Program PWSCF v.5.1.1 starts on 23Jul2015 at 13:12:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), 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: ./Rb2Te.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 23 6 1955 772 118 Max 44 24 7 1963 785 127 Sum 2065 1123 313 94105 37405 5871 bravais-lattice index = 14 lattice parameter (alat) = 10.7473 a.u. unit-cell volume = 1337.4408 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.747330 celldm(2)= 1.000000 celldm(3)= 1.243661 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.499515 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.499515 0.866305 0.000000 ) a(3) = ( 0.000000 0.000000 1.243661 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.576604 -0.000000 ) b(2) = ( 0.000000 1.154328 -0.000000 ) b(3) = ( 0.000000 0.000000 0.804078 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /home/autes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Rb 9.00 85.46780 Rb( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6218304 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 318 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0090119 0.0155990 -0.0000000), wk = 0.0031447 k( 3) = ( 0.0180239 0.0311980 -0.0000000), wk = 0.0031447 k( 4) = ( 0.0270358 0.0467971 -0.0000000), wk = 0.0031447 k( 5) = ( 0.0360477 0.0623961 -0.0000000), wk = 0.0031447 k( 6) = ( 0.0450596 0.0779951 -0.0000000), wk = 0.0031447 k( 7) = ( 0.0540715 0.0935941 -0.0000000), wk = 0.0031447 k( 8) = ( 0.0630835 0.1091931 -0.0000000), wk = 0.0031447 k( 9) = ( 0.0720954 0.1247922 -0.0000000), wk = 0.0031447 k( 10) = ( 0.0811073 0.1403912 -0.0000000), wk = 0.0031447 k( 11) = ( 0.0901192 0.1559902 -0.0000000), wk = 0.0031447 k( 12) = ( 0.0991312 0.1715892 -0.0000000), wk = 0.0031447 k( 13) = ( 0.1081431 0.1871882 -0.0000000), wk = 0.0031447 k( 14) = ( 0.1171550 0.2027873 -0.0000000), wk = 0.0031447 k( 15) = ( 0.1261669 0.2183863 -0.0000000), wk = 0.0031447 k( 16) = ( 0.1351788 0.2339853 -0.0000000), wk = 0.0031447 k( 17) = ( 0.1441908 0.2495843 -0.0000000), wk = 0.0031447 k( 18) = ( 0.1532027 0.2651834 -0.0000000), wk = 0.0031447 k( 19) = ( 0.1622146 0.2807824 -0.0000000), wk = 0.0031447 k( 20) = ( 0.1712265 0.2963814 -0.0000000), wk = 0.0031447 k( 21) = ( 0.1802385 0.3119804 -0.0000000), wk = 0.0031447 k( 22) = ( 0.1892504 0.3275794 -0.0000000), wk = 0.0031447 k( 23) = ( 0.1982623 0.3431785 -0.0000000), wk = 0.0031447 k( 24) = ( 0.2072742 0.3587775 -0.0000000), wk = 0.0031447 k( 25) = ( 0.2162862 0.3743765 -0.0000000), wk = 0.0031447 k( 26) = ( 0.2252981 0.3899755 -0.0000000), wk = 0.0031447 k( 27) = ( 0.2343100 0.4055746 -0.0000000), wk = 0.0031447 k( 28) = ( 0.2433219 0.4211736 -0.0000000), wk = 0.0031447 k( 29) = ( 0.2523338 0.4367726 -0.0000000), wk = 0.0031447 k( 30) = ( 0.2613458 0.4523716 -0.0000000), wk = 0.0031447 k( 31) = ( 0.2703577 0.4679706 -0.0000000), wk = 0.0031447 k( 32) = ( 0.2793696 0.4835696 -0.0000000), wk = 0.0031447 k( 33) = ( 0.2883815 0.4991687 -0.0000000), wk = 0.0031447 k( 34) = ( 0.2973935 0.5147677 -0.0000000), wk = 0.0031447 k( 35) = ( 0.3064054 0.5303667 -0.0000000), wk = 0.0031447 k( 36) = ( 0.3154173 0.5459657 -0.0000000), wk = 0.0031447 k( 37) = ( 0.3244292 0.5615647 -0.0000000), wk = 0.0031447 k( 38) = ( 0.3334412 0.5771638 -0.0000000), wk = 0.0031447 k( 39) = ( 0.3334412 0.5771638 -0.0000000), wk = 0.0031447 k( 40) = ( 0.3158916 0.5771638 -0.0000000), wk = 0.0031447 k( 41) = ( 0.2983421 0.5771638 -0.0000000), wk = 0.0031447 k( 42) = ( 0.2807925 0.5771638 -0.0000000), wk = 0.0031447 k( 43) = ( 0.2632430 0.5771638 -0.0000000), wk = 0.0031447 k( 44) = ( 0.2456935 0.5771638 -0.0000000), wk = 0.0031447 k( 45) = ( 0.2281439 0.5771638 -0.0000000), wk = 0.0031447 k( 46) = ( 0.2105944 0.5771638 -0.0000000), wk = 0.0031447 k( 47) = ( 0.1930449 0.5771638 -0.0000000), wk = 0.0031447 k( 48) = ( 0.1754953 0.5771638 -0.0000000), wk = 0.0031447 k( 49) = ( 0.1579458 0.5771638 -0.0000000), wk = 0.0031447 k( 50) = ( 0.1403963 0.5771638 -0.0000000), wk = 0.0031447 k( 51) = ( 0.1228467 0.5771638 -0.0000000), wk = 0.0031447 k( 52) = ( 0.1052972 0.5771638 -0.0000000), wk = 0.0031447 k( 53) = ( 0.0877477 0.5771638 -0.0000000), wk = 0.0031447 k( 54) = ( 0.0701981 0.5771638 -0.0000000), wk = 0.0031447 k( 55) = ( 0.0526486 0.5771638 -0.0000000), wk = 0.0031447 k( 56) = ( 0.0350991 0.5771638 -0.0000000), wk = 0.0031447 k( 57) = ( 0.0175495 0.5771638 -0.0000000), wk = 0.0031447 k( 58) = ( 0.0000000 0.5771638 -0.0000000), wk = 0.0031447 k( 59) = ( 0.0000000 0.5771638 -0.0000000), wk = 0.0031447 k( 60) = ( 0.0000000 0.5771638 0.0174800), wk = 0.0031447 k( 61) = ( 0.0000000 0.5771638 0.0349599), wk = 0.0031447 k( 62) = ( 0.0000000 0.5771638 0.0524399), wk = 0.0031447 k( 63) = ( 0.0000000 0.5771638 0.0699198), wk = 0.0031447 k( 64) = ( 0.0000000 0.5771638 0.0873998), wk = 0.0031447 k( 65) = ( 0.0000000 0.5771638 0.1048797), wk = 0.0031447 k( 66) = ( 0.0000000 0.5771638 0.1223597), wk = 0.0031447 k( 67) = ( 0.0000000 0.5771638 0.1398396), wk = 0.0031447 k( 68) = ( 0.0000000 0.5771638 0.1573196), wk = 0.0031447 k( 69) = ( 0.0000000 0.5771638 0.1747995), wk = 0.0031447 k( 70) = ( 0.0000000 0.5771638 0.1922795), wk = 0.0031447 k( 71) = ( 0.0000000 0.5771638 0.2097594), wk = 0.0031447 k( 72) = ( 0.0000000 0.5771638 0.2272394), wk = 0.0031447 k( 73) = ( 0.0000000 0.5771638 0.2447193), wk = 0.0031447 k( 74) = ( 0.0000000 0.5771638 0.2621993), wk = 0.0031447 k( 75) = ( 0.0000000 0.5771638 0.2796792), wk = 0.0031447 k( 76) = ( 0.0000000 0.5771638 0.2971592), wk = 0.0031447 k( 77) = ( 0.0000000 0.5771638 0.3146391), wk = 0.0031447 k( 78) = ( 0.0000000 0.5771638 0.3321191), wk = 0.0031447 k( 79) = ( 0.0000000 0.5771638 0.3495990), wk = 0.0031447 k( 80) = ( 0.0000000 0.5771638 0.3670790), wk = 0.0031447 k( 81) = ( 0.0000000 0.5771638 0.3845590), wk = 0.0031447 k( 82) = ( 0.0000000 0.5771638 0.4020389), wk = 0.0031447 k( 83) = ( 0.0000000 0.5771638 0.4020389), wk = 0.0031447 k( 84) = ( 0.0175495 0.5771638 0.4020389), wk = 0.0031447 k( 85) = ( 0.0350991 0.5771638 0.4020389), wk = 0.0031447 k( 86) = ( 0.0526486 0.5771638 0.4020389), wk = 0.0031447 k( 87) = ( 0.0701981 0.5771638 0.4020389), wk = 0.0031447 k( 88) = ( 0.0877477 0.5771638 0.4020389), wk = 0.0031447 k( 89) = ( 0.1052972 0.5771638 0.4020389), wk = 0.0031447 k( 90) = ( 0.1228467 0.5771638 0.4020389), wk = 0.0031447 k( 91) = ( 0.1403963 0.5771638 0.4020389), wk = 0.0031447 k( 92) = ( 0.1579458 0.5771638 0.4020389), wk = 0.0031447 k( 93) = ( 0.1754953 0.5771638 0.4020389), wk = 0.0031447 k( 94) = ( 0.1930449 0.5771638 0.4020389), wk = 0.0031447 k( 95) = ( 0.2105944 0.5771638 0.4020389), wk = 0.0031447 k( 96) = ( 0.2281439 0.5771638 0.4020389), wk = 0.0031447 k( 97) = ( 0.2456935 0.5771638 0.4020389), wk = 0.0031447 k( 98) = ( 0.2632430 0.5771638 0.4020389), wk = 0.0031447 k( 99) = ( 0.2807925 0.5771638 0.4020389), wk = 0.0031447 k( 100) = ( 0.2983421 0.5771638 0.4020389), wk = 0.0031447 k( 101) = ( 0.3158916 0.5771638 0.4020389), wk = 0.0031447 k( 102) = ( 0.3334412 0.5771638 0.4020389), wk = 0.0031447 k( 103) = ( 0.3334412 0.5771638 0.4020389), wk = 0.0031447 k( 104) = ( 0.3244292 0.5615647 0.4020389), wk = 0.0031447 k( 105) = ( 0.3154173 0.5459657 0.4020389), wk = 0.0031447 k( 106) = ( 0.3064054 0.5303667 0.4020389), wk = 0.0031447 k( 107) = ( 0.2973935 0.5147677 0.4020389), wk = 0.0031447 k( 108) = ( 0.2883815 0.4991687 0.4020389), wk = 0.0031447 k( 109) = ( 0.2793696 0.4835696 0.4020389), wk = 0.0031447 k( 110) = ( 0.2703577 0.4679706 0.4020389), wk = 0.0031447 k( 111) = ( 0.2613458 0.4523716 0.4020389), wk = 0.0031447 k( 112) = ( 0.2523338 0.4367726 0.4020389), wk = 0.0031447 k( 113) = ( 0.2433219 0.4211736 0.4020389), wk = 0.0031447 k( 114) = ( 0.2343100 0.4055746 0.4020389), wk = 0.0031447 k( 115) = ( 0.2252981 0.3899755 0.4020389), wk = 0.0031447 k( 116) = ( 0.2162862 0.3743765 0.4020389), wk = 0.0031447 k( 117) = ( 0.2072742 0.3587775 0.4020389), wk = 0.0031447 k( 118) = ( 0.1982623 0.3431785 0.4020389), wk = 0.0031447 k( 119) = ( 0.1892504 0.3275794 0.4020389), wk = 0.0031447 k( 120) = ( 0.1802385 0.3119804 0.4020389), wk = 0.0031447 k( 121) = ( 0.1712265 0.2963814 0.4020389), wk = 0.0031447 k( 122) = ( 0.1622146 0.2807824 0.4020389), wk = 0.0031447 k( 123) = ( 0.1532027 0.2651834 0.4020389), wk = 0.0031447 k( 124) = ( 0.1441908 0.2495843 0.4020389), wk = 0.0031447 k( 125) = ( 0.1351788 0.2339853 0.4020389), wk = 0.0031447 k( 126) = ( 0.1261669 0.2183863 0.4020389), wk = 0.0031447 k( 127) = ( 0.1171550 0.2027873 0.4020389), wk = 0.0031447 k( 128) = ( 0.1081431 0.1871882 0.4020389), wk = 0.0031447 k( 129) = ( 0.0991312 0.1715892 0.4020389), wk = 0.0031447 k( 130) = ( 0.0901192 0.1559902 0.4020389), wk = 0.0031447 k( 131) = ( 0.0811073 0.1403912 0.4020389), wk = 0.0031447 k( 132) = ( 0.0720954 0.1247922 0.4020389), wk = 0.0031447 k( 133) = ( 0.0630835 0.1091931 0.4020389), wk = 0.0031447 k( 134) = ( 0.0540715 0.0935941 0.4020389), wk = 0.0031447 k( 135) = ( 0.0450596 0.0779951 0.4020389), wk = 0.0031447 k( 136) = ( 0.0360477 0.0623961 0.4020389), wk = 0.0031447 k( 137) = ( 0.0270358 0.0467971 0.4020389), wk = 0.0031447 k( 138) = ( 0.0180239 0.0311980 0.4020389), wk = 0.0031447 k( 139) = ( 0.0090119 0.0155990 0.4020389), wk = 0.0031447 k( 140) = ( 0.0000000 0.0000000 0.4020389), wk = 0.0031447 k( 141) = ( 0.0000000 0.0000000 0.4020389), wk = 0.0031447 k( 142) = ( 0.0000000 0.0000000 0.3845590), wk = 0.0031447 k( 143) = ( 0.0000000 0.0000000 0.3670790), wk = 0.0031447 k( 144) = ( 0.0000000 0.0000000 0.3495990), wk = 0.0031447 k( 145) = ( 0.0000000 0.0000000 0.3321191), wk = 0.0031447 k( 146) = ( 0.0000000 0.0000000 0.3146391), wk = 0.0031447 k( 147) = ( 0.0000000 0.0000000 0.2971592), wk = 0.0031447 k( 148) = ( 0.0000000 0.0000000 0.2796792), wk = 0.0031447 k( 149) = ( 0.0000000 0.0000000 0.2621993), wk = 0.0031447 k( 150) = ( 0.0000000 0.0000000 0.2447193), wk = 0.0031447 k( 151) = ( 0.0000000 0.0000000 0.2272394), wk = 0.0031447 k( 152) = ( 0.0000000 0.0000000 0.2097594), wk = 0.0031447 k( 153) = ( 0.0000000 0.0000000 0.1922795), wk = 0.0031447 k( 154) = ( 0.0000000 0.0000000 0.1747995), wk = 0.0031447 k( 155) = ( 0.0000000 0.0000000 0.1573196), wk = 0.0031447 k( 156) = ( 0.0000000 0.0000000 0.1398396), wk = 0.0031447 k( 157) = ( 0.0000000 0.0000000 0.1223597), wk = 0.0031447 k( 158) = ( 0.0000000 0.0000000 0.1048797), wk = 0.0031447 k( 159) = ( 0.0000000 0.0000000 0.0873998), wk = 0.0031447 k( 160) = ( 0.0000000 0.0000000 0.0699198), wk = 0.0031447 k( 161) = ( 0.0000000 0.0000000 0.0524399), wk = 0.0031447 k( 162) = ( 0.0000000 0.0000000 0.0349599), wk = 0.0031447 k( 163) = ( 0.0000000 0.0000000 0.0174800), wk = 0.0031447 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 166) = ( -0.0156250 0.0090269 -0.0000000), wk = 0.0031447 k( 167) = ( -0.0312500 0.0180539 -0.0000000), wk = 0.0031447 k( 168) = ( -0.0468750 0.0270808 -0.0000000), wk = 0.0031447 k( 169) = ( -0.0625000 0.0361077 -0.0000000), wk = 0.0031447 k( 170) = ( -0.0781250 0.0451347 -0.0000000), wk = 0.0031447 k( 171) = ( -0.0937500 0.0541616 -0.0000000), wk = 0.0031447 k( 172) = ( -0.1093750 0.0631885 -0.0000000), wk = 0.0031447 k( 173) = ( -0.1250000 0.0722155 -0.0000000), wk = 0.0031447 k( 174) = ( -0.1406250 0.0812424 0.0000000), wk = 0.0031447 k( 175) = ( -0.1562500 0.0902693 -0.0000000), wk = 0.0031447 k( 176) = ( -0.1718750 0.0992962 -0.0000000), wk = 0.0031447 k( 177) = ( -0.1875000 0.1083232 -0.0000000), wk = 0.0031447 k( 178) = ( -0.2031250 0.1173501 0.0000000), wk = 0.0031447 k( 179) = ( -0.2187500 0.1263770 -0.0000000), wk = 0.0031447 k( 180) = ( -0.2343750 0.1354040 -0.0000000), wk = 0.0031447 k( 181) = ( -0.2500000 0.1444309 -0.0000000), wk = 0.0031447 k( 182) = ( -0.2656250 0.1534578 -0.0000000), wk = 0.0031447 k( 183) = ( -0.2812500 0.1624848 0.0000000), wk = 0.0031447 k( 184) = ( -0.2968750 0.1715117 -0.0000000), wk = 0.0031447 k( 185) = ( -0.3125000 0.1805386 -0.0000000), wk = 0.0031447 k( 186) = ( -0.3281250 0.1895656 0.0000000), wk = 0.0031447 k( 187) = ( -0.3437500 0.1985925 -0.0000000), wk = 0.0031447 k( 188) = ( -0.3593750 0.2076194 -0.0000000), wk = 0.0031447 k( 189) = ( -0.3750000 0.2166464 -0.0000000), wk = 0.0031447 k( 190) = ( -0.3906250 0.2256733 -0.0000000), wk = 0.0031447 k( 191) = ( -0.4062500 0.2347002 0.0000000), wk = 0.0031447 k( 192) = ( -0.4218750 0.2437272 -0.0000000), wk = 0.0031447 k( 193) = ( -0.4375000 0.2527541 -0.0000000), wk = 0.0031447 k( 194) = ( -0.4531250 0.2617810 -0.0000000), wk = 0.0031447 k( 195) = ( -0.4687500 0.2708080 -0.0000000), wk = 0.0031447 k( 196) = ( -0.4843750 0.2798349 -0.0000000), wk = 0.0031447 k( 197) = ( -0.5000000 0.2888618 -0.0000000), wk = 0.0031447 k( 198) = ( -0.5000000 0.2888618 -0.0000000), wk = 0.0031447 k( 199) = ( -0.4912337 0.3040356 -0.0000000), wk = 0.0031447 k( 200) = ( -0.4824675 0.3192094 -0.0000000), wk = 0.0031447 k( 201) = ( -0.4737012 0.3343832 -0.0000000), wk = 0.0031447 k( 202) = ( -0.4649350 0.3495570 -0.0000000), wk = 0.0031447 k( 203) = ( -0.4561687 0.3647308 -0.0000000), wk = 0.0031447 k( 204) = ( -0.4474025 0.3799045 -0.0000000), wk = 0.0031447 k( 205) = ( -0.4386362 0.3950783 -0.0000000), wk = 0.0031447 k( 206) = ( -0.4298700 0.4102521 -0.0000000), wk = 0.0031447 k( 207) = ( -0.4211037 0.4254259 -0.0000000), wk = 0.0031447 k( 208) = ( -0.4123374 0.4405997 -0.0000000), wk = 0.0031447 k( 209) = ( -0.4035712 0.4557735 -0.0000000), wk = 0.0031447 k( 210) = ( -0.3948049 0.4709473 -0.0000000), wk = 0.0031447 k( 211) = ( -0.3860387 0.4861210 -0.0000000), wk = 0.0031447 k( 212) = ( -0.3772724 0.5012948 -0.0000000), wk = 0.0031447 k( 213) = ( -0.3685062 0.5164686 -0.0000000), wk = 0.0031447 k( 214) = ( -0.3597399 0.5316424 -0.0000000), wk = 0.0031447 k( 215) = ( -0.3509737 0.5468162 -0.0000000), wk = 0.0031447 k( 216) = ( -0.3422074 0.5619900 -0.0000000), wk = 0.0031447 k( 217) = ( -0.3334412 0.5771638 -0.0000000), wk = 0.0031447 k( 218) = ( -0.3334412 0.5771638 -0.0000000), wk = 0.0031447 k( 219) = ( -0.3334412 0.5771638 0.0174800), wk = 0.0031447 k( 220) = ( -0.3334412 0.5771638 0.0349599), wk = 0.0031447 k( 221) = ( -0.3334412 0.5771638 0.0524399), wk = 0.0031447 k( 222) = ( -0.3334412 0.5771638 0.0699198), wk = 0.0031447 k( 223) = ( -0.3334412 0.5771638 0.0873998), wk = 0.0031447 k( 224) = ( -0.3334412 0.5771638 0.1048797), wk = 0.0031447 k( 225) = ( -0.3334412 0.5771638 0.1223597), wk = 0.0031447 k( 226) = ( -0.3334412 0.5771638 0.1398396), wk = 0.0031447 k( 227) = ( -0.3334412 0.5771638 0.1573196), wk = 0.0031447 k( 228) = ( -0.3334412 0.5771638 0.1747995), wk = 0.0031447 k( 229) = ( -0.3334412 0.5771638 0.1922795), wk = 0.0031447 k( 230) = ( -0.3334412 0.5771638 0.2097594), wk = 0.0031447 k( 231) = ( -0.3334412 0.5771638 0.2272394), wk = 0.0031447 k( 232) = ( -0.3334412 0.5771638 0.2447193), wk = 0.0031447 k( 233) = ( -0.3334412 0.5771638 0.2621993), wk = 0.0031447 k( 234) = ( -0.3334412 0.5771638 0.2796792), wk = 0.0031447 k( 235) = ( -0.3334412 0.5771638 0.2971592), wk = 0.0031447 k( 236) = ( -0.3334412 0.5771638 0.3146391), wk = 0.0031447 k( 237) = ( -0.3334412 0.5771638 0.3321191), wk = 0.0031447 k( 238) = ( -0.3334412 0.5771638 0.3495990), wk = 0.0031447 k( 239) = ( -0.3334412 0.5771638 0.3670790), wk = 0.0031447 k( 240) = ( -0.3334412 0.5771638 0.3845590), wk = 0.0031447 k( 241) = ( -0.3334412 0.5771638 0.4020389), wk = 0.0031447 k( 242) = ( -0.3334412 0.5771638 0.4020389), wk = 0.0031447 k( 243) = ( -0.3422074 0.5619900 0.4020389), wk = 0.0031447 k( 244) = ( -0.3509737 0.5468162 0.4020389), wk = 0.0031447 k( 245) = ( -0.3597399 0.5316424 0.4020389), wk = 0.0031447 k( 246) = ( -0.3685062 0.5164686 0.4020389), wk = 0.0031447 k( 247) = ( -0.3772724 0.5012948 0.4020389), wk = 0.0031447 k( 248) = ( -0.3860387 0.4861210 0.4020389), wk = 0.0031447 k( 249) = ( -0.3948049 0.4709473 0.4020389), wk = 0.0031447 k( 250) = ( -0.4035712 0.4557735 0.4020389), wk = 0.0031447 k( 251) = ( -0.4123374 0.4405997 0.4020389), wk = 0.0031447 k( 252) = ( -0.4211037 0.4254259 0.4020389), wk = 0.0031447 k( 253) = ( -0.4298700 0.4102521 0.4020389), wk = 0.0031447 k( 254) = ( -0.4386362 0.3950783 0.4020389), wk = 0.0031447 k( 255) = ( -0.4474025 0.3799045 0.4020389), wk = 0.0031447 k( 256) = ( -0.4561687 0.3647308 0.4020389), wk = 0.0031447 k( 257) = ( -0.4649350 0.3495570 0.4020389), wk = 0.0031447 k( 258) = ( -0.4737012 0.3343832 0.4020389), wk = 0.0031447 k( 259) = ( -0.4824675 0.3192094 0.4020389), wk = 0.0031447 k( 260) = ( -0.4912337 0.3040356 0.4020389), wk = 0.0031447 k( 261) = ( -0.5000000 0.2888618 0.4020389), wk = 0.0031447 k( 262) = ( -0.5000000 0.2888618 0.4020389), wk = 0.0031447 k( 263) = ( -0.5000000 0.2888618 0.3845590), wk = 0.0031447 k( 264) = ( -0.5000000 0.2888618 0.3670790), wk = 0.0031447 k( 265) = ( -0.5000000 0.2888618 0.3495990), wk = 0.0031447 k( 266) = ( -0.5000000 0.2888618 0.3321191), wk = 0.0031447 k( 267) = ( -0.5000000 0.2888618 0.3146391), wk = 0.0031447 k( 268) = ( -0.5000000 0.2888618 0.2971592), wk = 0.0031447 k( 269) = ( -0.5000000 0.2888618 0.2796792), wk = 0.0031447 k( 270) = ( -0.5000000 0.2888618 0.2621993), wk = 0.0031447 k( 271) = ( -0.5000000 0.2888618 0.2447193), wk = 0.0031447 k( 272) = ( -0.5000000 0.2888618 0.2272394), wk = 0.0031447 k( 273) = ( -0.5000000 0.2888618 0.2097594), wk = 0.0031447 k( 274) = ( -0.5000000 0.2888618 0.1922795), wk = 0.0031447 k( 275) = ( -0.5000000 0.2888618 0.1747995), wk = 0.0031447 k( 276) = ( -0.5000000 0.2888618 0.1573196), wk = 0.0031447 k( 277) = ( -0.5000000 0.2888618 0.1398396), wk = 0.0031447 k( 278) = ( -0.5000000 0.2888618 0.1223597), wk = 0.0031447 k( 279) = ( -0.5000000 0.2888618 0.1048797), wk = 0.0031447 k( 280) = ( -0.5000000 0.2888618 0.0873998), wk = 0.0031447 k( 281) = ( -0.5000000 0.2888618 0.0699198), wk = 0.0031447 k( 282) = ( -0.5000000 0.2888618 0.0524399), wk = 0.0031447 k( 283) = ( -0.5000000 0.2888618 0.0349599), wk = 0.0031447 k( 284) = ( -0.5000000 0.2888618 0.0174800), wk = 0.0031447 k( 285) = ( -0.5000000 0.2888618 -0.0000000), wk = 0.0031447 k( 286) = ( 0.0000000 0.0000000 0.4020389), wk = 0.0031447 k( 287) = ( -0.0156250 0.0090269 0.4020389), wk = 0.0031447 k( 288) = ( -0.0312500 0.0180539 0.4020389), wk = 0.0031447 k( 289) = ( -0.0468750 0.0270808 0.4020389), wk = 0.0031447 k( 290) = ( -0.0625000 0.0361077 0.4020389), wk = 0.0031447 k( 291) = ( -0.0781250 0.0451347 0.4020389), wk = 0.0031447 k( 292) = ( -0.0937500 0.0541616 0.4020389), wk = 0.0031447 k( 293) = ( -0.1093750 0.0631885 0.4020389), wk = 0.0031447 k( 294) = ( -0.1250000 0.0722155 0.4020389), wk = 0.0031447 k( 295) = ( -0.1406250 0.0812424 0.4020389), wk = 0.0031447 k( 296) = ( -0.1562500 0.0902693 0.4020389), wk = 0.0031447 k( 297) = ( -0.1718750 0.0992962 0.4020389), wk = 0.0031447 k( 298) = ( -0.1875000 0.1083232 0.4020389), wk = 0.0031447 k( 299) = ( -0.2031250 0.1173501 0.4020389), wk = 0.0031447 k( 300) = ( -0.2187500 0.1263770 0.4020389), wk = 0.0031447 k( 301) = ( -0.2343750 0.1354040 0.4020389), wk = 0.0031447 k( 302) = ( -0.2500000 0.1444309 0.4020389), wk = 0.0031447 k( 303) = ( -0.2656250 0.1534578 0.4020389), wk = 0.0031447 k( 304) = ( -0.2812500 0.1624848 0.4020389), wk = 0.0031447 k( 305) = ( -0.2968750 0.1715117 0.4020389), wk = 0.0031447 k( 306) = ( -0.3125000 0.1805386 0.4020389), wk = 0.0031447 k( 307) = ( -0.3281250 0.1895656 0.4020389), wk = 0.0031447 k( 308) = ( -0.3437500 0.1985925 0.4020389), wk = 0.0031447 k( 309) = ( -0.3593750 0.2076194 0.4020389), wk = 0.0031447 k( 310) = ( -0.3750000 0.2166464 0.4020389), wk = 0.0031447 k( 311) = ( -0.3906250 0.2256733 0.4020389), wk = 0.0031447 k( 312) = ( -0.4062500 0.2347002 0.4020389), wk = 0.0031447 k( 313) = ( -0.4218750 0.2437272 0.4020389), wk = 0.0031447 k( 314) = ( -0.4375000 0.2527541 0.4020389), wk = 0.0031447 k( 315) = ( -0.4531250 0.2617810 0.4020389), wk = 0.0031447 k( 316) = ( -0.4687500 0.2708080 0.4020389), wk = 0.0031447 k( 317) = ( -0.4843750 0.2798349 0.4020389), wk = 0.0031447 k( 318) = ( -0.5000000 0.2888618 0.4020389), wk = 0.0031447 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0090119 0.0090119 0.0000000), wk = 0.0031447 k( 3) = ( 0.0180239 0.0180239 0.0000000), wk = 0.0031447 k( 4) = ( 0.0270358 0.0270358 0.0000000), wk = 0.0031447 k( 5) = ( 0.0360477 0.0360477 0.0000000), wk = 0.0031447 k( 6) = ( 0.0450596 0.0450596 0.0000000), wk = 0.0031447 k( 7) = ( 0.0540715 0.0540715 0.0000000), wk = 0.0031447 k( 8) = ( 0.0630835 0.0630835 0.0000000), wk = 0.0031447 k( 9) = ( 0.0720954 0.0720954 0.0000000), wk = 0.0031447 k( 10) = ( 0.0811073 0.0811073 0.0000000), wk = 0.0031447 k( 11) = ( 0.0901192 0.0901192 0.0000000), wk = 0.0031447 k( 12) = ( 0.0991312 0.0991312 0.0000000), wk = 0.0031447 k( 13) = ( 0.1081431 0.1081431 0.0000000), wk = 0.0031447 k( 14) = ( 0.1171550 0.1171550 0.0000000), wk = 0.0031447 k( 15) = ( 0.1261669 0.1261669 0.0000000), wk = 0.0031447 k( 16) = ( 0.1351788 0.1351788 0.0000000), wk = 0.0031447 k( 17) = ( 0.1441908 0.1441908 0.0000000), wk = 0.0031447 k( 18) = ( 0.1532027 0.1532027 0.0000000), wk = 0.0031447 k( 19) = ( 0.1622146 0.1622146 0.0000000), wk = 0.0031447 k( 20) = ( 0.1712265 0.1712265 0.0000000), wk = 0.0031447 k( 21) = ( 0.1802385 0.1802385 0.0000000), wk = 0.0031447 k( 22) = ( 0.1892504 0.1892504 0.0000000), wk = 0.0031447 k( 23) = ( 0.1982623 0.1982623 0.0000000), wk = 0.0031447 k( 24) = ( 0.2072742 0.2072742 0.0000000), wk = 0.0031447 k( 25) = ( 0.2162862 0.2162862 0.0000000), wk = 0.0031447 k( 26) = ( 0.2252981 0.2252981 0.0000000), wk = 0.0031447 k( 27) = ( 0.2343100 0.2343100 0.0000000), wk = 0.0031447 k( 28) = ( 0.2433219 0.2433219 0.0000000), wk = 0.0031447 k( 29) = ( 0.2523338 0.2523338 0.0000000), wk = 0.0031447 k( 30) = ( 0.2613458 0.2613458 0.0000000), wk = 0.0031447 k( 31) = ( 0.2703577 0.2703577 -0.0000000), wk = 0.0031447 k( 32) = ( 0.2793696 0.2793696 0.0000000), wk = 0.0031447 k( 33) = ( 0.2883815 0.2883815 0.0000000), wk = 0.0031447 k( 34) = ( 0.2973935 0.2973935 0.0000000), wk = 0.0031447 k( 35) = ( 0.3064054 0.3064054 0.0000000), wk = 0.0031447 k( 36) = ( 0.3154173 0.3154173 0.0000000), wk = 0.0031447 k( 37) = ( 0.3244292 0.3244292 0.0000000), wk = 0.0031447 k( 38) = ( 0.3334412 0.3334412 0.0000000), wk = 0.0031447 k( 39) = ( 0.3334412 0.3334412 0.0000000), wk = 0.0031447 k( 40) = ( 0.3158916 0.3422074 0.0000000), wk = 0.0031447 k( 41) = ( 0.2983421 0.3509737 0.0000000), wk = 0.0031447 k( 42) = ( 0.2807925 0.3597399 0.0000000), wk = 0.0031447 k( 43) = ( 0.2632430 0.3685062 0.0000000), wk = 0.0031447 k( 44) = ( 0.2456935 0.3772724 -0.0000000), wk = 0.0031447 k( 45) = ( 0.2281439 0.3860387 0.0000000), wk = 0.0031447 k( 46) = ( 0.2105944 0.3948049 0.0000000), wk = 0.0031447 k( 47) = ( 0.1930449 0.4035712 0.0000000), wk = 0.0031447 k( 48) = ( 0.1754953 0.4123375 0.0000000), wk = 0.0031447 k( 49) = ( 0.1579458 0.4211037 0.0000000), wk = 0.0031447 k( 50) = ( 0.1403963 0.4298700 0.0000000), wk = 0.0031447 k( 51) = ( 0.1228467 0.4386362 0.0000000), wk = 0.0031447 k( 52) = ( 0.1052972 0.4474025 0.0000000), wk = 0.0031447 k( 53) = ( 0.0877477 0.4561687 0.0000000), wk = 0.0031447 k( 54) = ( 0.0701981 0.4649350 0.0000000), wk = 0.0031447 k( 55) = ( 0.0526486 0.4737012 0.0000000), wk = 0.0031447 k( 56) = ( 0.0350991 0.4824675 -0.0000000), wk = 0.0031447 k( 57) = ( 0.0175495 0.4912337 -0.0000000), wk = 0.0031447 k( 58) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031447 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031447 k( 60) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0031447 k( 61) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0031447 k( 62) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0031447 k( 63) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0031447 k( 64) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0031447 k( 65) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0031447 k( 66) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0031447 k( 67) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0031447 k( 68) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0031447 k( 69) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0031447 k( 70) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0031447 k( 71) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0031447 k( 72) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0031447 k( 73) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0031447 k( 74) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0031447 k( 75) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0031447 k( 76) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0031447 k( 77) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0031447 k( 78) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0031447 k( 79) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0031447 k( 80) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0031447 k( 81) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0031447 k( 82) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031447 k( 83) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031447 k( 84) = ( 0.0175495 0.4912337 0.5000000), wk = 0.0031447 k( 85) = ( 0.0350991 0.4824675 0.5000000), wk = 0.0031447 k( 86) = ( 0.0526486 0.4737012 0.5000000), wk = 0.0031447 k( 87) = ( 0.0701981 0.4649350 0.5000000), wk = 0.0031447 k( 88) = ( 0.0877477 0.4561687 0.5000000), wk = 0.0031447 k( 89) = ( 0.1052972 0.4474025 0.5000000), wk = 0.0031447 k( 90) = ( 0.1228467 0.4386362 0.5000000), wk = 0.0031447 k( 91) = ( 0.1403963 0.4298700 0.5000000), wk = 0.0031447 k( 92) = ( 0.1579458 0.4211037 0.5000000), wk = 0.0031447 k( 93) = ( 0.1754953 0.4123375 0.5000000), wk = 0.0031447 k( 94) = ( 0.1930449 0.4035712 0.5000000), wk = 0.0031447 k( 95) = ( 0.2105944 0.3948049 0.5000000), wk = 0.0031447 k( 96) = ( 0.2281439 0.3860387 0.5000000), wk = 0.0031447 k( 97) = ( 0.2456935 0.3772724 0.5000000), wk = 0.0031447 k( 98) = ( 0.2632430 0.3685062 0.5000000), wk = 0.0031447 k( 99) = ( 0.2807925 0.3597399 0.5000000), wk = 0.0031447 k( 100) = ( 0.2983421 0.3509737 0.5000000), wk = 0.0031447 k( 101) = ( 0.3158916 0.3422074 0.5000000), wk = 0.0031447 k( 102) = ( 0.3334412 0.3334412 0.5000000), wk = 0.0031447 k( 103) = ( 0.3334412 0.3334412 0.5000000), wk = 0.0031447 k( 104) = ( 0.3244292 0.3244292 0.5000000), wk = 0.0031447 k( 105) = ( 0.3154173 0.3154173 0.5000000), wk = 0.0031447 k( 106) = ( 0.3064054 0.3064054 0.5000000), wk = 0.0031447 k( 107) = ( 0.2973935 0.2973935 0.5000000), wk = 0.0031447 k( 108) = ( 0.2883815 0.2883815 0.5000000), wk = 0.0031447 k( 109) = ( 0.2793696 0.2793696 0.5000000), wk = 0.0031447 k( 110) = ( 0.2703577 0.2703577 0.5000000), wk = 0.0031447 k( 111) = ( 0.2613458 0.2613458 0.5000000), wk = 0.0031447 k( 112) = ( 0.2523338 0.2523338 0.5000000), wk = 0.0031447 k( 113) = ( 0.2433219 0.2433219 0.5000000), wk = 0.0031447 k( 114) = ( 0.2343100 0.2343100 0.5000000), wk = 0.0031447 k( 115) = ( 0.2252981 0.2252981 0.5000000), wk = 0.0031447 k( 116) = ( 0.2162862 0.2162862 0.5000000), wk = 0.0031447 k( 117) = ( 0.2072742 0.2072742 0.5000000), wk = 0.0031447 k( 118) = ( 0.1982623 0.1982623 0.5000000), wk = 0.0031447 k( 119) = ( 0.1892504 0.1892504 0.5000000), wk = 0.0031447 k( 120) = ( 0.1802385 0.1802385 0.5000000), wk = 0.0031447 k( 121) = ( 0.1712265 0.1712265 0.5000000), wk = 0.0031447 k( 122) = ( 0.1622146 0.1622146 0.5000000), wk = 0.0031447 k( 123) = ( 0.1532027 0.1532027 0.5000000), wk = 0.0031447 k( 124) = ( 0.1441908 0.1441908 0.5000000), wk = 0.0031447 k( 125) = ( 0.1351788 0.1351788 0.5000000), wk = 0.0031447 k( 126) = ( 0.1261669 0.1261669 0.5000000), wk = 0.0031447 k( 127) = ( 0.1171550 0.1171550 0.5000000), wk = 0.0031447 k( 128) = ( 0.1081431 0.1081431 0.5000000), wk = 0.0031447 k( 129) = ( 0.0991312 0.0991312 0.5000000), wk = 0.0031447 k( 130) = ( 0.0901192 0.0901192 0.5000000), wk = 0.0031447 k( 131) = ( 0.0811073 0.0811073 0.5000000), wk = 0.0031447 k( 132) = ( 0.0720954 0.0720954 0.5000000), wk = 0.0031447 k( 133) = ( 0.0630835 0.0630835 0.5000000), wk = 0.0031447 k( 134) = ( 0.0540715 0.0540715 0.5000000), wk = 0.0031447 k( 135) = ( 0.0450596 0.0450596 0.5000000), wk = 0.0031447 k( 136) = ( 0.0360477 0.0360477 0.5000000), wk = 0.0031447 k( 137) = ( 0.0270358 0.0270358 0.5000000), wk = 0.0031447 k( 138) = ( 0.0180239 0.0180239 0.5000000), wk = 0.0031447 k( 139) = ( 0.0090119 0.0090119 0.5000000), wk = 0.0031447 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 142) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0031447 k( 143) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0031447 k( 144) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0031447 k( 145) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0031447 k( 146) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0031447 k( 147) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0031447 k( 148) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0031447 k( 149) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0031447 k( 150) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0031447 k( 151) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0031447 k( 152) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0031447 k( 153) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0031447 k( 154) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0031447 k( 155) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0031447 k( 156) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0031447 k( 157) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0031447 k( 158) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0031447 k( 159) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0031447 k( 160) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0031447 k( 161) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0031447 k( 162) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0031447 k( 163) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0031447 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 166) = ( -0.0156250 0.0156250 -0.0000000), wk = 0.0031447 k( 167) = ( -0.0312500 0.0312500 -0.0000000), wk = 0.0031447 k( 168) = ( -0.0468750 0.0468750 -0.0000000), wk = 0.0031447 k( 169) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0031447 k( 170) = ( -0.0781250 0.0781250 -0.0000000), wk = 0.0031447 k( 171) = ( -0.0937500 0.0937500 -0.0000000), wk = 0.0031447 k( 172) = ( -0.1093750 0.1093750 -0.0000000), wk = 0.0031447 k( 173) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0031447 k( 174) = ( -0.1406250 0.1406250 0.0000000), wk = 0.0031447 k( 175) = ( -0.1562500 0.1562500 -0.0000000), wk = 0.0031447 k( 176) = ( -0.1718750 0.1718750 -0.0000000), wk = 0.0031447 k( 177) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0031447 k( 178) = ( -0.2031250 0.2031250 0.0000000), wk = 0.0031447 k( 179) = ( -0.2187500 0.2187500 -0.0000000), wk = 0.0031447 k( 180) = ( -0.2343750 0.2343750 -0.0000000), wk = 0.0031447 k( 181) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0031447 k( 182) = ( -0.2656250 0.2656250 -0.0000000), wk = 0.0031447 k( 183) = ( -0.2812500 0.2812500 0.0000000), wk = 0.0031447 k( 184) = ( -0.2968750 0.2968750 -0.0000000), wk = 0.0031447 k( 185) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0031447 k( 186) = ( -0.3281250 0.3281250 -0.0000000), wk = 0.0031447 k( 187) = ( -0.3437500 0.3437500 -0.0000000), wk = 0.0031447 k( 188) = ( -0.3593750 0.3593750 -0.0000000), wk = 0.0031447 k( 189) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0031447 k( 190) = ( -0.3906250 0.3906250 -0.0000000), wk = 0.0031447 k( 191) = ( -0.4062500 0.4062500 0.0000000), wk = 0.0031447 k( 192) = ( -0.4218750 0.4218750 -0.0000000), wk = 0.0031447 k( 193) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0031447 k( 194) = ( -0.4531250 0.4531250 -0.0000000), wk = 0.0031447 k( 195) = ( -0.4687500 0.4687500 -0.0000000), wk = 0.0031447 k( 196) = ( -0.4843750 0.4843750 -0.0000000), wk = 0.0031447 k( 197) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0031447 k( 198) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0031447 k( 199) = ( -0.4912337 0.5087663 0.0000000), wk = 0.0031447 k( 200) = ( -0.4824675 0.5175325 -0.0000000), wk = 0.0031447 k( 201) = ( -0.4737012 0.5262988 -0.0000000), wk = 0.0031447 k( 202) = ( -0.4649350 0.5350650 -0.0000000), wk = 0.0031447 k( 203) = ( -0.4561687 0.5438313 -0.0000000), wk = 0.0031447 k( 204) = ( -0.4474025 0.5525975 -0.0000000), wk = 0.0031447 k( 205) = ( -0.4386362 0.5613638 0.0000000), wk = 0.0031447 k( 206) = ( -0.4298700 0.5701300 -0.0000000), wk = 0.0031447 k( 207) = ( -0.4211037 0.5788963 0.0000000), wk = 0.0031447 k( 208) = ( -0.4123374 0.5876625 -0.0000000), wk = 0.0031447 k( 209) = ( -0.4035712 0.5964288 0.0000000), wk = 0.0031447 k( 210) = ( -0.3948049 0.6051951 -0.0000000), wk = 0.0031447 k( 211) = ( -0.3860387 0.6139613 0.0000000), wk = 0.0031447 k( 212) = ( -0.3772724 0.6227276 0.0000000), wk = 0.0031447 k( 213) = ( -0.3685062 0.6314938 0.0000000), wk = 0.0031447 k( 214) = ( -0.3597399 0.6402601 -0.0000000), wk = 0.0031447 k( 215) = ( -0.3509737 0.6490263 -0.0000000), wk = 0.0031447 k( 216) = ( -0.3422074 0.6577926 -0.0000000), wk = 0.0031447 k( 217) = ( -0.3334412 0.6665589 -0.0000000), wk = 0.0031447 k( 218) = ( -0.3334412 0.6665589 -0.0000000), wk = 0.0031447 k( 219) = ( -0.3334412 0.6665589 0.0217391), wk = 0.0031447 k( 220) = ( -0.3334412 0.6665589 0.0434783), wk = 0.0031447 k( 221) = ( -0.3334412 0.6665589 0.0652174), wk = 0.0031447 k( 222) = ( -0.3334412 0.6665589 0.0869565), wk = 0.0031447 k( 223) = ( -0.3334412 0.6665589 0.1086957), wk = 0.0031447 k( 224) = ( -0.3334412 0.6665589 0.1304348), wk = 0.0031447 k( 225) = ( -0.3334412 0.6665589 0.1521739), wk = 0.0031447 k( 226) = ( -0.3334412 0.6665589 0.1739130), wk = 0.0031447 k( 227) = ( -0.3334412 0.6665589 0.1956522), wk = 0.0031447 k( 228) = ( -0.3334412 0.6665589 0.2173913), wk = 0.0031447 k( 229) = ( -0.3334412 0.6665589 0.2391304), wk = 0.0031447 k( 230) = ( -0.3334412 0.6665589 0.2608696), wk = 0.0031447 k( 231) = ( -0.3334412 0.6665589 0.2826087), wk = 0.0031447 k( 232) = ( -0.3334412 0.6665589 0.3043478), wk = 0.0031447 k( 233) = ( -0.3334412 0.6665589 0.3260870), wk = 0.0031447 k( 234) = ( -0.3334412 0.6665589 0.3478261), wk = 0.0031447 k( 235) = ( -0.3334412 0.6665589 0.3695652), wk = 0.0031447 k( 236) = ( -0.3334412 0.6665589 0.3913044), wk = 0.0031447 k( 237) = ( -0.3334412 0.6665589 0.4130435), wk = 0.0031447 k( 238) = ( -0.3334412 0.6665589 0.4347826), wk = 0.0031447 k( 239) = ( -0.3334412 0.6665589 0.4565217), wk = 0.0031447 k( 240) = ( -0.3334412 0.6665589 0.4782609), wk = 0.0031447 k( 241) = ( -0.3334412 0.6665589 0.5000000), wk = 0.0031447 k( 242) = ( -0.3334412 0.6665589 0.5000000), wk = 0.0031447 k( 243) = ( -0.3422074 0.6577926 0.5000000), wk = 0.0031447 k( 244) = ( -0.3509737 0.6490263 0.5000000), wk = 0.0031447 k( 245) = ( -0.3597399 0.6402601 0.5000000), wk = 0.0031447 k( 246) = ( -0.3685062 0.6314938 0.5000000), wk = 0.0031447 k( 247) = ( -0.3772724 0.6227276 0.5000000), wk = 0.0031447 k( 248) = ( -0.3860387 0.6139613 0.5000000), wk = 0.0031447 k( 249) = ( -0.3948049 0.6051951 0.5000000), wk = 0.0031447 k( 250) = ( -0.4035712 0.5964288 0.5000000), wk = 0.0031447 k( 251) = ( -0.4123374 0.5876625 0.5000000), wk = 0.0031447 k( 252) = ( -0.4211037 0.5788963 0.5000000), wk = 0.0031447 k( 253) = ( -0.4298700 0.5701300 0.5000000), wk = 0.0031447 k( 254) = ( -0.4386362 0.5613638 0.5000000), wk = 0.0031447 k( 255) = ( -0.4474025 0.5525975 0.5000000), wk = 0.0031447 k( 256) = ( -0.4561687 0.5438313 0.5000000), wk = 0.0031447 k( 257) = ( -0.4649350 0.5350650 0.5000000), wk = 0.0031447 k( 258) = ( -0.4737012 0.5262988 0.5000000), wk = 0.0031447 k( 259) = ( -0.4824675 0.5175325 0.5000000), wk = 0.0031447 k( 260) = ( -0.4912337 0.5087663 0.5000000), wk = 0.0031447 k( 261) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031447 k( 262) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031447 k( 263) = ( -0.5000000 0.5000000 0.4782609), wk = 0.0031447 k( 264) = ( -0.5000000 0.5000000 0.4565217), wk = 0.0031447 k( 265) = ( -0.5000000 0.5000000 0.4347826), wk = 0.0031447 k( 266) = ( -0.5000000 0.5000000 0.4130435), wk = 0.0031447 k( 267) = ( -0.5000000 0.5000000 0.3913044), wk = 0.0031447 k( 268) = ( -0.5000000 0.5000000 0.3695652), wk = 0.0031447 k( 269) = ( -0.5000000 0.5000000 0.3478261), wk = 0.0031447 k( 270) = ( -0.5000000 0.5000000 0.3260870), wk = 0.0031447 k( 271) = ( -0.5000000 0.5000000 0.3043478), wk = 0.0031447 k( 272) = ( -0.5000000 0.5000000 0.2826087), wk = 0.0031447 k( 273) = ( -0.5000000 0.5000000 0.2608696), wk = 0.0031447 k( 274) = ( -0.5000000 0.5000000 0.2391304), wk = 0.0031447 k( 275) = ( -0.5000000 0.5000000 0.2173913), wk = 0.0031447 k( 276) = ( -0.5000000 0.5000000 0.1956522), wk = 0.0031447 k( 277) = ( -0.5000000 0.5000000 0.1739130), wk = 0.0031447 k( 278) = ( -0.5000000 0.5000000 0.1521739), wk = 0.0031447 k( 279) = ( -0.5000000 0.5000000 0.1304348), wk = 0.0031447 k( 280) = ( -0.5000000 0.5000000 0.1086957), wk = 0.0031447 k( 281) = ( -0.5000000 0.5000000 0.0869565), wk = 0.0031447 k( 282) = ( -0.5000000 0.5000000 0.0652174), wk = 0.0031447 k( 283) = ( -0.5000000 0.5000000 0.0434783), wk = 0.0031447 k( 284) = ( -0.5000000 0.5000000 0.0217391), wk = 0.0031447 k( 285) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0031447 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 287) = ( -0.0156250 0.0156250 0.5000000), wk = 0.0031447 k( 288) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0031447 k( 289) = ( -0.0468750 0.0468750 0.5000000), wk = 0.0031447 k( 290) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0031447 k( 291) = ( -0.0781250 0.0781250 0.5000000), wk = 0.0031447 k( 292) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0031447 k( 293) = ( -0.1093750 0.1093750 0.5000000), wk = 0.0031447 k( 294) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0031447 k( 295) = ( -0.1406250 0.1406250 0.5000000), wk = 0.0031447 k( 296) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0031447 k( 297) = ( -0.1718750 0.1718750 0.5000000), wk = 0.0031447 k( 298) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0031447 k( 299) = ( -0.2031250 0.2031250 0.5000000), wk = 0.0031447 k( 300) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0031447 k( 301) = ( -0.2343750 0.2343750 0.5000000), wk = 0.0031447 k( 302) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0031447 k( 303) = ( -0.2656250 0.2656250 0.5000000), wk = 0.0031447 k( 304) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0031447 k( 305) = ( -0.2968750 0.2968750 0.5000000), wk = 0.0031447 k( 306) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0031447 k( 307) = ( -0.3281250 0.3281250 0.5000000), wk = 0.0031447 k( 308) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0031447 k( 309) = ( -0.3593750 0.3593750 0.5000000), wk = 0.0031447 k( 310) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0031447 k( 311) = ( -0.3906250 0.3906250 0.5000000), wk = 0.0031447 k( 312) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0031447 k( 313) = ( -0.4218750 0.4218750 0.5000000), wk = 0.0031447 k( 314) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0031447 k( 315) = ( -0.4531250 0.4531250 0.5000000), wk = 0.0031447 k( 316) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0031447 k( 317) = ( -0.4843750 0.4843750 0.5000000), wk = 0.0031447 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031447 Dense grid: 94105 G-vectors FFT dimensions: ( 60, 60, 72) Smooth grid: 37405 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 212, 58) NL pseudopotentials 0.33 Mb ( 106, 204) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1957) G-vector shells 0.01 Mb ( 1000) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 212, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.36 Mb ( 204, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Rb2Te.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.0 secs Computing kpt #: 2 total cpu time spent up to now is 45.8 secs Computing kpt #: 3 total cpu time spent up to now is 48.4 secs Computing kpt #: 4 total cpu time spent up to now is 50.9 secs Computing kpt #: 5 total cpu time spent up to now is 53.4 secs Computing kpt #: 6 total cpu time spent up to now is 55.9 secs Computing kpt #: 7 total cpu time spent up to now is 58.5 secs Computing kpt #: 8 total cpu time spent up to now is 61.0 secs Computing kpt #: 9 total cpu time spent up to now is 63.6 secs Computing kpt #: 10 total cpu time spent up to now is 66.2 secs Computing kpt #: 11 total cpu time spent up to now is 69.1 secs Computing kpt #: 12 total cpu time spent up to now is 71.7 secs Computing kpt #: 13 total cpu time spent up to now is 74.5 secs Computing kpt #: 14 total cpu time spent up to now is 77.4 secs Computing kpt #: 15 total cpu time spent up to now is 80.2 secs Computing kpt #: 16 total cpu time spent up to now is 83.4 secs Computing kpt #: 17 total cpu time spent up to now is 87.0 secs Computing kpt #: 18 total cpu time spent up to now is 90.4 secs Computing kpt #: 19 total cpu time spent up to now is 93.5 secs Computing kpt #: 20 total cpu time spent up to now is 96.3 secs Computing kpt #: 21 total cpu time spent up to now is 99.5 secs Computing kpt #: 22 total cpu time spent up to now is 102.5 secs Computing kpt #: 23 total cpu time spent up to now is 105.3 secs Computing kpt #: 24 total cpu time spent up to now is 107.9 secs Computing kpt #: 25 total cpu time spent up to now is 110.9 secs Computing kpt #: 26 total cpu time spent up to now is 113.6 secs Computing kpt #: 27 total cpu time spent up to now is 116.5 secs Computing kpt #: 28 total cpu time spent up to now is 119.3 secs Computing kpt #: 29 total cpu time spent up to now is 122.2 secs Computing kpt #: 30 total cpu time spent up to now is 124.9 secs Computing kpt #: 31 total cpu time spent up to now is 127.7 secs Computing kpt #: 32 total cpu time spent up to now is 130.5 secs Computing kpt #: 33 total cpu time spent up to now is 133.3 secs Computing kpt #: 34 total cpu time spent up to now is 136.2 secs Computing kpt #: 35 total cpu time spent up to now is 139.4 secs Computing kpt #: 36 total cpu time spent up to now is 143.2 secs Computing kpt #: 37 total cpu time spent up to now is 147.9 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.8 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.8 secs Computing kpt #: 40 total cpu time spent up to now is 164.5 secs Computing kpt #: 41 total cpu time spent up to now is 168.7 secs Computing kpt #: 42 total cpu time spent up to now is 172.5 secs Computing kpt #: 43 total cpu time spent up to now is 175.8 secs Computing kpt #: 44 total cpu time spent up to now is 179.1 secs Computing kpt #: 45 total cpu time spent up to now is 182.4 secs Computing kpt #: 46 total cpu time spent up to now is 185.6 secs Computing kpt #: 47 total cpu time spent up to now is 188.9 secs Computing kpt #: 48 total cpu time spent up to now is 193.0 secs Computing kpt #: 49 total cpu time spent up to now is 196.6 secs Computing kpt #: 50 total cpu time spent up to now is 200.1 secs Computing kpt #: 51 total cpu time spent up to now is 203.1 secs Computing kpt #: 52 total cpu time spent up to now is 206.0 secs Computing kpt #: 53 total cpu time spent up to now is 208.9 secs Computing kpt #: 54 total cpu time spent up to now is 212.1 secs Computing kpt #: 55 total cpu time spent up to now is 216.1 secs Computing kpt #: 56 total cpu time spent up to now is 219.0 secs Computing kpt #: 57 total cpu time spent up to now is 222.1 secs Computing kpt #: 58 total cpu time spent up to now is 225.5 secs Computing kpt #: 59 total cpu time spent up to now is 228.4 secs Computing kpt #: 60 total cpu time spent up to now is 231.4 secs Computing kpt #: 61 total cpu time spent up to now is 234.2 secs Computing kpt #: 62 total cpu time spent up to now is 237.2 secs Computing kpt #: 63 total cpu time spent up to now is 240.2 secs Computing kpt #: 64 total cpu time spent up to now is 243.4 secs Computing kpt #: 65 total cpu time spent up to now is 246.5 secs Computing kpt #: 66 total cpu time spent up to now is 249.3 secs Computing kpt #: 67 total cpu time spent up to now is 252.6 secs Computing kpt #: 68 total cpu time spent up to now is 255.6 secs Computing kpt #: 69 total cpu time spent up to now is 258.8 secs Computing kpt #: 70 total cpu time spent up to now is 262.0 secs Computing kpt #: 71 total cpu time spent up to now is 265.5 secs Computing kpt #: 72 total cpu time spent up to now is 269.1 secs Computing kpt #: 73 total cpu time spent up to now is 273.3 secs Computing kpt #: 74 total cpu time spent up to now is 277.5 secs Computing kpt #: 75 total cpu time spent up to now is 281.8 secs Computing kpt #: 76 total cpu time spent up to now is 286.7 secs Computing kpt #: 77 total cpu time spent up to now is 290.8 secs Computing kpt #: 78 total cpu time spent up to now is 294.3 secs Computing kpt #: 79 total cpu time spent up to now is 297.9 secs Computing kpt #: 80 total cpu time spent up to now is 301.3 secs Computing kpt #: 81 total cpu time spent up to now is 304.7 secs Computing kpt #: 82 total cpu time spent up to now is 308.3 secs Computing kpt #: 83 total cpu time spent up to now is 311.6 secs Computing kpt #: 84 total cpu time spent up to now is 315.3 secs Computing kpt #: 85 total cpu time spent up to now is 319.4 secs Computing kpt #: 86 total cpu time spent up to now is 322.8 secs Computing kpt #: 87 total cpu time spent up to now is 326.9 secs Computing kpt #: 88 total cpu time spent up to now is 330.5 secs Computing kpt #: 89 total cpu time spent up to now is 334.2 secs Computing kpt #: 90 total cpu time spent up to now is 338.2 secs Computing kpt #: 91 total cpu time spent up to now is 341.9 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.4 secs Computing kpt #: 93 total cpu time spent up to now is 352.8 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.5 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 364.3 secs Computing kpt #: 96 total cpu time spent up to now is 369.9 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 376.0 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.8 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.7 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.6 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.6 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 405.7 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 411.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.6 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 423.4 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.3 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 435.1 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.0 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 447.1 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.7 secs Computing kpt #: 111 total cpu time spent up to now is 457.5 secs Computing kpt #: 112 total cpu time spent up to now is 461.8 secs Computing kpt #: 113 total cpu time spent up to now is 466.2 secs Computing kpt #: 114 total cpu time spent up to now is 470.2 secs Computing kpt #: 115 total cpu time spent up to now is 474.4 secs Computing kpt #: 116 total cpu time spent up to now is 478.1 secs Computing kpt #: 117 total cpu time spent up to now is 482.3 secs Computing kpt #: 118 total cpu time spent up to now is 485.7 secs Computing kpt #: 119 total cpu time spent up to now is 489.4 secs Computing kpt #: 120 total cpu time spent up to now is 492.8 secs Computing kpt #: 121 total cpu time spent up to now is 496.6 secs Computing kpt #: 122 total cpu time spent up to now is 500.3 secs Computing kpt #: 123 total cpu time spent up to now is 504.0 secs Computing kpt #: 124 total cpu time spent up to now is 508.3 secs Computing kpt #: 125 total cpu time spent up to now is 512.3 secs Computing kpt #: 126 total cpu time spent up to now is 515.9 secs Computing kpt #: 127 total cpu time spent up to now is 519.8 secs Computing kpt #: 128 total cpu time spent up to now is 523.3 secs Computing kpt #: 129 total cpu time spent up to now is 526.7 secs Computing kpt #: 130 total cpu time spent up to now is 530.4 secs Computing kpt #: 131 total cpu time spent up to now is 535.4 secs Computing kpt #: 132 total cpu time spent up to now is 538.8 secs Computing kpt #: 133 total cpu time spent up to now is 542.1 secs Computing kpt #: 134 total cpu time spent up to now is 545.5 secs Computing kpt #: 135 total cpu time spent up to now is 548.4 secs Computing kpt #: 136 total cpu time spent up to now is 551.1 secs Computing kpt #: 137 total cpu time spent up to now is 555.1 secs Computing kpt #: 138 total cpu time spent up to now is 558.8 secs Computing kpt #: 139 total cpu time spent up to now is 562.3 secs Computing kpt #: 140 total cpu time spent up to now is 564.9 secs Computing kpt #: 141 total cpu time spent up to now is 568.0 secs Computing kpt #: 142 total cpu time spent up to now is 570.9 secs Computing kpt #: 143 total cpu time spent up to now is 573.6 secs Computing kpt #: 144 total cpu time spent up to now is 576.4 secs Computing kpt #: 145 total cpu time spent up to now is 579.1 secs Computing kpt #: 146 total cpu time spent up to now is 581.9 secs Computing kpt #: 147 total cpu time spent up to now is 585.0 secs Computing kpt #: 148 total cpu time spent up to now is 587.8 secs Computing kpt #: 149 total cpu time spent up to now is 590.6 secs Computing kpt #: 150 total cpu time spent up to now is 593.8 secs Computing kpt #: 151 total cpu time spent up to now is 596.7 secs Computing kpt #: 152 total cpu time spent up to now is 599.9 secs Computing kpt #: 153 total cpu time spent up to now is 603.3 secs Computing kpt #: 154 total cpu time spent up to now is 606.0 secs Computing kpt #: 155 total cpu time spent up to now is 608.8 secs Computing kpt #: 156 total cpu time spent up to now is 611.5 secs Computing kpt #: 157 total cpu time spent up to now is 614.1 secs Computing kpt #: 158 total cpu time spent up to now is 616.6 secs Computing kpt #: 159 total cpu time spent up to now is 619.3 secs Computing kpt #: 160 total cpu time spent up to now is 621.9 secs Computing kpt #: 161 total cpu time spent up to now is 624.5 secs Computing kpt #: 162 total cpu time spent up to now is 627.3 secs Computing kpt #: 163 total cpu time spent up to now is 629.9 secs Computing kpt #: 164 total cpu time spent up to now is 632.4 secs Computing kpt #: 165 total cpu time spent up to now is 635.5 secs Computing kpt #: 166 total cpu time spent up to now is 638.2 secs Computing kpt #: 167 total cpu time spent up to now is 640.8 secs Computing kpt #: 168 total cpu time spent up to now is 643.4 secs Computing kpt #: 169 total cpu time spent up to now is 645.9 secs Computing kpt #: 170 total cpu time spent up to now is 648.8 secs Computing kpt #: 171 total cpu time spent up to now is 651.6 secs Computing kpt #: 172 total cpu time spent up to now is 654.2 secs Computing kpt #: 173 total cpu time spent up to now is 656.7 secs Computing kpt #: 174 total cpu time spent up to now is 659.4 secs Computing kpt #: 175 total cpu time spent up to now is 661.9 secs Computing kpt #: 176 total cpu time spent up to now is 664.5 secs Computing kpt #: 177 total cpu time spent up to now is 667.1 secs Computing kpt #: 178 total cpu time spent up to now is 670.0 secs Computing kpt #: 179 total cpu time spent up to now is 672.6 secs Computing kpt #: 180 total cpu time spent up to now is 675.7 secs Computing kpt #: 181 total cpu time spent up to now is 678.9 secs Computing kpt #: 182 total cpu time spent up to now is 682.2 secs Computing kpt #: 183 total cpu time spent up to now is 685.3 secs Computing kpt #: 184 total cpu time spent up to now is 688.1 secs Computing kpt #: 185 total cpu time spent up to now is 691.3 secs Computing kpt #: 186 total cpu time spent up to now is 694.3 secs Computing kpt #: 187 total cpu time spent up to now is 697.5 secs Computing kpt #: 188 total cpu time spent up to now is 700.4 secs Computing kpt #: 189 total cpu time spent up to now is 703.3 secs Computing kpt #: 190 total cpu time spent up to now is 706.4 secs Computing kpt #: 191 total cpu time spent up to now is 709.4 secs Computing kpt #: 192 total cpu time spent up to now is 712.3 secs Computing kpt #: 193 total cpu time spent up to now is 715.3 secs Computing kpt #: 194 total cpu time spent up to now is 718.2 secs Computing kpt #: 195 total cpu time spent up to now is 721.4 secs Computing kpt #: 196 total cpu time spent up to now is 724.3 secs Computing kpt #: 197 total cpu time spent up to now is 727.2 secs Computing kpt #: 198 total cpu time spent up to now is 730.5 secs Computing kpt #: 199 total cpu time spent up to now is 733.6 secs Computing kpt #: 200 total cpu time spent up to now is 736.7 secs Computing kpt #: 201 total cpu time spent up to now is 739.6 secs Computing kpt #: 202 total cpu time spent up to now is 742.4 secs Computing kpt #: 203 total cpu time spent up to now is 745.2 secs Computing kpt #: 204 total cpu time spent up to now is 748.7 secs Computing kpt #: 205 total cpu time spent up to now is 751.7 secs Computing kpt #: 206 total cpu time spent up to now is 755.6 secs Computing kpt #: 207 total cpu time spent up to now is 758.9 secs Computing kpt #: 208 total cpu time spent up to now is 762.1 secs Computing kpt #: 209 total cpu time spent up to now is 765.3 secs Computing kpt #: 210 total cpu time spent up to now is 768.9 secs Computing kpt #: 211 total cpu time spent up to now is 772.1 secs Computing kpt #: 212 total cpu time spent up to now is 775.8 secs Computing kpt #: 213 total cpu time spent up to now is 779.0 secs Computing kpt #: 214 total cpu time spent up to now is 782.3 secs Computing kpt #: 215 total cpu time spent up to now is 785.9 secs Computing kpt #: 216 total cpu time spent up to now is 789.9 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 795.7 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 801.6 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 807.4 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 813.3 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 819.1 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 825.3 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 831.4 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 837.3 secs Computing kpt #: 225 total cpu time spent up to now is 841.9 secs Computing kpt #: 226 total cpu time spent up to now is 846.0 secs Computing kpt #: 227 total cpu time spent up to now is 849.5 secs Computing kpt #: 228 total cpu time spent up to now is 852.9 secs Computing kpt #: 229 total cpu time spent up to now is 856.2 secs Computing kpt #: 230 total cpu time spent up to now is 859.4 secs Computing kpt #: 231 total cpu time spent up to now is 862.5 secs Computing kpt #: 232 total cpu time spent up to now is 865.9 secs Computing kpt #: 233 total cpu time spent up to now is 868.9 secs Computing kpt #: 234 total cpu time spent up to now is 871.7 secs Computing kpt #: 235 total cpu time spent up to now is 874.6 secs Computing kpt #: 236 total cpu time spent up to now is 878.4 secs Computing kpt #: 237 total cpu time spent up to now is 881.8 secs Computing kpt #: 238 total cpu time spent up to now is 886.0 secs Computing kpt #: 239 total cpu time spent up to now is 891.0 secs Computing kpt #: 240 total cpu time spent up to now is 896.2 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 901.9 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 907.7 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 913.5 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 919.5 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 925.4 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 931.3 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 937.4 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 943.4 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 949.3 secs Computing kpt #: 250 total cpu time spent up to now is 954.9 secs Computing kpt #: 251 total cpu time spent up to now is 959.2 secs Computing kpt #: 252 total cpu time spent up to now is 964.1 secs Computing kpt #: 253 total cpu time spent up to now is 969.6 secs Computing kpt #: 254 total cpu time spent up to now is 975.2 secs Computing kpt #: 255 total cpu time spent up to now is 978.7 secs Computing kpt #: 256 total cpu time spent up to now is 982.6 secs Computing kpt #: 257 total cpu time spent up to now is 987.0 secs Computing kpt #: 258 total cpu time spent up to now is 990.3 secs Computing kpt #: 259 total cpu time spent up to now is 993.9 secs Computing kpt #: 260 total cpu time spent up to now is 997.3 secs Computing kpt #: 261 total cpu time spent up to now is 1000.8 secs Computing kpt #: 262 total cpu time spent up to now is 1004.1 secs Computing kpt #: 263 total cpu time spent up to now is 1007.5 secs Computing kpt #: 264 total cpu time spent up to now is 1010.8 secs Computing kpt #: 265 total cpu time spent up to now is 1014.5 secs Computing kpt #: 266 total cpu time spent up to now is 1020.1 secs Computing kpt #: 267 total cpu time spent up to now is 1024.1 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1030.0 secs Computing kpt #: 269 total cpu time spent up to now is 1034.7 secs Computing kpt #: 270 total cpu time spent up to now is 1038.7 secs Computing kpt #: 271 total cpu time spent up to now is 1042.7 secs Computing kpt #: 272 total cpu time spent up to now is 1046.8 secs Computing kpt #: 273 total cpu time spent up to now is 1050.3 secs Computing kpt #: 274 total cpu time spent up to now is 1053.4 secs Computing kpt #: 275 total cpu time spent up to now is 1056.5 secs Computing kpt #: 276 total cpu time spent up to now is 1059.5 secs Computing kpt #: 277 total cpu time spent up to now is 1062.6 secs Computing kpt #: 278 total cpu time spent up to now is 1065.8 secs Computing kpt #: 279 total cpu time spent up to now is 1068.8 secs Computing kpt #: 280 total cpu time spent up to now is 1071.7 secs Computing kpt #: 281 total cpu time spent up to now is 1074.8 secs Computing kpt #: 282 total cpu time spent up to now is 1077.7 secs Computing kpt #: 283 total cpu time spent up to now is 1080.9 secs Computing kpt #: 284 total cpu time spent up to now is 1084.2 secs Computing kpt #: 285 total cpu time spent up to now is 1087.2 secs Computing kpt #: 286 total cpu time spent up to now is 1089.8 secs Computing kpt #: 287 total cpu time spent up to now is 1093.7 secs Computing kpt #: 288 total cpu time spent up to now is 1098.8 secs Computing kpt #: 289 total cpu time spent up to now is 1101.6 secs Computing kpt #: 290 total cpu time spent up to now is 1105.0 secs Computing kpt #: 291 total cpu time spent up to now is 1108.6 secs Computing kpt #: 292 total cpu time spent up to now is 1111.3 secs Computing kpt #: 293 total cpu time spent up to now is 1114.4 secs Computing kpt #: 294 total cpu time spent up to now is 1118.0 secs Computing kpt #: 295 total cpu time spent up to now is 1121.9 secs Computing kpt #: 296 total cpu time spent up to now is 1126.6 secs Computing kpt #: 297 total cpu time spent up to now is 1130.1 secs Computing kpt #: 298 total cpu time spent up to now is 1134.6 secs Computing kpt #: 299 total cpu time spent up to now is 1139.8 secs Computing kpt #: 300 total cpu time spent up to now is 1143.5 secs Computing kpt #: 301 total cpu time spent up to now is 1146.9 secs Computing kpt #: 302 total cpu time spent up to now is 1150.3 secs Computing kpt #: 303 total cpu time spent up to now is 1155.6 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1161.3 secs Computing kpt #: 305 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1166.8 secs Computing kpt #: 306 total cpu time spent up to now is 1169.8 secs Computing kpt #: 307 total cpu time spent up to now is 1172.7 secs Computing kpt #: 308 total cpu time spent up to now is 1175.8 secs Computing kpt #: 309 total cpu time spent up to now is 1178.8 secs Computing kpt #: 310 total cpu time spent up to now is 1182.0 secs Computing kpt #: 311 total cpu time spent up to now is 1185.2 secs Computing kpt #: 312 total cpu time spent up to now is 1188.7 secs Computing kpt #: 313 total cpu time spent up to now is 1192.1 secs Computing kpt #: 314 total cpu time spent up to now is 1197.1 secs Computing kpt #: 315 total cpu time spent up to now is 1200.5 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1205.9 secs Computing kpt #: 317 total cpu time spent up to now is 1210.6 secs Computing kpt #: 318 total cpu time spent up to now is 1213.9 secs ethr = 2.08E-11, avg # of iterations = 54.9 total cpu time spent up to now is 1214.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4675 PWs) bands (ev): -20.9973 -20.9973 -20.8831 -20.8831 -20.0475 -20.0475 -20.0456 -20.0456 -6.0216 -6.0216 -5.6957 -5.6957 -5.0692 -5.0692 -4.9681 -4.9681 -4.9535 -4.9535 -4.7889 -4.7889 -4.6787 -4.6787 -4.5499 -4.5499 -4.1372 -4.1372 -4.1130 -4.1130 -3.9298 -3.9298 -3.8744 -3.8744 -3.0924 -3.0924 -2.7210 -2.7210 4.6699 4.6699 5.1908 5.1908 5.2230 5.2230 5.3369 5.3369 5.9359 5.9359 6.5592 6.5592 8.5517 8.5517 9.4795 9.4795 9.4844 9.4844 9.8656 9.8656 10.2748 10.2748 k = 0.0090 0.0156-0.0000 ( 4689 PWs) bands (ev): -20.9973 -20.9973 -20.8831 -20.8831 -20.0475 -20.0475 -20.0457 -20.0457 -6.0218 -6.0217 -5.6957 -5.6957 -5.0715 -5.0695 -4.9771 -4.9745 -4.9454 -4.9443 -4.7895 -4.7894 -4.6791 -4.6785 -4.5503 -4.5500 -4.1373 -4.1371 -4.1127 -4.1126 -3.9314 -3.9313 -3.8750 -3.8750 -3.0894 -3.0894 -2.7205 -2.7204 4.6707 4.6709 5.1915 5.1916 5.2237 5.2240 5.3357 5.3357 5.9336 5.9336 6.5569 6.5572 8.5582 8.5584 9.4833 9.4834 9.4866 9.4867 9.8671 9.8671 10.2699 10.2700 k = 0.0180 0.0312-0.0000 ( 4689 PWs) bands (ev): -20.9973 -20.9973 -20.8831 -20.8831 -20.0476 -20.0476 -20.0457 -20.0457 -6.0222 -6.0219 -5.6959 -5.6958 -5.0763 -5.0724 -4.9885 -4.9849 -4.9313 -4.9305 -4.7912 -4.7909 -4.6795 -4.6785 -4.5509 -4.5502 -4.1372 -4.1368 -4.1116 -4.1114 -3.9362 -3.9361 -3.8767 -3.8765 -3.0806 -3.0806 -2.7188 -2.7186 4.6734 4.6739 5.1939 5.1940 5.2262 5.2267 5.3319 5.3320 5.9268 5.9268 6.5502 6.5508 8.5779 8.5782 9.4887 9.4887 9.4993 9.4994 9.8716 9.8716 10.2532 10.2533 k = 0.0270 0.0468-0.0000 ( 4677 PWs) bands (ev): -20.9972 -20.9972 -20.8831 -20.8831 -20.0476 -20.0476 -20.0457 -20.0457 -6.0227 -6.0224 -5.6960 -5.6960 -5.0835 -5.0780 -4.9985 -4.9942 -4.9163 -4.9159 -4.7939 -4.7934 -4.6801 -4.6785 -4.5516 -4.5506 -4.1371 -4.1365 -4.1097 -4.1094 -3.9442 -3.9441 -3.8788 -3.8787 -3.0664 -3.0663 -2.7159 -2.7156 4.6779 4.6787 5.1976 5.1978 5.2304 5.2311 5.3256 5.3258 5.9160 5.9161 6.5394 6.5403 8.6100 8.6105 9.4953 9.4953 9.5225 9.5228 9.8790 9.8792 10.2215 10.2216 k = 0.0360 0.0624-0.0000 ( 4675 PWs) bands (ev): -20.9971 -20.9971 -20.8831 -20.8831 -20.0477 -20.0477 -20.0457 -20.0457 -6.0235 -6.0230 -5.6963 -5.6962 -5.0930 -5.0864 -5.0067 -5.0021 -4.9012 -4.9010 -4.7976 -4.7969 -4.6806 -4.6786 -4.5526 -4.5513 -4.1369 -4.1362 -4.1070 -4.1067 -3.9553 -3.9551 -3.8813 -3.8811 -3.0472 -3.0471 -2.7119 -2.7115 4.6843 4.6853 5.2024 5.2027 5.2363 5.2373 5.3171 5.3172 5.9020 5.9021 6.5249 6.5260 8.6534 8.6540 9.5041 9.5042 9.5549 9.5552 9.8896 9.8898 10.1771 10.1772 k = 0.0451 0.0780-0.0000 ( 4669 PWs) bands (ev): -20.9969 -20.9969 -20.8830 -20.8830 -20.0478 -20.0478 -20.0457 -20.0457 -6.0245 -6.0239 -5.6966 -5.6965 -5.1043 -5.0971 -5.0132 -5.0086 -4.8864 -4.8862 -4.8022 -4.8013 -4.6811 -4.6787 -4.5538 -4.5522 -4.1367 -4.1360 -4.1036 -4.1032 -3.9690 -3.9686 -3.8838 -3.8836 -3.0239 -3.0238 -2.7068 -2.7063 4.6924 4.6936 5.2074 5.2080 5.2439 5.2451 5.3068 5.3069 5.8857 5.8859 6.5071 6.5084 8.7069 8.7076 9.5152 9.5153 9.5960 9.5964 9.9033 9.9035 10.1253 10.1253 k = 0.0541 0.0936-0.0000 ( 4659 PWs) bands (ev): -20.9967 -20.9967 -20.8830 -20.8830 -20.0479 -20.0479 -20.0457 -20.0457 -6.0256 -6.0249 -5.6970 -5.6969 -5.1170 -5.1096 -5.0184 -5.0142 -4.8721 -4.8718 -4.8076 -4.8064 -4.6814 -4.6785 -4.5551 -4.5532 -4.1365 -4.1357 -4.0995 -4.0992 -3.9845 -3.9841 -3.8863 -3.8861 -2.9971 -2.9970 -2.7006 -2.6999 4.7021 4.7036 5.2110 5.2118 5.2531 5.2546 5.2962 5.2962 5.8680 5.8683 6.4866 6.4879 8.7687 8.7696 9.5284 9.5284 9.6454 9.6459 9.9202 9.9205 10.0704 10.0704 k = 0.0631 0.1092-0.0000 ( 4658 PWs) bands (ev): -20.9965 -20.9965 -20.8830 -20.8830 -20.0480 -20.0480 -20.0457 -20.0457 -6.0269 -6.0261 -5.6975 -5.6974 -5.1306 -5.1233 -5.0230 -5.0192 -4.8585 -4.8581 -4.8137 -4.8122 -4.6813 -4.6781 -4.5566 -4.5544 -4.1363 -4.1356 -4.0951 -4.0949 -4.0012 -4.0006 -3.8888 -3.8887 -2.9675 -2.9674 -2.6933 -2.6926 4.7134 4.7151 5.2098 5.2109 5.2638 5.2657 5.2887 5.2887 5.8498 5.8502 6.4638 6.4652 8.8373 8.8382 9.5433 9.5433 9.7026 9.7031 9.9406 9.9409 10.0155 10.0156 k = 0.0721 0.1248-0.0000 ( 4658 PWs) bands (ev): -20.9962 -20.9962 -20.8830 -20.8830 -20.0482 -20.0482 -20.0458 -20.0458 -6.0283 -6.0274 -5.6982 -5.6980 -5.1448 -5.1376 -5.0273 -5.0241 -4.8463 -4.8453 -4.8203 -4.8182 -4.6806 -4.6771 -4.5582 -4.5558 -4.1362 -4.1354 -4.0908 -4.0906 -4.0180 -4.0172 -3.8915 -3.8913 -2.9358 -2.9357 -2.6850 -2.6842 4.7262 4.7281 5.1998 5.2011 5.2757 5.2783 5.2882 5.2886 5.8320 5.8324 6.4391 6.4405 8.9105 8.9115 9.5597 9.5597 9.7672 9.7677 9.9621 9.9623 9.9652 9.9655 k = 0.0811 0.1404-0.0000 ( 4648 PWs) bands (ev): -20.9959 -20.9959 -20.8829 -20.8829 -20.0483 -20.0483 -20.0458 -20.0458 -6.0298 -6.0289 -5.6989 -5.6987 -5.1592 -5.1523 -5.0316 -5.0290 -4.8368 -4.8348 -4.8262 -4.8229 -4.6792 -4.6755 -4.5599 -4.5573 -4.1361 -4.1352 -4.0875 -4.0873 -4.0333 -4.0323 -3.8943 -3.8941 -2.9027 -2.9025 -2.6758 -2.6749 4.7403 4.7423 5.1807 5.1821 5.2888 5.2922 5.2955 5.2966 5.8149 5.8155 6.4131 6.4145 8.9863 8.9873 9.5770 9.5770 9.8383 9.8387 9.9135 9.9138 9.9929 9.9931 k = 0.0901 0.1560-0.0000 ( 4650 PWs) bands (ev): -20.9956 -20.9956 -20.8829 -20.8829 -20.0485 -20.0485 -20.0459 -20.0458 -6.0315 -6.0305 -5.6998 -5.6995 -5.1737 -5.1672 -5.0364 -5.0344 -4.8364 -4.8361 -4.8217 -4.8201 -4.6768 -4.6730 -4.5617 -4.5590 -4.1361 -4.1351 -4.0877 -4.0875 -4.0445 -4.0434 -3.8973 -3.8971 -2.8686 -2.8684 -2.6657 -2.6647 4.7554 4.7576 5.1553 5.1566 5.3032 5.3064 5.3091 5.3099 5.7989 5.7996 6.3862 6.3876 9.0624 9.0635 9.5947 9.5948 9.8677 9.8679 9.9173 9.9175 10.0257 10.0257 k = 0.0991 0.1716-0.0000 ( 4644 PWs) bands (ev): -20.9953 -20.9953 -20.8829 -20.8829 -20.0487 -20.0487 -20.0459 -20.0459 -6.0332 -6.0322 -5.7008 -5.7005 -5.1881 -5.1819 -5.0418 -5.0404 -4.8428 -4.8420 -4.8133 -4.8129 -4.6732 -4.6693 -4.5637 -4.5607 -4.1363 -4.1352 -4.0939 -4.0938 -4.0483 -4.0472 -3.9006 -3.9004 -2.8340 -2.8339 -2.6548 -2.6538 4.7714 4.7737 5.1261 5.1274 5.3192 5.3219 5.3258 5.3261 5.7843 5.7850 6.3587 6.3600 9.1365 9.1377 9.6122 9.6124 9.8292 9.8296 9.9992 10.0000 10.0634 10.0640 k = 0.1081 0.1872-0.0000 ( 4654 PWs) bands (ev): -20.9949 -20.9949 -20.8829 -20.8829 -20.0489 -20.0489 -20.0460 -20.0460 -6.0350 -6.0339 -5.7019 -5.7016 -5.2024 -5.1965 -5.0481 -5.0471 -4.8496 -4.8481 -4.8063 -4.8062 -4.6683 -4.6645 -4.5657 -4.5627 -4.1373 -4.1358 -4.1045 -4.1044 -4.0459 -4.0449 -3.9041 -3.9039 -2.7995 -2.7993 -2.6431 -2.6420 4.7880 4.7903 5.0949 5.0961 5.3365 5.3389 5.3440 5.3441 5.7710 5.7718 6.3311 6.3322 9.2060 9.2073 9.6287 9.6290 9.7966 9.7972 10.0820 10.0854 10.1093 10.1121 k = 0.1172 0.2028-0.0000 ( 4658 PWs) bands (ev): -20.9946 -20.9946 -20.8828 -20.8828 -20.0491 -20.0491 -20.0460 -20.0460 -6.0368 -6.0357 -5.7033 -5.7029 -5.2164 -5.2109 -5.0552 -5.0548 -4.8558 -4.8540 -4.8012 -4.8009 -4.6620 -4.6585 -4.5679 -4.5647 -4.1404 -4.1383 -4.1149 -4.1146 -4.0406 -4.0396 -3.9078 -3.9076 -2.7653 -2.7651 -2.6307 -2.6296 4.8047 4.8070 5.0631 5.0642 5.3547 5.3569 5.3631 5.3635 5.7591 5.7599 6.3035 6.3046 9.2685 9.2699 9.6431 9.6437 9.7707 9.7717 10.1458 10.1488 10.1873 10.1890 k = 0.1262 0.2184-0.0000 ( 4656 PWs) bands (ev): -20.9942 -20.9942 -20.8828 -20.8828 -20.0493 -20.0493 -20.0461 -20.0461 -6.0386 -6.0375 -5.7048 -5.7044 -5.2300 -5.2249 -5.0634 -5.0633 -4.8611 -4.8590 -4.7977 -4.7972 -4.6546 -4.6514 -4.5702 -4.5669 -4.1476 -4.1450 -4.1210 -4.1206 -4.0340 -4.0330 -3.9117 -3.9115 -2.7319 -2.7317 -2.6177 -2.6166 4.8210 4.8232 5.0319 5.0331 5.3732 5.3751 5.3834 5.3838 5.7487 5.7496 6.2764 6.2773 9.3219 9.3234 9.6544 9.6554 9.7520 9.7535 10.2013 10.2030 10.2830 10.2838 k = 0.1352 0.2340-0.0000 ( 4660 PWs) bands (ev): -20.9938 -20.9938 -20.8828 -20.8828 -20.0495 -20.0495 -20.0462 -20.0462 -6.0404 -6.0393 -5.7065 -5.7061 -5.2433 -5.2386 -5.0729 -5.0725 -4.8656 -4.8632 -4.7956 -4.7949 -4.6463 -4.6435 -4.5727 -4.5693 -4.1580 -4.1552 -4.1226 -4.1223 -4.0268 -4.0259 -3.9158 -3.9155 -2.6997 -2.6995 -2.6040 -2.6029 4.8357 4.8378 5.0031 5.0043 5.3912 5.3930 5.4046 5.4050 5.7400 5.7409 6.2499 6.2507 9.3646 9.3661 9.6615 9.6629 9.7408 9.7427 10.2593 10.2603 10.3795 10.3845 k = 0.1442 0.2496-0.0000 ( 4658 PWs) bands (ev): -20.9935 -20.9935 -20.8827 -20.8827 -20.0497 -20.0497 -20.0463 -20.0463 -6.0421 -6.0410 -5.7085 -5.7080 -5.2562 -5.2519 -5.0832 -5.0825 -4.8689 -4.8663 -4.7947 -4.7938 -4.6372 -4.6348 -4.5753 -4.5719 -4.1693 -4.1664 -4.1222 -4.1220 -4.0196 -4.0186 -3.9200 -3.9197 -2.6690 -2.6687 -2.5897 -2.5886 4.8472 4.8490 4.9788 4.9802 5.4080 5.4097 5.4264 5.4268 5.7334 5.7343 6.2244 6.2251 9.3955 9.3971 9.6634 9.6652 9.7369 9.7393 10.3192 10.3195 10.4636 10.4801 k = 0.1532 0.2652-0.0000 ( 4662 PWs) bands (ev): -20.9931 -20.9931 -20.8827 -20.8827 -20.0499 -20.0499 -20.0464 -20.0464 -6.0437 -6.0426 -5.7106 -5.7100 -5.2688 -5.2649 -5.0943 -5.0933 -4.8712 -4.8683 -4.7948 -4.7936 -4.6277 -4.6259 -4.5781 -4.5747 -4.1802 -4.1770 -4.1208 -4.1208 -4.0123 -4.0114 -3.9243 -3.9239 -2.6403 -2.6400 -2.5745 -2.5735 4.8523 4.8536 4.9626 4.9641 5.4227 5.4243 5.4486 5.4489 5.7293 5.7304 6.2002 6.2008 9.4146 9.4161 9.6594 9.6612 9.7402 9.7428 10.3783 10.3785 10.5168 10.5264 k = 0.1622 0.2808-0.0000 ( 4666 PWs) bands (ev): -20.9927 -20.9927 -20.8827 -20.8827 -20.0501 -20.0501 -20.0465 -20.0465 -6.0452 -6.0442 -5.7130 -5.7123 -5.2809 -5.2774 -5.1059 -5.1047 -4.8724 -4.8692 -4.7956 -4.7941 -4.6180 -4.6168 -4.5811 -4.5777 -4.1901 -4.1866 -4.1190 -4.1189 -4.0053 -4.0044 -3.9285 -3.9281 -2.6142 -2.6138 -2.5584 -2.5574 4.8482 4.8490 4.9572 4.9590 5.4345 5.4360 5.4711 5.4712 5.7284 5.7296 6.1776 6.1781 9.4222 9.4237 9.6483 9.6499 9.7508 9.7531 10.4339 10.4346 10.5655 10.5722 k = 0.1712 0.2964-0.0000 ( 4666 PWs) bands (ev): -20.9923 -20.9923 -20.8826 -20.8826 -20.0503 -20.0503 -20.0466 -20.0466 -6.0466 -6.0456 -5.7155 -5.7148 -5.2926 -5.2895 -5.1178 -5.1164 -4.8725 -4.8691 -4.7970 -4.7952 -4.6083 -4.6080 -4.5841 -4.5809 -4.1989 -4.1951 -4.1169 -4.1167 -3.9986 -3.9977 -3.9327 -3.9322 -2.5911 -2.5905 -2.5409 -2.5401 4.8364 4.8369 4.9614 4.9632 5.4428 5.4439 5.4934 5.4934 5.7309 5.7323 6.1570 6.1573 9.4194 9.4209 9.6294 9.6306 9.7683 9.7705 10.4856 10.4864 10.6176 10.6230 k = 0.1802 0.3120-0.0000 ( 4670 PWs) bands (ev): -20.9919 -20.9919 -20.8826 -20.8826 -20.0504 -20.0504 -20.0468 -20.0468 -6.0479 -6.0469 -5.7183 -5.7174 -5.3040 -5.3013 -5.1298 -5.1282 -4.8717 -4.8680 -4.7988 -4.7965 -4.6002 -4.5990 -4.5865 -4.5843 -4.2065 -4.2024 -4.1145 -4.1143 -3.9924 -3.9916 -3.9368 -3.9361 -2.5711 -2.5704 -2.5223 -2.5216 4.8213 4.8216 4.9707 4.9724 5.4471 5.4478 5.5152 5.5154 5.7368 5.7386 6.1389 6.1390 9.4076 9.4089 9.6022 9.6031 9.7927 9.7945 10.5342 10.5350 10.6710 10.6752 k = 0.1893 0.3276-0.0000 ( 4670 PWs) bands (ev): -20.9916 -20.9916 -20.8826 -20.8826 -20.0506 -20.0506 -20.0469 -20.0469 -6.0489 -6.0480 -5.7212 -5.7203 -5.3150 -5.3126 -5.1416 -5.1400 -4.8701 -4.8660 -4.8009 -4.7981 -4.5963 -4.5907 -4.5873 -4.5856 -4.2128 -4.2083 -4.1119 -4.1117 -3.9867 -3.9860 -3.9407 -3.9398 -2.5540 -2.5532 -2.5030 -2.5025 4.8062 4.8063 4.9818 4.9833 5.4475 5.4478 5.5364 5.5368 5.7457 5.7476 6.1237 6.1237 9.3883 9.3895 9.5671 9.5678 9.8232 9.8249 10.5813 10.5820 10.7214 10.7248 k = 0.1983 0.3432-0.0000 ( 4682 PWs) bands (ev): -20.9913 -20.9913 -20.8825 -20.8825 -20.0507 -20.0507 -20.0471 -20.0471 -6.0498 -6.0490 -5.7242 -5.7232 -5.3255 -5.3235 -5.1531 -5.1514 -4.8679 -4.8634 -4.8030 -4.7996 -4.5982 -4.5923 -4.5810 -4.5797 -4.2179 -4.2130 -4.1092 -4.1090 -3.9816 -3.9810 -3.9442 -3.9431 -2.5392 -2.5383 -2.4838 -2.4833 4.7926 4.7927 4.9930 4.9941 5.4444 5.4446 5.5568 5.5572 5.7564 5.7585 6.1121 6.1122 9.3632 9.3644 9.5252 9.5257 9.8594 9.8610 10.6284 10.6289 10.7654 10.7680 k = 0.2073 0.3588-0.0000 ( 4686 PWs) bands (ev): -20.9909 -20.9909 -20.8825 -20.8825 -20.0508 -20.0508 -20.0472 -20.0472 -6.0505 -6.0498 -5.7274 -5.7263 -5.3357 -5.3340 -5.1641 -5.1624 -4.8651 -4.8601 -4.8052 -4.8011 -4.6017 -4.5963 -4.5731 -4.5729 -4.2217 -4.2165 -4.1066 -4.1063 -3.9772 -3.9768 -3.9474 -3.9460 -2.5261 -2.5251 -2.4653 -2.4649 4.7814 4.7816 5.0031 5.0039 5.4383 5.4390 5.5761 5.5766 5.7675 5.7697 6.1047 6.1049 9.3342 9.3352 9.4777 9.4780 9.9004 9.9020 10.6761 10.6764 10.8004 10.8025 k = 0.2163 0.3744-0.0000 ( 4686 PWs) bands (ev): -20.9906 -20.9906 -20.8825 -20.8825 -20.0509 -20.0509 -20.0474 -20.0474 -6.0510 -6.0503 -5.7307 -5.7295 -5.3455 -5.3441 -5.1745 -5.1728 -4.8620 -4.8564 -4.8071 -4.8022 -4.6057 -4.6005 -4.5664 -4.5659 -4.2243 -4.2188 -4.1039 -4.1036 -3.9736 -3.9735 -3.9501 -3.9483 -2.5144 -2.5134 -2.4480 -2.4476 4.7731 4.7734 5.0117 5.0122 5.4303 5.4314 5.5941 5.5947 5.7779 5.7799 6.1023 6.1025 9.3027 9.3036 9.4261 9.4263 9.9455 9.9471 10.7247 10.7249 10.8251 10.8266 k = 0.2253 0.3900-0.0000 ( 4690 PWs) bands (ev): -20.9903 -20.9903 -20.8825 -20.8825 -20.0510 -20.0510 -20.0475 -20.0475 -6.0513 -6.0507 -5.7340 -5.7328 -5.3548 -5.3536 -5.1842 -5.1825 -4.8588 -4.8525 -4.8087 -4.8029 -4.6099 -4.6047 -4.5606 -4.5595 -4.2258 -4.2200 -4.1014 -4.1011 -3.9710 -3.9708 -3.9523 -3.9500 -2.5039 -2.5028 -2.4321 -2.4317 4.7677 4.7681 5.0186 5.0186 5.4209 5.4224 5.6108 5.6113 5.7863 5.7881 6.1051 6.1053 9.2705 9.2713 9.3719 9.3721 9.9936 9.9952 10.7740 10.7742 10.8394 10.8403 k = 0.2343 0.4056-0.0000 ( 4694 PWs) bands (ev): -20.9901 -20.9901 -20.8824 -20.8824 -20.0510 -20.0510 -20.0477 -20.0477 -6.0514 -6.0509 -5.7373 -5.7360 -5.3636 -5.3627 -5.1930 -5.1914 -4.8557 -4.8488 -4.8096 -4.8030 -4.6141 -4.6090 -4.5555 -4.5538 -4.2263 -4.2202 -4.0989 -4.0987 -3.9694 -3.9689 -3.9538 -3.9511 -2.4945 -2.4934 -2.4177 -2.4174 4.7651 4.7658 5.0233 5.0236 5.4105 5.4123 5.6258 5.6263 5.7923 5.7937 6.1130 6.1131 9.2387 9.2394 9.3167 9.3169 10.0438 10.0454 10.8192 10.8205 10.8476 10.8481 k = 0.2433 0.4212-0.0000 ( 4694 PWs) bands (ev): -20.9898 -20.9898 -20.8824 -20.8824 -20.0510 -20.0510 -20.0479 -20.0479 -6.0514 -6.0510 -5.7406 -5.7392 -5.3718 -5.3711 -5.2010 -5.1996 -4.8529 -4.8455 -4.8096 -4.8023 -4.6183 -4.6132 -4.5512 -4.5490 -4.2259 -4.2195 -4.0967 -4.0965 -3.9685 -3.9678 -3.9549 -3.9517 -2.4862 -2.4851 -2.4048 -2.4046 4.7654 4.7662 5.0264 5.0269 5.3992 5.4013 5.6391 5.6394 5.7960 5.7968 6.1252 6.1254 9.2085 9.2091 9.2620 9.2621 10.0949 10.0965 10.8274 10.8289 10.8841 10.8849 k = 0.2523 0.4368-0.0000 ( 4696 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0510 -20.0510 -20.0481 -20.0481 -6.0512 -6.0508 -5.7438 -5.7424 -5.3795 -5.3790 -5.2082 -5.2069 -4.8506 -4.8431 -4.8083 -4.8008 -4.6223 -4.6173 -4.5477 -4.5450 -4.2246 -4.2181 -4.0947 -4.0946 -3.9681 -3.9673 -3.9556 -3.9522 -2.4788 -2.4777 -2.3936 -2.3934 4.7681 4.7691 5.0281 5.0289 5.3872 5.3895 5.6506 5.6507 5.7979 5.7979 6.1408 6.1411 9.1804 9.1808 9.2094 9.2095 10.1458 10.1475 10.8122 10.8134 10.9368 10.9372 k = 0.2613 0.4524-0.0000 ( 4700 PWs) bands (ev): -20.9894 -20.9894 -20.8824 -20.8824 -20.0510 -20.0510 -20.0483 -20.0483 -6.0509 -6.0506 -5.7468 -5.7454 -5.3865 -5.3861 -5.2146 -5.2135 -4.8490 -4.8418 -4.8056 -4.7983 -4.6262 -4.6212 -4.5450 -4.5418 -4.2227 -4.2160 -4.0929 -4.0929 -3.9679 -3.9672 -3.9562 -3.9526 -2.4725 -2.4713 -2.3839 -2.3837 4.7729 4.7741 5.0290 5.0299 5.3744 5.3767 5.6601 5.6602 5.7978 5.7986 6.1585 6.1590 9.1509 9.1511 9.1639 9.1645 10.1955 10.1972 10.7882 10.7891 10.9917 10.9920 k = 0.2704 0.4680-0.0000 ( 4712 PWs) bands (ev): -20.9892 -20.9892 -20.8824 -20.8824 -20.0509 -20.0509 -20.0485 -20.0485 -6.0505 -6.0503 -5.7496 -5.7482 -5.3928 -5.3925 -5.2201 -5.2193 -4.8480 -4.8414 -4.8019 -4.7951 -4.6299 -4.6248 -4.5430 -4.5394 -4.2203 -4.2136 -4.0914 -4.0914 -3.9677 -3.9671 -3.9569 -3.9532 -2.4671 -2.4659 -2.3757 -2.3755 4.7793 4.7808 5.0296 5.0306 5.3606 5.3629 5.6675 5.6679 5.7972 5.7988 6.1771 6.1778 9.1084 9.1087 9.1388 9.1394 10.2431 10.2448 10.7577 10.7585 11.0477 11.0478 k = 0.2794 0.4836-0.0000 ( 4714 PWs) bands (ev): -20.9891 -20.9891 -20.8824 -20.8824 -20.0509 -20.0509 -20.0487 -20.0487 -6.0500 -6.0498 -5.7521 -5.7507 -5.3983 -5.3981 -5.2248 -5.2242 -4.8475 -4.8417 -4.7974 -4.7914 -4.6332 -4.6282 -4.5418 -4.5377 -4.2175 -4.2108 -4.0902 -4.0900 -3.9675 -3.9671 -3.9578 -3.9541 -2.4626 -2.4614 -2.3688 -2.3687 4.7867 4.7885 5.0305 5.0314 5.3461 5.3482 5.6731 5.6737 5.7967 5.7990 6.1955 6.1964 9.0666 9.0667 9.1217 9.1222 10.2877 10.2894 10.7228 10.7235 11.1042 11.1042 k = 0.2884 0.4992-0.0000 ( 4706 PWs) bands (ev): -20.9889 -20.9889 -20.8823 -20.8823 -20.0507 -20.0507 -20.0489 -20.0489 -6.0495 -6.0494 -5.7544 -5.7529 -5.4030 -5.4029 -5.2288 -5.2285 -4.8473 -4.8423 -4.7926 -4.7874 -4.6361 -4.6311 -4.5410 -4.5366 -4.2146 -4.2080 -4.0891 -4.0889 -3.9672 -3.9669 -3.9590 -3.9551 -2.4590 -2.4578 -2.3633 -2.3632 4.7946 4.7965 5.0321 5.0329 5.3309 5.3329 5.6770 5.6777 5.7966 5.7995 6.2128 6.2137 9.0295 9.0296 9.1090 9.1094 10.3290 10.3307 10.6850 10.6856 11.1605 11.1607 k = 0.2974 0.5148-0.0000 ( 4702 PWs) bands (ev): -20.9888 -20.9888 -20.8823 -20.8823 -20.0506 -20.0506 -20.0491 -20.0491 -6.0490 -6.0490 -5.7562 -5.7548 -5.4069 -5.4067 -5.2320 -5.2319 -4.8474 -4.8431 -4.7880 -4.7836 -4.6386 -4.6336 -4.5408 -4.5360 -4.2117 -4.2054 -4.0882 -4.0880 -3.9668 -3.9667 -3.9603 -3.9564 -2.4562 -2.4550 -2.3590 -2.3589 4.8021 4.8043 5.0348 5.0354 5.3158 5.3174 5.6795 5.6803 5.7969 5.8003 6.2282 6.2291 8.9981 8.9982 9.1000 9.1003 10.3669 10.3685 10.6460 10.6465 11.2160 11.2163 k = 0.3064 0.5304-0.0000 ( 4706 PWs) bands (ev): -20.9887 -20.9887 -20.8823 -20.8823 -20.0505 -20.0505 -20.0493 -20.0493 -6.0486 -6.0486 -5.7577 -5.7564 -5.4099 -5.4097 -5.2347 -5.2345 -4.8475 -4.8438 -4.7838 -4.7802 -4.6407 -4.6356 -4.5409 -4.5358 -4.2090 -4.2031 -4.0875 -4.0873 -3.9665 -3.9663 -3.9617 -3.9576 -2.4542 -2.4530 -2.3558 -2.3558 4.8087 4.8112 5.0383 5.0387 5.3015 5.3027 5.6810 5.6817 5.7974 5.8012 6.2409 6.2419 8.9730 8.9731 9.0944 9.0946 10.4012 10.4028 10.6074 10.6079 11.2697 11.2702 k = 0.3154 0.5460-0.0000 ( 4704 PWs) bands (ev): -20.9887 -20.9887 -20.8823 -20.8823 -20.0503 -20.0503 -20.0495 -20.0495 -6.0482 -6.0482 -5.7588 -5.7575 -5.4120 -5.4118 -5.2366 -5.2362 -4.8476 -4.8444 -4.7805 -4.7776 -4.6422 -4.6370 -4.5412 -4.5359 -4.2068 -4.2013 -4.0869 -4.0868 -3.9661 -3.9658 -3.9631 -3.9588 -2.4529 -2.4516 -2.3537 -2.3537 4.8138 4.8165 5.0422 5.0423 5.2894 5.2902 5.6817 5.6823 5.7981 5.8022 6.2504 6.2514 8.9548 8.9548 9.0914 9.0916 10.4321 10.4337 10.5714 10.5717 11.3206 11.3214 k = 0.3244 0.5616-0.0000 ( 4712 PWs) bands (ev): -20.9887 -20.9887 -20.8823 -20.8823 -20.0501 -20.0501 -20.0497 -20.0497 -6.0481 -6.0480 -5.7594 -5.7582 -5.4133 -5.4131 -5.2379 -5.2372 -4.8476 -4.8448 -4.7782 -4.7759 -4.6432 -4.6379 -4.5415 -4.5360 -4.2052 -4.2003 -4.0865 -4.0865 -3.9656 -3.9652 -3.9644 -3.9598 -2.4522 -2.4509 -2.3525 -2.3524 4.8171 4.8199 5.0452 5.0455 5.2811 5.2814 5.6821 5.6824 5.7987 5.8028 6.2564 6.2573 8.9436 8.9437 9.0903 9.0905 10.4579 10.4596 10.5411 10.5413 11.3673 11.3683 k = 0.3334 0.5772-0.0000 ( 4724 PWs) bands (ev): -20.9886 -20.9886 -20.8824 -20.8824 -20.0500 -20.0500 -20.0499 -20.0499 -6.0480 -6.0480 -5.7596 -5.7585 -5.4137 -5.4135 -5.2384 -5.2375 -4.8476 -4.8450 -4.7773 -4.7756 -4.6435 -4.6382 -4.5416 -4.5360 -4.2044 -4.2002 -4.0865 -4.0862 -3.9659 -3.9649 -3.9644 -3.9603 -2.4521 -2.4507 -2.3522 -2.3521 4.8182 4.8210 5.0462 5.0469 5.2780 5.2784 5.6823 5.6824 5.7989 5.8031 6.2584 6.2593 8.9398 8.9399 9.0902 9.0904 10.4703 10.4721 10.5268 10.5268 11.4064 11.4087 k = 0.3334 0.5772-0.0000 ( 4724 PWs) bands (ev): -20.9886 -20.9886 -20.8824 -20.8824 -20.0500 -20.0500 -20.0499 -20.0499 -6.0480 -6.0480 -5.7596 -5.7585 -5.4137 -5.4135 -5.2384 -5.2375 -4.8476 -4.8450 -4.7773 -4.7756 -4.6435 -4.6382 -4.5416 -4.5360 -4.2044 -4.2002 -4.0865 -4.0862 -3.9659 -3.9649 -3.9644 -3.9603 -2.4521 -2.4507 -2.3522 -2.3521 4.8182 4.8210 5.0462 5.0469 5.2780 5.2784 5.6823 5.6824 5.7989 5.8031 6.2584 6.2593 8.9398 8.9399 9.0902 9.0904 10.4703 10.4721 10.5268 10.5268 11.4064 11.4085 k = 0.3159 0.5772-0.0000 ( 4716 PWs) bands (ev): -20.9887 -20.9887 -20.8824 -20.8824 -20.0501 -20.0501 -20.0497 -20.0497 -6.0481 -6.0480 -5.7594 -5.7582 -5.4133 -5.4131 -5.2380 -5.2371 -4.8476 -4.8449 -4.7781 -4.7761 -4.6432 -4.6379 -4.5414 -4.5359 -4.2051 -4.2005 -4.0867 -4.0862 -3.9660 -3.9657 -3.9636 -3.9597 -2.4522 -2.4509 -2.3525 -2.3524 4.8170 4.8198 5.0451 5.0456 5.2811 5.2816 5.6822 5.6825 5.7987 5.8029 6.2564 6.2574 8.9434 8.9435 9.0901 9.0902 10.4608 10.4625 10.5385 10.5386 11.3666 11.3679 k = 0.2983 0.5772-0.0000 ( 4710 PWs) bands (ev): -20.9887 -20.9887 -20.8823 -20.8823 -20.0503 -20.0503 -20.0495 -20.0495 -6.0483 -6.0482 -5.7588 -5.7576 -5.4123 -5.4121 -5.2368 -5.2360 -4.8476 -4.8446 -4.7803 -4.7782 -4.6423 -4.6370 -4.5409 -4.5355 -4.2069 -4.2018 -4.0872 -4.0864 -3.9673 -3.9667 -3.9616 -3.9578 -2.4527 -2.4514 -2.3534 -2.3533 4.8131 4.8158 5.0419 5.0424 5.2903 5.2914 5.6823 5.6828 5.7980 5.8021 6.2505 6.2516 8.9542 8.9544 9.0890 9.0892 10.4464 10.4478 10.5599 10.5602 11.3208 11.3221 k = 0.2808 0.5772-0.0000 ( 4708 PWs) bands (ev): -20.9887 -20.9887 -20.8823 -20.8823 -20.0505 -20.0505 -20.0493 -20.0493 -6.0488 -6.0486 -5.7578 -5.7566 -5.4107 -5.4104 -5.2347 -5.2340 -4.8478 -4.8443 -4.7841 -4.7816 -4.6408 -4.6356 -4.5399 -4.5346 -4.2097 -4.2043 -4.0879 -4.0866 -3.9689 -3.9682 -3.9586 -3.9550 -2.4536 -2.4523 -2.3549 -2.3548 4.8061 4.8086 5.0381 5.0385 5.3050 5.3066 5.6827 5.6834 5.7969 5.8011 6.2408 6.2419 8.9722 8.9725 9.0862 9.0865 10.4361 10.4375 10.5824 10.5828 11.2749 11.2763 k = 0.2632 0.5772-0.0000 ( 4714 PWs) bands (ev): -20.9888 -20.9888 -20.8824 -20.8824 -20.0507 -20.0507 -20.0491 -20.0491 -6.0494 -6.0492 -5.7564 -5.7551 -5.4085 -5.4083 -5.2318 -5.2311 -4.8484 -4.8441 -4.7891 -4.7862 -4.6388 -4.6336 -4.5384 -4.5334 -4.2138 -4.2080 -4.0886 -4.0870 -3.9708 -3.9701 -3.9548 -3.9512 -2.4546 -2.4533 -2.3569 -2.3567 4.7957 4.7980 5.0351 5.0355 5.3237 5.3258 5.6834 5.6843 5.7957 5.7998 6.2273 6.2286 8.9973 8.9977 9.0810 9.0814 10.4327 10.4340 10.6034 10.6038 11.2319 11.2333 k = 0.2457 0.5772-0.0000 ( 4716 PWs) bands (ev): -20.9888 -20.9888 -20.8824 -20.8824 -20.0509 -20.0509 -20.0488 -20.0488 -6.0501 -6.0499 -5.7547 -5.7534 -5.4061 -5.4058 -5.2279 -5.2272 -4.8498 -4.8445 -4.7950 -4.7915 -4.6363 -4.6311 -4.5364 -4.5317 -4.2189 -4.2128 -4.0893 -4.0875 -3.9730 -3.9722 -3.9502 -3.9467 -2.4558 -2.4545 -2.3592 -2.3590 4.7821 4.7840 5.0344 5.0347 5.3450 5.3476 5.6845 5.6856 5.7945 5.7986 6.2104 6.2118 9.0291 9.0295 9.0733 9.0738 10.4369 10.4382 10.6211 10.6216 11.1935 11.1950 k = 0.2281 0.5772-0.0000 ( 4718 PWs) bands (ev): -20.9889 -20.9889 -20.8824 -20.8824 -20.0511 -20.0511 -20.0486 -20.0486 -6.0510 -6.0508 -5.7526 -5.7514 -5.4033 -5.4031 -5.2230 -5.2222 -4.8526 -4.8462 -4.8012 -4.7968 -4.6333 -4.6282 -4.5340 -4.5296 -4.2250 -4.2187 -4.0899 -4.0880 -3.9754 -3.9747 -3.9449 -3.9416 -2.4571 -2.4559 -2.3617 -2.3616 4.7656 4.7672 5.0365 5.0368 5.3675 5.3706 5.6860 5.6872 5.7937 5.7978 6.1902 6.1917 9.0569 9.0573 9.0735 9.0740 10.4488 10.4502 10.6345 10.6350 11.1612 11.1628 k = 0.2106 0.5772-0.0000 ( 4716 PWs) bands (ev): -20.9890 -20.9890 -20.8824 -20.8824 -20.0512 -20.0512 -20.0484 -20.0484 -6.0520 -6.0517 -5.7504 -5.7492 -5.4004 -5.4002 -5.2170 -5.2160 -4.8575 -4.8502 -4.8064 -4.8013 -4.6299 -4.6249 -4.5312 -4.5272 -4.2320 -4.2256 -4.0904 -4.0884 -3.9782 -3.9774 -3.9391 -3.9359 -2.4584 -2.4572 -2.3645 -2.3643 4.7468 4.7481 5.0416 5.0421 5.3901 5.3936 5.6878 5.6892 5.7936 5.7978 6.1672 6.1689 9.0457 9.0462 9.1161 9.1167 10.4682 10.4697 10.6424 10.6429 11.1357 11.1376 k = 0.1930 0.5772-0.0000 ( 4714 PWs) bands (ev): -20.9891 -20.9891 -20.8824 -20.8824 -20.0514 -20.0514 -20.0482 -20.0482 -6.0531 -6.0528 -5.7479 -5.7468 -5.3976 -5.3973 -5.2098 -5.2087 -4.8651 -4.8574 -4.8097 -4.8044 -4.6262 -4.6212 -4.5283 -4.5246 -4.2397 -4.2334 -4.0906 -4.0887 -3.9811 -3.9803 -3.9329 -3.9299 -2.4598 -2.4586 -2.3675 -2.3672 4.7266 4.7277 5.0497 5.0502 5.4118 5.4155 5.6901 5.6916 5.7947 5.7990 6.1419 6.1437 9.0289 9.0294 9.1680 9.1688 10.4940 10.4956 10.6445 10.6450 11.1172 11.1195 k = 0.1755 0.5772-0.0000 ( 4704 PWs) bands (ev): -20.9891 -20.9891 -20.8824 -20.8824 -20.0515 -20.0515 -20.0479 -20.0479 -6.0542 -6.0539 -5.7454 -5.7442 -5.3947 -5.3945 -5.2014 -5.2002 -4.8753 -4.8679 -4.8108 -4.8059 -4.6222 -4.6173 -4.5251 -4.5219 -4.2479 -4.2417 -4.0907 -4.0889 -3.9842 -3.9834 -3.9265 -3.9237 -2.4611 -2.4600 -2.3704 -2.3702 4.7059 4.7068 5.0602 5.0608 5.4316 5.4356 5.6927 5.6943 5.7973 5.8017 6.1146 6.1165 9.0098 9.0104 9.2264 9.2273 10.5245 10.5266 10.6416 10.6420 11.1048 11.1079 k = 0.1579 0.5772-0.0000 ( 4698 PWs) bands (ev): -20.9892 -20.9892 -20.8824 -20.8824 -20.0517 -20.0517 -20.0477 -20.0477 -6.0553 -6.0551 -5.7428 -5.7417 -5.3921 -5.3919 -5.1919 -5.1905 -4.8878 -4.8809 -4.8104 -4.8060 -4.6179 -4.6132 -4.5220 -4.5191 -4.2565 -4.2505 -4.0906 -4.0889 -3.9875 -3.9867 -3.9202 -3.9176 -2.4624 -2.4614 -2.3734 -2.3731 4.6853 4.6860 5.0727 5.0733 5.4491 5.4531 5.6958 5.6975 5.8015 5.8059 6.0859 6.0879 8.9892 8.9898 9.2906 9.2916 10.5566 10.5595 10.6363 10.6365 11.0945 11.1010 k = 0.1404 0.5772-0.0000 ( 4696 PWs) bands (ev): -20.9893 -20.9893 -20.8824 -20.8824 -20.0518 -20.0518 -20.0475 -20.0475 -6.0565 -6.0562 -5.7402 -5.7392 -5.3897 -5.3895 -5.1812 -5.1797 -4.9020 -4.8958 -4.8091 -4.8054 -4.6135 -4.6091 -4.5189 -4.5164 -4.2651 -4.2594 -4.0903 -4.0889 -3.9907 -3.9899 -3.9139 -3.9116 -2.4636 -2.4626 -2.3762 -2.3759 4.6655 4.6661 5.0866 5.0873 5.4636 5.4676 5.6996 5.7014 5.8074 5.8118 6.0564 6.0585 8.9679 8.9685 9.3604 9.3615 10.5810 10.5855 10.6363 10.6381 11.0378 11.0438 k = 0.1228 0.5772-0.0000 ( 4693 PWs) bands (ev): -20.9893 -20.9893 -20.8824 -20.8824 -20.0519 -20.0519 -20.0474 -20.0474 -6.0576 -6.0573 -5.7378 -5.7368 -5.3875 -5.3873 -5.1694 -5.1677 -4.9176 -4.9119 -4.8073 -4.8042 -4.6091 -4.6050 -4.5160 -4.5138 -4.2736 -4.2683 -4.0899 -4.0886 -3.9939 -3.9931 -3.9081 -3.9060 -2.4647 -2.4638 -2.3788 -2.3786 4.6470 4.6475 5.1014 5.1020 5.4751 5.4789 5.7041 5.7061 5.8147 5.8189 6.0266 6.0287 8.9469 8.9474 9.4353 9.4366 10.5832 10.5887 10.6568 10.6600 10.9269 10.9299 k = 0.1053 0.5772-0.0000 ( 4692 PWs) bands (ev): -20.9894 -20.9894 -20.8824 -20.8824 -20.0520 -20.0520 -20.0472 -20.0472 -6.0586 -6.0583 -5.7354 -5.7346 -5.3857 -5.3855 -5.1567 -5.1548 -4.9340 -4.9288 -4.8054 -4.8027 -4.6048 -4.6010 -4.5132 -4.5114 -4.2816 -4.2768 -4.0894 -4.0883 -3.9969 -3.9962 -3.9026 -3.9008 -2.4656 -2.4648 -2.3813 -2.3810 4.6302 4.6306 5.1164 5.1169 5.4835 5.4870 5.7097 5.7117 5.8230 5.8268 5.9973 5.9994 8.9268 8.9273 9.5149 9.5163 10.5723 10.5788 10.6849 10.6908 10.8142 10.8192 k = 0.0877 0.5772-0.0000 ( 4686 PWs) bands (ev): -20.9895 -20.9895 -20.8824 -20.8824 -20.0521 -20.0521 -20.0471 -20.0471 -6.0595 -6.0593 -5.7334 -5.7327 -5.3841 -5.3839 -5.1431 -5.1411 -4.9508 -4.9461 -4.8034 -4.8012 -4.6007 -4.5973 -4.5108 -4.5093 -4.2889 -4.2847 -4.0888 -4.0879 -3.9996 -3.9990 -3.8978 -3.8962 -2.4664 -2.4658 -2.3834 -2.3832 4.6155 4.6158 5.1309 5.1314 5.4893 5.4924 5.7163 5.7183 5.8315 5.8349 5.9690 5.9711 8.9085 8.9089 9.5986 9.6003 10.5567 10.5665 10.6721 10.6850 10.7404 10.7495 k = 0.0702 0.5772-0.0000 ( 4690 PWs) bands (ev): -20.9895 -20.9895 -20.8824 -20.8824 -20.0521 -20.0521 -20.0470 -20.0470 -6.0602 -6.0601 -5.7316 -5.7310 -5.3828 -5.3827 -5.1291 -5.1270 -4.9677 -4.9635 -4.8016 -4.7999 -4.5969 -4.5941 -4.5087 -4.5076 -4.2953 -4.2918 -4.0882 -4.0876 -4.0020 -4.0015 -3.8936 -3.8924 -2.4671 -2.4666 -2.3852 -2.3850 4.6032 4.6034 5.1442 5.1446 5.4929 5.4955 5.7239 5.7258 5.8397 5.8425 5.9428 5.9447 8.8925 8.8929 9.6858 9.6876 10.5295 10.5548 10.5730 10.5965 10.7601 10.7629 k = 0.0526 0.5772-0.0000 ( 4688 PWs) bands (ev): -20.9895 -20.9895 -20.8824 -20.8824 -20.0522 -20.0522 -20.0469 -20.0469 -6.0608 -6.0607 -5.7301 -5.7297 -5.3819 -5.3818 -5.1149 -5.1128 -4.9840 -4.9803 -4.8000 -4.7988 -4.5937 -4.5915 -4.5070 -4.5062 -4.3005 -4.2977 -4.0877 -4.0872 -4.0040 -4.0036 -3.8903 -3.8893 -2.4676 -2.4672 -2.3867 -2.3865 4.5934 4.5936 5.1557 5.1559 5.4949 5.4969 5.7320 5.7337 5.8469 5.8491 5.9195 5.9213 8.8795 8.8798 9.7751 9.7770 10.4529 10.4649 10.5451 10.5548 10.7817 10.7830 k = 0.0351 0.5772-0.0000 ( 4692 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0469 -20.0469 -6.0613 -6.0612 -5.7290 -5.7287 -5.3812 -5.3811 -5.1015 -5.0996 -4.9986 -4.9957 -4.7988 -4.7980 -4.5912 -4.5897 -4.5057 -4.5052 -4.3042 -4.3023 -4.0873 -4.0870 -4.0055 -4.0052 -3.8878 -3.8871 -2.4680 -2.4677 -2.3877 -2.3876 4.5863 4.5864 5.1645 5.1646 5.4959 5.4972 5.7398 5.7411 5.8526 5.8541 5.9008 5.9022 8.8699 8.8701 9.8635 9.8656 10.3558 10.3619 10.5379 10.5416 10.7976 10.7983 k = 0.0175 0.5772-0.0000 ( 4670 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0468 -20.0468 -6.0615 -6.0615 -5.7283 -5.7281 -5.3807 -5.3807 -5.0907 -5.0894 -5.0096 -5.0078 -4.7979 -4.7975 -4.5894 -4.5886 -4.5049 -4.5046 -4.3062 -4.3053 -4.0870 -4.0868 -4.0063 -4.0062 -3.8862 -3.8858 -2.4682 -2.4680 -2.3883 -2.3883 4.5820 4.5821 5.1700 5.1701 5.4964 5.4970 5.7458 5.7466 5.8563 5.8571 5.8883 5.8891 8.8641 8.8642 9.9424 9.9442 10.2705 10.2738 10.5337 10.5351 10.8072 10.8075 k = 0.0000 0.5772-0.0000 ( 4668 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0468 -20.0468 -6.0616 -6.0616 -5.7280 -5.7280 -5.3806 -5.3806 -5.0858 -5.0858 -5.0134 -5.0134 -4.7975 -4.7975 -4.5886 -4.5886 -4.5045 -4.5045 -4.3066 -4.3066 -4.0868 -4.0868 -4.0065 -4.0065 -3.8855 -3.8855 -2.4682 -2.4682 -2.3885 -2.3885 4.5806 4.5806 5.1720 5.1720 5.4967 5.4967 5.7484 5.7484 5.8578 5.8578 5.8842 5.8842 8.8621 8.8621 9.9815 9.9815 10.2313 10.2313 10.5327 10.5327 10.8105 10.8105 k = 0.0000 0.5772-0.0000 ( 4668 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0468 -20.0468 -6.0616 -6.0616 -5.7280 -5.7280 -5.3806 -5.3806 -5.0858 -5.0858 -5.0134 -5.0134 -4.7975 -4.7975 -4.5886 -4.5886 -4.5045 -4.5045 -4.3066 -4.3066 -4.0868 -4.0868 -4.0065 -4.0065 -3.8855 -3.8855 -2.4682 -2.4682 -2.3885 -2.3885 4.5806 4.5806 5.1720 5.1720 5.4967 5.4967 5.7484 5.7484 5.8578 5.8578 5.8842 5.8842 8.8621 8.8621 9.9815 9.9815 10.2313 10.2313 10.5327 10.5327 10.8105 10.8105 k = 0.0000 0.5772 0.0175 ( 4672 PWs) bands (ev): -20.9895 -20.9895 -20.8825 -20.8825 -20.0522 -20.0522 -20.0468 -20.0468 -6.0608 -6.0608 -5.7280 -5.7279 -5.3806 -5.3806 -5.0863 -5.0862 -5.0143 -5.0138 -4.7971 -4.7965 -4.5896 -4.5892 -4.5047 -4.5046 -4.3064 -4.3063 -4.0877 -4.0877 -4.0059 -4.0059 -3.8856 -3.8856 -2.4675 -2.4675 -2.3880 -2.3880 4.5804 4.5805 5.1688 5.1691 5.4963 5.4967 5.7448 5.7450 5.8571 5.8573 5.8873 5.8874 8.8653 8.8653 9.9800 9.9800 10.2317 10.2317 10.5363 10.5363 10.8126 10.8127 k = 0.0000 0.5772 0.0350 ( 4674 PWs) bands (ev): -20.9891 -20.9891 -20.8829 -20.8829 -20.0522 -20.0522 -20.0468 -20.0468 -6.0584 -6.0584 -5.7281 -5.7278 -5.3807 -5.3807 -5.0879 -5.0876 -5.0164 -5.0155 -4.7954 -4.7942 -4.5925 -4.5916 -4.5054 -4.5051 -4.3055 -4.3055 -4.0901 -4.0901 -4.0041 -4.0040 -3.8860 -3.8858 -2.4654 -2.4653 -2.3864 -2.3864 4.5800 4.5801 5.1596 5.1603 5.4955 5.4963 5.7351 5.7354 5.8553 5.8555 5.8955 5.8957 8.8748 8.8748 9.9758 9.9759 10.2330 10.2330 10.5471 10.5471 10.8191 10.8192 k = 0.0000 0.5772 0.0524 ( 4670 PWs) bands (ev): -20.9885 -20.9885 -20.8835 -20.8835 -20.0522 -20.0522 -20.0468 -20.0468 -6.0544 -6.0543 -5.7282 -5.7277 -5.3809 -5.3809 -5.0906 -5.0900 -5.0194 -5.0183 -4.7925 -4.7908 -4.5969 -4.5957 -4.5063 -4.5059 -4.3041 -4.3040 -4.0939 -4.0939 -4.0012 -4.0010 -3.8865 -3.8863 -2.4619 -2.4618 -2.3838 -2.3838 4.5793 4.5794 5.1448 5.1458 5.4942 5.4953 5.7216 5.7218 5.8526 5.8527 5.9065 5.9068 8.8905 8.8906 9.9700 9.9701 10.2356 10.2356 10.5647 10.5648 10.8300 10.8302 k = 0.0000 0.5772 0.0699 ( 4670 PWs) bands (ev): -20.9876 -20.9876 -20.8844 -20.8844 -20.0521 -20.0521 -20.0469 -20.0469 -6.0488 -6.0487 -5.7282 -5.7276 -5.3811 -5.3811 -5.0945 -5.0936 -5.0231 -5.0218 -4.7887 -4.7867 -4.6029 -4.6012 -4.5076 -4.5071 -4.3023 -4.3021 -4.0988 -4.0987 -3.9976 -3.9974 -3.8872 -3.8869 -2.4571 -2.4570 -2.3803 -2.3802 4.5782 4.5783 5.1248 5.1259 5.4924 5.4938 5.7060 5.7062 5.8491 5.8491 5.9183 5.9187 8.9123 8.9124 9.9639 9.9640 10.2398 10.2398 10.5887 10.5888 10.8453 10.8456 k = 0.0000 0.5772 0.0874 ( 4666 PWs) bands (ev): -20.9865 -20.9865 -20.8855 -20.8855 -20.0521 -20.0521 -20.0469 -20.0469 -6.0417 -6.0416 -5.7283 -5.7275 -5.3813 -5.3813 -5.0997 -5.0985 -5.0268 -5.0255 -4.7845 -4.7823 -4.6100 -4.6081 -4.5093 -4.5086 -4.3000 -4.2997 -4.1045 -4.1044 -3.9934 -3.9931 -3.8881 -3.8878 -2.4510 -2.4509 -2.3758 -2.3757 4.5767 4.5769 5.1001 5.1014 5.4900 5.4916 5.6897 5.6898 5.8450 5.8450 5.9297 5.9301 8.9399 8.9401 9.9589 9.9590 10.2461 10.2462 10.6186 10.6187 10.8650 10.8654 k = 0.0000 0.5772 0.1049 ( 4662 PWs) bands (ev): -20.9852 -20.9852 -20.8869 -20.8869 -20.0520 -20.0520 -20.0470 -20.0470 -6.0332 -6.0330 -5.7284 -5.7275 -5.3815 -5.3815 -5.1063 -5.1048 -5.0304 -5.0291 -4.7803 -4.7780 -4.6179 -4.6158 -4.5112 -4.5104 -4.2973 -4.2970 -4.1108 -4.1108 -3.9889 -3.9886 -3.8892 -3.8888 -2.4438 -2.4436 -2.3705 -2.3704 4.5748 4.5750 5.0715 5.0728 5.4871 5.4888 5.6734 5.6735 5.8405 5.8407 5.9397 5.9402 8.9731 8.9733 9.9562 9.9564 10.2550 10.2550 10.6539 10.6540 10.8892 10.8896 k = 0.0000 0.5772 0.1224 ( 4660 PWs) bands (ev): -20.9837 -20.9837 -20.8885 -20.8885 -20.0519 -20.0519 -20.0471 -20.0471 -6.0232 -6.0231 -5.7286 -5.7275 -5.3817 -5.3817 -5.1144 -5.1125 -5.0334 -5.0323 -4.7767 -4.7744 -4.6261 -4.6239 -4.5134 -4.5125 -4.2942 -4.2938 -4.1175 -4.1175 -3.9843 -3.9839 -3.8904 -3.8899 -2.4355 -2.4354 -2.3646 -2.3645 4.5724 4.5726 5.0395 5.0409 5.4837 5.4855 5.6576 5.6577 5.8360 5.8362 5.9478 5.9482 9.0116 9.0118 9.9570 9.9571 10.2667 10.2667 10.6941 10.6943 10.9175 10.9181 k = 0.0000 0.5772 0.1398 ( 4668 PWs) bands (ev): -20.9819 -20.9819 -20.8903 -20.8903 -20.0518 -20.0518 -20.0472 -20.0472 -6.0120 -6.0118 -5.7289 -5.7277 -5.3818 -5.3817 -5.1238 -5.1216 -5.0358 -5.0348 -4.7743 -4.7723 -4.6339 -4.6319 -4.5160 -4.5149 -4.2909 -4.2904 -4.1245 -4.1245 -3.9796 -3.9792 -3.8918 -3.8913 -2.4264 -2.4262 -2.3581 -2.3579 4.5695 4.5698 5.0049 5.0063 5.4798 5.4816 5.6426 5.6428 5.8316 5.8318 5.9537 5.9541 9.0550 9.0552 9.9617 9.9619 10.2815 10.2816 10.7388 10.7390 10.9501 10.9508 k = 0.0000 0.5772 0.1573 ( 4680 PWs) bands (ev): -20.9800 -20.9800 -20.8924 -20.8924 -20.0517 -20.0517 -20.0473 -20.0473 -5.9997 -5.9994 -5.7294 -5.7281 -5.3818 -5.3817 -5.1344 -5.1320 -5.0374 -5.0364 -4.7738 -4.7723 -4.6406 -4.6389 -4.5188 -4.5176 -4.2874 -4.2868 -4.1318 -4.1317 -3.9749 -3.9744 -3.8933 -3.8927 -2.4166 -2.4164 -2.3511 -2.3510 4.5661 4.5664 4.9685 4.9699 5.4757 5.4774 5.6286 5.6287 5.8275 5.8278 5.9573 5.9576 9.1029 9.1031 9.9709 9.9712 10.2997 10.2997 10.7876 10.7879 10.9866 10.9874 k = 0.0000 0.5772 0.1748 ( 4690 PWs) bands (ev): -20.9778 -20.9778 -20.8947 -20.8947 -20.0516 -20.0516 -20.0474 -20.0474 -5.9862 -5.9860 -5.7301 -5.7287 -5.3816 -5.3814 -5.1460 -5.1434 -5.0381 -5.0371 -4.7760 -4.7753 -4.6453 -4.6442 -4.5219 -4.5206 -4.2836 -4.2830 -4.1391 -4.1389 -3.9704 -3.9698 -3.8949 -3.8943 -2.4061 -2.4059 -2.3439 -2.3437 4.5622 4.5625 4.9309 4.9323 5.4715 5.4732 5.6154 5.6156 5.8240 5.8242 5.9584 5.9587 9.1550 9.1552 9.9846 9.9848 10.3213 10.3214 10.8402 10.8405 11.0269 11.0278 k = 0.0000 0.5772 0.1923 ( 4684 PWs) bands (ev): -20.9754 -20.9754 -20.8971 -20.8971 -20.0515 -20.0515 -20.0475 -20.0475 -5.9719 -5.9715 -5.7311 -5.7295 -5.3810 -5.3808 -5.1584 -5.1558 -5.0380 -5.0369 -4.7815 -4.7813 -4.6477 -4.6472 -4.5253 -4.5238 -4.2797 -4.2790 -4.1464 -4.1462 -3.9658 -3.9653 -3.8966 -3.8959 -2.3953 -2.3950 -2.3366 -2.3364 4.5579 4.5583 4.8928 4.8941 5.4675 5.4691 5.6032 5.6034 5.8210 5.8213 5.9573 5.9575 9.2109 9.2111 10.0024 10.0026 10.3464 10.3465 10.8961 10.8964 11.0704 11.0715 k = 0.0000 0.5772 0.2098 ( 4692 PWs) bands (ev): -20.9729 -20.9729 -20.8997 -20.8997 -20.0514 -20.0514 -20.0476 -20.0476 -5.9567 -5.9564 -5.7323 -5.7307 -5.3802 -5.3798 -5.1714 -5.1689 -5.0370 -5.0358 -4.7909 -4.7899 -4.6478 -4.6476 -4.5290 -4.5274 -4.2756 -4.2748 -4.1537 -4.1534 -3.9615 -3.9609 -3.8984 -3.8977 -2.3842 -2.3839 -2.3293 -2.3291 4.5533 4.5537 4.8548 4.8560 5.4640 5.4655 5.5919 5.5920 5.8188 5.8191 5.9541 5.9542 9.2701 9.2703 10.0237 10.0239 10.3751 10.3752 10.9549 10.9552 11.1166 11.1179 k = 0.0000 0.5772 0.2272 ( 4682 PWs) bands (ev): -20.9702 -20.9702 -20.9025 -20.9025 -20.0512 -20.0512 -20.0478 -20.0478 -5.9410 -5.9406 -5.7340 -5.7323 -5.3788 -5.3784 -5.1850 -5.1825 -5.0351 -5.0337 -4.8030 -4.8012 -4.6462 -4.6453 -4.5330 -4.5312 -4.2714 -4.2705 -4.1608 -4.1605 -3.9573 -3.9566 -3.9003 -3.8996 -2.3730 -2.3727 -2.3222 -2.3220 4.5486 4.5491 4.8174 4.8186 5.4613 5.4626 5.5812 5.5813 5.8174 5.8177 5.9490 5.9490 9.3322 9.3325 10.0475 10.0477 10.4073 10.4074 11.0151 11.0154 11.1629 11.1649 k = 0.0000 0.5772 0.2447 ( 4682 PWs) bands (ev): -20.9673 -20.9673 -20.9055 -20.9055 -20.0510 -20.0510 -20.0479 -20.0479 -5.9248 -5.9243 -5.7362 -5.7344 -5.3769 -5.3765 -5.1989 -5.1966 -5.0322 -5.0307 -4.8172 -4.8148 -4.6428 -4.6414 -4.5372 -4.5354 -4.2671 -4.2662 -4.1679 -4.1675 -3.9532 -3.9525 -3.9023 -3.9015 -2.3620 -2.3617 -2.3155 -2.3153 4.5441 4.5446 4.7812 4.7823 5.4594 5.4607 5.5710 5.5711 5.8169 5.8172 5.9422 5.9423 9.3968 9.3971 10.0724 10.0726 10.4430 10.4432 11.0708 11.0709 11.1698 11.1708 k = 0.0000 0.5772 0.2622 ( 4674 PWs) bands (ev): -20.9642 -20.9642 -20.9086 -20.9086 -20.0509 -20.0509 -20.0481 -20.0481 -5.9084 -5.9079 -5.7389 -5.7371 -5.3743 -5.3738 -5.2130 -5.2110 -5.0284 -5.0266 -4.8329 -4.8299 -4.6381 -4.6363 -4.5417 -4.5398 -4.2626 -4.2617 -4.1748 -4.1744 -3.9493 -3.9486 -3.9043 -3.9035 -2.3512 -2.3509 -2.3093 -2.3091 4.5399 4.5405 4.7465 4.7476 5.4587 5.4598 5.5614 5.5614 5.8173 5.8176 5.9341 5.9342 9.4635 9.4637 10.0966 10.0967 10.4821 10.4823 11.0835 11.0838 11.1791 11.1793 k = 0.0000 0.5772 0.2797 ( 4676 PWs) bands (ev): -20.9611 -20.9611 -20.9118 -20.9118 -20.0507 -20.0507 -20.0482 -20.0482 -5.8920 -5.8914 -5.7423 -5.7405 -5.3709 -5.3704 -5.2273 -5.2255 -5.0236 -5.0215 -4.8493 -4.8460 -4.6325 -4.6305 -4.5465 -4.5445 -4.2581 -4.2571 -4.1815 -4.1810 -3.9456 -3.9448 -3.9064 -3.9056 -2.3410 -2.3407 -2.3038 -2.3035 4.5365 4.5371 4.7138 4.7149 5.4592 5.4602 5.5520 5.5520 5.8187 5.8190 5.9250 5.9252 9.5316 9.5318 10.1176 10.1177 10.5245 10.5246 11.0521 11.0525 11.2383 11.2388 k = 0.0000 0.5772 0.2972 ( 4674 PWs) bands (ev): -20.9578 -20.9578 -20.9151 -20.9151 -20.0505 -20.0505 -20.0484 -20.0484 -5.8757 -5.8750 -5.7464 -5.7447 -5.3667 -5.3662 -5.2416 -5.2400 -5.0177 -5.0154 -4.8662 -4.8626 -4.6264 -4.6242 -4.5516 -4.5494 -4.2535 -4.2525 -4.1881 -4.1875 -3.9420 -3.9412 -3.9086 -3.9078 -2.3313 -2.3310 -2.2991 -2.2988 4.5341 4.5347 4.6834 4.6844 5.4608 5.4617 5.5429 5.5429 5.8210 5.8213 5.9151 5.9154 9.6006 9.6008 10.1327 10.1328 10.5700 10.5701 11.0202 11.0207 11.2687 11.2692 k = 0.0000 0.5772 0.3146 ( 4674 PWs) bands (ev): -20.9544 -20.9544 -20.9186 -20.9186 -20.0504 -20.0504 -20.0486 -20.0486 -5.8598 -5.8591 -5.7514 -5.7497 -5.3615 -5.3610 -5.2557 -5.2544 -5.0108 -5.0082 -4.8831 -4.8793 -4.6199 -4.6176 -4.5568 -4.5546 -4.2488 -4.2478 -4.1944 -4.1938 -3.9385 -3.9377 -3.9109 -3.9101 -2.3224 -2.3221 -2.2953 -2.2950 4.5331 4.5337 4.6555 4.6565 5.4637 5.4645 5.5339 5.5340 5.8243 5.8246 5.9048 5.9051 9.6701 9.6703 10.1388 10.1389 10.6184 10.6186 10.9977 10.9983 11.2077 11.2081 k = 0.0000 0.5772 0.3321 ( 4670 PWs) bands (ev): -20.9510 -20.9510 -20.9221 -20.9221 -20.0502 -20.0502 -20.0487 -20.0487 -5.8445 -5.8437 -5.7574 -5.7557 -5.3553 -5.3548 -5.2695 -5.2685 -5.0027 -4.9998 -4.8997 -4.8957 -4.6133 -4.6109 -4.5624 -4.5601 -4.2440 -4.2429 -4.2006 -4.1999 -3.9353 -3.9344 -3.9132 -3.9124 -2.3145 -2.3141 -2.2926 -2.2923 4.5338 4.5345 4.6304 4.6313 5.4677 5.4684 5.5252 5.5253 5.8287 5.8290 5.8944 5.8947 9.7392 9.7393 10.1336 10.1336 10.6696 10.6698 10.9881 10.9888 11.1454 11.1457 k = 0.0000 0.5772 0.3496 ( 4680 PWs) bands (ev): -20.9475 -20.9475 -20.9256 -20.9256 -20.0500 -20.0500 -20.0489 -20.0489 -5.8300 -5.8290 -5.7644 -5.7628 -5.3479 -5.3476 -5.2830 -5.2822 -4.9936 -4.9904 -4.9158 -4.9118 -4.6066 -4.6041 -4.5682 -4.5658 -4.2390 -4.2380 -4.2066 -4.2058 -3.9321 -3.9313 -3.9157 -3.9148 -2.3075 -2.3072 -2.2910 -2.2907 4.5365 4.5372 4.6082 4.6090 5.4727 5.4733 5.5166 5.5167 5.8340 5.8343 5.8841 5.8844 9.8071 9.8072 10.1156 10.1156 10.7233 10.7234 10.9924 10.9933 11.0829 11.0835 k = 0.0000 0.5772 0.3671 ( 4680 PWs) bands (ev): -20.9438 -20.9438 -20.9293 -20.9293 -20.0498 -20.0498 -20.0491 -20.0491 -5.8163 -5.8153 -5.7725 -5.7710 -5.3395 -5.3392 -5.2959 -5.2954 -4.9833 -4.9799 -4.9312 -4.9272 -4.5998 -4.5974 -4.5742 -4.5718 -4.2340 -4.2330 -4.2124 -4.2116 -3.9291 -3.9283 -3.9182 -3.9173 -2.3017 -2.3014 -2.2906 -2.2903 4.5416 4.5423 4.5889 4.5898 5.4786 5.4791 5.5082 5.5084 5.8403 5.8406 5.8740 5.8744 9.8729 9.8730 10.0850 10.0850 10.7792 10.7794 11.0055 11.0078 11.0244 11.0263 k = 0.0000 0.5772 0.3846 ( 4682 PWs) bands (ev): -20.9402 -20.9402 -20.9329 -20.9329 -20.0496 -20.0496 -20.0493 -20.0493 -5.8036 -5.8025 -5.7817 -5.7803 -5.3299 -5.3298 -5.3080 -5.3078 -4.9718 -4.9682 -4.9457 -4.9418 -4.5932 -4.5907 -4.5803 -4.5779 -4.2288 -4.2279 -4.2180 -4.2172 -3.9262 -3.9254 -3.9208 -3.9199 -2.2970 -2.2967 -2.2915 -2.2912 4.5491 4.5499 4.5727 4.5735 5.4852 5.4856 5.5001 5.5004 5.8475 5.8479 5.8645 5.8649 9.9352 9.9354 10.0433 10.0434 10.8371 10.8372 10.9570 10.9572 11.0430 11.0433 k = 0.0000 0.5772 0.4020 ( 4684 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0495 -20.0495 -20.0495 -20.0495 -5.7921 -5.7921 -5.7908 -5.7908 -5.3194 -5.3194 -5.3193 -5.3193 -4.9593 -4.9593 -4.9555 -4.9555 -4.5867 -4.5867 -4.5842 -4.5842 -4.2235 -4.2235 -4.2226 -4.2226 -3.9234 -3.9234 -3.9226 -3.9226 -2.2936 -2.2936 -2.2933 -2.2933 4.5595 4.5595 4.5603 4.5603 5.4924 5.4924 5.4928 5.4928 5.8556 5.8556 5.8560 5.8560 9.9927 9.9927 9.9928 9.9928 10.8966 10.8966 10.8966 10.8966 11.0814 11.0814 k = 0.0000 0.5772 0.4020 ( 4684 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0495 -20.0495 -20.0495 -20.0495 -5.7921 -5.7921 -5.7908 -5.7908 -5.3194 -5.3194 -5.3193 -5.3193 -4.9593 -4.9593 -4.9555 -4.9555 -4.5867 -4.5867 -4.5842 -4.5842 -4.2235 -4.2235 -4.2226 -4.2226 -3.9234 -3.9234 -3.9226 -3.9226 -2.2936 -2.2936 -2.2933 -2.2933 4.5595 4.5595 4.5603 4.5603 5.4924 5.4924 5.4928 5.4928 5.8556 5.8556 5.8560 5.8560 9.9927 9.9927 9.9928 9.9928 10.8966 10.8966 10.8966 10.8966 11.0814 11.0814 k = 0.0175 0.5772 0.4020 ( 4688 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0495 -20.0495 -20.0495 -20.0495 -5.7960 -5.7960 -5.7870 -5.7870 -5.3276 -5.3276 -5.3120 -5.3120 -4.9626 -4.9626 -4.9512 -4.9512 -4.5902 -4.5902 -4.5812 -4.5812 -4.2291 -4.2291 -4.2164 -4.2164 -3.9247 -3.9247 -3.9219 -3.9219 -2.2972 -2.2972 -2.2894 -2.2894 4.5554 4.5554 4.5661 4.5661 5.4893 5.4893 5.4949 5.4949 5.8534 5.8534 5.8570 5.8570 9.9920 9.9920 9.9961 9.9961 10.8965 10.8965 10.8968 10.8968 11.0785 11.0785 k = 0.0351 0.5772 0.4020 ( 4678 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0495 -20.0495 -20.0495 -20.0495 -5.8005 -5.8005 -5.7827 -5.7827 -5.3365 -5.3365 -5.3055 -5.3055 -4.9661 -4.9661 -4.9443 -4.9443 -4.5951 -4.5951 -4.5777 -4.5777 -4.2346 -4.2346 -4.2092 -4.2092 -3.9266 -3.9266 -3.9214 -3.9214 -2.3006 -2.3006 -2.2850 -2.2850 4.5526 4.5526 4.5740 4.5740 5.4851 5.4851 5.4965 5.4965 5.8500 5.8500 5.8568 5.8568 9.9939 9.9939 10.0022 10.0022 10.8962 10.8962 10.8970 10.8970 11.0738 11.0738 k = 0.0526 0.5772 0.4020 ( 4676 PWs) bands (ev): -20.9365 -20.9365 -20.9365 -20.9365 -20.0495 -20.0495 -20.0495 -20.0495 -5.8051 -5.8051 -5.7785 -5.7785 -5.3461 -5.3461 -5.2999 -5.2999 -4.9689 -4.9689 -4.9363 -4.9363 -4.6004 -4.6004 -4.5745 -4.5745 -4.2395 -4.2395 -4.2015 -4.2015 -3.9291 -3.9291 -3.9216 -3.9216 -2.3035 -2.3035 -2.2804 -2.2804 4.5515 4.5515 4.5836 4.5836 5.4797 5.4797 5.4975 5.4975 5.8455 5.8455 5.8552 5.8552 9.9983 9.9983 10.0108 10.0108 10.8954 10.8954 10.8969 10.8969 11.0684 11.0684 k = 0.0702 0.5772 0.4020 ( 4682 PWs) bands (ev): -20.9365 -20.9365 -20.9365 -20.9365 -20.0495 -20.0495 -20.0495 -20.0495 -5.8096 -5.8096 -5.7745 -5.7745 -5.3561 -5.3561 -5.2953 -5.2953 -4.9708 -4.9708 -4.9273 -4.9273 -4.6061 -4.6061 -4.5718 -4.5718 -4.2440 -4.2440 -4.1932 -4.1932 -3.9318 -3.9318 -3.9223 -3.9223 -2.3061 -2.3061 -2.2756 -2.2756 4.5518 4.5518 4.5949 4.5949 5.4731 5.4731 5.4981 5.4981 5.8402 5.8402 5.8521 5.8521 10.0051 10.0051 10.0219 10.0219 10.8934 10.8934 10.8962 10.8962 11.0637 11.0637 k = 0.0877 0.5772 0.4020 ( 4680 PWs) bands (ev): -20.9365 -20.9365 -20.9365 -20.9365 -20.0495 -20.0495 -20.0495 -20.0495 -5.8141 -5.8141 -5.7706 -5.7706 -5.3664 -5.3664 -5.2916 -5.2916 -4.9720 -4.9720 -4.9174 -4.9174 -4.6122 -4.6122 -4.5695 -4.5695 -4.2479 -4.2479 -4.1844 -4.1844 -3.9349 -3.9349 -3.9238 -3.9238 -2.3082 -2.3082 -2.2706 -2.2706 4.5536 4.5536 4.6077 4.6077 5.4654 5.4654 5.4985 5.4985 5.8342 5.8342 5.8476 5.8476 10.0140 10.0140 10.0353 10.0353 10.8897 10.8897 10.8943 10.8943 11.0611 11.0611 k = 0.1053 0.5772 0.4020 ( 4682 PWs) bands (ev): -20.9365 -20.9365 -20.9365 -20.9365 -20.0496 -20.0496 -20.0495 -20.0495 -5.8185 -5.8185 -5.7669 -5.7669 -5.3769 -5.3769 -5.2887 -5.2887 -4.9726 -4.9726 -4.9068 -4.9068 -4.6185 -4.6185 -4.5675 -4.5675 -4.2514 -4.2514 -4.1751 -4.1751 -3.9381 -3.9381 -3.9260 -3.9260 -2.3100 -2.3100 -2.2655 -2.2655 4.5566 4.5566 4.6220 4.6220 5.4565 5.4565 5.4989 5.4989 5.8276 5.8276 5.8415 5.8415 10.0248 10.0248 10.0507 10.0507 10.8837 10.8837 10.8910 10.8910 11.0617 11.0617 k = 0.1228 0.5772 0.4020 ( 4682 PWs) bands (ev): -20.9364 -20.9364 -20.9364 -20.9364 -20.0496 -20.0496 -20.0496 -20.0496 -5.8229 -5.8229 -5.7635 -5.7635 -5.3873 -5.3873 -5.2865 -5.2865 -4.9726 -4.9726 -4.8956 -4.8956 -4.6251 -4.6251 -4.5660 -4.5660 -4.2544 -4.2544 -4.1653 -4.1653 -3.9415 -3.9415 -3.9288 -3.9288 -2.3113 -2.3113 -2.2604 -2.2604 4.5607 4.5607 4.6376 4.6376 5.4465 5.4465 5.4995 5.4995 5.8207 5.8207 5.8340 5.8340 10.0373 10.0373 10.0679 10.0679 10.8755 10.8755 10.8861 10.8861 11.0661 11.0661 k = 0.1404 0.5772 0.4020 ( 4676 PWs) bands (ev): -20.9364 -20.9364 -20.9364 -20.9364 -20.0496 -20.0496 -20.0496 -20.0496 -5.8270 -5.8270 -5.7602 -5.7602 -5.3975 -5.3975 -5.2850 -5.2850 -4.9723 -4.9723 -4.8840 -4.8840 -4.6319 -4.6319 -4.5648 -4.5648 -4.2570 -4.2570 -4.1551 -4.1551 -3.9450 -3.9450 -3.9324 -3.9324 -2.3123 -2.3123 -2.2553 -2.2553 4.5656 4.5656 4.6543 4.6543 5.4355 5.4355 5.5004 5.5004 5.8134 5.8134 5.8251 5.8251 10.0509 10.0509 10.0864 10.0864 10.8656 10.8656 10.8797 10.8797 11.0744 11.0744 k = 0.1579 0.5772 0.4020 ( 4678 PWs) bands (ev): -20.9363 -20.9363 -20.9363 -20.9363 -20.0496 -20.0496 -20.0496 -20.0496 -5.8310 -5.8310 -5.7572 -5.7572 -5.4074 -5.4074 -5.2840 -5.2840 -4.9717 -4.9717 -4.8722 -4.8722 -4.6388 -4.6388 -4.5638 -4.5638 -4.2592 -4.2592 -4.1445 -4.1445 -3.9484 -3.9484 -3.9368 -3.9368 -2.3129 -2.3129 -2.2503 -2.2503 4.5712 4.5712 4.6719 4.6719 5.4236 5.4236 5.5020 5.5020 5.8061 5.8061 5.8149 5.8149 10.0653 10.0653 10.1058 10.1058 10.8547 10.8547 10.8722 10.8722 11.0863 11.0863 k = 0.1755 0.5772 0.4020 ( 4662 PWs) bands (ev): -20.9363 -20.9363 -20.9363 -20.9363 -20.0497 -20.0497 -20.0496 -20.0496 -5.8347 -5.8347 -5.7545 -5.7545 -5.4168 -5.4168 -5.2835 -5.2835 -4.9709 -4.9709 -4.8606 -4.8606 -4.6456 -4.6456 -4.5631 -4.5631 -4.2610 -4.2610 -4.1337 -4.1337 -3.9518 -3.9518 -3.9418 -3.9418 -2.3131 -2.3131 -2.2454 -2.2454 4.5773 4.5773 4.6900 4.6900 5.4111 5.4111 5.5042 5.5042 5.7988 5.7988 5.8036 5.8036 10.0801 10.0801 10.1257 10.1257 10.8436 10.8436 10.8643 10.8643 11.1014 11.1014 k = 0.1930 0.5772 0.4020 ( 4664 PWs) bands (ev): -20.9362 -20.9362 -20.9362 -20.9362 -20.0497 -20.0497 -20.0497 -20.0497 -5.8381 -5.8381 -5.7520 -5.7520 -5.4256 -5.4256 -5.2833 -5.2833 -4.9700 -4.9700 -4.8492 -4.8492 -4.6524 -4.6524 -4.5626 -4.5626 -4.2625 -4.2625 -4.1227 -4.1227 -3.9550 -3.9550 -3.9475 -3.9475 -2.3131 -2.3131 -2.2408 -2.2408 4.5836 4.5836 4.7082 4.7082 5.3983 5.3983 5.5072 5.5072 5.7913 5.7913 5.7919 5.7919 10.0947 10.0947 10.1455 10.1455 10.8329 10.8329 10.8564 10.8564 11.1191 11.1191 k = 0.2106 0.5772 0.4020 ( 4674 PWs) bands (ev): -20.9362 -20.9362 -20.9362 -20.9362 -20.0497 -20.0497 -20.0497 -20.0497 -5.8413 -5.8413 -5.7499 -5.7499 -5.4336 -5.4336 -5.2834 -5.2834 -4.9691 -4.9691 -4.8383 -4.8383 -4.6590 -4.6590 -4.5623 -4.5623 -4.2637 -4.2637 -4.1116 -4.1116 -3.9581 -3.9581 -3.9537 -3.9537 -2.3128 -2.3128 -2.2365 -2.2365 4.5898 4.5898 4.7263 4.7263 5.3853 5.3853 5.5110 5.5110 5.7786 5.7786 5.7851 5.7851 10.1086 10.1086 10.1646 10.1646 10.8233 10.8233 10.8490 10.8490 11.1392 11.1392 k = 0.2281 0.5772 0.4020 ( 4680 PWs) bands (ev): -20.9361 -20.9361 -20.9361 -20.9361 -20.0498 -20.0498 -20.0497 -20.0497 -5.8441 -5.8441 -5.7480 -5.7480 -5.4408 -5.4408 -5.2837 -5.2837 -4.9683 -4.9683 -4.8282 -4.8282 -4.6651 -4.6651 -4.5621 -4.5621 -4.2647 -4.2647 -4.1005 -4.1005 -3.9614 -3.9614 -3.9600 -3.9600 -2.3124 -2.3124 -2.2325 -2.2325 4.5958 4.5958 4.7436 4.7436 5.3727 5.3727 5.5156 5.5156 5.7656 5.7656 5.7790 5.7790 10.1214 10.1214 10.1823 10.1823 10.8150 10.8150 10.8425 10.8425 11.1612 11.1612 k = 0.2457 0.5772 0.4020 ( 4688 PWs) bands (ev): -20.9361 -20.9361 -20.9361 -20.9361 -20.0498 -20.0498 -20.0498 -20.0498 -5.8466 -5.8466 -5.7464 -5.7464 -5.4471 -5.4471 -5.2841 -5.2841 -4.9675 -4.9675 -4.8192 -4.8192 -4.6708 -4.6708 -4.5619 -4.5619 -4.2654 -4.2654 -4.0896 -4.0896 -3.9679 -3.9679 -3.9631 -3.9631 -2.3118 -2.3118 -2.2290 -2.2290 4.6013 4.6013 4.7598 4.7598 5.3608 5.3608 5.5209 5.5209 5.7527 5.7527 5.7735 5.7735 10.1326 10.1326 10.1982 10.1982 10.8083 10.8083 10.8370 10.8370 11.1850 11.1850 k = 0.2632 0.5772 0.4020 ( 4688 PWs) bands (ev): -20.9361 -20.9361 -20.9361 -20.9361 -20.0498 -20.0498 -20.0498 -20.0498 -5.8487 -5.8487 -5.7452 -5.7452 -5.4523 -5.4523 -5.2845 -5.2845 -4.9668 -4.9668 -4.8114 -4.8114 -4.6757 -4.6757 -4.5618 -4.5618 -4.2659 -4.2659 -4.0792 -4.0792 -3.9753 -3.9753 -3.9652 -3.9652 -2.3112 -2.3112 -2.2260 -2.2260 4.6061 4.6061 4.7741 4.7741 5.3501 5.3501 5.5264 5.5264 5.7406 5.7406 5.7689 5.7689 10.1419 10.1419 10.2117 10.2117 10.8032 10.8032 10.8328 10.8328 11.2101 11.2101 k = 0.2808 0.5772 0.4020 ( 4686 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0498 -20.0498 -5.8503 -5.8503 -5.7442 -5.7442 -5.4565 -5.4565 -5.2850 -5.2850 -4.9663 -4.9663 -4.8051 -4.8051 -4.6796 -4.6796 -4.5618 -4.5618 -4.2663 -4.2663 -4.0696 -4.0696 -3.9825 -3.9825 -3.9669 -3.9669 -2.3106 -2.3106 -2.2235 -2.2235 4.6100 4.6100 4.7861 4.7861 5.3411 5.3411 5.5319 5.5319 5.7299 5.7299 5.7652 5.7652 10.1490 10.1490 10.2224 10.2224 10.7997 10.7997 10.8298 10.8298 11.2361 11.2361 k = 0.2983 0.5772 0.4020 ( 4684 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0498 -20.0498 -5.8515 -5.8515 -5.7435 -5.7435 -5.4595 -5.4595 -5.2853 -5.2853 -4.9659 -4.9659 -4.8006 -4.8006 -4.6824 -4.6824 -4.5617 -4.5617 -4.2665 -4.2665 -4.0613 -4.0613 -3.9891 -3.9891 -3.9680 -3.9680 -2.3101 -2.3101 -2.2217 -2.2217 4.6129 4.6129 4.7951 4.7951 5.3344 5.3344 5.5366 5.5366 5.7213 5.7213 5.7625 5.7625 10.1540 10.1540 10.2300 10.2300 10.7976 10.7976 10.8279 10.8279 11.2618 11.2619 k = 0.3159 0.5772 0.4020 ( 4692 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0499 -20.0499 -5.8522 -5.8522 -5.7431 -5.7431 -5.4613 -5.4613 -5.2856 -5.2856 -4.9657 -4.9657 -4.7980 -4.7980 -4.6840 -4.6840 -4.5617 -4.5617 -4.2666 -4.2666 -4.0554 -4.0554 -3.9939 -3.9939 -3.9688 -3.9688 -2.3097 -2.3097 -2.2206 -2.2206 4.6147 4.6147 4.8007 4.8007 5.3301 5.3301 5.5399 5.5399 5.7156 5.7156 5.7609 5.7609 10.1568 10.1568 10.2345 10.2345 10.7966 10.7966 10.8270 10.8270 11.2842 11.2842 k = 0.3334 0.5772 0.4020 ( 4690 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0499 -20.0499 -5.8524 -5.8524 -5.7430 -5.7430 -5.4620 -5.4620 -5.2857 -5.2857 -4.9656 -4.9656 -4.7972 -4.7972 -4.6845 -4.6845 -4.5617 -4.5617 -4.2667 -4.2667 -4.0532 -4.0532 -3.9958 -3.9958 -3.9690 -3.9690 -2.3096 -2.3096 -2.2202 -2.2202 4.6153 4.6153 4.8026 4.8026 5.3287 5.3287 5.5412 5.5412 5.7136 5.7136 5.7603 5.7603 10.1577 10.1577 10.2360 10.2360 10.7963 10.7963 10.8267 10.8267 11.2947 11.2947 k = 0.3334 0.5772 0.4020 ( 4690 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0499 -20.0499 -5.8524 -5.8524 -5.7430 -5.7430 -5.4620 -5.4620 -5.2857 -5.2857 -4.9656 -4.9656 -4.7972 -4.7972 -4.6845 -4.6845 -4.5617 -4.5617 -4.2667 -4.2667 -4.0532 -4.0532 -3.9958 -3.9958 -3.9690 -3.9690 -2.3096 -2.3096 -2.2202 -2.2202 4.6153 4.6153 4.8026 4.8026 5.3287 5.3287 5.5412 5.5412 5.7136 5.7136 5.7603 5.7603 10.1577 10.1577 10.2360 10.2360 10.7963 10.7963 10.8267 10.8267 11.2947 11.2947 k = 0.3244 0.5616 0.4020 ( 4686 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0498 -20.0498 -5.8522 -5.8522 -5.7431 -5.7431 -5.4613 -5.4613 -5.2856 -5.2856 -4.9657 -4.9657 -4.7979 -4.7979 -4.6841 -4.6841 -4.5617 -4.5617 -4.2666 -4.2666 -4.0556 -4.0556 -3.9938 -3.9938 -3.9688 -3.9688 -2.3097 -2.3097 -2.2206 -2.2206 4.6147 4.6147 4.8006 4.8006 5.3302 5.3302 5.5398 5.5398 5.7158 5.7158 5.7609 5.7609 10.1568 10.1568 10.2345 10.2345 10.7965 10.7965 10.8269 10.8269 11.2837 11.2837 k = 0.3154 0.5460 0.4020 ( 4680 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0498 -20.0498 -5.8514 -5.8514 -5.7435 -5.7435 -5.4593 -5.4593 -5.2852 -5.2852 -4.9659 -4.9659 -4.8001 -4.8001 -4.6830 -4.6830 -4.5618 -4.5618 -4.2665 -4.2665 -4.0616 -4.0616 -3.9888 -3.9888 -3.9680 -3.9680 -2.3103 -2.3103 -2.2219 -2.2219 4.6128 4.6128 4.7948 4.7948 5.3344 5.3344 5.5360 5.5360 5.7219 5.7219 5.7625 5.7625 10.1547 10.1547 10.2306 10.2306 10.7965 10.7965 10.8268 10.8268 11.2606 11.2607 k = 0.3064 0.5304 0.4020 ( 4680 PWs) bands (ev): -20.9361 -20.9361 -20.9361 -20.9361 -20.0498 -20.0498 -20.0498 -20.0498 -5.8501 -5.8501 -5.7440 -5.7440 -5.4561 -5.4561 -5.2845 -5.2845 -4.9662 -4.9662 -4.8034 -4.8034 -4.6815 -4.6815 -4.5620 -4.5620 -4.2662 -4.2662 -4.0700 -4.0700 -3.9821 -3.9821 -3.9669 -3.9669 -2.3113 -2.3113 -2.2242 -2.2242 4.6097 4.6097 4.7856 4.7856 5.3410 5.3410 5.5302 5.5302 5.7312 5.7312 5.7652 5.7652 10.1520 10.1520 10.2251 10.2251 10.7959 10.7959 10.8259 10.8259 11.2341 11.2341 k = 0.2974 0.5148 0.4020 ( 4680 PWs) bands (ev): -20.9361 -20.9361 -20.9361 -20.9361 -20.0498 -20.0498 -20.0498 -20.0498 -5.8484 -5.8484 -5.7447 -5.7447 -5.4515 -5.4515 -5.2835 -5.2835 -4.9666 -4.9666 -4.8075 -4.8075 -4.6799 -4.6799 -4.5623 -4.5623 -4.2659 -4.2659 -4.0797 -4.0797 -3.9747 -3.9747 -3.9654 -3.9654 -2.3130 -2.3130 -2.2275 -2.2275 4.6057 4.6057 4.7736 4.7736 5.3495 5.3495 5.5232 5.5232 5.7430 5.7430 5.7688 5.7688 10.1491 10.1491 10.2186 10.2186 10.7941 10.7941 10.8237 10.8237 11.2072 11.2072 k = 0.2884 0.4992 0.4020 ( 4676 PWs) bands (ev): -20.9362 -20.9362 -20.9362 -20.9362 -20.0498 -20.0498 -20.0497 -20.0497 -5.8461 -5.8461 -5.7455 -5.7455 -5.4456 -5.4456 -5.2820 -5.2820 -4.9670 -4.9670 -4.8120 -4.8120 -4.6786 -4.6786 -4.5628 -4.5628 -4.2653 -4.2653 -4.0901 -4.0901 -3.9674 -3.9674 -3.9635 -3.9635 -2.3153 -2.3153 -2.2318 -2.2318 4.6007 4.6007 4.7594 4.7594 5.3592 5.3592 5.5155 5.5155 5.7563 5.7563 5.7730 5.7730 10.1468 10.1468 10.2118 10.2118 10.7906 10.7906 10.8193 10.8193 11.1809 11.1809 k = 0.2794 0.4836 0.4020 ( 4672 PWs) bands (ev): -20.9362 -20.9362 -20.9362 -20.9362 -20.0497 -20.0497 -20.0497 -20.0497 -5.8434 -5.8434 -5.7465 -5.7465 -5.4384 -5.4384 -5.2801 -5.2801 -4.9674 -4.9674 -4.8168 -4.8168 -4.6776 -4.6776 -4.5636 -4.5636 -4.2645 -4.2645 -4.1008 -4.1008 -3.9619 -3.9619 -3.9597 -3.9597 -2.3183 -2.3183 -2.2373 -2.2373 4.5951 4.5951 4.7436 4.7436 5.3695 5.3695 5.5075 5.5075 5.7703 5.7703 5.7779 5.7779 10.1455 10.1455 10.2056 10.2056 10.7849 10.7849 10.8123 10.8123 11.1559 11.1559 k = 0.2704 0.4680 0.4020 ( 4670 PWs) bands (ev): -20.9363 -20.9363 -20.9363 -20.9363 -20.0496 -20.0496 -20.0496 -20.0496 -5.8403 -5.8403 -5.7475 -5.7475 -5.4300 -5.4300 -5.2777 -5.2777 -4.9679 -4.9679 -4.8217 -4.8217 -4.6771 -4.6771 -4.5647 -4.5647 -4.2636 -4.2636 -4.1115 -4.1115 -3.9594 -3.9594 -3.9530 -3.9530 -2.3221 -2.3221 -2.2439 -2.2439 4.5890 4.5890 4.7269 4.7269 5.3800 5.3800 5.4995 5.4995 5.7829 5.7829 5.7846 5.7846 10.1458 10.1458 10.2005 10.2005 10.7765 10.7765 10.8021 10.8021 11.1324 11.1324 k = 0.2613 0.4524 0.4020 ( 4668 PWs) bands (ev): -20.9364 -20.9364 -20.9364 -20.9364 -20.0496 -20.0496 -20.0495 -20.0495 -5.8368 -5.8368 -5.7485 -5.7485 -5.4203 -5.4203 -5.2748 -5.2748 -4.9683 -4.9683 -4.8266 -4.8266 -4.6772 -4.6772 -4.5661 -4.5661 -4.2623 -4.2623 -4.1221 -4.1221 -3.9570 -3.9570 -3.9467 -3.9467 -2.3268 -2.3268 -2.2517 -2.2517 4.5827 4.5827 4.7099 4.7099 5.3901 5.3901 5.4917 5.4917 5.7883 5.7883 5.7982 5.7982 10.1479 10.1479 10.1970 10.1970 10.7652 10.7652 10.7886 10.7886 11.1104 11.1104 k = 0.2523 0.4368 0.4020 ( 4656 PWs) bands (ev): -20.9365 -20.9365 -20.9365 -20.9365 -20.0495 -20.0495 -20.0494 -20.0494 -5.8330 -5.8330 -5.7495 -5.7495 -5.4094 -5.4094 -5.2713 -5.2713 -4.9686 -4.9686 -4.8313 -4.8313 -4.6779 -4.6779 -4.5680 -4.5680 -4.2608 -4.2608 -4.1323 -4.1323 -3.9546 -3.9546 -3.9410 -3.9410 -2.3324 -2.3324 -2.2606 -2.2606 4.5765 4.5765 4.6931 4.6931 5.3994 5.3994 5.4841 5.4841 5.7935 5.7935 5.8110 5.8110 10.1524 10.1524 10.1958 10.1958 10.7508 10.7508 10.7716 10.7716 11.0896 11.0896 k = 0.2433 0.4212 0.4020 ( 4656 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0494 -20.0494 -20.0493 -20.0493 -5.8288 -5.8288 -5.7505 -5.7505 -5.3975 -5.3975 -5.2671 -5.2671 -4.9688 -4.9688 -4.8359 -4.8359 -4.6793 -4.6793 -4.5703 -4.5703 -4.2591 -4.2591 -4.1422 -4.1422 -3.9523 -3.9523 -3.9359 -3.9359 -2.3389 -2.3389 -2.2707 -2.2707 4.5707 4.5707 4.6769 4.6769 5.4077 5.4077 5.4767 5.4767 5.7984 5.7984 5.8226 5.8226 10.1592 10.1592 10.1970 10.1970 10.7333 10.7333 10.7514 10.7514 11.0695 11.0695 k = 0.2343 0.4056 0.4020 ( 4656 PWs) bands (ev): -20.9368 -20.9368 -20.9368 -20.9368 -20.0493 -20.0493 -20.0492 -20.0492 -5.8244 -5.8244 -5.7515 -5.7515 -5.3844 -5.3844 -5.2623 -5.2623 -4.9689 -4.9689 -4.8403 -4.8403 -4.6812 -4.6812 -4.5732 -4.5732 -4.2571 -4.2571 -4.1516 -4.1516 -3.9500 -3.9500 -3.9316 -3.9316 -2.3464 -2.3464 -2.2819 -2.2819 4.5654 4.5654 4.6617 4.6617 5.4146 5.4146 5.4694 5.4694 5.8029 5.8029 5.8326 5.8326 10.1687 10.1687 10.2010 10.2010 10.7130 10.7130 10.7283 10.7283 11.0493 11.0493 k = 0.2253 0.3900 0.4020 ( 4656 PWs) bands (ev): -20.9370 -20.9370 -20.9370 -20.9370 -20.0492 -20.0492 -20.0491 -20.0491 -5.8199 -5.8199 -5.7525 -5.7525 -5.3703 -5.3703 -5.2569 -5.2569 -4.9688 -4.9688 -4.8443 -4.8443 -4.6837 -4.6837 -4.5767 -4.5767 -4.2547 -4.2547 -4.1603 -4.1603 -3.9479 -3.9479 -3.9279 -3.9279 -2.3549 -2.3549 -2.2943 -2.2943 4.5610 4.5610 4.6478 4.6478 5.4199 5.4199 5.4621 5.4621 5.8066 5.8066 5.8410 5.8410 10.1807 10.1807 10.2078 10.2078 10.6902 10.6902 10.7030 10.7030 11.0280 11.0280 k = 0.2163 0.3744 0.4020 ( 4664 PWs) bands (ev): -20.9371 -20.9371 -20.9371 -20.9371 -20.0490 -20.0490 -20.0490 -20.0490 -5.8152 -5.8152 -5.7533 -5.7533 -5.3552 -5.3552 -5.2507 -5.2507 -4.9686 -4.9686 -4.8482 -4.8482 -4.6868 -4.6868 -4.5809 -4.5809 -4.2521 -4.2521 -4.1684 -4.1684 -3.9461 -3.9461 -3.9249 -3.9249 -2.3644 -2.3644 -2.3078 -2.3078 4.5577 4.5577 4.6356 4.6356 5.4236 5.4236 5.4547 5.4547 5.8095 5.8095 5.8474 5.8474 10.1951 10.1951 10.2173 10.2173 10.6653 10.6653 10.6758 10.6758 11.0047 11.0047 k = 0.2073 0.3588 0.4020 ( 4670 PWs) bands (ev): -20.9373 -20.9373 -20.9373 -20.9373 -20.0489 -20.0489 -20.0489 -20.0489 -5.8105 -5.8105 -5.7541 -5.7541 -5.3393 -5.3393 -5.2437 -5.2437 -4.9681 -4.9681 -4.8517 -4.8517 -4.6903 -4.6903 -4.5857 -4.5857 -4.2493 -4.2493 -4.1757 -4.1757 -3.9445 -3.9445 -3.9227 -3.9227 -2.3749 -2.3749 -2.3224 -2.3224 4.5557 4.5557 4.6253 4.6253 5.4255 5.4255 5.4471 5.4471 5.8114 5.8114 5.8517 5.8517 10.2117 10.2117 10.2294 10.2294 10.6389 10.6389 10.6472 10.6472 10.9787 10.9787 k = 0.1983 0.3432 0.4020 ( 4670 PWs) bands (ev): -20.9375 -20.9375 -20.9375 -20.9375 -20.0488 -20.0488 -20.0488 -20.0488 -5.8057 -5.8057 -5.7548 -5.7548 -5.3225 -5.3225 -5.2361 -5.2361 -4.9674 -4.9674 -4.8549 -4.8549 -4.6941 -4.6941 -4.5912 -4.5912 -4.2462 -4.2462 -4.1821 -4.1821 -3.9432 -3.9432 -3.9211 -3.9211 -2.3863 -2.3863 -2.3379 -2.3379 4.5551 4.5551 4.6170 4.6170 5.4256 5.4256 5.4392 5.4392 5.8121 5.8121 5.8539 5.8539 10.2302 10.2302 10.2438 10.2438 10.6112 10.6112 10.6177 10.6177 10.9496 10.9496 k = 0.1893 0.3276 0.4020 ( 4662 PWs) bands (ev): -20.9377 -20.9377 -20.9377 -20.9377 -20.0486 -20.0486 -20.0486 -20.0486 -5.8009 -5.8009 -5.7554 -5.7554 -5.3050 -5.3050 -5.2277 -5.2277 -4.9664 -4.9664 -4.8578 -4.8578 -4.6983 -4.6983 -4.5974 -4.5974 -4.2428 -4.2428 -4.1877 -4.1877 -3.9423 -3.9423 -3.9203 -3.9203 -2.3986 -2.3986 -2.3543 -2.3543 4.5563 4.5563 4.6109 4.6109 5.4240 5.4240 5.4309 5.4309 5.8116 5.8116 5.8538 5.8538 10.2501 10.2501 10.2602 10.2602 10.5827 10.5827 10.5875 10.5875 10.9173 10.9173 k = 0.1802 0.3120 0.4020 ( 4666 PWs) bands (ev): -20.9379 -20.9379 -20.9379 -20.9379 -20.0485 -20.0485 -20.0485 -20.0485 -5.7963 -5.7963 -5.7559 -5.7559 -5.2869 -5.2869 -5.2185 -5.2185 -4.9651 -4.9651 -4.8605 -4.8605 -4.7027 -4.7027 -4.6043 -4.6043 -4.2392 -4.2392 -4.1923 -4.1923 -3.9417 -3.9417 -3.9202 -3.9202 -2.4118 -2.4118 -2.3716 -2.3716 4.5592 4.5592 4.6072 4.6072 5.4206 5.4206 5.4223 5.4223 5.8095 5.8095 5.8515 5.8515 10.2711 10.2711 10.2782 10.2782 10.5535 10.5535 10.5570 10.5570 10.8824 10.8824 k = 0.1712 0.2964 0.4020 ( 4662 PWs) bands (ev): -20.9381 -20.9381 -20.9381 -20.9381 -20.0483 -20.0483 -20.0483 -20.0483 -5.7917 -5.7917 -5.7563 -5.7563 -5.2683 -5.2683 -5.2088 -5.2088 -4.9634 -4.9634 -4.8629 -4.8629 -4.7073 -4.7073 -4.6119 -4.6119 -4.2354 -4.2354 -4.1960 -4.1960 -3.9416 -3.9416 -3.9209 -3.9209 -2.4257 -2.4257 -2.3896 -2.3896 4.5639 4.5639 4.6058 4.6058 5.4133 5.4133 5.4158 5.4158 5.8060 5.8060 5.8469 5.8469 10.2926 10.2926 10.2971 10.2971 10.5239 10.5239 10.5263 10.5263 10.8454 10.8454 k = 0.1622 0.2808 0.4020 ( 4658 PWs) bands (ev): -20.9384 -20.9384 -20.9384 -20.9384 -20.0482 -20.0482 -20.0481 -20.0481 -5.7874 -5.7874 -5.7565 -5.7565 -5.2493 -5.2493 -5.1983 -5.1983 -4.9614 -4.9614 -4.8650 -4.8650 -4.7120 -4.7120 -4.6201 -4.6201 -4.2313 -4.2313 -4.1987 -4.1987 -3.9420 -3.9420 -3.9222 -3.9222 -2.4404 -2.4404 -2.4082 -2.4082 4.5707 4.5707 4.6069 4.6069 5.4039 5.4039 5.4096 5.4096 5.8007 5.8007 5.8399 5.8399 10.3140 10.3140 10.3164 10.3164 10.4938 10.4938 10.4957 10.4957 10.8073 10.8073 k = 0.1532 0.2652 0.4020 ( 4650 PWs) bands (ev): -20.9386 -20.9386 -20.9386 -20.9386 -20.0480 -20.0480 -20.0480 -20.0480 -5.7832 -5.7832 -5.7567 -5.7567 -5.2302 -5.2302 -5.1873 -5.1873 -4.9590 -4.9590 -4.8668 -4.8668 -4.7168 -4.7168 -4.6290 -4.6290 -4.2270 -4.2270 -4.2004 -4.2004 -3.9428 -3.9428 -3.9243 -3.9243 -2.4556 -2.4556 -2.4272 -2.4272 4.5793 4.5793 4.6104 4.6104 5.3943 5.3943 5.4022 5.4022 5.7937 5.7937 5.8307 5.8307 10.3348 10.3348 10.3356 10.3356 10.4634 10.4634 10.4654 10.4654 10.7692 10.7692 k = 0.1442 0.2496 0.4020 ( 4662 PWs) bands (ev): -20.9388 -20.9388 -20.9388 -20.9388 -20.0478 -20.0478 -20.0478 -20.0478 -5.7793 -5.7793 -5.7568 -5.7568 -5.2110 -5.2110 -5.1758 -5.1758 -4.9562 -4.9562 -4.8685 -4.8685 -4.7217 -4.7217 -4.6384 -4.6384 -4.2225 -4.2225 -4.2012 -4.2012 -3.9442 -3.9442 -3.9270 -3.9270 -2.4713 -2.4713 -2.4465 -2.4465 4.5899 4.5899 4.6163 4.6163 5.3845 5.3845 5.3940 5.3940 5.7847 5.7847 5.8191 5.8191 10.3526 10.3526 10.3549 10.3549 10.4329 10.4329 10.4361 10.4361 10.7321 10.7321 k = 0.1352 0.2340 0.4020 ( 4664 PWs) bands (ev): -20.9390 -20.9390 -20.9390 -20.9390 -20.0477 -20.0477 -20.0477 -20.0477 -5.7756 -5.7756 -5.7567 -5.7567 -5.1920 -5.1920 -5.1638 -5.1638 -4.9528 -4.9528 -4.8699 -4.8699 -4.7265 -4.7265 -4.6484 -4.6484 -4.2176 -4.2176 -4.2009 -4.2009 -3.9462 -3.9462 -3.9305 -3.9305 -2.4873 -2.4873 -2.4660 -2.4660 4.6023 4.6023 4.6244 4.6244 5.3747 5.3747 5.3851 5.3851 5.7738 5.7738 5.8053 5.8053 10.3640 10.3640 10.3721 10.3721 10.4033 10.4033 10.4120 10.4120 10.6968 10.6968 k = 0.1262 0.2184 0.4020 ( 4672 PWs) bands (ev): -20.9393 -20.9393 -20.9393 -20.9393 -20.0475 -20.0475 -20.0475 -20.0475 -5.7722 -5.7722 -5.7566 -5.7566 -5.1733 -5.1733 -5.1516 -5.1516 -4.9488 -4.9488 -4.8710 -4.8710 -4.7313 -4.7313 -4.6589 -4.6589 -4.2125 -4.2125 -4.1997 -4.1997 -3.9487 -3.9487 -3.9346 -3.9346 -2.5035 -2.5035 -2.4854 -2.4854 4.6164 4.6164 4.6348 4.6348 5.3651 5.3651 5.3758 5.3758 5.7609 5.7609 5.7893 5.7893 10.3550 10.3550 10.3658 10.3658 10.3952 10.3952 10.4067 10.4067 10.6640 10.6640 k = 0.1172 0.2028 0.4020 ( 4672 PWs) bands (ev): -20.9395 -20.9395 -20.9395 -20.9395 -20.0474 -20.0474 -20.0474 -20.0474 -5.7690 -5.7690 -5.7564 -5.7564 -5.1552 -5.1552 -5.1391 -5.1391 -4.9442 -4.9442 -4.8719 -4.8719 -4.7361 -4.7361 -4.6698 -4.6698 -4.2070 -4.2070 -4.1975 -4.1975 -3.9519 -3.9519 -3.9394 -3.9394 -2.5197 -2.5197 -2.5046 -2.5046 4.6322 4.6322 4.6471 4.6471 5.3559 5.3559 5.3666 5.3666 5.7460 5.7460 5.7711 5.7711 10.3292 10.3292 10.3358 10.3358 10.4088 10.4088 10.4169 10.4169 10.6334 10.6334 k = 0.1081 0.1872 0.4020 ( 4672 PWs) bands (ev): -20.9397 -20.9397 -20.9397 -20.9397 -20.0472 -20.0472 -20.0472 -20.0472 -5.7662 -5.7662 -5.7561 -5.7561 -5.1380 -5.1380 -5.1264 -5.1264 -4.9389 -4.9389 -4.8726 -4.8726 -4.7410 -4.7410 -4.6811 -4.6811 -4.2012 -4.2012 -4.1944 -4.1944 -3.9557 -3.9557 -3.9449 -3.9449 -2.5357 -2.5357 -2.5234 -2.5234 4.6493 4.6493 4.6612 4.6612 5.3474 5.3474 5.3576 5.3576 5.7291 5.7291 5.7510 5.7510 10.2999 10.2999 10.3046 10.3046 10.4218 10.4218 10.4291 10.4291 10.6058 10.6058 k = 0.0991 0.1716 0.4020 ( 4676 PWs) bands (ev): -20.9399 -20.9399 -20.9399 -20.9399 -20.0471 -20.0471 -20.0471 -20.0471 -5.7636 -5.7636 -5.7558 -5.7558 -5.1219 -5.1219 -5.1137 -5.1137 -4.9327 -4.9327 -4.8728 -4.8728 -4.7459 -4.7459 -4.6927 -4.6927 -4.1950 -4.1950 -4.1904 -4.1904 -3.9601 -3.9601 -3.9509 -3.9509 -2.5514 -2.5514 -2.5416 -2.5416 4.6674 4.6674 4.6767 4.6767 5.3397 5.3397 5.3493 5.3493 5.7103 5.7103 5.7290 5.7290 10.2701 10.2701 10.2738 10.2738 10.4331 10.4331 10.4403 10.4403 10.5820 10.5820 k = 0.0901 0.1560 0.4020 ( 4680 PWs) bands (ev): -20.9401 -20.9401 -20.9401 -20.9401 -20.0470 -20.0470 -20.0470 -20.0470 -5.7614 -5.7614 -5.7554 -5.7554 -5.1073 -5.1073 -5.1010 -5.1010 -4.9258 -4.9258 -4.8727 -4.8727 -4.7509 -4.7509 -4.7045 -4.7045 -4.1885 -4.1885 -4.1855 -4.1855 -3.9651 -3.9651 -3.9575 -3.9575 -2.5665 -2.5665 -2.5589 -2.5589 4.6864 4.6864 4.6934 4.6934 5.3332 5.3332 5.3419 5.3419 5.6898 5.6898 5.7054 5.7054 10.2411 10.2411 10.2440 10.2440 10.4423 10.4423 10.4498 10.4498 10.5619 10.5619 k = 0.0811 0.1404 0.4020 ( 4672 PWs) bands (ev): -20.9403 -20.9403 -20.9403 -20.9403 -20.0468 -20.0468 -20.0468 -20.0468 -5.7594 -5.7594 -5.7549 -5.7549 -5.0941 -5.0941 -5.0886 -5.0886 -4.9179 -4.9179 -4.8721 -4.8721 -4.7561 -4.7561 -4.7165 -4.7165 -4.1816 -4.1816 -4.1798 -4.1798 -3.9708 -3.9708 -3.9646 -3.9646 -2.5810 -2.5810 -2.5753 -2.5753 4.7058 4.7058 4.7109 4.7109 5.3281 5.3281 5.3357 5.3357 5.6677 5.6677 5.6804 5.6804 10.2135 10.2135 10.2156 10.2156 10.4496 10.4496 10.4571 10.4571 10.5455 10.5455 k = 0.0721 0.1248 0.4020 ( 4660 PWs) bands (ev): -20.9404 -20.9404 -20.9404 -20.9404 -20.0467 -20.0467 -20.0467 -20.0467 -5.7576 -5.7576 -5.7544 -5.7544 -5.0823 -5.0823 -5.0770 -5.0770 -4.9092 -4.9092 -4.8708 -4.8708 -4.7615 -4.7615 -4.7286 -4.7286 -4.1743 -4.1743 -4.1735 -4.1735 -3.9769 -3.9769 -3.9721 -3.9721 -2.5946 -2.5946 -2.5905 -2.5905 4.7252 4.7252 4.7287 4.7287 5.3247 5.3247 5.3312 5.3312 5.6445 5.6445 5.6544 5.6544 10.1877 10.1877 10.1893 10.1893 10.4550 10.4550 10.4622 10.4622 10.5327 10.5327 k = 0.0631 0.1092 0.4020 ( 4658 PWs) bands (ev): -20.9406 -20.9406 -20.9405 -20.9405 -20.0466 -20.0466 -20.0466 -20.0466 -5.7562 -5.7562 -5.7540 -5.7540 -5.0718 -5.0718 -5.0665 -5.0665 -4.8999 -4.8999 -4.8688 -4.8688 -4.7672 -4.7672 -4.7408 -4.7408 -4.1668 -4.1668 -4.1666 -4.1666 -3.9836 -3.9836 -3.9799 -3.9799 -2.6071 -2.6071 -2.6043 -2.6043 4.7440 4.7440 4.7463 4.7463 5.3232 5.3232 5.3285 5.3285 5.6203 5.6203 5.6278 5.6278 10.1642 10.1642 10.1653 10.1653 10.4587 10.4587 10.4651 10.4651 10.5231 10.5231 k = 0.0541 0.0936 0.4020 ( 4666 PWs) bands (ev): -20.9407 -20.9407 -20.9407 -20.9407 -20.0465 -20.0465 -20.0465 -20.0465 -5.7550 -5.7550 -5.7535 -5.7535 -5.0624 -5.0624 -5.0575 -5.0575 -4.8899 -4.8899 -4.8660 -4.8660 -4.7733 -4.7733 -4.7529 -4.7529 -4.1594 -4.1594 -4.1592 -4.1592 -3.9905 -3.9905 -3.9879 -3.9879 -2.6184 -2.6184 -2.6166 -2.6166 4.7618 4.7618 4.7632 4.7632 5.3238 5.3238 5.3278 5.3278 5.5957 5.5957 5.6011 5.6011 10.1433 10.1433 10.1441 10.1441 10.4608 10.4608 10.4660 10.4660 10.5166 10.5166 k = 0.0451 0.0780 0.4020 ( 4666 PWs) bands (ev): -20.9408 -20.9408 -20.9408 -20.9408 -20.0464 -20.0464 -20.0464 -20.0464 -5.7540 -5.7540 -5.7530 -5.7530 -5.0543 -5.0543 -5.0499 -5.0499 -4.8797 -4.8797 -4.8622 -4.8622 -4.7798 -4.7798 -4.7648 -4.7648 -4.1519 -4.1519 -4.1516 -4.1516 -3.9976 -3.9976 -3.9958 -3.9958 -2.6283 -2.6283 -2.6272 -2.6272 4.7780 4.7780 4.7788 4.7788 5.3264 5.3264 5.3293 5.3293 5.5713 5.5713 5.5749 5.5749 10.1252 10.1252 10.1257 10.1257 10.4618 10.4618 10.4654 10.4654 10.5123 10.5123 k = 0.0360 0.0624 0.4020 ( 4668 PWs) bands (ev): -20.9409 -20.9409 -20.9409 -20.9409 -20.0463 -20.0463 -20.0463 -20.0463 -5.7532 -5.7532 -5.7526 -5.7526 -5.0475 -5.0475 -5.0438 -5.0438 -4.8694 -4.8694 -4.8574 -4.8574 -4.7867 -4.7867 -4.7762 -4.7762 -4.1447 -4.1447 -4.1443 -4.1443 -4.0044 -4.0044 -4.0033 -4.0033 -2.6366 -2.6366 -2.6360 -2.6360 4.7921 4.7921 4.7925 4.7925 5.3310 5.3310 5.3329 5.3329 5.5479 5.5479 5.5500 5.5500 10.1102 10.1102 10.1105 10.1105 10.4618 10.4618 10.4641 10.4641 10.5096 10.5096 k = 0.0270 0.0468 0.4020 ( 4672 PWs) bands (ev): -20.9410 -20.9410 -20.9410 -20.9410 -20.0463 -20.0463 -20.0463 -20.0463 -5.7527 -5.7527 -5.7523 -5.7523 -5.0421 -5.0421 -5.0392 -5.0392 -4.8595 -4.8595 -4.8516 -4.8516 -4.7941 -4.7941 -4.7870 -4.7870 -4.1382 -4.1382 -4.1378 -4.1378 -4.0107 -4.0107 -4.0100 -4.0100 -2.6432 -2.6432 -2.6430 -2.6430 4.8036 4.8036 4.8038 4.8038 5.3369 5.3369 5.3380 5.3380 5.5266 5.5266 5.5277 5.5277 10.0983 10.0983 10.0985 10.0985 10.4613 10.4613 10.4627 10.4627 10.5079 10.5079 k = 0.0180 0.0312 0.4020 ( 4674 PWs) bands (ev): -20.9410 -20.9410 -20.9410 -20.9410 -20.0463 -20.0463 -20.0463 -20.0463 -5.7523 -5.7523 -5.7520 -5.7520 -5.0380 -5.0380 -5.0361 -5.0361 -4.8504 -4.8504 -4.8453 -4.8453 -4.8014 -4.8014 -4.7967 -4.7967 -4.1328 -4.1328 -4.1325 -4.1325 -4.0159 -4.0159 -4.0155 -4.0155 -2.6481 -2.6481 -2.6480 -2.6480 4.8121 4.8121 4.8123 4.8123 5.3432 5.3432 5.3438 5.3438 5.5087 5.5087 5.5093 5.5093 10.0898 10.0898 10.0899 10.0899 10.4607 10.4607 10.4615 10.4615 10.5069 10.5069 k = 0.0090 0.0156 0.4020 ( 4674 PWs) bands (ev): -20.9411 -20.9411 -20.9411 -20.9411 -20.0462 -20.0462 -20.0462 -20.0462 -5.7520 -5.7520 -5.7519 -5.7519 -5.0354 -5.0354 -5.0345 -5.0345 -4.8428 -4.8428 -4.8398 -4.8398 -4.8075 -4.8075 -4.8046 -4.8046 -4.1292 -4.1292 -4.1290 -4.1290 -4.0193 -4.0193 -4.0191 -4.0191 -2.6511 -2.6511 -2.6510 -2.6510 4.8174 4.8174 4.8175 4.8175 5.3483 5.3483 5.3486 5.3486 5.4965 5.4965 5.4968 5.4968 10.0847 10.0847 10.0847 10.0847 10.4603 10.4603 10.4607 10.4607 10.5063 10.5063 k = 0.0000 0.0000 0.4020 ( 4674 PWs) bands (ev): -20.9411 -20.9411 -20.9411 -20.9411 -20.0462 -20.0462 -20.0462 -20.0462 -5.7519 -5.7519 -5.7519 -5.7519 -5.0342 -5.0342 -5.0342 -5.0342 -4.8385 -4.8385 -4.8385 -4.8385 -4.8091 -4.8091 -4.8091 -4.8091 -4.1278 -4.1278 -4.1278 -4.1278 -4.0205 -4.0205 -4.0205 -4.0205 -2.6520 -2.6520 -2.6520 -2.6520 4.8192 4.8192 4.8192 4.8192 5.3504 5.3504 5.3504 5.3504 5.4922 5.4922 5.4922 5.4922 10.0830 10.0830 10.0830 10.0830 10.4603 10.4603 10.4603 10.4603 10.5063 10.5063 k = 0.0000 0.0000 0.4020 ( 4674 PWs) bands (ev): -20.9411 -20.9411 -20.9411 -20.9411 -20.0462 -20.0462 -20.0462 -20.0462 -5.7519 -5.7519 -5.7519 -5.7519 -5.0342 -5.0342 -5.0342 -5.0342 -4.8385 -4.8385 -4.8385 -4.8385 -4.8091 -4.8091 -4.8091 -4.8091 -4.1278 -4.1278 -4.1278 -4.1278 -4.0205 -4.0205 -4.0205 -4.0205 -2.6520 -2.6520 -2.6520 -2.6520 4.8192 4.8192 4.8192 4.8192 5.3504 5.3504 5.3504 5.3504 5.4922 5.4922 5.4922 5.4922 10.0830 10.0830 10.0830 10.0830 10.4603 10.4603 10.4603 10.4603 10.5063 10.5063 k = 0.0000 0.0000 0.3846 ( 4664 PWs) bands (ev): -20.9450 -20.9450 -20.9371 -20.9371 -20.0463 -20.0463 -20.0462 -20.0462 -5.7632 -5.7632 -5.7417 -5.7417 -5.0474 -5.0474 -5.0197 -5.0197 -4.8480 -4.8480 -4.8291 -4.8291 -4.8181 -4.8181 -4.7993 -4.7993 -4.1328 -4.1328 -4.1220 -4.1220 -4.0273 -4.0273 -4.0137 -4.0137 -2.6633 -2.6633 -2.6429 -2.6429 4.7964 4.7964 4.8443 4.8443 5.3205 5.3205 5.3835 5.3835 5.4686 5.4686 5.5165 5.5165 9.9832 9.9832 10.1822 10.1822 10.4305 10.4305 10.4743 10.4743 10.4824 10.4824 k = 0.0000 0.0000 0.3671 ( 4676 PWs) bands (ev): -20.9488 -20.9488 -20.9333 -20.9333 -20.0464 -20.0464 -20.0461 -20.0461 -5.7758 -5.7758 -5.7327 -5.7327 -5.0592 -5.0592 -5.0041 -5.0041 -4.8573 -4.8573 -4.8281 -4.8281 -4.8184 -4.8184 -4.7890 -4.7890 -4.1368 -4.1368 -4.1152 -4.1152 -4.0343 -4.0343 -4.0071 -4.0071 -2.6766 -2.6766 -2.6358 -2.6358 4.7760 4.7760 4.8715 4.8715 5.2938 5.2938 5.4200 5.4200 5.4457 5.4457 5.5412 5.5412 9.8835 9.8835 10.2801 10.2801 10.3932 10.3932 10.4349 10.4349 10.4970 10.4970 k = 0.0000 0.0000 0.3496 ( 4670 PWs) bands (ev): -20.9527 -20.9527 -20.9294 -20.9294 -20.0464 -20.0464 -20.0461 -20.0461 -5.7893 -5.7893 -5.7249 -5.7249 -5.0695 -5.0695 -4.9876 -4.9876 -4.8664 -4.8664 -4.8364 -4.8364 -4.8090 -4.8090 -4.7782 -4.7782 -4.1400 -4.1400 -4.1075 -4.1075 -4.0413 -4.0413 -4.0006 -4.0006 -2.6920 -2.6920 -2.6308 -2.6308 4.7580 4.7580 4.9005 4.9005 5.2702 5.2702 5.4234 5.4234 5.4601 5.4601 5.5664 5.5664 9.7844 9.7844 10.3489 10.3489 10.3756 10.3756 10.3891 10.3891 10.5051 10.5051 k = 0.0000 0.0000 0.3321 ( 4651 PWs) bands (ev): -20.9564 -20.9564 -20.9256 -20.9256 -20.0465 -20.0465 -20.0460 -20.0460 -5.8038 -5.8038 -5.7181 -5.7181 -5.0782 -5.0782 -4.9705 -4.9705 -4.8753 -4.8753 -4.8447 -4.8447 -4.7992 -4.7992 -4.7667 -4.7667 -4.1423 -4.1423 -4.0988 -4.0988 -4.0483 -4.0483 -3.9944 -3.9944 -2.7093 -2.7093 -2.6278 -2.6278 4.7425 4.7425 4.9310 4.9310 5.2494 5.2494 5.4020 5.4020 5.5039 5.5039 5.5919 5.5919 9.6865 9.6865 10.2989 10.2989 10.3369 10.3369 10.4642 10.4642 10.5118 10.5118 k = 0.0000 0.0000 0.3146 ( 4659 PWs) bands (ev): -20.9601 -20.9601 -20.9219 -20.9219 -20.0466 -20.0466 -20.0459 -20.0459 -5.8190 -5.8190 -5.7125 -5.7125 -5.0852 -5.0852 -4.9533 -4.9533 -4.8840 -4.8840 -4.8528 -4.8528 -4.7895 -4.7895 -4.7546 -4.7546 -4.1438 -4.1438 -4.0892 -4.0892 -4.0553 -4.0553 -3.9883 -3.9883 -2.7284 -2.7284 -2.6267 -2.6267 4.7294 4.7294 4.9624 4.9624 5.2316 5.2316 5.3814 5.3814 5.5515 5.5515 5.6176 5.6176 9.5900 9.5900 10.2441 10.2441 10.2803 10.2803 10.4935 10.4935 10.5586 10.5586 k = 0.0000 0.0000 0.2972 ( 4663 PWs) bands (ev): -20.9637 -20.9637 -20.9182 -20.9182 -20.0467 -20.0467 -20.0459 -20.0459 -5.8348 -5.8348 -5.7079 -5.7079 -5.0908 -5.0908 -4.9361 -4.9361 -4.8923 -4.8923 -4.8606 -4.8606 -4.7799 -4.7799 -4.7417 -4.7417 -4.1446 -4.1446 -4.0786 -4.0786 -4.0622 -4.0622 -3.9824 -3.9824 -2.7492 -2.7492 -2.6274 -2.6274 4.7184 4.7184 4.9945 4.9945 5.2166 5.2166 5.3617 5.3617 5.6031 5.6031 5.6434 5.6434 9.4957 9.4957 10.1856 10.1856 10.2200 10.2200 10.4870 10.4870 10.5520 10.5520 k = 0.0000 0.0000 0.2797 ( 4671 PWs) bands (ev): -20.9672 -20.9672 -20.9146 -20.9146 -20.0467 -20.0467 -20.0459 -20.0459 -5.8511 -5.8511 -5.7042 -5.7042 -5.0949 -5.0949 -4.9193 -4.9193 -4.9004 -4.9004 -4.8683 -4.8683 -4.7703 -4.7703 -4.7282 -4.7282 -4.1446 -4.1446 -4.0692 -4.0692 -4.0671 -4.0671 -3.9768 -3.9768 -2.7716 -2.7716 -2.6297 -2.6297 4.7093 4.7093 5.0268 5.0268 5.2043 5.2043 5.3429 5.3429 5.6586 5.6586 5.6692 5.6692 9.4037 9.4037 10.1248 10.1248 10.1573 10.1573 10.4751 10.4751 10.5419 10.5419 k = 0.0000 0.0000 0.2622 ( 4703 PWs) bands (ev): -20.9706 -20.9706 -20.9112 -20.9112 -20.0468 -20.0468 -20.0459 -20.0459 -5.8675 -5.8675 -5.7012 -5.7012 -5.0977 -5.0977 -4.9085 -4.9085 -4.9027 -4.9027 -4.8758 -4.8758 -4.7610 -4.7610 -4.7139 -4.7139 -4.1441 -4.1441 -4.0760 -4.0760 -4.0549 -4.0549 -3.9714 -3.9714 -2.7953 -2.7953 -2.6335 -2.6335 4.7020 4.7020 5.0588 5.0588 5.1948 5.1948 5.3251 5.3251 5.6948 5.6948 5.7179 5.7179 9.3146 9.3146 10.0627 10.0627 10.0932 10.0932 10.4602 10.4602 10.5290 10.5290 k = 0.0000 0.0000 0.2447 ( 4703 PWs) bands (ev): -20.9738 -20.9738 -20.9079 -20.9079 -20.0469 -20.0469 -20.0458 -20.0458 -5.8839 -5.8839 -5.6990 -5.6990 -5.0992 -5.0992 -4.9156 -4.9156 -4.8878 -4.8878 -4.8830 -4.8830 -4.7519 -4.7519 -4.6991 -4.6991 -4.1429 -4.1429 -4.0827 -4.0827 -4.0417 -4.0417 -3.9663 -3.9663 -2.8200 -2.8200 -2.6386 -2.6386 4.6960 4.6960 5.0902 5.0902 5.1879 5.1879 5.3082 5.3082 5.7202 5.7202 5.7809 5.7809 9.2288 9.2288 10.0005 10.0005 10.0289 10.0289 10.4435 10.4435 10.5143 10.5143 k = 0.0000 0.0000 0.2272 ( 4693 PWs) bands (ev): -20.9768 -20.9768 -20.9047 -20.9047 -20.0470 -20.0470 -20.0458 -20.0458 -5.9001 -5.9001 -5.6972 -5.6972 -5.0996 -5.0996 -4.9224 -4.9224 -4.8904 -4.8904 -4.8732 -4.8732 -4.7431 -4.7431 -4.6837 -4.6837 -4.1412 -4.1412 -4.0891 -4.0891 -4.0277 -4.0277 -3.9614 -3.9614 -2.8457 -2.8457 -2.6447 -2.6447 4.6913 4.6913 5.1207 5.1207 5.1835 5.1835 5.2925 5.2925 5.7450 5.7450 5.8473 5.8473 9.1465 9.1465 9.9390 9.9390 9.9651 9.9651 10.4256 10.4256 10.4983 10.4983 k = 0.0000 0.0000 0.2098 ( 4669 PWs) bands (ev): -20.9796 -20.9796 -20.9017 -20.9017 -20.0470 -20.0470 -20.0457 -20.0457 -5.9159 -5.9159 -5.6960 -5.6960 -5.0990 -5.0990 -4.9289 -4.9289 -4.8974 -4.8974 -4.8601 -4.8601 -4.7346 -4.7346 -4.6682 -4.6682 -4.1389 -4.1389 -4.0954 -4.0954 -4.0131 -4.0131 -3.9569 -3.9569 -2.8719 -2.8719 -2.6517 -2.6517 4.6875 4.6875 5.1499 5.1499 5.1814 5.1814 5.2777 5.2777 5.7692 5.7692 5.9164 5.9164 9.0682 9.0682 9.8791 9.8791 9.9029 9.9029 10.4074 10.4074 10.4818 10.4818 k = 0.0000 0.0000 0.1923 ( 4675 PWs) bands (ev): -20.9823 -20.9823 -20.8989 -20.8989 -20.0471 -20.0471 -20.0457 -20.0457 -5.9311 -5.9311 -5.6952 -5.6952 -5.0975 -5.0975 -4.9350 -4.9350 -4.9043 -4.9043 -4.8482 -4.8482 -4.7265 -4.7265 -4.6526 -4.6526 -4.1365 -4.1365 -4.1013 -4.1013 -3.9980 -3.9980 -3.9527 -3.9527 -2.8984 -2.8984 -2.6593 -2.6593 4.6843 4.6843 5.1777 5.1777 5.1815 5.1815 5.2641 5.2641 5.7925 5.7925 5.9877 5.9877 8.9940 8.9940 9.8214 9.8214 9.8429 9.8429 10.3891 10.3891 10.4652 10.4652 k = 0.0000 0.0000 0.1748 ( 4675 PWs) bands (ev): -20.9849 -20.9849 -20.8963 -20.8963 -20.0472 -20.0472 -20.0457 -20.0457 -5.9455 -5.9455 -5.6947 -5.6947 -5.0954 -5.0954 -4.9406 -4.9406 -4.9110 -4.9110 -4.8375 -4.8375 -4.7189 -4.7189 -4.6373 -4.6373 -4.1337 -4.1337 -4.1070 -4.1070 -3.9826 -3.9826 -3.9488 -3.9488 -2.9248 -2.9248 -2.6673 -2.6673 4.6817 4.6817 5.1833 5.1833 5.2037 5.2037 5.2515 5.2515 5.8147 5.8147 6.0603 6.0603 8.9244 8.9244 9.7668 9.7668 9.7859 9.7859 10.3714 10.3714 10.4490 10.4490 k = 0.0000 0.0000 0.1573 ( 4677 PWs) bands (ev): -20.9872 -20.9872 -20.8939 -20.8939 -20.0472 -20.0472 -20.0457 -20.0457 -5.9591 -5.9591 -5.6945 -5.6945 -5.0927 -5.0927 -4.9457 -4.9457 -4.9175 -4.9175 -4.8279 -4.8279 -4.7118 -4.7118 -4.6226 -4.6226 -4.1308 -4.1308 -4.1123 -4.1123 -3.9669 -3.9669 -3.9453 -3.9453 -2.9508 -2.9508 -2.6755 -2.6755 4.6795 4.6795 5.1867 5.1867 5.2278 5.2278 5.2401 5.2401 5.8357 5.8357 6.1333 6.1333 8.8596 8.8596 9.7157 9.7157 9.7324 9.7324 10.3545 10.3545 10.4334 10.4334 k = 0.0000 0.0000 0.1398 ( 4667 PWs) bands (ev): -20.9892 -20.9892 -20.8917 -20.8917 -20.0473 -20.0473 -20.0457 -20.0457 -5.9716 -5.9716 -5.6945 -5.6945 -5.0895 -5.0895 -4.9503 -4.9503 -4.9237 -4.9237 -4.8195 -4.8195 -4.7052 -4.7052 -4.6086 -4.6086 -4.1278 -4.1278 -4.1172 -4.1172 -3.9514 -3.9514 -3.9420 -3.9420 -2.9760 -2.9760 -2.6835 -2.6835 4.6776 4.6776 5.1912 5.1912 5.2298 5.2298 5.2498 5.2498 5.8553 5.8553 6.2054 6.2054 8.7999 8.7999 9.6686 9.6686 9.6831 9.6831 10.3386 10.3386 10.3911 10.3911 k = 0.0000 0.0000 0.1224 ( 4665 PWs) bands (ev): -20.9911 -20.9911 -20.8897 -20.8897 -20.0473 -20.0473 -20.0457 -20.0457 -5.9829 -5.9829 -5.6946 -5.6946 -5.0861 -5.0861 -4.9544 -4.9544 -4.9297 -4.9297 -4.8121 -4.8121 -4.6992 -4.6992 -4.5957 -4.5957 -4.1249 -4.1249 -4.1217 -4.1217 -3.9392 -3.9392 -3.9363 -3.9363 -2.9999 -2.9999 -2.6913 -2.6913 4.6759 4.6759 5.1965 5.1965 5.2207 5.2207 5.2696 5.2696 5.8731 5.8731 6.2753 6.2753 8.7455 8.7455 9.6260 9.6260 9.6383 9.6383 10.2786 10.2786 10.3246 10.3246 k = 0.0000 0.0000 0.1049 ( 4681 PWs) bands (ev): -20.9927 -20.9927 -20.8880 -20.8880 -20.0474 -20.0474 -20.0457 -20.0457 -5.9929 -5.9929 -5.6948 -5.6948 -5.0826 -5.0826 -4.9581 -4.9581 -4.9352 -4.9352 -4.8059 -4.8059 -4.6940 -4.6940 -4.5841 -4.5841 -4.1257 -4.1257 -4.1220 -4.1220 -3.9367 -3.9367 -3.9220 -3.9220 -3.0221 -3.0221 -2.6985 -2.6985 4.6743 4.6743 5.2020 5.2020 5.2128 5.2128 5.2871 5.2871 5.8891 5.8891 6.3414 6.3414 8.6969 8.6969 9.5883 9.5883 9.5986 9.5986 10.1765 10.1765 10.3117 10.3117 k = 0.0000 0.0000 0.0874 ( 4681 PWs) bands (ev): -20.9941 -20.9941 -20.8865 -20.8865 -20.0474 -20.0474 -20.0457 -20.0457 -6.0015 -6.0015 -5.6950 -5.6950 -5.0792 -5.0792 -4.9611 -4.9611 -4.9403 -4.9403 -4.8007 -4.8007 -4.6894 -4.6894 -4.5740 -4.5740 -4.1291 -4.1291 -4.1195 -4.1195 -3.9346 -3.9346 -3.9088 -3.9088 -3.0421 -3.0421 -2.7050 -2.7050 4.6730 4.6730 5.2061 5.2061 5.2076 5.2076 5.3021 5.3021 5.9030 5.9030 6.4020 6.4020 8.6545 8.6545 9.5557 9.5557 9.5644 9.5644 10.0861 10.0861 10.3007 10.3007 k = 0.0000 0.0000 0.0699 ( 4681 PWs) bands (ev): -20.9953 -20.9953 -20.8853 -20.8853 -20.0475 -20.0475 -20.0456 -20.0456 -6.0087 -6.0087 -5.6952 -5.6952 -5.0760 -5.0760 -4.9636 -4.9636 -4.9447 -4.9447 -4.7964 -4.7964 -4.6856 -4.6856 -4.5655 -4.5655 -4.1320 -4.1320 -4.1173 -4.1173 -3.9329 -3.9329 -3.8972 -3.8972 -3.0594 -3.0594 -2.7105 -2.7105 4.6719 4.6719 5.2006 5.2006 5.2126 5.2126 5.3145 5.3145 5.9146 5.9146 6.4551 6.4551 8.6186 8.6186 9.5287 9.5287 9.5359 9.5359 10.0093 10.0093 10.2914 10.2914 k = 0.0000 0.0000 0.0524 ( 4665 PWs) bands (ev): -20.9962 -20.9962 -20.8843 -20.8843 -20.0474 -20.0474 -20.0456 -20.0456 -6.0143 -6.0143 -5.6954 -5.6954 -5.0732 -5.0732 -4.9656 -4.9656 -4.9484 -4.9484 -4.7931 -4.7931 -4.6826 -4.6826 -4.5588 -4.5588 -4.1342 -4.1342 -4.1154 -4.1154 -3.9315 -3.9315 -3.8875 -3.8875 -3.0734 -3.0734 -2.7150 -2.7150 4.6710 4.6710 5.1963 5.1963 5.2169 5.2169 5.3243 5.3243 5.9238 5.9238 6.4991 6.4991 8.5899 8.5899 9.5074 9.5074 9.5135 9.5135 9.9476 9.9476 10.2842 10.2842 k = 0.0000 0.0000 0.0350 ( 4677 PWs) bands (ev): -20.9968 -20.9968 -20.8837 -20.8837 -20.0475 -20.0475 -20.0456 -20.0456 -6.0184 -6.0184 -5.6956 -5.6956 -5.0711 -5.0711 -4.9670 -4.9670 -4.9512 -4.9512 -4.7908 -4.7908 -4.6805 -4.6805 -4.5539 -4.5539 -4.1359 -4.1359 -4.1141 -4.1141 -3.9305 -3.9305 -3.8804 -3.8804 -3.0838 -3.0838 -2.7183 -2.7183 4.6704 4.6704 5.1932 5.1932 5.2202 5.2202 5.3313 5.3313 5.9305 5.9305 6.5319 6.5319 8.5689 8.5689 9.4920 9.4920 9.4974 9.4974 9.9025 9.9025 10.2790 10.2790 k = 0.0000 0.0000 0.0175 ( 4687 PWs) bands (ev): -20.9972 -20.9972 -20.8833 -20.8833 -20.0475 -20.0475 -20.0457 -20.0457 -6.0208 -6.0208 -5.6957 -5.6957 -5.0697 -5.0697 -4.9679 -4.9679 -4.9529 -4.9529 -4.7894 -4.7894 -4.6792 -4.6792 -4.5510 -4.5510 -4.1369 -4.1369 -4.1133 -4.1133 -3.9300 -3.9300 -3.8759 -3.8759 -3.0902 -3.0902 -2.7204 -2.7204 4.6700 4.6700 5.1914 5.1914 5.2223 5.2223 5.3355 5.3355 5.9346 5.9346 6.5523 6.5523 8.5560 8.5560 9.4826 9.4826 9.4877 9.4877 9.8749 9.8749 10.2758 10.2758 k = 0.0000 0.0000 0.0000 ( 4675 PWs) bands (ev): -20.9973 -20.9973 -20.8831 -20.8831 -20.0475 -20.0475 -20.0456 -20.0456 -6.0216 -6.0216 -5.6957 -5.6957 -5.0692 -5.0692 -4.9681 -4.9681 -4.9535 -4.9535 -4.7889 -4.7889 -4.6787 -4.6787 -4.5499 -4.5499 -4.1372 -4.1372 -4.1130 -4.1130 -3.9298 -3.9298 -3.8744 -3.8744 -3.0924 -3.0924 -2.7210 -2.7210 4.6699 4.6699 5.1908 5.1908 5.2230 5.2230 5.3369 5.3369 5.9359 5.9359 6.5592 6.5592 8.5517 8.5517 9.4795 9.4795 9.4844 9.4844 9.8656 9.8656 10.2748 10.2748 k = 0.0000 0.0000 0.0000 ( 4675 PWs) bands (ev): -20.9973 -20.9973 -20.8831 -20.8831 -20.0475 -20.0475 -20.0456 -20.0456 -6.0216 -6.0216 -5.6957 -5.6957 -5.0692 -5.0692 -4.9681 -4.9681 -4.9535 -4.9535 -4.7889 -4.7889 -4.6787 -4.6787 -4.5499 -4.5499 -4.1372 -4.1372 -4.1130 -4.1130 -3.9298 -3.9298 -3.8744 -3.8744 -3.0924 -3.0924 -2.7210 -2.7210 4.6699 4.6699 5.1908 5.1908 5.2230 5.2230 5.3369 5.3369 5.9359 5.9359 6.5592 6.5592 8.5517 8.5517 9.4795 9.4795 9.4844 9.4844 9.8656 9.8656 10.2748 10.2748 k =-0.0156 0.0090-0.0000 ( 4687 PWs) bands (ev): -20.9973 -20.9973 -20.8831 -20.8831 -20.0475 -20.0475 -20.0457 -20.0457 -6.0218 -6.0217 -5.6958 -5.6957 -5.0714 -5.0696 -4.9765 -4.9750 -4.9468 -4.9429 -4.7895 -4.7895 -4.6791 -4.6785 -4.5502 -4.5501 -4.1372 -4.1372 -4.1127 -4.1126 -3.9313 -3.9313 -3.8750 -3.8750 -3.0894 -3.0894 -2.7205 -2.7204 4.6707 4.6709 5.1915 5.1916 5.2238 5.2240 5.3356 5.3357 5.9336 5.9336 6.5570 6.5571 8.5583 8.5585 9.4811 9.4811 9.4888 9.4889 9.8671 9.8671 10.2705 10.2705 k =-0.0312 0.0181-0.0000 ( 4679 PWs) bands (ev): -20.9973 -20.9973 -20.8831 -20.8831 -20.0475 -20.0475 -20.0457 -20.0457 -6.0221 -6.0221 -5.6959 -5.6958 -5.0761 -5.0727 -4.9868 -4.9865 -4.9334 -4.9283 -4.7910 -4.7910 -4.6795 -4.6785 -4.5506 -4.5504 -4.1370 -4.1370 -4.1116 -4.1114 -3.9361 -3.9361 -3.8767 -3.8766 -3.0806 -3.0805 -2.7188 -2.7186 4.6734 4.6739 5.1939 5.1941 5.2263 5.2267 5.3318 5.3320 5.9268 5.9268 6.5504 6.5506 8.5780 8.5783 9.4853 9.4853 9.5028 9.5028 9.8716 9.8717 10.2551 10.2552 k =-0.0469 0.0271-0.0000 ( 4677 PWs) bands (ev): -20.9972 -20.9972 -20.8831 -20.8831 -20.0476 -20.0476 -20.0457 -20.0457 -6.0226 -6.0226 -5.6960 -5.6960 -5.0834 -5.0785 -4.9967 -4.9958 -4.9190 -4.9130 -4.7937 -4.7937 -4.6801 -4.6785 -4.5513 -4.5510 -4.1368 -4.1367 -4.1097 -4.1093 -3.9442 -3.9441 -3.8789 -3.8788 -3.0663 -3.0662 -2.7160 -2.7156 4.6780 4.6787 5.1976 5.1979 5.2305 5.2311 5.3255 5.3258 5.9160 5.9160 6.5397 6.5399 8.6102 8.6107 9.4919 9.4919 9.5261 9.5262 9.8791 9.8792 10.2246 10.2247 k =-0.0625 0.0361-0.0000 ( 4669 PWs) bands (ev): -20.9970 -20.9970 -20.8831 -20.8831 -20.0477 -20.0477 -20.0457 -20.0457 -6.0233 -6.0233 -5.6963 -5.6962 -5.0929 -5.0869 -5.0051 -5.0032 -4.9044 -4.8977 -4.7973 -4.7972 -4.6807 -4.6786 -4.5521 -4.5518 -4.1365 -4.1365 -4.1070 -4.1065 -3.9553 -3.9551 -3.8814 -3.8812 -3.0471 -3.0470 -2.7120 -2.7115 4.6844 4.6853 5.2024 5.2029 5.2365 5.2372 5.3168 5.3172 5.9020 5.9020 6.5252 6.5255 8.6537 8.6544 9.5010 9.5010 9.5583 9.5584 9.8897 9.8899 10.1807 10.1808 k =-0.0781 0.0451-0.0000 ( 4673 PWs) bands (ev): -20.9969 -20.9969 -20.8831 -20.8831 -20.0478 -20.0478 -20.0457 -20.0457 -6.0242 -6.0242 -5.6966 -5.6965 -5.1044 -5.0978 -5.0118 -5.0092 -4.8901 -4.8826 -4.8018 -4.8017 -4.6813 -4.6786 -4.5532 -4.5528 -4.1363 -4.1362 -4.1037 -4.1030 -3.9691 -3.9688 -3.8839 -3.8837 -3.0238 -3.0237 -2.7070 -2.7063 4.6926 4.6937 5.2076 5.2083 5.2442 5.2451 5.3061 5.3068 5.8857 5.8857 6.5075 6.5078 8.7073 8.7081 9.5127 9.5127 9.5989 9.5991 9.9034 9.9036 10.1292 10.1293 k =-0.0938 0.0542-0.0000 ( 4669 PWs) bands (ev): -20.9967 -20.9967 -20.8830 -20.8830 -20.0479 -20.0479 -20.0457 -20.0457 -6.0253 -6.0252 -5.6970 -5.6969 -5.1173 -5.1104 -5.0170 -5.0141 -4.8763 -4.8683 -4.8070 -4.8069 -4.6816 -4.6783 -4.5544 -4.5540 -4.1361 -4.1360 -4.0996 -4.0988 -3.9849 -3.9845 -3.8862 -3.8860 -2.9969 -2.9968 -2.7008 -2.7000 4.7025 4.7037 5.2116 5.2125 5.2535 5.2546 5.2949 5.2957 5.8681 5.8681 6.4869 6.4873 8.7692 8.7701 9.5268 9.5268 9.6474 9.6476 9.9204 9.9207 10.0749 10.0749 k =-0.1094 0.0632-0.0000 ( 4661 PWs) bands (ev): -20.9965 -20.9965 -20.8830 -20.8830 -20.0480 -20.0480 -20.0457 -20.0457 -6.0265 -6.0265 -5.6975 -5.6974 -5.1311 -5.1242 -5.0213 -5.0183 -4.8639 -4.8554 -4.8123 -4.8123 -4.6815 -4.6778 -4.5558 -4.5553 -4.1359 -4.1357 -4.0952 -4.0942 -4.0020 -4.0016 -3.8885 -3.8883 -2.9673 -2.9672 -2.6936 -2.6927 4.7139 4.7154 5.2112 5.2123 5.2644 5.2657 5.2861 5.2871 5.8503 5.8503 6.4641 6.4645 8.8376 8.8386 9.5434 9.5434 9.7029 9.7033 9.9409 9.9412 10.0210 10.0212 k =-0.1250 0.0722-0.0000 ( 4665 PWs) bands (ev): -20.9962 -20.9962 -20.8830 -20.8830 -20.0482 -20.0482 -20.0458 -20.0458 -6.0279 -6.0279 -5.6981 -5.6980 -5.1456 -5.1389 -5.0250 -5.0220 -4.8540 -4.8457 -4.8168 -4.8163 -4.6808 -4.6766 -4.5573 -4.5568 -4.1357 -4.1354 -4.0906 -4.0895 -4.0196 -4.0191 -3.8907 -3.8905 -2.9356 -2.9354 -2.6854 -2.6844 4.7269 4.7285 5.2021 5.2033 5.2769 5.2783 5.2843 5.2851 5.8329 5.8329 6.4395 6.4399 8.9102 8.9114 9.5624 9.5624 9.7644 9.7652 9.9645 9.9645 9.9708 9.9712 k =-0.1406 0.0812 0.0000 ( 4667 PWs) bands (ev): -20.9959 -20.9959 -20.8830 -20.8830 -20.0484 -20.0484 -20.0458 -20.0458 -6.0295 -6.0294 -5.6988 -5.6987 -5.1604 -5.1540 -5.0284 -5.0255 -4.8494 -4.8431 -4.8180 -4.8152 -4.6792 -4.6747 -4.5589 -4.5583 -4.1355 -4.1352 -4.0867 -4.0856 -4.0363 -4.0359 -3.8928 -3.8926 -2.9023 -2.9022 -2.6763 -2.6752 4.7412 4.7429 5.1834 5.1844 5.2889 5.2906 5.2923 5.2927 5.8167 5.8167 6.4135 6.4138 8.9847 8.9859 9.5837 9.5837 9.8299 9.8324 9.9241 9.9265 9.9932 9.9937 k =-0.1562 0.0903-0.0000 ( 4659 PWs) bands (ev): -20.9956 -20.9956 -20.8829 -20.8829 -20.0486 -20.0486 -20.0459 -20.0459 -6.0312 -6.0311 -5.6996 -5.6995 -5.1754 -5.1693 -5.0315 -5.0288 -4.8519 -4.8479 -4.8140 -4.8088 -4.6765 -4.6718 -4.5606 -4.5600 -4.1353 -4.1349 -4.0858 -4.0849 -4.0493 -4.0493 -3.8949 -3.8947 -2.8681 -2.8680 -2.6663 -2.6652 4.7568 4.7585 5.1577 5.1585 5.3003 5.3015 5.3076 5.3084 5.8021 5.8021 6.3866 6.3869 9.0581 9.0594 9.6072 9.6072 9.8740 9.8852 9.9037 9.9148 10.0259 10.0264 k =-0.1719 0.0993-0.0000 ( 4669 PWs) bands (ev): -20.9953 -20.9953 -20.8829 -20.8829 -20.0488 -20.0488 -20.0459 -20.0459 -6.0329 -6.0328 -5.7005 -5.7004 -5.1904 -5.1847 -5.0347 -5.0322 -4.8589 -4.8561 -4.8077 -4.8013 -4.6724 -4.6676 -4.5623 -4.5617 -4.1352 -4.1348 -4.0921 -4.0921 -4.0548 -4.0540 -3.8969 -3.8967 -2.8334 -2.8332 -2.6556 -2.6544 4.7734 4.7752 5.1276 5.1283 5.3141 5.3152 5.3249 5.3256 5.7890 5.7891 6.3591 6.3594 9.1269 9.1282 9.6328 9.6328 9.8521 9.8557 9.9771 9.9806 10.0640 10.0644 k =-0.1875 0.1083-0.0000 ( 4661 PWs) bands (ev): -20.9949 -20.9949 -20.8829 -20.8829 -20.0490 -20.0490 -20.0460 -20.0460 -6.0348 -6.0347 -5.7015 -5.7014 -5.2052 -5.1999 -5.0378 -5.0355 -4.8679 -4.8656 -4.8015 -4.7949 -4.6667 -4.6621 -4.5641 -4.5634 -4.1357 -4.1352 -4.1049 -4.1044 -4.0528 -4.0515 -3.8989 -3.8987 -2.7986 -2.7984 -2.6443 -2.6430 4.7908 4.7926 5.0947 5.0954 5.3296 5.3307 5.3437 5.3443 5.7777 5.7779 6.3315 6.3317 9.1872 9.1887 9.6605 9.6605 9.8348 9.8376 10.0505 10.0527 10.1089 10.1090 k =-0.2031 0.1174 0.0000 ( 4661 PWs) bands (ev): -20.9946 -20.9946 -20.8828 -20.8828 -20.0492 -20.0492 -20.0460 -20.0460 -6.0367 -6.0366 -5.7027 -5.7026 -5.2199 -5.2149 -5.0410 -5.0389 -4.8779 -4.8759 -4.7964 -4.7899 -4.6594 -4.6551 -4.5659 -4.5652 -4.1385 -4.1379 -4.1174 -4.1166 -4.0480 -4.0463 -3.9007 -3.9005 -2.7641 -2.7638 -2.6324 -2.6310 4.8087 4.8104 5.0603 5.0611 5.3461 5.3472 5.3641 5.3645 5.7679 5.7681 6.3039 6.3041 9.2352 9.2367 9.6900 9.6900 9.8304 9.8330 10.1203 10.1209 10.1619 10.1634 k =-0.2188 0.1264-0.0000 ( 4665 PWs) bands (ev): -20.9942 -20.9942 -20.8828 -20.8828 -20.0494 -20.0494 -20.0461 -20.0461 -6.0386 -6.0385 -5.7040 -5.7039 -5.2343 -5.2297 -5.0443 -5.0424 -4.8884 -4.8866 -4.7926 -4.7865 -4.6507 -4.6469 -4.5677 -4.5670 -4.1475 -4.1467 -4.1236 -4.1228 -4.0422 -4.0403 -3.9023 -3.9021 -2.7301 -2.7298 -2.6201 -2.6187 4.8264 4.8280 5.0258 5.0267 5.3633 5.3643 5.3858 5.3861 5.7594 5.7597 6.2767 6.2768 9.2680 9.2696 9.7212 9.7212 9.8401 9.8427 10.1825 10.1839 10.2235 10.2271 k =-0.2344 0.1354-0.0000 ( 4667 PWs) bands (ev): -20.9938 -20.9938 -20.8828 -20.8828 -20.0496 -20.0496 -20.0461 -20.0461 -6.0406 -6.0404 -5.7054 -5.7053 -5.2483 -5.2441 -5.0477 -5.0460 -4.8991 -4.8974 -4.7901 -4.7845 -4.6409 -4.6376 -4.5695 -4.5689 -4.1612 -4.1602 -4.1244 -4.1237 -4.0362 -4.0342 -3.9037 -3.9034 -2.6969 -2.6966 -2.6075 -2.6060 4.8428 4.8441 4.9930 4.9941 5.3807 5.3816 5.4088 5.4090 5.7520 5.7525 6.2501 6.2501 9.2851 9.2867 9.7540 9.7540 9.8630 9.8657 10.2397 10.2425 10.2892 10.2944 k =-0.2500 0.1444-0.0000 ( 4678 PWs) bands (ev): -20.9935 -20.9935 -20.8828 -20.8828 -20.0499 -20.0499 -20.0462 -20.0462 -6.0425 -6.0424 -5.7070 -5.7069 -5.2619 -5.2581 -5.0511 -5.0496 -4.9099 -4.9083 -4.7886 -4.7836 -4.6302 -4.6275 -4.5713 -4.5707 -4.1759 -4.1748 -4.1235 -4.1228 -4.0304 -4.0283 -3.9047 -3.9045 -2.6648 -2.6645 -2.5947 -2.5933 4.8546 4.8553 4.9654 4.9671 5.3981 5.3989 5.4330 5.4331 5.7455 5.7461 6.2242 6.2242 9.2881 9.2897 9.7881 9.7882 9.8962 9.8989 10.2902 10.2933 10.3571 10.3629 k =-0.2656 0.1535-0.0000 ( 4674 PWs) bands (ev): -20.9931 -20.9931 -20.8827 -20.8827 -20.0501 -20.0501 -20.0462 -20.0462 -6.0445 -6.0443 -5.7086 -5.7085 -5.2751 -5.2716 -5.0546 -5.0533 -4.9205 -4.9190 -4.7880 -4.7836 -4.6190 -4.6168 -4.5731 -4.5725 -4.1904 -4.1891 -4.1217 -4.1210 -4.0249 -4.0228 -3.9054 -3.9051 -2.6340 -2.6336 -2.5819 -2.5805 4.8547 4.8549 4.9505 4.9530 5.4153 5.4159 5.4583 5.4583 5.7397 5.7405 6.1990 6.1991 9.2799 9.2813 9.8233 9.8235 9.9363 9.9392 10.3270 10.3293 10.4142 10.4148 k =-0.2812 0.1625 0.0000 ( 4674 PWs) bands (ev): -20.9927 -20.9927 -20.8827 -20.8827 -20.0503 -20.0503 -20.0463 -20.0463 -6.0464 -6.0462 -5.7102 -5.7102 -5.2877 -5.2846 -5.0581 -5.0569 -4.9309 -4.9294 -4.7880 -4.7841 -4.6075 -4.6057 -4.5748 -4.5743 -4.2042 -4.2029 -4.1194 -4.1188 -4.0201 -4.0180 -3.9056 -3.9053 -2.6045 -2.6041 -2.5693 -2.5678 4.8383 4.8388 4.9533 4.9561 5.4320 5.4324 5.4845 5.4845 5.7346 5.7356 6.1748 6.1749 9.2628 9.2642 9.8595 9.8596 9.9810 9.9840 10.3455 10.3466 10.4262 10.4265 k =-0.2969 0.1715-0.0000 ( 4672 PWs) bands (ev): -20.9923 -20.9923 -20.8827 -20.8827 -20.0506 -20.0506 -20.0464 -20.0464 -6.0482 -6.0480 -5.7120 -5.7119 -5.2997 -5.2969 -5.0615 -5.0605 -4.9410 -4.9396 -4.7885 -4.7851 -4.5959 -4.5946 -4.5765 -4.5760 -4.2174 -4.2160 -4.1168 -4.1162 -4.0158 -4.0138 -3.9054 -3.9051 -2.5769 -2.5763 -2.5568 -2.5552 4.8124 4.8129 4.9674 4.9702 5.4478 5.4479 5.5115 5.5115 5.7302 5.7314 6.1514 6.1515 9.2390 9.2402 9.8961 9.8963 10.0287 10.0320 10.3461 10.3462 10.4369 10.4371 k =-0.3125 0.1805-0.0000 ( 4676 PWs) bands (ev): -20.9920 -20.9920 -20.8826 -20.8826 -20.0508 -20.0508 -20.0464 -20.0464 -6.0500 -6.0498 -5.7138 -5.7137 -5.3111 -5.3086 -5.0649 -5.0640 -4.9506 -4.9493 -4.7893 -4.7863 -4.5845 -4.5837 -4.5782 -4.5775 -4.2298 -4.2283 -4.1140 -4.1134 -4.0124 -4.0103 -3.9046 -3.9043 -2.5518 -2.5511 -2.5438 -2.5421 4.7835 4.7840 4.9863 4.9889 5.4623 5.4623 5.5391 5.5392 5.7265 5.7279 6.1289 6.1291 9.2096 9.2108 9.9331 9.9332 10.0790 10.0828 10.3300 10.3313 10.4471 10.4473 k =-0.3281 0.1896 0.0000 ( 4674 PWs) bands (ev): -20.9916 -20.9916 -20.8826 -20.8826 -20.0510 -20.0510 -20.0465 -20.0465 -6.0517 -6.0515 -5.7156 -5.7156 -5.3218 -5.3195 -5.0682 -5.0674 -4.9597 -4.9585 -4.7902 -4.7876 -4.5797 -4.5795 -4.5734 -4.5724 -4.2414 -4.2399 -4.1110 -4.1104 -4.0096 -4.0077 -3.9034 -3.9031 -2.5350 -2.5346 -2.5240 -2.5234 4.7545 4.7549 5.0071 5.0095 5.4750 5.4753 5.5673 5.5674 5.7238 5.7253 6.1072 6.1074 9.1759 9.1770 9.9699 9.9701 10.1313 10.1363 10.3021 10.3051 10.4575 10.4575 k =-0.3438 0.1986-0.0000 ( 4670 PWs) bands (ev): -20.9913 -20.9913 -20.8825 -20.8825 -20.0512 -20.0512 -20.0465 -20.0465 -6.0533 -6.0531 -5.7174 -5.7173 -5.3317 -5.3297 -5.0712 -5.0705 -4.9683 -4.9672 -4.7913 -4.7890 -4.5811 -4.5809 -4.5627 -4.5622 -4.2521 -4.2506 -4.1078 -4.1072 -4.0076 -4.0058 -3.9017 -3.9015 -2.5239 -2.5231 -2.5017 -2.5015 4.7266 4.7269 5.0286 5.0308 5.4858 5.4864 5.5959 5.5960 5.7222 5.7239 6.0862 6.0863 9.1390 9.1400 10.0062 10.0064 10.1819 10.1906 10.2687 10.2757 10.4680 10.4680 k =-0.3594 0.2076-0.0000 ( 4670 PWs) bands (ev): -20.9910 -20.9910 -20.8825 -20.8825 -20.0514 -20.0514 -20.0466 -20.0466 -6.0548 -6.0546 -5.7191 -5.7191 -5.3408 -5.3391 -5.0740 -5.0735 -4.9762 -4.9753 -4.7924 -4.7904 -4.5825 -4.5822 -4.5526 -4.5523 -4.2620 -4.2605 -4.1046 -4.1041 -4.0063 -4.0046 -3.8997 -3.8996 -2.5139 -2.5131 -2.4810 -2.4809 4.7004 4.7007 5.0501 5.0521 5.4944 5.4951 5.6247 5.6247 5.7220 5.7237 6.0656 6.0658 9.1000 9.1009 10.0414 10.0417 10.2010 10.2111 10.2685 10.2772 10.4784 10.4785 k =-0.3750 0.2166-0.0000 ( 4662 PWs) bands (ev): -20.9907 -20.9907 -20.8825 -20.8825 -20.0515 -20.0515 -20.0466 -20.0466 -6.0562 -6.0560 -5.7208 -5.7207 -5.3490 -5.3476 -5.0766 -5.0761 -4.9835 -4.9827 -4.7935 -4.7918 -4.5837 -4.5835 -4.5432 -4.5431 -4.2710 -4.2695 -4.1015 -4.1010 -4.0055 -4.0039 -3.8975 -3.8974 -2.5048 -2.5040 -2.4622 -2.4622 4.6763 4.6765 5.0712 5.0730 5.5005 5.5013 5.6536 5.6536 5.7232 5.7249 6.0453 6.0455 9.0603 9.0611 10.0751 10.0755 10.1708 10.1752 10.3271 10.3302 10.4888 10.4889 k =-0.3906 0.2257-0.0000 ( 4658 PWs) bands (ev): -20.9904 -20.9904 -20.8825 -20.8825 -20.0517 -20.0517 -20.0466 -20.0466 -6.0574 -6.0573 -5.7223 -5.7223 -5.3564 -5.3552 -5.0789 -5.0784 -4.9901 -4.9894 -4.7945 -4.7930 -4.5848 -4.5846 -4.5346 -4.5346 -4.2790 -4.2777 -4.0984 -4.0979 -4.0051 -4.0038 -3.8952 -3.8952 -2.4966 -2.4959 -2.4455 -2.4454 4.6545 4.6547 5.0914 5.0931 5.5042 5.5050 5.6823 5.6823 5.7258 5.7275 6.0252 6.0253 9.0211 9.0218 10.1056 10.1069 10.1328 10.1363 10.3943 10.3958 10.4989 10.4992 k =-0.4062 0.2347 0.0000 ( 4654 PWs) bands (ev): -20.9902 -20.9902 -20.8824 -20.8824 -20.0518 -20.0518 -20.0467 -20.0467 -6.0585 -6.0584 -5.7238 -5.7237 -5.3629 -5.3618 -5.0808 -5.0804 -4.9960 -4.9954 -4.7953 -4.7941 -4.5858 -4.5857 -4.5270 -4.5269 -4.2861 -4.2849 -4.0956 -4.0951 -4.0051 -4.0039 -3.8930 -3.8930 -2.4895 -2.4889 -2.4308 -2.4308 4.6352 4.6354 5.1105 5.1119 5.5056 5.5064 5.7106 5.7107 5.7297 5.7311 6.0049 6.0051 8.9838 8.9844 10.0941 10.0947 10.1374 10.1381 10.4634 10.4645 10.5100 10.5105 k =-0.4219 0.2437-0.0000 ( 4664 PWs) bands (ev): -20.9900 -20.9900 -20.8824 -20.8824 -20.0519 -20.0519 -20.0467 -20.0467 -6.0595 -6.0593 -5.7250 -5.7250 -5.3684 -5.3676 -5.0824 -5.0821 -5.0011 -5.0007 -4.7961 -4.7951 -4.5867 -4.5866 -4.5203 -4.5201 -4.2923 -4.2911 -4.0930 -4.0926 -4.0054 -4.0043 -3.8909 -3.8909 -2.4834 -2.4829 -2.4183 -2.4183 4.6187 4.6188 5.1278 5.1290 5.5053 5.5060 5.7328 5.7344 5.7398 5.7401 5.9844 5.9846 8.9498 8.9503 10.0604 10.0611 10.1632 10.1635 10.5092 10.5099 10.5459 10.5464 k =-0.4375 0.2528-0.0000 ( 4668 PWs) bands (ev): -20.9899 -20.9899 -20.8824 -20.8824 -20.0521 -20.0521 -20.0467 -20.0467 -6.0603 -6.0602 -5.7261 -5.7261 -5.3729 -5.3723 -5.0837 -5.0834 -5.0054 -5.0050 -4.7968 -4.7960 -4.5874 -4.5873 -4.5146 -4.5145 -4.2974 -4.2964 -4.0907 -4.0904 -4.0057 -4.0049 -3.8891 -3.8891 -2.4784 -2.4780 -2.4080 -2.4080 4.6049 4.6050 5.1429 5.1439 5.5038 5.5043 5.7382 5.7394 5.7667 5.7668 5.9636 5.9637 8.9202 8.9206 10.0314 10.0319 10.1856 10.1857 10.5198 10.5200 10.6162 10.6165 k =-0.4531 0.2618-0.0000 ( 4672 PWs) bands (ev): -20.9897 -20.9897 -20.8824 -20.8824 -20.0521 -20.0521 -20.0468 -20.0468 -6.0609 -6.0608 -5.7270 -5.7270 -5.3765 -5.3760 -5.0847 -5.0845 -5.0087 -5.0085 -4.7972 -4.7966 -4.5879 -4.5879 -4.5101 -4.5100 -4.3013 -4.3006 -4.0888 -4.0886 -4.0060 -4.0054 -3.8876 -3.8876 -2.4745 -2.4741 -2.3999 -2.3999 4.5942 4.5942 5.1555 5.1562 5.5017 5.5020 5.7426 5.7435 5.7934 5.7936 5.9422 5.9424 8.8960 8.8963 10.0080 10.0084 10.2036 10.2037 10.5262 10.5263 10.6863 10.6866 k =-0.4688 0.2708-0.0000 ( 4680 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0468 -20.0468 -6.0613 -6.0613 -5.7276 -5.7276 -5.3790 -5.3787 -5.0854 -5.0852 -5.0112 -5.0110 -4.7976 -4.7972 -4.5883 -4.5883 -4.5068 -4.5067 -4.3042 -4.3037 -4.0874 -4.0873 -4.0063 -4.0059 -3.8865 -3.8865 -2.4716 -2.4714 -2.3941 -2.3941 4.5864 4.5864 5.1649 5.1654 5.4996 5.4999 5.7461 5.7467 5.8192 5.8193 5.9205 5.9207 8.8781 8.8784 9.9910 9.9912 10.2169 10.2170 10.5307 10.5307 10.7489 10.7491 k =-0.4844 0.2798-0.0000 ( 4668 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0468 -20.0468 -6.0616 -6.0615 -5.7280 -5.7280 -5.3805 -5.3803 -5.0857 -5.0856 -5.0126 -5.0126 -4.7977 -4.7975 -4.5886 -4.5885 -4.5048 -4.5047 -4.3058 -4.3056 -4.0866 -4.0865 -4.0065 -4.0062 -3.8858 -3.8858 -2.4699 -2.4698 -2.3907 -2.3907 4.5817 4.5818 5.1708 5.1710 5.4982 5.4983 5.7484 5.7487 5.8431 5.8432 5.8991 5.8992 8.8672 8.8673 9.9806 9.9807 10.2251 10.2251 10.5334 10.5334 10.7951 10.7953 k =-0.5000 0.2889-0.0000 ( 4668 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0468 -20.0468 -6.0616 -6.0616 -5.7281 -5.7281 -5.3809 -5.3809 -5.0858 -5.0858 -5.0131 -5.0131 -4.7977 -4.7977 -4.5887 -4.5887 -4.5041 -4.5041 -4.3063 -4.3063 -4.0862 -4.0862 -4.0064 -4.0064 -3.8856 -3.8856 -2.4693 -2.4693 -2.3895 -2.3895 4.5802 4.5802 5.1729 5.1729 5.4977 5.4977 5.7493 5.7493 5.8578 5.8578 5.8854 5.8854 8.8635 8.8635 9.9772 9.9772 10.2278 10.2278 10.5343 10.5343 10.8128 10.8128 k =-0.5000 0.2889-0.0000 ( 4668 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0468 -20.0468 -6.0616 -6.0616 -5.7281 -5.7281 -5.3809 -5.3809 -5.0858 -5.0858 -5.0131 -5.0131 -4.7977 -4.7977 -4.5887 -4.5887 -4.5041 -4.5041 -4.3063 -4.3063 -4.0862 -4.0862 -4.0064 -4.0064 -3.8856 -3.8856 -2.4693 -2.4693 -2.3895 -2.3895 4.5802 4.5802 5.1729 5.1729 5.4977 5.4977 5.7493 5.7493 5.8578 5.8578 5.8854 5.8854 8.8635 8.8635 9.9772 9.9772 10.2278 10.2278 10.5343 10.5343 10.8128 10.8128 k =-0.4912 0.3040-0.0000 ( 4666 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0468 -20.0468 -6.0615 -6.0615 -5.7283 -5.7283 -5.3811 -5.3810 -5.0901 -5.0901 -5.0087 -5.0083 -4.7980 -4.7978 -4.5893 -4.5890 -4.5045 -4.5042 -4.3057 -4.3052 -4.0864 -4.0862 -4.0063 -4.0060 -3.8862 -3.8858 -2.4693 -2.4691 -2.3893 -2.3892 4.5816 4.5816 5.1709 5.1710 5.4975 5.4979 5.7470 5.7471 5.8564 5.8569 5.8899 5.8900 8.8655 8.8656 9.9385 9.9401 10.2670 10.2699 10.5354 10.5366 10.8096 10.8098 k =-0.4825 0.3192-0.0000 ( 4684 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0469 -20.0469 -6.0613 -6.0612 -5.7290 -5.7289 -5.3815 -5.3814 -5.1006 -5.1005 -4.9974 -4.9966 -4.7987 -4.7984 -4.5908 -4.5902 -4.5054 -4.5047 -4.3034 -4.3024 -4.0868 -4.0863 -4.0055 -4.0049 -3.8879 -3.8871 -2.4691 -2.4687 -2.3887 -2.3885 4.5859 4.5860 5.1654 5.1656 5.4970 5.4979 5.7412 5.7414 5.8528 5.8538 5.9026 5.9027 8.8714 8.8715 9.8600 9.8619 10.3522 10.3575 10.5396 10.5428 10.8001 10.8004 k =-0.4737 0.3344-0.0000 ( 4686 PWs) bands (ev): -20.9895 -20.9895 -20.8824 -20.8824 -20.0522 -20.0522 -20.0469 -20.0469 -6.0608 -6.0608 -5.7300 -5.7300 -5.3822 -5.3821 -5.1139 -5.1136 -4.9826 -4.9815 -4.7998 -4.7993 -4.5932 -4.5922 -4.5067 -4.5057 -4.2995 -4.2981 -4.0873 -4.0865 -4.0042 -4.0033 -3.8904 -3.8892 -2.4688 -2.4682 -2.3877 -2.3874 4.5929 4.5931 5.1566 5.1569 5.4961 5.4973 5.7336 5.7339 5.8473 5.8487 5.9215 5.9216 8.8809 8.8811 9.7719 9.7737 10.4498 10.4602 10.5467 10.5550 10.7843 10.7848 k =-0.4649 0.3496-0.0000 ( 4690 PWs) bands (ev): -20.9895 -20.9895 -20.8824 -20.8824 -20.0521 -20.0521 -20.0470 -20.0470 -6.0602 -6.0601 -5.7314 -5.7313 -5.3832 -5.3830 -5.1281 -5.1276 -4.9663 -4.9649 -4.8013 -4.8005 -4.5962 -4.5950 -4.5084 -4.5070 -4.2942 -4.2924 -4.0879 -4.0868 -4.0023 -4.0011 -3.8938 -3.8923 -2.4683 -2.4675 -2.3862 -2.3858 4.6027 4.6029 5.1453 5.1456 5.4941 5.4958 5.7255 5.7260 5.8403 5.8420 5.9447 5.9449 8.8939 8.8941 9.6830 9.6846 10.5299 10.5564 10.5681 10.5929 10.7630 10.7639 k =-0.4562 0.3647-0.0000 ( 4686 PWs) bands (ev): -20.9894 -20.9894 -20.8824 -20.8824 -20.0521 -20.0521 -20.0471 -20.0471 -6.0594 -6.0594 -5.7332 -5.7331 -5.3845 -5.3842 -5.1423 -5.1416 -4.9494 -4.9477 -4.8029 -4.8020 -4.5999 -4.5983 -4.5105 -4.5087 -4.2876 -4.2857 -4.0884 -4.0871 -4.0000 -3.9986 -3.8979 -3.8960 -2.4676 -2.4666 -2.3844 -2.3839 4.6150 4.6153 5.1320 5.1323 5.4905 5.4925 5.7179 5.7186 5.8322 5.8344 5.9710 5.9711 8.9098 8.9100 9.5961 9.5975 10.5582 10.5678 10.6702 10.6797 10.7439 10.7466 k =-0.4474 0.3799-0.0000 ( 4696 PWs) bands (ev): -20.9894 -20.9894 -20.8824 -20.8824 -20.0520 -20.0520 -20.0472 -20.0472 -6.0585 -6.0584 -5.7352 -5.7351 -5.3860 -5.3857 -5.1559 -5.1551 -4.9325 -4.9305 -4.8047 -4.8036 -4.6040 -4.6020 -4.5130 -4.5108 -4.2802 -4.2780 -4.0890 -4.0875 -3.9974 -3.9957 -3.9028 -3.9006 -2.4668 -2.4656 -2.3822 -2.3817 4.6296 4.6300 5.1175 5.1179 5.4846 5.4871 5.7111 5.7121 5.8238 5.8263 5.9992 5.9993 8.9280 8.9282 9.5126 9.5139 10.5736 10.5799 10.6880 10.6915 10.8111 10.8112 k =-0.4386 0.3951-0.0000 ( 4692 PWs) bands (ev): -20.9893 -20.9893 -20.8824 -20.8824 -20.0519 -20.0519 -20.0474 -20.0474 -6.0575 -6.0574 -5.7375 -5.7373 -5.3879 -5.3875 -5.1688 -5.1678 -4.9161 -4.9137 -4.8065 -4.8051 -4.6083 -4.6059 -4.5158 -4.5131 -4.2720 -4.2697 -4.0896 -4.0878 -3.9944 -3.9925 -3.9082 -3.9057 -2.4658 -2.4645 -2.3797 -2.3792 4.6463 4.6468 5.1026 5.1030 5.4761 5.4788 5.7054 5.7066 5.8156 5.8184 6.0285 6.0286 8.9480 8.9482 9.4333 9.4344 10.5843 10.5898 10.6591 10.6617 10.9223 10.9227 k =-0.4299 0.4103-0.0000 ( 4692 PWs) bands (ev): -20.9892 -20.9892 -20.8824 -20.8824 -20.0518 -20.0518 -20.0475 -20.0475 -6.0564 -6.0563 -5.7399 -5.7397 -5.3901 -5.3896 -5.1808 -5.1795 -4.9005 -4.8978 -4.8081 -4.8065 -4.6128 -4.6100 -4.5187 -4.5157 -4.2634 -4.2611 -4.0900 -4.0881 -3.9914 -3.9893 -3.9141 -3.9113 -2.4646 -2.4633 -2.3770 -2.3765 4.6647 4.6653 5.0879 5.0883 5.4645 5.4675 5.7006 5.7020 5.8084 5.8114 6.0582 6.0582 8.9689 8.9692 9.3586 9.3596 10.5825 10.5869 10.6375 10.6395 11.0342 11.0362 k =-0.4211 0.4254-0.0000 ( 4700 PWs) bands (ev): -20.9892 -20.9892 -20.8824 -20.8824 -20.0517 -20.0517 -20.0477 -20.0477 -6.0553 -6.0552 -5.7425 -5.7422 -5.3925 -5.3920 -5.1916 -5.1902 -4.8861 -4.8831 -4.8092 -4.8073 -4.6172 -4.6140 -4.5219 -4.5184 -4.2546 -4.2525 -4.0903 -4.0882 -3.9882 -3.9860 -3.9202 -3.9173 -2.4634 -2.4620 -2.3741 -2.3736 4.6845 4.6852 5.0740 5.0743 5.4499 5.4530 5.6967 5.6982 5.8024 5.8057 6.0876 6.0877 8.9901 8.9903 9.2891 9.2900 10.5588 10.5612 10.6367 10.6369 11.0966 11.0994 k =-0.4123 0.4406-0.0000 ( 4700 PWs) bands (ev): -20.9891 -20.9891 -20.8824 -20.8824 -20.0515 -20.0515 -20.0479 -20.0479 -6.0541 -6.0540 -5.7450 -5.7447 -5.3951 -5.3946 -5.2013 -5.1998 -4.8736 -4.8702 -4.8094 -4.8072 -4.6216 -4.6180 -4.5250 -4.5212 -4.2458 -4.2440 -4.0904 -4.0882 -3.9851 -3.9827 -3.9266 -3.9234 -2.4621 -2.4606 -2.3711 -2.3706 4.7050 4.7059 5.0615 5.0617 5.4324 5.4356 5.6934 5.6950 5.7981 5.8015 6.1161 6.1163 9.0106 9.0108 9.2251 9.2259 10.5269 10.5284 10.6414 10.6418 11.1061 11.1078 k =-0.4036 0.4558-0.0000 ( 4716 PWs) bands (ev): -20.9890 -20.9890 -20.8824 -20.8824 -20.0514 -20.0514 -20.0482 -20.0482 -6.0530 -6.0529 -5.7476 -5.7471 -5.3979 -5.3974 -5.2098 -5.2082 -4.8633 -4.8597 -4.8081 -4.8058 -4.6257 -4.6218 -4.5282 -4.5239 -4.2374 -4.2359 -4.0903 -4.0882 -3.9821 -3.9796 -3.9329 -3.9296 -2.4606 -2.4592 -2.3681 -2.3676 4.7258 4.7268 5.0509 5.0511 5.4125 5.4156 5.6906 5.6923 5.7955 5.7990 6.1432 6.1434 9.0296 9.0298 9.1670 9.1676 10.4963 10.4975 10.6438 10.6445 11.1184 11.1198 k =-0.3948 0.4709-0.0000 ( 4716 PWs) bands (ev): -20.9890 -20.9890 -20.8824 -20.8824 -20.0512 -20.0512 -20.0484 -20.0484 -6.0519 -6.0519 -5.7500 -5.7495 -5.4008 -5.4002 -5.2171 -5.2154 -4.8559 -4.8523 -4.8049 -4.8027 -4.6296 -4.6253 -4.5312 -4.5266 -4.2295 -4.2284 -4.0900 -4.0879 -3.9792 -3.9767 -3.9389 -3.9356 -2.4592 -2.4577 -2.3651 -2.3647 4.7459 4.7472 5.0428 5.0428 5.3908 5.3937 5.6883 5.6899 5.7943 5.7979 6.1683 6.1687 9.0463 9.0464 9.1153 9.1158 10.4704 10.4714 10.6414 10.6421 11.1368 11.1381 k =-0.3860 0.4861-0.0000 ( 4716 PWs) bands (ev): -20.9889 -20.9889 -20.8824 -20.8824 -20.0511 -20.0511 -20.0486 -20.0486 -6.0510 -6.0509 -5.7523 -5.7517 -5.4036 -5.4031 -5.2232 -5.2215 -4.8512 -4.8480 -4.7999 -4.7981 -4.6331 -4.6285 -4.5339 -4.5290 -4.2222 -4.2218 -4.0896 -4.0876 -3.9766 -3.9740 -3.9447 -3.9413 -2.4578 -2.4562 -2.3623 -2.3618 4.7647 4.7663 5.0373 5.0376 5.3681 5.3709 5.6864 5.6878 5.7942 5.7980 6.1911 6.1916 9.0571 9.0573 9.0732 9.0733 10.4509 10.4518 10.6333 10.6340 11.1622 11.1634 k =-0.3773 0.5013-0.0000 ( 4716 PWs) bands (ev): -20.9888 -20.9888 -20.8824 -20.8824 -20.0509 -20.0509 -20.0488 -20.0488 -6.0501 -6.0500 -5.7544 -5.7537 -5.4063 -5.4058 -5.2282 -5.2265 -4.8487 -4.8458 -4.7941 -4.7927 -4.6362 -4.6313 -4.5363 -4.5311 -4.2161 -4.2159 -4.0890 -4.0872 -3.9742 -3.9715 -3.9498 -3.9465 -2.4564 -2.4549 -2.3596 -2.3592 4.7813 4.7832 5.0349 5.0354 5.3455 5.3480 5.6848 5.6860 5.7949 5.7988 6.2111 6.2116 9.0286 9.0290 9.0738 9.0739 10.4387 10.4397 10.6198 10.6205 11.1945 11.1956 k =-0.3685 0.5165-0.0000 ( 4716 PWs) bands (ev): -20.9888 -20.9888 -20.8824 -20.8824 -20.0507 -20.0507 -20.0491 -20.0491 -6.0493 -6.0493 -5.7562 -5.7554 -5.4088 -5.4083 -5.2321 -5.2305 -4.8476 -4.8450 -4.7883 -4.7872 -4.6388 -4.6337 -4.5383 -4.5329 -4.2115 -4.2105 -4.0883 -4.0868 -3.9720 -3.9694 -3.9544 -3.9510 -2.4551 -2.4536 -2.3572 -2.3569 4.7951 4.7973 5.0354 5.0362 5.3241 5.3263 5.6837 5.6846 5.7960 5.8000 6.2279 6.2285 8.9970 8.9973 9.0814 9.0815 10.4343 10.4352 10.6020 10.6027 11.2327 11.2338 k =-0.3597 0.5316-0.0000 ( 4708 PWs) bands (ev): -20.9887 -20.9887 -20.8823 -20.8823 -20.0505 -20.0505 -20.0493 -20.0493 -6.0487 -6.0487 -5.7576 -5.7567 -5.4108 -5.4104 -5.2350 -5.2335 -4.8473 -4.8449 -4.7834 -4.7824 -4.6408 -4.6356 -4.5398 -4.5343 -4.2080 -4.2063 -4.0877 -4.0865 -3.9702 -3.9676 -3.9581 -3.9548 -2.4539 -2.4525 -2.3552 -2.3549 4.8055 4.8080 5.0381 5.0391 5.3053 5.3071 5.6829 5.6836 5.7971 5.8012 6.2412 6.2419 8.9720 8.9722 9.0865 9.0866 10.4375 10.4385 10.5813 10.5819 11.2755 11.2765 k =-0.3510 0.5468-0.0000 ( 4712 PWs) bands (ev): -20.9887 -20.9887 -20.8823 -20.8823 -20.0503 -20.0503 -20.0495 -20.0495 -6.0483 -6.0483 -5.7587 -5.7577 -5.4124 -5.4120 -5.2369 -5.2356 -4.8473 -4.8450 -4.7799 -4.7788 -4.6423 -4.6370 -4.5409 -4.5352 -4.2057 -4.2032 -4.0871 -4.0862 -3.9685 -3.9661 -3.9610 -3.9577 -2.4530 -2.4516 -2.3536 -2.3534 4.8127 4.8154 5.0418 5.0428 5.2904 5.2919 5.6825 5.6829 5.7981 5.8023 6.2508 6.2515 8.9541 8.9542 9.0892 9.0893 10.4474 10.4485 10.5590 10.5596 11.3210 11.3220 k =-0.3422 0.5620-0.0000 ( 4720 PWs) bands (ev): -20.9887 -20.9887 -20.8823 -20.8823 -20.0501 -20.0501 -20.0497 -20.0497 -6.0481 -6.0481 -5.7594 -5.7583 -5.4134 -5.4131 -5.2381 -5.2369 -4.8474 -4.8451 -4.7778 -4.7765 -4.6432 -4.6379 -4.5414 -4.5358 -4.2046 -4.2012 -4.0867 -4.0861 -3.9671 -3.9651 -3.9631 -3.9596 -2.4523 -2.4510 -2.3526 -2.3524 4.8168 4.8196 5.0449 5.0458 5.2811 5.2820 5.6824 5.6825 5.7987 5.8029 6.2565 6.2574 8.9434 8.9434 9.0902 9.0903 10.4615 10.4628 10.5379 10.5383 11.3665 11.3674 k =-0.3334 0.5772-0.0000 ( 4724 PWs) bands (ev): -20.9886 -20.9886 -20.8824 -20.8824 -20.0500 -20.0500 -20.0499 -20.0499 -6.0480 -6.0480 -5.7596 -5.7585 -5.4137 -5.4135 -5.2384 -5.2375 -4.8476 -4.8450 -4.7773 -4.7756 -4.6435 -4.6382 -4.5416 -4.5360 -4.2044 -4.2002 -4.0865 -4.0862 -3.9659 -3.9649 -3.9644 -3.9603 -2.4521 -2.4507 -2.3522 -2.3521 4.8182 4.8210 5.0462 5.0469 5.2780 5.2784 5.6823 5.6824 5.7989 5.8031 6.2584 6.2593 8.9398 8.9399 9.0902 9.0904 10.4703 10.4721 10.5268 10.5268 11.4065 11.4083 k =-0.3334 0.5772-0.0000 ( 4724 PWs) bands (ev): -20.9886 -20.9886 -20.8824 -20.8824 -20.0500 -20.0500 -20.0499 -20.0499 -6.0480 -6.0480 -5.7596 -5.7585 -5.4137 -5.4135 -5.2384 -5.2375 -4.8476 -4.8450 -4.7773 -4.7756 -4.6435 -4.6382 -4.5416 -4.5360 -4.2044 -4.2002 -4.0865 -4.0862 -3.9659 -3.9649 -3.9644 -3.9603 -2.4521 -2.4507 -2.3522 -2.3521 4.8182 4.8210 5.0462 5.0469 5.2780 5.2784 5.6823 5.6824 5.7989 5.8031 6.2584 6.2593 8.9398 8.9399 9.0902 9.0904 10.4703 10.4721 10.5268 10.5268 11.4066 11.4092 k =-0.3334 0.5772 0.0175 ( 4720 PWs) bands (ev): -20.9885 -20.9885 -20.8825 -20.8825 -20.0499 -20.0499 -20.0499 -20.0499 -6.0472 -6.0472 -5.7596 -5.7585 -5.4140 -5.4137 -5.2386 -5.2376 -4.8474 -4.8448 -4.7778 -4.7761 -4.6438 -4.6386 -4.5417 -4.5360 -4.2049 -4.2008 -4.0862 -4.0859 -3.9660 -3.9649 -3.9645 -3.9605 -2.4514 -2.4500 -2.3516 -2.3515 4.8174 4.8203 5.0464 5.0470 5.2767 5.2771 5.6820 5.6822 5.7973 5.8015 6.2563 6.2572 8.9443 8.9443 9.0930 9.0931 10.4725 10.4742 10.5288 10.5288 11.4090 11.4111 k =-0.3334 0.5772 0.0350 ( 4712 PWs) bands (ev): -20.9882 -20.9882 -20.8828 -20.8828 -20.0499 -20.0499 -20.0499 -20.0499 -6.0448 -6.0448 -5.7597 -5.7585 -5.4147 -5.4144 -5.2391 -5.2381 -4.8467 -4.8442 -4.7793 -4.7776 -4.6448 -4.6396 -4.5419 -4.5363 -4.2065 -4.2024 -4.0852 -4.0849 -3.9662 -3.9650 -3.9649 -3.9610 -2.4494 -2.4481 -2.3498 -2.3497 4.8152 4.8180 5.0467 5.0474 5.2729 5.2733 5.6814 5.6815 5.7926 5.7967 6.2500 6.2509 8.9575 8.9575 9.1013 9.1014 10.4788 10.4806 10.5347 10.5347 11.4168 11.4184 k =-0.3334 0.5772 0.0524 ( 4700 PWs) bands (ev): -20.9875 -20.9875 -20.8835 -20.8835 -20.0499 -20.0499 -20.0499 -20.0499 -6.0409 -6.0409 -5.7598 -5.7586 -5.4158 -5.4156 -5.2399 -5.2390 -4.8457 -4.8432 -4.7819 -4.7802 -4.6464 -4.6414 -4.5422 -4.5366 -4.2089 -4.2049 -4.0838 -4.0834 -3.9668 -3.9652 -3.9651 -3.9618 -2.4462 -2.4448 -2.3468 -2.3467 4.8114 4.8142 5.0471 5.0477 5.2669 5.2672 5.6803 5.6804 5.7848 5.7889 6.2397 6.2406 8.9794 8.9794 9.1151 9.1152 10.4893 10.4910 10.5445 10.5445 11.4299 11.4307 k =-0.3334 0.5772 0.0699 ( 4698 PWs) bands (ev): -20.9867 -20.9867 -20.8843 -20.8843 -20.0499 -20.0499 -20.0499 -20.0499 -6.0355 -6.0354 -5.7599 -5.7587 -5.4174 -5.4172 -5.2410 -5.2402 -4.8442 -4.8417 -4.7857 -4.7839 -4.6486 -4.6437 -4.5427 -4.5372 -4.2121 -4.2083 -4.0819 -4.0815 -3.9677 -3.9656 -3.9653 -3.9630 -2.4417 -2.4404 -2.3427 -2.3426 4.8062 4.8089 5.0471 5.0478 5.2590 5.2594 5.6789 5.6791 5.7744 5.7784 6.2257 6.2265 9.0096 9.0097 9.1343 9.1344 10.5037 10.5054 10.5579 10.5579 11.4467 11.4470 k =-0.3334 0.5772 0.0874 ( 4694 PWs) bands (ev): -20.9857 -20.9857 -20.8854 -20.8854 -20.0499 -20.0499 -20.0499 -20.0499 -6.0286 -6.0285 -5.7600 -5.7587 -5.4194 -5.4191 -5.2424 -5.2417 -4.8424 -4.8399 -4.7906 -4.7888 -4.6512 -4.6466 -4.5433 -4.5379 -4.2158 -4.2123 -4.0796 -4.0792 -3.9690 -3.9659 -3.9655 -3.9644 -2.4361 -2.4348 -2.3375 -2.3374 4.7995 4.8022 5.0463 5.0470 5.2502 5.2505 5.6774 5.6775 5.7615 5.7654 6.2081 6.2090 9.0478 9.0478 9.1591 9.1592 10.5219 10.5236 10.5749 10.5749 11.4665 11.4667 k =-0.3334 0.5772 0.1049 ( 4700 PWs) bands (ev): -20.9843 -20.9843 -20.8868 -20.8868 -20.0499 -20.0499 -20.0499 -20.0499 -6.0204 -6.0203 -5.7601 -5.7588 -5.4217 -5.4215 -5.2441 -5.2435 -4.8403 -4.8378 -4.7967 -4.7950 -4.6542 -4.6498 -4.5440 -4.5387 -4.2200 -4.2167 -4.0772 -4.0768 -3.9706 -3.9664 -3.9662 -3.9656 -2.4295 -2.4282 -2.3314 -2.3313 4.7914 4.7941 5.0440 5.0446 5.2412 5.2415 5.6757 5.6759 5.7466 5.7505 6.1875 6.1883 9.0934 9.0934 9.1894 9.1894 10.5438 10.5454 10.5953 10.5954 11.4828 11.4832 k =-0.3334 0.5772 0.1224 ( 4695 PWs) bands (ev): -20.9828 -20.9828 -20.8884 -20.8884 -20.0499 -20.0499 -20.0499 -20.0499 -6.0109 -6.0107 -5.7602 -5.7588 -5.4244 -5.4241 -5.2461 -5.2456 -4.8378 -4.8354 -4.8041 -4.8024 -4.6573 -4.6532 -4.5449 -4.5397 -4.2245 -4.2213 -4.0747 -4.0743 -3.9723 -3.9682 -3.9665 -3.9659 -2.4219 -2.4208 -2.3245 -2.3244 4.7821 4.7846 5.0392 5.0398 5.2333 5.2335 5.6741 5.6743 5.7303 5.7339 6.1642 6.1650 9.1456 9.1456 9.2254 9.2254 10.5689 10.5706 10.6189 10.6190 11.4558 11.4558 k =-0.3334 0.5772 0.1398 ( 4688 PWs) bands (ev): -20.9811 -20.9811 -20.8902 -20.8902 -20.0499 -20.0499 -20.0499 -20.0499 -6.0002 -6.0000 -5.7603 -5.7588 -5.4272 -5.4270 -5.2483 -5.2479 -4.8350 -4.8327 -4.8128 -4.8111 -4.6605 -4.6567 -4.5459 -4.5409 -4.2290 -4.2261 -4.0722 -4.0718 -3.9743 -3.9704 -3.9668 -3.9662 -2.4136 -2.4125 -2.3168 -2.3167 4.7714 4.7739 5.0313 5.0318 5.2275 5.2277 5.6726 5.6728 5.7128 5.7163 6.1386 6.1394 9.2032 9.2033 9.2676 9.2676 10.5973 10.5989 10.6456 10.6457 11.4095 11.4096 k =-0.3334 0.5772 0.1573 ( 4680 PWs) bands (ev): -20.9791 -20.9791 -20.8922 -20.8922 -20.0499 -20.0499 -20.0499 -20.0499 -5.9886 -5.9883 -5.7603 -5.7587 -5.4303 -5.4301 -5.2507 -5.2505 -4.8321 -4.8299 -4.8227 -4.8210 -4.6636 -4.6601 -4.5470 -4.5422 -4.2335 -4.2308 -4.0698 -4.0694 -3.9763 -3.9726 -3.9670 -3.9665 -2.4047 -2.4037 -2.3086 -2.3085 4.7597 4.7621 5.0197 5.0202 5.2248 5.2249 5.6713 5.6715 5.6947 5.6980 6.1112 6.1120 9.2642 9.2644 9.3175 9.3176 10.6287 10.6303 10.6752 10.6753 11.3575 11.3576 k =-0.3334 0.5772 0.1748 ( 4698 PWs) bands (ev): -20.9769 -20.9769 -20.8944 -20.8944 -20.0499 -20.0499 -20.0499 -20.0499 -5.9761 -5.9758 -5.7602 -5.7586 -5.4335 -5.4334 -5.2534 -5.2532 -4.8339 -4.8323 -4.8289 -4.8267 -4.6667 -4.6635 -4.5482 -4.5436 -4.2380 -4.2355 -4.0675 -4.0671 -3.9785 -3.9750 -3.9674 -3.9668 -2.3954 -2.3944 -2.2999 -2.2998 4.7471 4.7493 5.0045 5.0049 5.2254 5.2254 5.6703 5.6704 5.6765 5.6796 6.0824 6.0831 9.3255 9.3257 9.3775 9.3776 10.6629 10.6644 10.7075 10.7076 11.3011 11.3012 k =-0.3334 0.5772 0.1923 ( 4692 PWs) bands (ev): -20.9746 -20.9746 -20.8969 -20.8969 -20.0499 -20.0499 -20.0499 -20.0499 -5.9630 -5.9626 -5.7600 -5.7583 -5.4368 -5.4366 -5.2562 -5.2561 -4.8460 -4.8445 -4.8256 -4.8235 -4.6696 -4.6667 -4.5496 -4.5452 -4.2422 -4.2399 -4.0653 -4.0649 -3.9807 -3.9773 -3.9676 -3.9671 -2.3858 -2.3848 -2.2910 -2.2909 4.7336 4.7357 4.9862 4.9866 5.2291 5.2292 5.6584 5.6613 5.6697 5.6698 6.0526 6.0533 9.3856 9.3858 9.4482 9.4483 10.6998 10.7013 10.7425 10.7427 11.2410 11.2411 k =-0.3334 0.5772 0.2098 ( 4690 PWs) bands (ev): -20.9721 -20.9721 -20.8995 -20.8995 -20.0499 -20.0499 -20.0499 -20.0499 -5.9495 -5.9490 -5.7596 -5.7578 -5.4401 -5.4399 -5.2592 -5.2591 -4.8590 -4.8575 -4.8223 -4.8203 -4.6722 -4.6696 -4.5510 -4.5468 -4.2461 -4.2441 -4.0633 -4.0629 -3.9828 -3.9797 -3.9679 -3.9674 -2.3761 -2.3752 -2.2820 -2.2819 4.7197 4.7216 4.9657 4.9660 5.2356 5.2356 5.6410 5.6437 5.6694 5.6696 6.0222 6.0229 9.4458 9.4461 9.5275 9.5277 10.7394 10.7408 10.7801 10.7803 11.1778 11.1779 k =-0.3334 0.5772 0.2272 ( 4688 PWs) bands (ev): -20.9694 -20.9694 -20.9022 -20.9022 -20.0499 -20.0499 -20.0499 -20.0499 -5.9359 -5.9352 -5.7590 -5.7571 -5.4433 -5.4432 -5.2624 -5.2621 -4.8725 -4.8712 -4.8189 -4.8170 -4.6745 -4.6722 -4.5524 -4.5486 -4.2497 -4.2479 -4.0614 -4.0611 -3.9849 -3.9820 -3.9681 -3.9676 -2.3664 -2.3657 -2.2731 -2.2730 4.7056 4.7073 4.9440 4.9442 5.2441 5.2442 5.6244 5.6269 5.6697 5.6698 5.9915 5.9922 9.5078 9.5080 9.6129 9.6130 10.7814 10.7828 10.8202 10.8204 11.1121 11.1122 k =-0.3334 0.5772 0.2447 ( 4689 PWs) bands (ev): -20.9665 -20.9665 -20.9052 -20.9052 -20.0499 -20.0499 -20.0499 -20.0499 -5.9223 -5.9216 -5.7582 -5.7562 -5.4465 -5.4463 -5.2656 -5.2652 -4.8863 -4.8852 -4.8155 -4.8138 -4.6766 -4.6746 -4.5539 -4.5503 -4.2530 -4.2515 -4.0598 -4.0595 -3.9869 -3.9843 -3.9684 -3.9679 -2.3571 -2.3564 -2.2644 -2.2643 4.6914 4.6930 4.9218 4.9220 5.2541 5.2543 5.6090 5.6113 5.6706 5.6707 5.9610 5.9617 9.5721 9.5723 9.7027 9.7029 10.8259 10.8273 10.8627 10.8630 11.0445 11.0446 k =-0.3334 0.5772 0.2622 ( 4690 PWs) bands (ev): -20.9635 -20.9635 -20.9082 -20.9082 -20.0499 -20.0499 -20.0499 -20.0499 -5.9093 -5.9084 -5.7570 -5.7550 -5.4494 -5.4493 -5.2689 -5.2684 -4.9000 -4.8990 -4.8123 -4.8107 -4.6785 -4.6767 -4.5554 -4.5521 -4.2560 -4.2546 -4.0584 -4.0581 -3.9887 -3.9864 -3.9685 -3.9681 -2.3482 -2.3476 -2.2561 -2.2561 4.6777 4.6791 4.9001 4.9002 5.2651 5.2653 5.5950 5.5970 5.6722 5.6722 5.9310 5.9316 9.6388 9.6390 9.7958 9.7959 10.8728 10.8741 10.9074 10.9079 10.9759 10.9762 k =-0.3334 0.5772 0.2797 ( 4692 PWs) bands (ev): -20.9604 -20.9604 -20.9114 -20.9114 -20.0499 -20.0499 -20.0499 -20.0499 -5.8969 -5.8960 -5.7555 -5.7535 -5.4522 -5.4521 -5.2721 -5.2715 -4.9133 -4.9125 -4.8092 -4.8077 -4.6800 -4.6785 -4.5568 -4.5539 -4.2586 -4.2574 -4.0571 -4.0569 -3.9904 -3.9884 -3.9687 -3.9683 -2.3399 -2.3393 -2.2484 -2.2483 4.6646 4.6658 4.8794 4.8795 5.2766 5.2768 5.5824 5.5842 5.6746 5.6746 5.9017 5.9023 9.7077 9.7078 9.8907 9.8908 10.9065 10.9069 10.9220 10.9234 10.9553 10.9555 k =-0.3334 0.5772 0.2972 ( 4686 PWs) bands (ev): -20.9571 -20.9571 -20.9147 -20.9147 -20.0499 -20.0499 -20.0499 -20.0499 -5.8857 -5.8847 -5.7537 -5.7517 -5.4546 -5.4545 -5.2752 -5.2746 -4.9258 -4.9251 -4.8064 -4.8051 -4.6813 -4.6800 -4.5581 -4.5556 -4.2608 -4.2598 -4.0561 -4.0559 -3.9919 -3.9901 -3.9688 -3.9684 -2.3324 -2.3319 -2.2414 -2.2413 4.6525 4.6536 4.8604 4.8605 5.2880 5.2882 5.5714 5.5730 5.6779 5.6779 5.8737 5.8742 9.7783 9.7785 9.9856 9.9858 10.8398 10.8400 10.9733 10.9745 11.0045 11.0046 k =-0.3334 0.5772 0.3146 ( 4684 PWs) bands (ev): -20.9538 -20.9538 -20.9181 -20.9181 -20.0499 -20.0499 -20.0498 -20.0498 -5.8758 -5.8749 -5.7516 -5.7497 -5.4568 -5.4567 -5.2781 -5.2775 -4.9371 -4.9366 -4.8038 -4.8027 -4.6824 -4.6813 -4.5593 -4.5571 -4.2627 -4.2619 -4.0552 -4.0551 -3.9932 -3.9917 -3.9689 -3.9686 -2.3257 -2.3253 -2.2352 -2.2351 4.6417 4.6426 4.8435 4.8436 5.2989 5.2990 5.5621 5.5634 5.6823 5.6823 5.8471 5.8476 9.8502 9.8503 10.0777 10.0779 10.7771 10.7773 11.0266 11.0279 11.0559 11.0561 k =-0.3334 0.5772 0.3321 ( 4674 PWs) bands (ev): -20.9503 -20.9503 -20.9216 -20.9216 -20.0499 -20.0499 -20.0498 -20.0498 -5.8676 -5.8667 -5.7493 -5.7476 -5.4586 -5.4586 -5.2807 -5.2801 -4.9469 -4.9465 -4.8016 -4.8007 -4.6832 -4.6824 -4.5602 -4.5585 -4.2642 -4.2635 -4.0545 -4.0544 -3.9942 -3.9930 -3.9689 -3.9687 -2.3201 -2.3198 -2.2299 -2.2299 4.6325 4.6332 4.8292 4.8293 5.3087 5.3089 5.5545 5.5555 5.6878 5.6879 5.8224 5.8228 9.9225 9.9226 10.1615 10.1617 10.7239 10.7242 11.0818 11.0830 11.1090 11.1092 k =-0.3334 0.5772 0.3496 ( 4674 PWs) bands (ev): -20.9468 -20.9468 -20.9252 -20.9252 -20.0499 -20.0499 -20.0498 -20.0498 -5.8611 -5.8603 -5.7470 -5.7457 -5.4601 -5.4600 -5.2828 -5.2823 -4.9549 -4.9546 -4.7998 -4.7991 -4.6839 -4.6833 -4.5610 -4.5597 -4.2653 -4.2648 -4.0539 -4.0539 -3.9950 -3.9941 -3.9690 -3.9688 -2.3156 -2.3154 -2.2257 -2.2257 4.6250 4.6256 4.8177 4.8178 5.3171 5.3172 5.5486 5.5493 5.6947 5.6948 5.8000 5.8004 9.9942 9.9943 10.2267 10.2269 10.6908 10.6910 11.0968 11.0972 11.1394 11.1406 k =-0.3334 0.5772 0.3671 ( 4683 PWs) bands (ev): -20.9432 -20.9432 -20.9288 -20.9288 -20.0499 -20.0499 -20.0498 -20.0498 -5.8564 -5.8558 -5.7451 -5.7441 -5.4611 -5.4611 -5.2844 -5.2841 -4.9608 -4.9606 -4.7984 -4.7980 -4.6843 -4.6839 -4.5615 -4.5606 -4.2661 -4.2658 -4.0535 -4.0535 -3.9956 -3.9949 -3.9690 -3.9689 -2.3123 -2.3122 -2.2227 -2.2227 4.6196 4.6200 4.8094 4.8094 5.3234 5.3234 5.5444 5.5449 5.7024 5.7026 5.7807 5.7811 10.0632 10.0633 10.2584 10.2586 10.6926 10.6929 10.9990 10.9994 11.1970 11.1982 k =-0.3334 0.5772 0.3846 ( 4689 PWs) bands (ev): -20.9396 -20.9396 -20.9324 -20.9324 -20.0499 -20.0499 -20.0499 -20.0499 -5.8535 -5.8532 -5.7437 -5.7432 -5.4617 -5.4617 -5.2854 -5.2852 -4.9644 -4.9643 -4.7976 -4.7973 -4.6845 -4.6843 -4.5617 -4.5613 -4.2666 -4.2664 -4.0533 -4.0533 -3.9958 -3.9955 -3.9690 -3.9689 -2.3103 -2.3102 -2.2208 -2.2208 4.6163 4.6165 4.8043 4.8043 5.3273 5.3274 5.5419 5.5421 5.7100 5.7101 5.7662 5.7664 10.1247 10.1248 10.2523 10.2525 10.7357 10.7360 10.9029 10.9032 11.2545 11.2556 k =-0.3334 0.5772 0.4020 ( 4690 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0499 -20.0499 -5.8524 -5.8524 -5.7430 -5.7430 -5.4620 -5.4620 -5.2857 -5.2857 -4.9656 -4.9656 -4.7972 -4.7972 -4.6845 -4.6845 -4.5617 -4.5617 -4.2667 -4.2667 -4.0532 -4.0532 -3.9958 -3.9958 -3.9690 -3.9690 -2.3096 -2.3096 -2.2202 -2.2202 4.6153 4.6153 4.8026 4.8026 5.3287 5.3287 5.5412 5.5412 5.7136 5.7136 5.7603 5.7603 10.1577 10.1577 10.2360 10.2360 10.7963 10.7963 10.8267 10.8267 11.2947 11.2947 k =-0.3334 0.5772 0.4020 ( 4690 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0499 -20.0499 -5.8524 -5.8524 -5.7430 -5.7430 -5.4620 -5.4620 -5.2857 -5.2857 -4.9656 -4.9656 -4.7972 -4.7972 -4.6845 -4.6845 -4.5617 -4.5617 -4.2667 -4.2667 -4.0532 -4.0532 -3.9958 -3.9958 -3.9690 -3.9690 -2.3096 -2.3096 -2.2202 -2.2202 4.6153 4.6153 4.8026 4.8026 5.3287 5.3287 5.5412 5.5412 5.7136 5.7136 5.7603 5.7603 10.1577 10.1577 10.2360 10.2360 10.7963 10.7963 10.8267 10.8267 11.2947 11.2947 k =-0.3422 0.5620 0.4020 ( 4688 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0498 -20.0498 -5.8522 -5.8522 -5.7432 -5.7432 -5.4613 -5.4613 -5.2856 -5.2856 -4.9657 -4.9657 -4.7981 -4.7981 -4.6840 -4.6840 -4.5617 -4.5617 -4.2666 -4.2666 -4.0553 -4.0553 -3.9940 -3.9940 -3.9687 -3.9687 -2.3098 -2.3098 -2.2207 -2.2207 4.6147 4.6147 4.8007 4.8007 5.3302 5.3302 5.5400 5.5400 5.7156 5.7156 5.7609 5.7609 10.1570 10.1570 10.2347 10.2347 10.7965 10.7965 10.8269 10.8269 11.2847 11.2847 k =-0.3510 0.5468 0.4020 ( 4680 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0498 -20.0498 -5.8515 -5.8515 -5.7436 -5.7436 -5.4595 -5.4595 -5.2853 -5.2853 -4.9659 -4.9659 -4.8008 -4.8008 -4.6823 -4.6823 -4.5617 -4.5617 -4.2665 -4.2665 -4.0611 -4.0611 -3.9892 -3.9892 -3.9680 -3.9680 -2.3102 -2.3102 -2.2219 -2.2219 4.6130 4.6130 4.7952 4.7952 5.3344 5.3344 5.5368 5.5368 5.7212 5.7212 5.7625 5.7625 10.1544 10.1544 10.2304 10.2304 10.7974 10.7974 10.8277 10.8277 11.2626 11.2626 k =-0.3597 0.5316 0.4020 ( 4680 PWs) bands (ev): -20.9360 -20.9360 -20.9360 -20.9360 -20.0499 -20.0499 -20.0498 -20.0498 -5.8503 -5.8503 -5.7442 -5.7442 -5.4564 -5.4564 -5.2849 -5.2849 -4.9662 -4.9662 -4.8054 -4.8054 -4.6794 -4.6794 -4.5617 -4.5617 -4.2662 -4.2662 -4.0693 -4.0693 -3.9827 -3.9827 -3.9668 -3.9668 -2.3108 -2.3108 -2.2238 -2.2238 4.6101 4.6101 4.7863 4.7863 5.3412 5.3412 5.5322 5.5322 5.7297 5.7297 5.7652 5.7652 10.1496 10.1496 10.2230 10.2230 10.7994 10.7994 10.8295 10.8295 11.2372 11.2373 k =-0.3685 0.5165 0.4020 ( 4684 PWs) bands (ev): -20.9361 -20.9361 -20.9361 -20.9361 -20.0498 -20.0498 -20.0498 -20.0498 -5.8487 -5.8487 -5.7452 -5.7452 -5.4523 -5.4523 -5.2845 -5.2845 -4.9667 -4.9667 -4.8116 -4.8116 -4.6754 -4.6754 -4.5618 -4.5618 -4.2658 -4.2658 -4.0789 -4.0789 -3.9755 -3.9755 -3.9652 -3.9652 -2.3115 -2.3115 -2.2263 -2.2263 4.6062 4.6062 4.7744 4.7744 5.3501 5.3501 5.5268 5.5268 5.7404 5.7404 5.7689 5.7689 10.1426 10.1426 10.2125 10.2125 10.8029 10.8029 10.8325 10.8325 11.2115 11.2115 k =-0.3773 0.5013 0.4020 ( 4688 PWs) bands (ev): -20.9361 -20.9361 -20.9361 -20.9361 -20.0498 -20.0498 -20.0498 -20.0498 -5.8466 -5.8466 -5.7465 -5.7465 -5.4470 -5.4470 -5.2841 -5.2841 -4.9674 -4.9674 -4.8195 -4.8195 -4.6705 -4.6705 -4.5619 -4.5619 -4.2653 -4.2653 -4.0893 -4.0893 -3.9682 -3.9682 -3.9631 -3.9631 -2.3122 -2.3122 -2.2294 -2.2294 4.6015 4.6015 4.7602 4.7602 5.3608 5.3608 5.5212 5.5212 5.7525 5.7525 5.7735 5.7735 10.1335 10.1335 10.1991 10.1991 10.8079 10.8079 10.8367 10.8367 11.1866 11.1866 k =-0.3860 0.4861 0.4020 ( 4676 PWs) bands (ev): -20.9361 -20.9361 -20.9361 -20.9361 -20.0498 -20.0498 -20.0497 -20.0497 -5.8442 -5.8442 -5.7481 -5.7481 -5.4407 -5.4407 -5.2837 -5.2837 -4.9682 -4.9682 -4.8285 -4.8285 -4.6649 -4.6649 -4.5621 -4.5621 -4.2645 -4.2645 -4.1001 -4.1001 -3.9614 -3.9614 -3.9603 -3.9603 -2.3129 -2.3129 -2.2330 -2.2330 4.5961 4.5961 4.7442 4.7442 5.3726 5.3726 5.5160 5.5160 5.7653 5.7653 5.7790 5.7790 10.1225 10.1225 10.1834 10.1834 10.8146 10.8146 10.8421 10.8421 11.1630 11.1630 k =-0.3948 0.4709 0.4020 ( 4668 PWs) bands (ev): -20.9362 -20.9362 -20.9362 -20.9362 -20.0497 -20.0497 -20.0497 -20.0497 -5.8413 -5.8413 -5.7500 -5.7500 -5.4335 -5.4335 -5.2834 -5.2834 -4.9690 -4.9690 -4.8386 -4.8386 -4.6587 -4.6587 -4.5623 -4.5623 -4.2635 -4.2635 -4.1111 -4.1111 -3.9581 -3.9581 -3.9540 -3.9540 -2.3134 -2.3134 -2.2370 -2.2370 4.5902 4.5902 4.7270 4.7270 5.3852 5.3852 5.5114 5.5114 5.7783 5.7783 5.7851 5.7851 10.1098 10.1098 10.1658 10.1658 10.8229 10.8229 10.8487 10.8487 11.1411 11.1411 k =-0.4036 0.4558 0.4020 ( 4668 PWs) bands (ev): -20.9362 -20.9362 -20.9362 -20.9362 -20.0497 -20.0497 -20.0497 -20.0497 -5.8382 -5.8382 -5.7522 -5.7522 -5.4255 -5.4255 -5.2834 -5.2834 -4.9699 -4.9699 -4.8494 -4.8494 -4.6521 -4.6521 -4.5626 -4.5626 -4.2623 -4.2623 -4.1222 -4.1222 -3.9550 -3.9550 -3.9477 -3.9477 -2.3137 -2.3137 -2.2414 -2.2414 4.5841 4.5841 4.7090 4.7090 5.3981 5.3981 5.5076 5.5076 5.7909 5.7909 5.7918 5.7918 10.0961 10.0961 10.1468 10.1468 10.8325 10.8325 10.8562 10.8562 11.1210 11.1210 k =-0.4123 0.4406 0.4020 ( 4666 PWs) bands (ev): -20.9363 -20.9363 -20.9363 -20.9363 -20.0497 -20.0497 -20.0496 -20.0496 -5.8347 -5.8347 -5.7546 -5.7546 -5.4167 -5.4167 -5.2836 -5.2836 -4.9707 -4.9707 -4.8608 -4.8608 -4.6454 -4.6454 -4.5631 -4.5631 -4.2608 -4.2608 -4.1332 -4.1332 -3.9518 -3.9518 -3.9421 -3.9421 -2.3138 -2.3138 -2.2461 -2.2461 4.5779 4.5779 4.6908 4.6908 5.4110 5.4110 5.5046 5.5046 5.7987 5.7987 5.8032 5.8032 10.0816 10.0816 10.1272 10.1272 10.8432 10.8432 10.8641 10.8641 11.1032 11.1032 k =-0.4211 0.4254 0.4020 ( 4674 PWs) bands (ev): -20.9363 -20.9363 -20.9363 -20.9363 -20.0496 -20.0496 -20.0496 -20.0496 -5.8310 -5.8310 -5.7574 -5.7574 -5.4074 -5.4074 -5.2841 -5.2841 -4.9715 -4.9715 -4.8724 -4.8724 -4.6385 -4.6385 -4.5638 -4.5638 -4.2589 -4.2589 -4.1440 -4.1440 -3.9484 -3.9484 -3.9371 -3.9371 -2.3136 -2.3136 -2.2510 -2.2510 4.5720 4.5720 4.6728 4.6728 5.4234 5.4234 5.5023 5.5023 5.8060 5.8060 5.8145 5.8145 10.0670 10.0670 10.1075 10.1075 10.8545 10.8545 10.8723 10.8723 11.0881 11.0881 k =-0.4299 0.4103 0.4020 ( 4674 PWs) bands (ev): -20.9364 -20.9364 -20.9364 -20.9364 -20.0496 -20.0496 -20.0496 -20.0496 -5.8271 -5.8271 -5.7604 -5.7604 -5.3975 -5.3975 -5.2851 -5.2851 -4.9721 -4.9721 -4.8841 -4.8841 -4.6317 -4.6317 -4.5648 -4.5648 -4.2567 -4.2567 -4.1546 -4.1546 -3.9450 -3.9450 -3.9327 -3.9327 -2.3130 -2.3130 -2.2560 -2.2560 4.5665 4.5665 4.6554 4.6554 5.4352 5.4352 5.5007 5.5007 5.8133 5.8133 5.8247 5.8247 10.0527 10.0527 10.0882 10.0882 10.8656 10.8656 10.8800 10.8800 11.0759 11.0759 k =-0.4386 0.3951 0.4020 ( 4678 PWs) bands (ev): -20.9364 -20.9364 -20.9364 -20.9364 -20.0496 -20.0496 -20.0496 -20.0496 -5.8229 -5.8229 -5.7636 -5.7636 -5.3873 -5.3873 -5.2866 -5.2866 -4.9724 -4.9724 -4.8956 -4.8956 -4.6249 -4.6249 -4.5660 -4.5660 -4.2541 -4.2541 -4.1647 -4.1647 -3.9415 -3.9415 -3.9291 -3.9291 -2.3121 -2.3121 -2.2612 -2.2612 4.5616 4.5616 4.6388 4.6388 5.4462 5.4462 5.4997 5.4997 5.8205 5.8205 5.8336 5.8336 10.0392 10.0392 10.0698 10.0698 10.8758 10.8758 10.8867 10.8867 11.0673 11.0673 k =-0.4474 0.3799 0.4020 ( 4688 PWs) bands (ev): -20.9364 -20.9364 -20.9364 -20.9364 -20.0496 -20.0496 -20.0495 -20.0495 -5.8186 -5.8186 -5.7671 -5.7671 -5.3769 -5.3769 -5.2888 -5.2888 -4.9723 -4.9723 -4.9068 -4.9068 -4.6184 -4.6184 -4.5676 -4.5676 -4.2510 -4.2510 -4.1745 -4.1745 -3.9382 -3.9382 -3.9262 -3.9262 -2.3108 -2.3108 -2.2664 -2.2664 4.5576 4.5576 4.6232 4.6232 5.4562 5.4562 5.4991 5.4991 5.8274 5.8274 5.8411 5.8411 10.0269 10.0269 10.0528 10.0528 10.8844 10.8844 10.8920 10.8920 11.0625 11.0625 k =-0.4562 0.3647 0.4020 ( 4680 PWs) bands (ev): -20.9365 -20.9365 -20.9365 -20.9365 -20.0495 -20.0495 -20.0495 -20.0495 -5.8142 -5.8142 -5.7708 -5.7708 -5.3665 -5.3665 -5.2917 -5.2917 -4.9717 -4.9717 -4.9174 -4.9174 -4.6120 -4.6120 -4.5695 -4.5695 -4.2475 -4.2475 -4.1838 -4.1838 -3.9349 -3.9349 -3.9241 -3.9241 -2.3091 -2.3091 -2.2715 -2.2715 4.5547 4.5547 4.6090 4.6090 5.4651 5.4651 5.4986 5.4986 5.8340 5.8340 5.8471 5.8471 10.0161 10.0161 10.0374 10.0374 10.8909 10.8909 10.8958 10.8958 11.0614 11.0614 k =-0.4649 0.3496 0.4020 ( 4680 PWs) bands (ev): -20.9365 -20.9365 -20.9365 -20.9365 -20.0495 -20.0495 -20.0495 -20.0495 -5.8097 -5.8097 -5.7747 -5.7747 -5.3562 -5.3562 -5.2955 -5.2955 -4.9705 -4.9705 -4.9273 -4.9273 -4.6059 -4.6059 -4.5718 -4.5718 -4.2435 -4.2435 -4.1926 -4.1926 -3.9319 -3.9319 -3.9226 -3.9226 -2.3070 -2.3070 -2.2765 -2.2765 4.5530 4.5530 4.5962 4.5962 5.4729 5.4729 5.4982 5.4982 5.8400 5.8400 5.8517 5.8517 10.0073 10.0073 10.0242 10.0242 10.8951 10.8951 10.8979 10.8979 11.0636 11.0636 k =-0.4737 0.3344 0.4020 ( 4676 PWs) bands (ev): -20.9365 -20.9365 -20.9365 -20.9365 -20.0495 -20.0495 -20.0495 -20.0495 -5.8052 -5.8052 -5.7787 -5.7787 -5.3462 -5.3462 -5.3001 -5.3001 -4.9685 -4.9685 -4.9363 -4.9363 -4.6002 -4.6002 -4.5745 -4.5745 -4.2391 -4.2391 -4.2009 -4.2009 -3.9292 -3.9292 -3.9218 -3.9218 -2.3045 -2.3045 -2.2814 -2.2814 4.5527 4.5527 4.5849 4.5849 5.4795 5.4795 5.4976 5.4976 5.8452 5.8452 5.8548 5.8548 10.0006 10.0006 10.0131 10.0131 10.8974 10.8974 10.8990 10.8990 11.0680 11.0680 k =-0.4825 0.3192 0.4020 ( 4684 PWs) bands (ev): -20.9365 -20.9365 -20.9365 -20.9365 -20.0495 -20.0495 -20.0495 -20.0495 -5.8006 -5.8006 -5.7829 -5.7829 -5.3367 -5.3367 -5.3057 -5.3057 -4.9658 -4.9658 -4.9443 -4.9443 -4.5949 -4.5949 -4.5777 -4.5777 -4.2341 -4.2341 -4.2087 -4.2087 -3.9267 -3.9267 -3.9217 -3.9217 -2.3015 -2.3015 -2.2860 -2.2860 4.5539 4.5539 4.5753 4.5753 5.4849 5.4849 5.4965 5.4965 5.8496 5.8496 5.8564 5.8564 9.9962 9.9962 10.0045 10.0045 10.8985 10.8985 10.8993 10.8993 11.0731 11.0731 k =-0.4912 0.3040 0.4020 ( 4688 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0495 -20.0495 -20.0495 -20.0495 -5.7961 -5.7961 -5.7872 -5.7872 -5.3277 -5.3277 -5.3121 -5.3121 -4.9620 -4.9620 -4.9513 -4.9513 -4.5900 -4.5900 -4.5814 -4.5814 -4.2286 -4.2286 -4.2159 -4.2159 -3.9247 -3.9247 -3.9222 -3.9222 -2.2982 -2.2982 -2.2904 -2.2904 4.5567 4.5567 4.5674 4.5674 5.4892 5.4892 5.4949 5.4949 5.8531 5.8531 5.8566 5.8566 9.9944 9.9944 9.9985 9.9985 10.8989 10.8989 10.8992 10.8992 11.0777 11.0777 k =-0.5000 0.2889 0.4020 ( 4684 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0495 -20.0495 -20.0495 -20.0495 -5.7916 -5.7916 -5.7916 -5.7916 -5.3195 -5.3195 -5.3195 -5.3195 -4.9572 -4.9572 -4.9572 -4.9572 -4.5854 -4.5854 -4.5854 -4.5854 -4.2225 -4.2225 -4.2225 -4.2225 -3.9232 -3.9232 -3.9232 -3.9232 -2.2945 -2.2945 -2.2945 -2.2945 4.5612 4.5612 4.5612 4.5612 5.4925 5.4925 5.4925 5.4925 5.8554 5.8554 5.8554 5.8554 9.9951 9.9951 9.9951 9.9951 10.8991 10.8991 10.8991 10.8991 11.0808 11.0808 k =-0.5000 0.2889 0.4020 ( 4684 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0495 -20.0495 -20.0495 -20.0495 -5.7916 -5.7916 -5.7916 -5.7916 -5.3195 -5.3195 -5.3195 -5.3195 -4.9572 -4.9572 -4.9572 -4.9572 -4.5854 -4.5854 -4.5854 -4.5854 -4.2225 -4.2225 -4.2225 -4.2225 -3.9232 -3.9232 -3.9232 -3.9232 -2.2945 -2.2945 -2.2945 -2.2945 4.5612 4.5612 4.5612 4.5612 5.4925 5.4925 5.4925 5.4925 5.8554 5.8554 5.8554 5.8554 9.9951 9.9951 9.9951 9.9951 10.8991 10.8991 10.8991 10.8991 11.0808 11.0808 k =-0.5000 0.2889 0.3846 ( 4682 PWs) bands (ev): -20.9402 -20.9402 -20.9329 -20.9329 -20.0496 -20.0496 -20.0493 -20.0493 -5.8032 -5.8032 -5.7812 -5.7812 -5.3300 -5.3300 -5.3081 -5.3081 -4.9698 -4.9698 -4.9435 -4.9435 -4.5920 -4.5920 -4.5790 -4.5790 -4.2278 -4.2278 -4.2170 -4.2170 -3.9260 -3.9260 -3.9205 -3.9205 -2.2979 -2.2979 -2.2923 -2.2923 4.5508 4.5508 4.5745 4.5745 5.4852 5.4852 5.5002 5.5002 5.8473 5.8473 5.8643 5.8643 9.9377 9.9377 10.0457 10.0457 10.8393 10.8393 10.9601 10.9601 11.0418 11.0418 k =-0.5000 0.2889 0.3671 ( 4682 PWs) bands (ev): -20.9438 -20.9438 -20.9293 -20.9293 -20.0498 -20.0498 -20.0491 -20.0491 -5.8159 -5.8159 -5.7719 -5.7719 -5.3395 -5.3395 -5.2958 -5.2958 -4.9814 -4.9814 -4.9289 -4.9289 -4.5986 -4.5986 -4.5729 -4.5729 -4.2330 -4.2330 -4.2114 -4.2114 -3.9288 -3.9288 -3.9179 -3.9179 -2.3025 -2.3025 -2.2914 -2.2914 4.5432 4.5432 4.5908 4.5908 5.4786 5.4786 5.5083 5.5083 5.8401 5.8401 5.8738 5.8738 9.8753 9.8753 10.0871 10.0871 10.7812 10.7812 11.0116 11.0116 11.0223 11.0223 k =-0.5000 0.2889 0.3496 ( 4682 PWs) bands (ev): -20.9474 -20.9474 -20.9256 -20.9256 -20.0500 -20.0500 -20.0489 -20.0489 -5.8296 -5.8296 -5.7638 -5.7638 -5.3479 -5.3479 -5.2828 -5.2828 -4.9918 -4.9918 -4.9135 -4.9135 -4.6054 -4.6054 -4.5669 -4.5669 -4.2381 -4.2381 -4.2056 -4.2056 -3.9319 -3.9319 -3.9154 -3.9154 -2.3083 -2.3083 -2.2918 -2.2918 4.5380 4.5380 4.6101 4.6101 5.4727 5.4727 5.5167 5.5167 5.8338 5.8338 5.8839 5.8839 9.8095 9.8095 10.1175 10.1175 10.7251 10.7251 10.9933 10.9933 11.0848 11.0848 k =-0.5000 0.2889 0.3321 ( 4670 PWs) bands (ev): -20.9510 -20.9510 -20.9221 -20.9221 -20.0502 -20.0502 -20.0487 -20.0487 -5.8442 -5.8442 -5.7567 -5.7567 -5.3552 -5.3552 -5.2692 -5.2692 -5.0011 -5.0011 -4.8974 -4.8974 -4.6121 -4.6121 -4.5611 -4.5611 -4.2430 -4.2430 -4.1997 -4.1997 -3.9350 -3.9350 -3.9130 -3.9130 -2.3153 -2.3153 -2.2934 -2.2934 4.5352 4.5352 4.6323 4.6323 5.4678 5.4678 5.5254 5.5254 5.8285 5.8285 5.8943 5.8943 9.7415 9.7415 10.1351 10.1351 10.6712 10.6712 10.9888 10.9888 11.1476 11.1476 k =-0.5000 0.2889 0.3146 ( 4676 PWs) bands (ev): -20.9544 -20.9544 -20.9185 -20.9185 -20.0504 -20.0504 -20.0486 -20.0486 -5.8596 -5.8596 -5.7508 -5.7508 -5.3614 -5.3614 -5.2552 -5.2552 -5.0093 -5.0093 -4.8809 -4.8809 -4.6189 -4.6189 -4.5556 -4.5556 -4.2478 -4.2478 -4.1935 -4.1935 -3.9383 -3.9383 -3.9107 -3.9107 -2.3233 -2.3233 -2.2961 -2.2961 4.5344 4.5344 4.6575 4.6575 5.4638 5.4638 5.5342 5.5342 5.8242 5.8242 5.9047 5.9047 9.6723 9.6723 10.1399 10.1399 10.6198 10.6198 10.9986 10.9986 11.2101 11.2101 k =-0.5000 0.2889 0.2972 ( 4676 PWs) bands (ev): -20.9578 -20.9578 -20.9151 -20.9151 -20.0505 -20.0505 -20.0484 -20.0484 -5.8755 -5.8755 -5.7458 -5.7458 -5.3666 -5.3666 -5.2409 -5.2409 -5.0164 -5.0164 -4.8641 -4.8641 -4.6254 -4.6254 -4.5503 -4.5503 -4.2526 -4.2526 -4.1872 -4.1872 -3.9417 -3.9417 -3.9084 -3.9084 -2.3322 -2.3322 -2.2999 -2.2999 4.5353 4.5353 4.6854 4.6854 5.4610 5.4610 5.5432 5.5432 5.8208 5.8208 5.9150 5.9150 9.6028 9.6028 10.1333 10.1333 10.5711 10.5711 11.0213 11.0213 11.2713 11.2713 k =-0.5000 0.2889 0.2797 ( 4680 PWs) bands (ev): -20.9611 -20.9611 -20.9118 -20.9118 -20.0507 -20.0507 -20.0482 -20.0482 -5.8918 -5.8918 -5.7416 -5.7416 -5.3709 -5.3709 -5.2266 -5.2266 -5.0224 -5.0224 -4.8473 -4.8473 -4.6317 -4.6317 -4.5453 -4.5453 -4.2572 -4.2572 -4.1807 -4.1807 -3.9453 -3.9453 -3.9062 -3.9062 -2.3418 -2.3418 -2.3046 -2.3046 4.5376 4.5376 4.7159 4.7159 5.4594 5.4594 5.5524 5.5524 5.8185 5.8185 5.9249 5.9249 9.5337 9.5337 10.1178 10.1178 10.5254 10.5254 11.0533 11.0533 11.2370 11.2370 k =-0.5000 0.2889 0.2622 ( 4676 PWs) bands (ev): -20.9642 -20.9642 -20.9086 -20.9086 -20.0509 -20.0509 -20.0481 -20.0481 -5.9082 -5.9082 -5.7382 -5.7382 -5.3743 -5.3743 -5.2122 -5.2122 -5.0273 -5.0273 -4.8310 -4.8310 -4.6374 -4.6374 -4.5405 -4.5405 -4.2618 -4.2618 -4.1739 -4.1739 -3.9490 -3.9490 -3.9041 -3.9041 -2.3521 -2.3521 -2.3101 -2.3101 4.5409 4.5409 4.7486 4.7486 5.4590 5.4590 5.5619 5.5619 5.8172 5.8172 5.9341 5.9341 9.4655 9.4655 10.0963 10.0963 10.4828 10.4828 11.0843 11.0843 11.1781 11.1781 k =-0.5000 0.2889 0.2447 ( 4684 PWs) bands (ev): -20.9673 -20.9673 -20.9055 -20.9055 -20.0511 -20.0511 -20.0479 -20.0479 -5.9246 -5.9246 -5.7355 -5.7355 -5.3769 -5.3769 -5.1979 -5.1979 -5.0312 -5.0312 -4.8156 -4.8156 -4.6424 -4.6424 -4.5360 -4.5360 -4.2662 -4.2662 -4.1671 -4.1671 -3.9529 -3.9529 -3.9020 -3.9020 -2.3629 -2.3629 -2.3163 -2.3163 4.5449 4.5449 4.7833 4.7833 5.4598 5.4598 5.5716 5.5716 5.8168 5.8168 5.9423 5.9423 9.3988 9.3988 10.0718 10.0718 10.4434 10.4434 11.0697 11.0697 11.1713 11.1713 k =-0.5000 0.2889 0.2272 ( 4684 PWs) bands (ev): -20.9701 -20.9701 -20.9025 -20.9025 -20.0512 -20.0512 -20.0478 -20.0478 -5.9408 -5.9408 -5.7333 -5.7333 -5.3788 -5.3788 -5.1840 -5.1840 -5.0341 -5.0341 -4.8017 -4.8017 -4.6461 -4.6461 -4.5318 -4.5318 -4.2706 -4.2706 -4.1600 -4.1600 -3.9570 -3.9570 -3.9001 -3.9001 -2.3739 -2.3739 -2.3230 -2.3230 4.5494 4.5494 4.8196 4.8196 5.4618 5.4618 5.5819 5.5819 5.8173 5.8173 5.9491 5.9491 9.3342 9.3342 10.0465 10.0465 10.4075 10.4075 11.0138 11.0138 11.1659 11.1659 k =-0.5000 0.2889 0.2098 ( 4688 PWs) bands (ev): -20.9729 -20.9729 -20.8997 -20.8997 -20.0513 -20.0513 -20.0477 -20.0477 -5.9566 -5.9566 -5.7317 -5.7317 -5.3802 -5.3802 -5.1704 -5.1704 -5.0361 -5.0361 -4.7900 -4.7900 -4.6480 -4.6480 -4.5279 -4.5279 -4.2748 -4.2748 -4.1529 -4.1529 -3.9612 -3.9612 -3.8982 -3.8982 -2.3851 -2.3851 -2.3301 -2.3301 4.5539 4.5539 4.8569 4.8569 5.4647 5.4647 5.5926 5.5926 5.8187 5.8187 5.9543 5.9543 9.2720 9.2720 10.0223 10.0223 10.3750 10.3750 10.9537 10.9537 11.1194 11.1194 k =-0.5000 0.2889 0.1923 ( 4688 PWs) bands (ev): -20.9754 -20.9754 -20.8971 -20.8971 -20.0515 -20.0515 -20.0475 -20.0475 -5.9718 -5.9718 -5.7305 -5.7305 -5.3812 -5.3812 -5.1573 -5.1573 -5.0372 -5.0372 -4.7810 -4.7810 -4.6478 -4.6478 -4.5243 -4.5243 -4.2790 -4.2790 -4.1457 -4.1457 -3.9656 -3.9656 -3.8964 -3.8964 -2.3962 -2.3962 -2.3374 -2.3374 4.5584 4.5584 4.8950 4.8950 5.4683 5.4683 5.6041 5.6041 5.8209 5.8209 5.9577 5.9577 9.2127 9.2127 10.0007 10.0007 10.3460 10.3460 10.8952 10.8952 11.0732 11.0732 k =-0.5000 0.2889 0.1748 ( 4686 PWs) bands (ev): -20.9778 -20.9778 -20.8947 -20.8947 -20.0516 -20.0516 -20.0474 -20.0474 -5.9861 -5.9861 -5.7295 -5.7295 -5.3817 -5.3817 -5.1449 -5.1449 -5.0373 -5.0373 -4.7753 -4.7753 -4.6451 -4.6451 -4.5209 -4.5209 -4.2830 -4.2830 -4.1384 -4.1384 -3.9701 -3.9701 -3.8947 -3.8947 -2.4071 -2.4071 -2.3448 -2.3448 4.5625 4.5625 4.9331 4.9331 5.4724 5.4724 5.6164 5.6164 5.8238 5.8238 5.9589 5.9589 9.1568 9.1568 9.9826 9.9826 10.3205 10.3205 10.8395 10.8395 11.0297 11.0297 k =-0.5000 0.2889 0.1573 ( 4682 PWs) bands (ev): -20.9799 -20.9799 -20.8924 -20.8924 -20.0517 -20.0517 -20.0473 -20.0473 -5.9996 -5.9996 -5.7289 -5.7289 -5.3820 -5.3820 -5.1334 -5.1334 -5.0366 -5.0366 -4.7728 -4.7728 -4.6400 -4.6400 -4.5178 -4.5178 -4.2868 -4.2868 -4.1311 -4.1311 -3.9747 -3.9747 -3.8931 -3.8931 -2.4175 -2.4175 -2.3520 -2.3520 4.5663 4.5663 4.9706 4.9706 5.4767 5.4767 5.6295 5.6295 5.8274 5.8274 5.9579 5.9579 9.1046 9.1046 9.9686 9.9686 10.2986 10.2986 10.7871 10.7871 10.9894 10.9894 k =-0.5000 0.2889 0.1398 ( 4678 PWs) bands (ev): -20.9819 -20.9819 -20.8903 -20.8903 -20.0518 -20.0518 -20.0472 -20.0472 -6.0120 -6.0120 -5.7285 -5.7285 -5.3821 -5.3821 -5.1229 -5.1229 -5.0350 -5.0350 -4.7731 -4.7731 -4.6331 -4.6331 -4.5151 -4.5151 -4.2904 -4.2904 -4.1239 -4.1239 -3.9794 -3.9794 -3.8916 -3.8916 -2.4274 -2.4274 -2.3590 -2.3590 4.5696 4.5696 5.0070 5.0070 5.4810 5.4810 5.6436 5.6436 5.8315 5.8315 5.9545 5.9545 9.0566 9.0566 9.9591 9.9591 10.2801 10.2801 10.7386 10.7386 10.9528 10.9528 k =-0.5000 0.2889 0.1224 ( 4666 PWs) bands (ev): -20.9837 -20.9837 -20.8885 -20.8885 -20.0519 -20.0519 -20.0471 -20.0471 -6.0232 -6.0232 -5.7282 -5.7282 -5.3820 -5.3820 -5.1136 -5.1136 -5.0326 -5.0326 -4.7755 -4.7755 -4.6252 -4.6252 -4.5126 -4.5126 -4.2937 -4.2937 -4.1169 -4.1169 -3.9841 -3.9841 -3.8903 -3.8903 -2.4365 -2.4365 -2.3655 -2.3655 4.5724 4.5724 5.0415 5.0415 5.4849 5.4849 5.6586 5.6586 5.8359 5.8359 5.9487 5.9487 9.0132 9.0132 9.9540 9.9540 10.2650 10.2650 10.6941 10.6941 10.9202 10.9202 k =-0.5000 0.2889 0.1049 ( 4662 PWs) bands (ev): -20.9852 -20.9852 -20.8869 -20.8869 -20.0520 -20.0520 -20.0470 -20.0470 -6.0331 -6.0331 -5.7281 -5.7281 -5.3818 -5.3818 -5.1057 -5.1057 -5.0295 -5.0295 -4.7791 -4.7791 -4.6170 -4.6170 -4.5104 -4.5104 -4.2968 -4.2968 -4.1101 -4.1101 -3.9887 -3.9887 -3.8891 -3.8891 -2.4448 -2.4448 -2.3714 -2.3714 4.5747 4.5747 5.0734 5.0734 5.4885 5.4885 5.6744 5.6744 5.8404 5.8404 5.9408 5.9408 8.9747 8.9747 9.9530 9.9530 10.2529 10.2529 10.6542 10.6542 10.8918 10.8918 k =-0.5000 0.2889 0.0874 ( 4670 PWs) bands (ev): -20.9865 -20.9865 -20.8855 -20.8855 -20.0521 -20.0521 -20.0470 -20.0470 -6.0417 -6.0417 -5.7280 -5.7280 -5.3816 -5.3816 -5.0992 -5.0992 -5.0259 -5.0259 -4.7834 -4.7834 -4.6092 -4.6092 -4.5085 -4.5085 -4.2995 -4.2995 -4.1038 -4.1038 -3.9932 -3.9932 -3.8880 -3.8880 -2.4520 -2.4520 -2.3767 -2.3767 4.5765 4.5765 5.1019 5.1019 5.4914 5.4914 5.6907 5.6907 5.8448 5.8448 5.9308 5.9308 8.9415 8.9415 9.9554 9.9554 10.2438 10.2438 10.6193 10.6193 10.8676 10.8676 k =-0.5000 0.2889 0.0699 ( 4668 PWs) bands (ev): -20.9876 -20.9876 -20.8844 -20.8844 -20.0521 -20.0521 -20.0469 -20.0469 -6.0488 -6.0488 -5.7280 -5.7280 -5.3814 -5.3814 -5.0942 -5.0942 -5.0221 -5.0221 -4.7878 -4.7878 -4.6022 -4.6022 -4.5070 -4.5070 -4.3019 -4.3019 -4.0981 -4.0981 -3.9974 -3.9974 -3.8871 -3.8871 -2.4581 -2.4581 -2.3812 -2.3812 4.5779 4.5779 5.1264 5.1264 5.4938 5.4938 5.7070 5.7070 5.8489 5.8489 5.9195 5.9195 8.9138 8.9138 9.9602 9.9602 10.2371 10.2371 10.5897 10.5897 10.8478 10.8478 k =-0.5000 0.2889 0.0524 ( 4664 PWs) bands (ev): -20.9884 -20.9884 -20.8835 -20.8835 -20.0522 -20.0522 -20.0468 -20.0468 -6.0544 -6.0544 -5.7280 -5.7280 -5.3812 -5.3812 -5.0904 -5.0904 -5.0186 -5.0186 -4.7918 -4.7918 -4.5964 -4.5964 -4.5057 -4.5057 -4.3038 -4.3038 -4.0933 -4.0933 -4.0010 -4.0010 -3.8865 -3.8865 -2.4629 -2.4629 -2.3848 -2.3848 4.5790 4.5790 5.1463 5.1463 5.4956 5.4956 5.7226 5.7226 5.8525 5.8525 5.9077 5.9077 8.8920 8.8920 9.9661 9.9661 10.2326 10.2326 10.5659 10.5659 10.8325 10.8325 k =-0.5000 0.2889 0.0350 ( 4674 PWs) bands (ev): -20.9891 -20.9891 -20.8829 -20.8829 -20.0522 -20.0522 -20.0468 -20.0468 -6.0584 -6.0584 -5.7281 -5.7281 -5.3810 -5.3810 -5.0878 -5.0878 -5.0157 -5.0157 -4.7950 -4.7950 -4.5922 -4.5922 -4.5048 -4.5048 -4.3052 -4.3052 -4.0895 -4.0895 -4.0039 -4.0039 -3.8860 -3.8860 -2.4664 -2.4664 -2.3874 -2.3874 4.5797 4.5797 5.1609 5.1609 5.4968 5.4968 5.7361 5.7361 5.8553 5.8553 5.8967 5.8967 8.8762 8.8762 9.9717 9.9717 10.2298 10.2298 10.5485 10.5485 10.8215 10.8215 k =-0.5000 0.2889 0.0175 ( 4670 PWs) bands (ev): -20.9894 -20.9894 -20.8825 -20.8825 -20.0522 -20.0522 -20.0468 -20.0468 -6.0608 -6.0608 -5.7281 -5.7281 -5.3809 -5.3809 -5.0863 -5.0863 -5.0138 -5.0138 -4.7970 -4.7970 -4.5895 -4.5895 -4.5043 -4.5043 -4.3060 -4.3060 -4.0871 -4.0871 -4.0058 -4.0058 -3.8857 -3.8857 -2.4686 -2.4686 -2.3890 -2.3890 4.5800 4.5800 5.1699 5.1699 5.4975 5.4975 5.7457 5.7457 5.8571 5.8571 5.8885 5.8885 8.8667 8.8667 9.9757 9.9757 10.2283 10.2283 10.5379 10.5379 10.8150 10.8150 k =-0.5000 0.2889-0.0000 ( 4668 PWs) bands (ev): -20.9896 -20.9896 -20.8824 -20.8824 -20.0522 -20.0522 -20.0468 -20.0468 -6.0616 -6.0616 -5.7281 -5.7281 -5.3809 -5.3809 -5.0858 -5.0858 -5.0131 -5.0131 -4.7977 -4.7977 -4.5887 -4.5887 -4.5041 -4.5041 -4.3063 -4.3063 -4.0862 -4.0862 -4.0064 -4.0064 -3.8856 -3.8856 -2.4693 -2.4693 -2.3895 -2.3895 4.5802 4.5802 5.1729 5.1729 5.4977 5.4977 5.7493 5.7493 5.8578 5.8578 5.8854 5.8854 8.8635 8.8635 9.9772 9.9772 10.2278 10.2278 10.5343 10.5343 10.8128 10.8128 k = 0.0000 0.0000 0.4020 ( 4674 PWs) bands (ev): -20.9411 -20.9411 -20.9411 -20.9411 -20.0462 -20.0462 -20.0462 -20.0462 -5.7519 -5.7519 -5.7519 -5.7519 -5.0342 -5.0342 -5.0342 -5.0342 -4.8385 -4.8385 -4.8385 -4.8385 -4.8091 -4.8091 -4.8091 -4.8091 -4.1278 -4.1278 -4.1278 -4.1278 -4.0205 -4.0205 -4.0205 -4.0205 -2.6520 -2.6520 -2.6520 -2.6520 4.8192 4.8192 4.8192 4.8192 5.3504 5.3504 5.3504 5.3504 5.4922 5.4922 5.4922 5.4922 10.0830 10.0830 10.0830 10.0830 10.4603 10.4603 10.4603 10.4603 10.5063 10.5063 k =-0.0156 0.0090 0.4020 ( 4670 PWs) bands (ev): -20.9411 -20.9411 -20.9411 -20.9411 -20.0462 -20.0462 -20.0462 -20.0462 -5.7520 -5.7520 -5.7519 -5.7519 -5.0351 -5.0351 -5.0348 -5.0348 -4.8417 -4.8417 -4.8410 -4.8410 -4.8066 -4.8066 -4.8055 -4.8055 -4.1292 -4.1292 -4.1290 -4.1290 -4.0193 -4.0193 -4.0192 -4.0192 -2.6511 -2.6511 -2.6510 -2.6510 4.8174 4.8174 4.8175 4.8175 5.3484 5.3484 5.3485 5.3485 5.4967 5.4967 5.4967 5.4967 10.0847 10.0847 10.0847 10.0847 10.4605 10.4605 10.4606 10.4606 10.5064 10.5064 k =-0.0312 0.0181 0.4020 ( 4676 PWs) bands (ev): -20.9410 -20.9410 -20.9410 -20.9410 -20.0463 -20.0463 -20.0463 -20.0463 -5.7522 -5.7522 -5.7521 -5.7521 -5.0375 -5.0375 -5.0368 -5.0368 -4.8483 -4.8483 -4.8475 -4.8475 -4.7999 -4.7999 -4.7982 -4.7982 -4.1328 -4.1328 -4.1326 -4.1326 -4.0157 -4.0157 -4.0156 -4.0156 -2.6481 -2.6481 -2.6480 -2.6480 4.8120 4.8120 4.8124 4.8124 5.3434 5.3434 5.3436 5.3436 5.5090 5.5090 5.5091 5.5091 10.0899 10.0899 10.0900 10.0900 10.4613 10.4613 10.4613 10.4613 10.5070 10.5070 k =-0.0469 0.0271 0.4020 ( 4658 PWs) bands (ev): -20.9410 -20.9410 -20.9410 -20.9410 -20.0463 -20.0463 -20.0463 -20.0463 -5.7525 -5.7525 -5.7524 -5.7524 -5.0412 -5.0412 -5.0402 -5.0402 -4.8560 -4.8560 -4.8553 -4.8553 -4.7914 -4.7914 -4.7894 -4.7894 -4.1382 -4.1382 -4.1379 -4.1379 -4.0104 -4.0104 -4.0102 -4.0102 -2.6432 -2.6432 -2.6430 -2.6430 4.8034 4.8034 4.8039 4.8039 5.3373 5.3373 5.3376 5.3376 5.5271 5.5271 5.5273 5.5273 10.0985 10.0985 10.0986 10.0986 10.4624 10.4624 10.4625 10.4625 10.5080 10.5080 k =-0.0625 0.0361 0.4020 ( 4658 PWs) bands (ev): -20.9409 -20.9409 -20.9409 -20.9409 -20.0463 -20.0463 -20.0463 -20.0463 -5.7529 -5.7529 -5.7529 -5.7529 -5.0464 -5.0464 -5.0450 -5.0450 -4.8639 -4.8639 -4.8633 -4.8633 -4.7823 -4.7823 -4.7801 -4.7801 -4.1448 -4.1448 -4.1444 -4.1444 -4.0039 -4.0039 -4.0037 -4.0037 -2.6365 -2.6365 -2.6362 -2.6362 4.7919 4.7919 4.7925 4.7925 5.3318 5.3318 5.3322 5.3322 5.5490 5.5490 5.5492 5.5492 10.1104 10.1104 10.1106 10.1106 10.4638 10.4638 10.4639 10.4639 10.5097 10.5097 k =-0.0781 0.0451 0.4020 ( 4670 PWs) bands (ev): -20.9408 -20.9408 -20.9408 -20.9408 -20.0464 -20.0464 -20.0464 -20.0464 -5.7536 -5.7536 -5.7535 -5.7535 -5.0530 -5.0530 -5.0514 -5.0514 -4.8716 -4.8716 -4.8712 -4.8712 -4.7729 -4.7729 -4.7706 -4.7706 -4.1521 -4.1521 -4.1516 -4.1516 -3.9967 -3.9967 -3.9964 -3.9964 -2.6279 -2.6279 -2.6276 -2.6276 4.7778 4.7778 4.7786 4.7786 5.3278 5.3278 5.3282 5.3282 5.5732 5.5732 5.5734 5.5734 10.1256 10.1256 10.1259 10.1259 10.4651 10.4651 10.4652 10.4652 10.5123 10.5123 k =-0.0938 0.0542 0.4020 ( 4658 PWs) bands (ev): -20.9407 -20.9407 -20.9407 -20.9407 -20.0465 -20.0465 -20.0465 -20.0465 -5.7543 -5.7543 -5.7542 -5.7542 -5.0609 -5.0609 -5.0592 -5.0592 -4.8789 -4.8789 -4.8787 -4.8787 -4.7634 -4.7634 -4.7609 -4.7609 -4.1596 -4.1596 -4.1590 -4.1590 -3.9892 -3.9892 -3.9889 -3.9889 -2.6177 -2.6177 -2.6173 -2.6173 4.7618 4.7618 4.7627 4.7627 5.3258 5.3258 5.3263 5.3263 5.5985 5.5985 5.5987 5.5987 10.1441 10.1441 10.1444 10.1444 10.4660 10.4660 10.4661 10.4661 10.5160 10.5160 k =-0.1094 0.0632 0.4020 ( 4666 PWs) bands (ev): -20.9406 -20.9406 -20.9406 -20.9406 -20.0466 -20.0466 -20.0466 -20.0466 -5.7551 -5.7551 -5.7551 -5.7551 -5.0702 -5.0702 -5.0683 -5.0683 -4.8858 -4.8858 -4.8858 -4.8858 -4.7538 -4.7538 -4.7513 -4.7513 -4.1671 -4.1671 -4.1664 -4.1664 -3.9818 -3.9818 -3.9814 -3.9814 -2.6060 -2.6060 -2.6055 -2.6055 4.7443 4.7443 4.7453 4.7453 5.3260 5.3260 5.3265 5.3265 5.6241 5.6241 5.6244 5.6244 10.1655 10.1655 10.1659 10.1659 10.4663 10.4663 10.4664 10.4664 10.5210 10.5210 k =-0.1250 0.0722 0.4020 ( 4660 PWs) bands (ev): -20.9404 -20.9404 -20.9404 -20.9404 -20.0467 -20.0467 -20.0467 -20.0467 -5.7561 -5.7561 -5.7560 -5.7560 -5.0807 -5.0807 -5.0787 -5.0787 -4.8923 -4.8923 -4.8922 -4.8922 -4.7442 -4.7442 -4.7417 -4.7417 -4.1743 -4.1743 -4.1736 -4.1736 -3.9745 -3.9745 -3.9742 -3.9742 -2.5928 -2.5928 -2.5923 -2.5923 4.7259 4.7259 4.7269 4.7269 5.3284 5.3284 5.3289 5.3289 5.6495 5.6495 5.6497 5.6497 10.1899 10.1899 10.1903 10.1903 10.4656 10.4656 10.4656 10.4656 10.5276 10.5276 k =-0.1406 0.0812 0.4020 ( 4664 PWs) bands (ev): -20.9402 -20.9402 -20.9402 -20.9402 -20.0468 -20.0468 -20.0468 -20.0468 -5.7572 -5.7572 -5.7571 -5.7571 -5.0922 -5.0922 -5.0902 -5.0902 -4.8983 -4.8983 -4.8981 -4.8981 -4.7346 -4.7346 -4.7321 -4.7321 -4.1811 -4.1811 -4.1804 -4.1804 -3.9676 -3.9676 -3.9673 -3.9673 -2.5785 -2.5785 -2.5779 -2.5779 4.7071 4.7071 4.7082 4.7082 5.3328 5.3328 5.3333 5.3333 5.6740 5.6740 5.6742 5.6742 10.2170 10.2170 10.2174 10.2174 10.4639 10.4639 10.4639 10.4639 10.5356 10.5356 k =-0.1562 0.0903 0.4020 ( 4672 PWs) bands (ev): -20.9401 -20.9401 -20.9401 -20.9401 -20.0470 -20.0470 -20.0470 -20.0470 -5.7584 -5.7584 -5.7584 -5.7584 -5.1047 -5.1047 -5.1027 -5.1027 -4.9038 -4.9038 -4.9036 -4.9036 -4.7251 -4.7251 -4.7226 -4.7226 -4.1874 -4.1874 -4.1866 -4.1866 -3.9612 -3.9612 -3.9609 -3.9609 -2.5631 -2.5631 -2.5625 -2.5625 4.6883 4.6883 4.6894 4.6894 5.3390 5.3390 5.3395 5.3395 5.6973 5.6973 5.6975 5.6975 10.2464 10.2464 10.2470 10.2470 10.4610 10.4610 10.4611 10.4611 10.5452 10.5452 k =-0.1719 0.0993 0.4020 ( 4674 PWs) bands (ev): -20.9399 -20.9399 -20.9399 -20.9399 -20.0471 -20.0471 -20.0471 -20.0471 -5.7598 -5.7598 -5.7597 -5.7597 -5.1179 -5.1179 -5.1160 -5.1160 -4.9089 -4.9089 -4.9086 -4.9086 -4.7156 -4.7156 -4.7131 -4.7131 -4.1932 -4.1932 -4.1924 -4.1924 -3.9554 -3.9554 -3.9550 -3.9550 -2.5469 -2.5469 -2.5463 -2.5463 4.6700 4.6700 4.6711 4.6711 5.3467 5.3467 5.3472 5.3472 5.7191 5.7191 5.7194 5.7194 10.2777 10.2777 10.2783 10.2783 10.4574 10.4574 10.4575 10.4575 10.5563 10.5563 k =-0.1875 0.1083 0.4020 ( 4680 PWs) bands (ev): -20.9397 -20.9397 -20.9397 -20.9397 -20.0472 -20.0472 -20.0472 -20.0472 -5.7612 -5.7612 -5.7612 -5.7612 -5.1317 -5.1317 -5.1299 -5.1299 -4.9136 -4.9136 -4.9132 -4.9132 -4.7062 -4.7062 -4.7038 -4.7038 -4.1983 -4.1983 -4.1975 -4.1975 -3.9501 -3.9501 -3.9497 -3.9497 -2.5300 -2.5300 -2.5294 -2.5294 4.6525 4.6525 4.6536 4.6536 5.3558 5.3558 5.3563 5.3563 5.7392 5.7392 5.7394 5.7394 10.3095 10.3095 10.3101 10.3101 10.4539 10.4539 10.4541 10.4541 10.5687 10.5688 k =-0.2031 0.1174 0.4020 ( 4684 PWs) bands (ev): -20.9395 -20.9395 -20.9395 -20.9395 -20.0474 -20.0474 -20.0474 -20.0474 -5.7628 -5.7628 -5.7628 -5.7628 -5.1459 -5.1459 -5.1442 -5.1442 -4.9179 -4.9179 -4.9176 -4.9176 -4.6969 -4.6969 -4.6946 -4.6946 -4.2029 -4.2029 -4.2020 -4.2020 -3.9453 -3.9453 -3.9449 -3.9449 -2.5127 -2.5127 -2.5120 -2.5120 4.6361 4.6361 4.6372 4.6372 5.3658 5.3658 5.3664 5.3664 5.7574 5.7574 5.7576 5.7576 10.3387 10.3387 10.3393 10.3393 10.4535 10.4535 10.4536 10.4536 10.5825 10.5825 k =-0.2188 0.1264 0.4020 ( 4684 PWs) bands (ev): -20.9393 -20.9393 -20.9393 -20.9393 -20.0475 -20.0475 -20.0475 -20.0475 -5.7645 -5.7645 -5.7645 -5.7645 -5.1603 -5.1603 -5.1587 -5.1587 -4.9220 -4.9220 -4.9216 -4.9216 -4.6877 -4.6877 -4.6854 -4.6854 -4.2069 -4.2069 -4.2060 -4.2060 -3.9412 -3.9412 -3.9407 -3.9407 -2.4951 -2.4951 -2.4944 -2.4944 4.6210 4.6210 4.6221 4.6221 5.3767 5.3767 5.3772 5.3772 5.7736 5.7736 5.7738 5.7738 10.3582 10.3582 10.3588 10.3588 10.4629 10.4629 10.4629 10.4629 10.5975 10.5975 k =-0.2344 0.1354 0.4020 ( 4680 PWs) bands (ev): -20.9390 -20.9390 -20.9390 -20.9390 -20.0477 -20.0477 -20.0477 -20.0477 -5.7662 -5.7662 -5.7662 -5.7662 -5.1747 -5.1747 -5.1732 -5.1732 -4.9257 -4.9257 -4.9254 -4.9254 -4.6786 -4.6786 -4.6765 -4.6765 -4.2103 -4.2103 -4.2093 -4.2093 -3.9375 -3.9375 -3.9371 -3.9371 -2.4774 -2.4774 -2.4767 -2.4767 4.6074 4.6074 4.6085 4.6085 5.3881 5.3881 5.3886 5.3886 5.7878 5.7878 5.7880 5.7880 10.3615 10.3615 10.3619 10.3619 10.4883 10.4883 10.4884 10.4884 10.6137 10.6137 k =-0.2500 0.1444 0.4020 ( 4682 PWs) bands (ev): -20.9388 -20.9388 -20.9388 -20.9388 -20.0479 -20.0479 -20.0479 -20.0479 -5.7681 -5.7681 -5.7681 -5.7681 -5.1891 -5.1891 -5.1877 -5.1877 -4.9292 -4.9292 -4.9289 -4.9289 -4.6697 -4.6697 -4.6677 -4.6677 -4.2131 -4.2131 -4.2122 -4.2122 -3.9344 -3.9344 -3.9340 -3.9340 -2.4598 -2.4598 -2.4591 -2.4591 4.5954 4.5954 4.5964 4.5964 5.3997 5.3997 5.4002 5.4002 5.8001 5.8001 5.8002 5.8002 10.3513 10.3513 10.3517 10.3517 10.5265 10.5265 10.5267 10.5267 10.6310 10.6311 k =-0.2656 0.1535 0.4020 ( 4684 PWs) bands (ev): -20.9386 -20.9386 -20.9386 -20.9386 -20.0480 -20.0480 -20.0480 -20.0480 -5.7700 -5.7700 -5.7700 -5.7700 -5.2031 -5.2031 -5.2019 -5.2019 -4.9325 -4.9325 -4.9322 -4.9322 -4.6610 -4.6610 -4.6591 -4.6591 -4.2155 -4.2155 -4.2146 -4.2146 -3.9318 -3.9318 -3.9314 -3.9314 -2.4424 -2.4424 -2.4417 -2.4417 4.5850 4.5850 4.5860 4.5860 5.4114 5.4114 5.4118 5.4118 5.8105 5.8105 5.8106 5.8106 10.3333 10.3333 10.3336 10.3336 10.5719 10.5719 10.5722 10.5722 10.6494 10.6494 k =-0.2812 0.1625 0.4020 ( 4684 PWs) bands (ev): -20.9384 -20.9384 -20.9384 -20.9384 -20.0482 -20.0482 -20.0482 -20.0482 -5.7720 -5.7720 -5.7719 -5.7719 -5.2168 -5.2168 -5.2157 -5.2157 -4.9356 -4.9356 -4.9353 -4.9353 -4.6526 -4.6526 -4.6508 -4.6508 -4.2175 -4.2175 -4.2166 -4.2166 -3.9297 -3.9297 -3.9292 -3.9292 -2.4255 -2.4255 -2.4248 -2.4248 4.5763 4.5763 4.5773 4.5773 5.4228 5.4228 5.4232 5.4232 5.8191 5.8191 5.8192 5.8192 10.3103 10.3103 10.3105 10.3105 10.6214 10.6214 10.6217 10.6217 10.6688 10.6688 k =-0.2969 0.1715 0.4020 ( 4680 PWs) bands (ev): -20.9382 -20.9382 -20.9382 -20.9382 -20.0483 -20.0483 -20.0483 -20.0483 -5.7740 -5.7740 -5.7739 -5.7739 -5.2299 -5.2299 -5.2289 -5.2289 -4.9385 -4.9385 -4.9383 -4.9383 -4.6444 -4.6444 -4.6427 -4.6427 -4.2190 -4.2190 -4.2181 -4.2181 -3.9279 -3.9279 -3.9275 -3.9275 -2.4091 -2.4091 -2.4085 -2.4085 4.5693 4.5693 4.5702 4.5702 5.4337 5.4337 5.4342 5.4342 5.8262 5.8262 5.8263 5.8263 10.2837 10.2837 10.2840 10.2840 10.6726 10.6726 10.6731 10.6731 10.6896 10.6896 k =-0.3125 0.1805 0.4020 ( 4686 PWs) bands (ev): -20.9380 -20.9380 -20.9380 -20.9380 -20.0485 -20.0485 -20.0485 -20.0485 -5.7760 -5.7760 -5.7760 -5.7760 -5.2424 -5.2424 -5.2415 -5.2415 -4.9412 -4.9412 -4.9410 -4.9410 -4.6366 -4.6366 -4.6350 -4.6350 -4.2202 -4.2202 -4.2194 -4.2194 -3.9265 -3.9265 -3.9261 -3.9261 -2.3935 -2.3935 -2.3929 -2.3929 4.5638 4.5638 4.5646 4.5646 5.4440 5.4440 5.4444 5.4444 5.8320 5.8320 5.8321 5.8321 10.2547 10.2547 10.2549 10.2549 10.7080 10.7080 10.7081 10.7081 10.7287 10.7287 k =-0.3281 0.1896 0.4020 ( 4682 PWs) bands (ev): -20.9378 -20.9378 -20.9378 -20.9378 -20.0486 -20.0486 -20.0486 -20.0486 -5.7781 -5.7781 -5.7780 -5.7780 -5.2541 -5.2541 -5.2534 -5.2534 -4.9437 -4.9437 -4.9435 -4.9435 -4.6292 -4.6292 -4.6277 -4.6277 -4.2211 -4.2211 -4.2203 -4.2203 -3.9254 -3.9254 -3.9250 -3.9250 -2.3787 -2.3787 -2.3781 -2.3781 4.5597 4.5597 4.5605 4.5605 5.4534 5.4534 5.4538 5.4538 5.8367 5.8367 5.8367 5.8367 10.2240 10.2240 10.2242 10.2242 10.7299 10.7299 10.7299 10.7299 10.7815 10.7815 k =-0.3438 0.1986 0.4020 ( 4682 PWs) bands (ev): -20.9376 -20.9376 -20.9376 -20.9376 -20.0488 -20.0488 -20.0488 -20.0488 -5.7800 -5.7800 -5.7799 -5.7799 -5.2651 -5.2651 -5.2645 -5.2645 -4.9460 -4.9460 -4.9458 -4.9458 -4.6222 -4.6222 -4.6209 -4.6209 -4.2218 -4.2218 -4.2210 -4.2210 -3.9246 -3.9246 -3.9243 -3.9243 -2.3648 -2.3648 -2.3643 -2.3643 4.5570 4.5570 4.5578 4.5578 5.4618 5.4618 5.4622 5.4622 5.8404 5.8404 5.8405 5.8405 10.1925 10.1925 10.1927 10.1927 10.7515 10.7515 10.7515 10.7515 10.8335 10.8335 k =-0.3594 0.2076 0.4020 ( 4682 PWs) bands (ev): -20.9374 -20.9374 -20.9374 -20.9374 -20.0489 -20.0489 -20.0489 -20.0489 -5.7819 -5.7819 -5.7819 -5.7819 -5.2752 -5.2752 -5.2746 -5.2746 -4.9481 -4.9481 -4.9479 -4.9479 -4.6156 -4.6156 -4.6145 -4.6145 -4.2223 -4.2223 -4.2215 -4.2215 -3.9241 -3.9241 -3.9237 -3.9237 -2.3520 -2.3520 -2.3515 -2.3515 4.5555 4.5555 4.5561 4.5561 5.4691 5.4691 5.4695 5.4695 5.8434 5.8434 5.8435 5.8435 10.1612 10.1612 10.1614 10.1614 10.7731 10.7731 10.7731 10.7731 10.8829 10.8829 k =-0.3750 0.2166 0.4020 ( 4682 PWs) bands (ev): -20.9372 -20.9372 -20.9372 -20.9372 -20.0490 -20.0490 -20.0490 -20.0490 -5.7838 -5.7838 -5.7837 -5.7837 -5.2843 -5.2843 -5.2839 -5.2839 -4.9500 -4.9500 -4.9498 -4.9498 -4.6096 -4.6096 -4.6086 -4.6086 -4.2226 -4.2226 -4.2219 -4.2219 -3.9237 -3.9237 -3.9233 -3.9233 -2.3403 -2.3403 -2.3399 -2.3399 4.5549 4.5549 4.5555 4.5555 5.4753 5.4753 5.4756 5.4756 5.8460 5.8460 5.8460 5.8460 10.1307 10.1307 10.1309 10.1309 10.7943 10.7943 10.7944 10.7944 10.9280 10.9280 k =-0.3906 0.2257 0.4020 ( 4686 PWs) bands (ev): -20.9371 -20.9371 -20.9371 -20.9371 -20.0491 -20.0491 -20.0491 -20.0491 -5.7855 -5.7855 -5.7854 -5.7854 -5.2925 -5.2925 -5.2921 -5.2921 -4.9517 -4.9517 -4.9515 -4.9515 -4.6042 -4.6042 -4.6033 -4.6033 -4.2227 -4.2227 -4.2221 -4.2221 -3.9234 -3.9234 -3.9231 -3.9231 -2.3298 -2.3298 -2.3294 -2.3294 4.5551 4.5551 4.5556 4.5556 5.4803 5.4803 5.4806 5.4806 5.8481 5.8481 5.8481 5.8481 10.1019 10.1019 10.1021 10.1021 10.8149 10.8149 10.8150 10.8150 10.9675 10.9675 k =-0.4062 0.2347 0.4020 ( 4686 PWs) bands (ev): -20.9369 -20.9369 -20.9369 -20.9369 -20.0492 -20.0492 -20.0492 -20.0492 -5.7870 -5.7870 -5.7869 -5.7869 -5.2996 -5.2996 -5.2993 -5.2993 -4.9531 -4.9531 -4.9530 -4.9530 -4.5994 -4.5994 -4.5987 -4.5987 -4.2228 -4.2228 -4.2223 -4.2223 -3.9233 -3.9233 -3.9230 -3.9230 -2.3206 -2.3206 -2.3203 -2.3203 4.5559 4.5559 4.5563 4.5563 5.4843 5.4843 5.4845 5.4845 5.8499 5.8499 5.8500 5.8500 10.0755 10.0755 10.0756 10.0756 10.8344 10.8344 10.8344 10.8344 11.0008 11.0008 k =-0.4219 0.2437 0.4020 ( 4682 PWs) bands (ev): -20.9368 -20.9368 -20.9368 -20.9368 -20.0493 -20.0493 -20.0493 -20.0493 -5.7884 -5.7884 -5.7883 -5.7883 -5.3056 -5.3056 -5.3054 -5.3054 -4.9544 -4.9544 -4.9543 -4.9543 -4.5953 -4.5953 -4.5946 -4.5946 -4.2228 -4.2228 -4.2223 -4.2223 -3.9232 -3.9232 -3.9230 -3.9230 -2.3127 -2.3127 -2.3124 -2.3124 4.5569 4.5569 4.5573 4.5573 5.4872 5.4872 5.4874 5.4874 5.8515 5.8515 5.8515 5.8515 10.0520 10.0520 10.0522 10.0522 10.8523 10.8523 10.8523 10.8523 11.0275 11.0275 k =-0.4375 0.2528 0.4020 ( 4686 PWs) bands (ev): -20.9367 -20.9367 -20.9367 -20.9367 -20.0494 -20.0494 -20.0494 -20.0494 -5.7895 -5.7895 -5.7894 -5.7894 -5.3106 -5.3106 -5.3105 -5.3105 -4.9554 -4.9554 -4.9553 -4.9553 -4.5918 -4.5918 -4.5913 -4.5913 -4.2228 -4.2228 -4.2224 -4.2224 -3.9232 -3.9232 -3.9230 -3.9230 -2.3062 -2.3062 -2.3060 -2.3060 4.5582 4.5582 4.5585 4.5585 5.4894 5.4894 5.4895 5.4895 5.8529 5.8529 5.8529 5.8529 10.0321 10.0321 10.0322 10.0322 10.8680 10.8680 10.8681 10.8681 11.0480 11.0480 k =-0.4531 0.2618 0.4020 ( 4684 PWs) bands (ev): -20.9367 -20.9367 -20.9367 -20.9367 -20.0494 -20.0494 -20.0494 -20.0494 -5.7904 -5.7904 -5.7904 -5.7904 -5.3145 -5.3145 -5.3144 -5.3144 -4.9562 -4.9562 -4.9561 -4.9561 -4.5891 -4.5891 -4.5887 -4.5887 -4.2227 -4.2227 -4.2224 -4.2224 -3.9232 -3.9232 -3.9230 -3.9230 -2.3011 -2.3011 -2.3009 -2.3009 4.5593 4.5593 4.5596 4.5596 5.4909 5.4909 5.4910 5.4910 5.8539 5.8539 5.8540 5.8540 10.0162 10.0162 10.0163 10.0163 10.8811 10.8811 10.8811 10.8811 11.0630 11.0630 k =-0.4688 0.2708 0.4020 ( 4682 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0494 -20.0494 -20.0494 -20.0494 -5.7911 -5.7911 -5.7911 -5.7911 -5.3173 -5.3173 -5.3172 -5.3172 -4.9567 -4.9567 -4.9567 -4.9567 -4.5871 -4.5871 -4.5868 -4.5868 -4.2226 -4.2226 -4.2224 -4.2224 -3.9232 -3.9232 -3.9231 -3.9231 -2.2974 -2.2974 -2.2973 -2.2973 4.5603 4.5603 4.5605 4.5605 5.4918 5.4918 5.4919 5.4919 5.8548 5.8548 5.8548 5.8548 10.0046 10.0046 10.0046 10.0046 10.8909 10.8909 10.8909 10.8909 11.0731 11.0731 k =-0.4844 0.2798 0.4020 ( 4678 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0495 -20.0495 -20.0495 -20.0495 -5.7915 -5.7915 -5.7915 -5.7915 -5.3190 -5.3190 -5.3189 -5.3189 -4.9571 -4.9571 -4.9571 -4.9571 -4.5859 -4.5859 -4.5857 -4.5857 -4.2225 -4.2225 -4.2224 -4.2224 -3.9232 -3.9232 -3.9231 -3.9231 -2.2952 -2.2952 -2.2951 -2.2951 4.5610 4.5610 4.5610 4.5610 5.4923 5.4923 5.4923 5.4923 5.8553 5.8553 5.8553 5.8553 9.9975 9.9975 9.9975 9.9975 10.8970 10.8970 10.8970 10.8970 11.0789 11.0789 k =-0.5000 0.2889 0.4020 ( 4684 PWs) bands (ev): -20.9366 -20.9366 -20.9366 -20.9366 -20.0495 -20.0495 -20.0495 -20.0495 -5.7916 -5.7916 -5.7916 -5.7916 -5.3195 -5.3195 -5.3195 -5.3195 -4.9572 -4.9572 -4.9572 -4.9572 -4.5854 -4.5854 -4.5854 -4.5854 -4.2225 -4.2225 -4.2225 -4.2225 -3.9232 -3.9232 -3.9232 -3.9232 -2.2945 -2.2945 -2.2945 -2.2945 4.5612 4.5612 4.5612 4.5612 5.4925 5.4925 5.4925 5.4925 5.8554 5.8554 5.8554 5.8554 9.9951 9.9951 9.9951 9.9951 10.8991 10.8991 10.8991 10.8991 11.0808 11.0808 Writing output data file Rb2Te.save init_run : 3.13s CPU 12.94s WALL ( 1 calls) electrons : 1166.85s CPU 1176.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.30s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 1166.80s CPU 1175.90s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.94s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.09s CPU 0.59s WALL ( 1 calls) newd : 0.73s CPU 0.84s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.18s WALL ( 318 calls) cegterg : 1078.44s CPU 1084.20s WALL ( 1005 calls) Called by sum_band: Called by *egterg: h_psi : 449.45s CPU 460.53s WALL ( 18785 calls) s_psi : 62.05s CPU 62.42s WALL ( 18785 calls) g_psi : 0.89s CPU 0.91s WALL ( 17462 calls) cdiaghg : 443.50s CPU 439.12s WALL ( 17780 calls) cegterg:over : 75.34s CPU 71.58s WALL ( 17462 calls) cegterg:upda : 19.46s CPU 24.62s WALL ( 17462 calls) cegterg:last : 12.00s CPU 12.74s WALL ( 1967 calls) Called by h_psi: h_psi:vloc : 335.69s CPU 344.74s WALL ( 18785 calls) h_psi:vnl : 113.34s CPU 114.69s WALL ( 18785 calls) add_vuspsi : 44.32s CPU 49.91s WALL ( 18785 calls) General routines calbec : 68.95s CPU 64.66s WALL ( 18785 calls) fft : 0.36s CPU 1.21s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 317.62s CPU 322.83s WALL ( 1483868 calls) interpolate : 0.03s CPU 0.08s WALL ( 4 calls) davcio : 0.03s CPU 3.00s WALL ( 636 calls) Parallel routines fft_scatter : 168.32s CPU 172.28s WALL ( 1483891 calls) PWSCF : 20m36.72s CPU 25m52.89s WALL This run was terminated on: 13:38: 8 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=