 k = 0.3333 0.5774 0.3781 ( 4542 PWs) bands (ev): -17.1399 -17.1396 -16.5943 -16.5933 -16.4206 -16.4187 -15.6278 -15.6270 -15.5925 -15.5922 -15.5817 -15.5814 -6.4585 -6.4557 -6.0025 -6.0003 -5.0963 -5.0945 -3.6810 -3.6763 -3.4204 -3.4167 -3.3874 -3.3873 -1.4939 -1.4938 -1.1408 -1.1273 -1.1100 -1.0949 -0.3636 -0.3633 -0.2706 -0.2683 -0.2341 -0.2297 0.5317 0.5350 0.7234 0.7350 0.7815 0.7828 0.9515 0.9631 1.0033 1.0123 1.2137 1.2152 10.1656 10.1676 10.8646 10.8668 11.3515 11.3543 11.4014 11.4039 11.6804 11.6877 k = 0.3333 0.5774 0.3938 ( 4554 PWs) bands (ev): -17.1416 -17.1414 -16.5763 -16.5753 -16.4370 -16.4352 -15.6284 -15.6277 -15.5914 -15.5913 -15.5825 -15.5824 -6.4159 -6.4131 -6.0499 -6.0476 -5.0968 -5.0953 -3.6583 -3.6537 -3.4490 -3.4452 -3.3809 -3.3809 -1.4970 -1.4969 -1.1392 -1.1256 -1.1147 -1.0996 -0.3680 -0.3677 -0.2646 -0.2620 -0.2347 -0.2306 0.5692 0.5726 0.7485 0.7605 0.7845 0.7847 0.9323 0.9438 1.0013 1.0095 1.1836 1.1853 10.1602 10.1618 10.9276 10.9298 11.3735 11.3737 11.4015 11.4035 11.6287 11.6396 k = 0.3333 0.5774 0.4096 ( 4554 PWs) bands (ev): -17.1430 -17.1428 -16.5584 -16.5572 -16.4536 -16.4519 -15.6288 -15.6283 -15.5905 -15.5902 -15.5834 -15.5832 -6.3723 -6.3696 -6.0971 -6.0947 -5.0972 -5.0961 -3.6347 -3.6301 -3.4772 -3.4733 -3.3759 -3.3759 -1.4994 -1.4994 -1.1374 -1.1236 -1.1190 -1.1040 -0.3715 -0.3713 -0.2591 -0.2562 -0.2360 -0.2323 0.6058 0.6092 0.7692 0.7767 0.7815 0.7853 0.9126 0.9240 1.0082 1.0153 1.1538 1.1558 10.1558 10.1571 10.9930 10.9953 11.3650 11.3683 11.4019 11.4034 11.6030 11.6177 k = 0.3333 0.5774 0.4253 ( 4542 PWs) bands (ev): -17.1439 -17.1438 -16.5406 -16.5393 -16.4706 -16.4690 -15.6291 -15.6287 -15.5897 -15.5890 -15.5845 -15.5838 -6.3280 -6.3252 -6.1441 -6.1416 -5.0974 -5.0966 -3.6102 -3.6057 -3.5050 -3.5010 -3.3722 -3.3722 -1.5011 -1.5011 -1.1352 -1.1230 -1.1213 -1.1080 -0.3740 -0.3738 -0.2540 -0.2507 -0.2380 -0.2346 0.6412 0.6446 0.7594 0.7600 0.7992 0.8090 0.8926 0.9036 1.0230 1.0291 1.1247 1.1268 10.1527 10.1535 11.0604 11.0629 11.3245 11.3288 11.4024 11.4034 11.6127 11.6289 k = 0.3333 0.5774 0.4411 ( 4542 PWs) bands (ev): -17.1445 -17.1444 -16.5229 -16.5215 -16.4878 -16.4863 -15.6292 -15.6290 -15.5892 -15.5879 -15.5856 -15.5843 -6.2829 -6.2802 -6.1908 -6.1882 -5.0974 -5.0971 -3.5850 -3.5806 -3.5323 -3.5281 -3.3701 -3.3700 -1.5021 -1.5021 -1.1327 -1.1266 -1.1188 -1.1115 -0.3755 -0.3754 -0.2496 -0.2458 -0.2405 -0.2377 0.6744 0.6782 0.7369 0.7370 0.8211 0.8304 0.8736 0.8833 1.0432 1.0488 1.0968 1.0988 10.1508 10.1512 11.1292 11.1319 11.2651 11.2689 11.4029 11.4034 11.6449 11.6614 k = 0.3333 0.5774 0.4569 ( 4536 PWs) bands (ev): -17.1447 -17.1447 -16.5064 -16.5041 -16.5038 -16.5038 -15.6292 -15.6292 -15.5889 -15.5867 -15.5867 -15.5845 -6.2395 -6.2347 -6.2345 -6.2345 -5.0973 -5.0973 -3.5590 -3.5590 -3.5553 -3.5540 -3.3693 -3.3693 -1.5025 -1.5025 -1.1298 -1.1298 -1.1171 -1.1136 -0.3760 -0.3760 -0.2473 -0.2423 -0.2415 -0.2415 0.6985 0.7094 0.7094 0.7161 0.8380 0.8380 0.8668 0.8668 1.0611 1.0725 1.0725 1.0765 10.1503 10.1503 11.1982 11.1982 11.2002 11.2026 11.4032 11.4032 11.6812 11.6950 Writing output data file SiO2.save init_run : 2.18s CPU 11.44s WALL ( 1 calls) electrons : 940.71s CPU 948.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.33s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 940.69s CPU 948.62s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.96s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.15s CPU 0.59s WALL ( 1 calls) newd : 0.28s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 294 calls) cegterg : 905.04s CPU 910.23s WALL ( 906 calls) Called by sum_band: Called by *egterg: h_psi : 304.38s CPU 313.88s WALL ( 17232 calls) s_psi : 22.12s CPU 22.92s WALL ( 17232 calls) g_psi : 0.89s CPU 0.94s WALL ( 16032 calls) cdiaghg : 434.04s CPU 430.31s WALL ( 16326 calls) cegterg:over : 79.31s CPU 75.51s WALL ( 16032 calls) cegterg:upda : 17.94s CPU 22.62s WALL ( 16032 calls) cegterg:last : 13.69s CPU 14.48s WALL ( 2212 calls) Called by h_psi: h_psi:vloc : 242.28s CPU 250.20s WALL ( 17232 calls) h_psi:vnl : 61.79s CPU 62.64s WALL ( 17232 calls) add_vuspsi : 15.11s CPU 19.30s WALL ( 17232 calls) General routines calbec : 46.63s CPU 43.22s WALL ( 17232 calls) fft : 0.65s CPU 1.36s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 227.40s CPU 232.51s WALL ( 1557736 calls) interpolate : 0.04s CPU 0.05s WALL ( 4 calls) davcio : 0.03s CPU 0.85s WALL ( 588 calls) Parallel routines fft_scatter : 143.53s CPU 146.04s WALL ( 1557759 calls) PWSCF : 16m31.04s CPU 18m41.03s WALL This run was terminated on: 8:57:35 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=