Program PWSCF v.5.1.1 starts on 23Jul2015 at 12:30: 0 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: ./HfGe2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 32 9 1114 674 109 Max 46 33 10 1119 693 114 Sum 2159 1561 467 53583 32791 5375 bravais-lattice index = 14 lattice parameter (alat) = 14.6279 a.u. unit-cell volume = 730.1002 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.627910 celldm(2)= 1.000000 celldm(3)= 0.488298 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.878526 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.878526 0.477694 0.000000 ) a(3) = ( 0.000000 0.000000 0.488298 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.839096 -0.000000 ) b(2) = ( 0.000000 2.093388 -0.000000 ) b(3) = ( 0.000000 0.000000 2.047928 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hf read from file: /home/autes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Ge 4.00 72.64000 Ge( 1.00) Hf 12.00 178.49000 Hf( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 ) ( 0.2441492 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2441492 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 410 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 2) = ( 0.0060492 0.0237885 -0.0000000), wk = 0.0024390 k( 3) = ( 0.0120985 0.0475770 -0.0000000), wk = 0.0024390 k( 4) = ( 0.0181477 0.0713655 -0.0000000), wk = 0.0024390 k( 5) = ( 0.0241969 0.0951540 -0.0000000), wk = 0.0024390 k( 6) = ( 0.0302461 0.1189425 -0.0000000), wk = 0.0024390 k( 7) = ( 0.0362954 0.1427310 -0.0000000), wk = 0.0024390 k( 8) = ( 0.0423446 0.1665195 -0.0000000), wk = 0.0024390 k( 9) = ( 0.0483938 0.1903080 -0.0000000), wk = 0.0024390 k( 10) = ( 0.0544431 0.2140965 -0.0000000), wk = 0.0024390 k( 11) = ( 0.0604923 0.2378850 -0.0000000), wk = 0.0024390 k( 12) = ( 0.0665415 0.2616735 -0.0000000), wk = 0.0024390 k( 13) = ( 0.0725908 0.2854620 -0.0000000), wk = 0.0024390 k( 14) = ( 0.0786400 0.3092505 -0.0000000), wk = 0.0024390 k( 15) = ( 0.0846892 0.3330390 -0.0000000), wk = 0.0024390 k( 16) = ( 0.0907384 0.3568275 -0.0000000), wk = 0.0024390 k( 17) = ( 0.0967877 0.3806160 -0.0000000), wk = 0.0024390 k( 18) = ( 0.1028369 0.4044045 -0.0000000), wk = 0.0024390 k( 19) = ( 0.1088861 0.4281930 -0.0000000), wk = 0.0024390 k( 20) = ( 0.1149354 0.4519815 -0.0000000), wk = 0.0024390 k( 21) = ( 0.1209846 0.4757700 -0.0000000), wk = 0.0024390 k( 22) = ( 0.1270338 0.4995585 -0.0000000), wk = 0.0024390 k( 23) = ( 0.1330831 0.5233470 -0.0000000), wk = 0.0024390 k( 24) = ( 0.1391323 0.5471355 -0.0000000), wk = 0.0024390 k( 25) = ( 0.1451815 0.5709241 -0.0000000), wk = 0.0024390 k( 26) = ( 0.1512308 0.5947126 -0.0000000), wk = 0.0024390 k( 27) = ( 0.1572800 0.6185011 -0.0000000), wk = 0.0024390 k( 28) = ( 0.1633292 0.6422896 -0.0000000), wk = 0.0024390 k( 29) = ( 0.1693785 0.6660781 -0.0000000), wk = 0.0024390 k( 30) = ( 0.1754277 0.6898666 -0.0000000), wk = 0.0024390 k( 31) = ( 0.1814769 0.7136551 -0.0000000), wk = 0.0024390 k( 32) = ( 0.1875261 0.7374436 -0.0000000), wk = 0.0024390 k( 33) = ( 0.1935754 0.7612321 -0.0000000), wk = 0.0024390 k( 34) = ( 0.1996246 0.7850206 -0.0000000), wk = 0.0024390 k( 35) = ( 0.2056738 0.8088091 -0.0000000), wk = 0.0024390 k( 36) = ( 0.2117231 0.8325976 -0.0000000), wk = 0.0024390 k( 37) = ( 0.2177723 0.8563861 -0.0000000), wk = 0.0024390 k( 38) = ( 0.2238215 0.8801746 -0.0000000), wk = 0.0024390 k( 39) = ( 0.2298708 0.9039631 -0.0000000), wk = 0.0024390 k( 40) = ( 0.2359200 0.9277516 -0.0000000), wk = 0.0024390 k( 41) = ( 0.2419692 0.9515401 -0.0000000), wk = 0.0024390 k( 42) = ( 0.2480184 0.9753286 -0.0000000), wk = 0.0024390 k( 43) = ( 0.2540677 0.9991171 -0.0000000), wk = 0.0024390 k( 44) = ( 0.2601169 1.0229056 -0.0000000), wk = 0.0024390 k( 45) = ( 0.2661661 1.0466941 -0.0000000), wk = 0.0024390 k( 46) = ( 0.2661661 1.0466941 -0.0000000), wk = 0.0024390 k( 47) = ( 0.2419692 1.0466941 -0.0000000), wk = 0.0024390 k( 48) = ( 0.2177723 1.0466941 -0.0000000), wk = 0.0024390 k( 49) = ( 0.1935754 1.0466941 -0.0000000), wk = 0.0024390 k( 50) = ( 0.1693785 1.0466941 -0.0000000), wk = 0.0024390 k( 51) = ( 0.1451815 1.0466941 -0.0000000), wk = 0.0024390 k( 52) = ( 0.1209846 1.0466941 -0.0000000), wk = 0.0024390 k( 53) = ( 0.0967877 1.0466941 -0.0000000), wk = 0.0024390 k( 54) = ( 0.0725908 1.0466941 -0.0000000), wk = 0.0024390 k( 55) = ( 0.0483938 1.0466941 -0.0000000), wk = 0.0024390 k( 56) = ( 0.0241969 1.0466941 -0.0000000), wk = 0.0024390 k( 57) = ( 0.0000000 1.0466941 -0.0000000), wk = 0.0024390 k( 58) = ( 0.0000000 1.0466941 -0.0000000), wk = 0.0024390 k( 59) = ( 0.0000000 1.0466941 0.0243801), wk = 0.0024390 k( 60) = ( 0.0000000 1.0466941 0.0487602), wk = 0.0024390 k( 61) = ( 0.0000000 1.0466941 0.0731403), wk = 0.0024390 k( 62) = ( 0.0000000 1.0466941 0.0975204), wk = 0.0024390 k( 63) = ( 0.0000000 1.0466941 0.1219005), wk = 0.0024390 k( 64) = ( 0.0000000 1.0466941 0.1462806), wk = 0.0024390 k( 65) = ( 0.0000000 1.0466941 0.1706606), wk = 0.0024390 k( 66) = ( 0.0000000 1.0466941 0.1950407), wk = 0.0024390 k( 67) = ( 0.0000000 1.0466941 0.2194208), wk = 0.0024390 k( 68) = ( 0.0000000 1.0466941 0.2438009), wk = 0.0024390 k( 69) = ( 0.0000000 1.0466941 0.2681810), wk = 0.0024390 k( 70) = ( 0.0000000 1.0466941 0.2925611), wk = 0.0024390 k( 71) = ( 0.0000000 1.0466941 0.3169412), wk = 0.0024390 k( 72) = ( 0.0000000 1.0466941 0.3413213), wk = 0.0024390 k( 73) = ( 0.0000000 1.0466941 0.3657014), wk = 0.0024390 k( 74) = ( 0.0000000 1.0466941 0.3900815), wk = 0.0024390 k( 75) = ( 0.0000000 1.0466941 0.4144616), wk = 0.0024390 k( 76) = ( 0.0000000 1.0466941 0.4388417), wk = 0.0024390 k( 77) = ( 0.0000000 1.0466941 0.4632218), wk = 0.0024390 k( 78) = ( 0.0000000 1.0466941 0.4876018), wk = 0.0024390 k( 79) = ( 0.0000000 1.0466941 0.5119819), wk = 0.0024390 k( 80) = ( 0.0000000 1.0466941 0.5363620), wk = 0.0024390 k( 81) = ( 0.0000000 1.0466941 0.5607421), wk = 0.0024390 k( 82) = ( 0.0000000 1.0466941 0.5851222), wk = 0.0024390 k( 83) = ( 0.0000000 1.0466941 0.6095023), wk = 0.0024390 k( 84) = ( 0.0000000 1.0466941 0.6338824), wk = 0.0024390 k( 85) = ( 0.0000000 1.0466941 0.6582625), wk = 0.0024390 k( 86) = ( 0.0000000 1.0466941 0.6826426), wk = 0.0024390 k( 87) = ( 0.0000000 1.0466941 0.7070227), wk = 0.0024390 k( 88) = ( 0.0000000 1.0466941 0.7314028), wk = 0.0024390 k( 89) = ( 0.0000000 1.0466941 0.7557829), wk = 0.0024390 k( 90) = ( 0.0000000 1.0466941 0.7801629), wk = 0.0024390 k( 91) = ( 0.0000000 1.0466941 0.8045430), wk = 0.0024390 k( 92) = ( 0.0000000 1.0466941 0.8289231), wk = 0.0024390 k( 93) = ( 0.0000000 1.0466941 0.8533032), wk = 0.0024390 k( 94) = ( 0.0000000 1.0466941 0.8776833), wk = 0.0024390 k( 95) = ( 0.0000000 1.0466941 0.9020634), wk = 0.0024390 k( 96) = ( 0.0000000 1.0466941 0.9264435), wk = 0.0024390 k( 97) = ( 0.0000000 1.0466941 0.9508236), wk = 0.0024390 k( 98) = ( 0.0000000 1.0466941 0.9752037), wk = 0.0024390 k( 99) = ( 0.0000000 1.0466941 0.9995838), wk = 0.0024390 k( 100) = ( 0.0000000 1.0466941 1.0239639), wk = 0.0024390 k( 101) = ( 0.0000000 1.0466941 1.0239639), wk = 0.0024390 k( 102) = ( 0.0241969 1.0466941 1.0239639), wk = 0.0024390 k( 103) = ( 0.0483938 1.0466941 1.0239639), wk = 0.0024390 k( 104) = ( 0.0725908 1.0466941 1.0239639), wk = 0.0024390 k( 105) = ( 0.0967877 1.0466941 1.0239639), wk = 0.0024390 k( 106) = ( 0.1209846 1.0466941 1.0239639), wk = 0.0024390 k( 107) = ( 0.1451815 1.0466941 1.0239639), wk = 0.0024390 k( 108) = ( 0.1693785 1.0466941 1.0239639), wk = 0.0024390 k( 109) = ( 0.1935754 1.0466941 1.0239639), wk = 0.0024390 k( 110) = ( 0.2177723 1.0466941 1.0239639), wk = 0.0024390 k( 111) = ( 0.2419692 1.0466941 1.0239639), wk = 0.0024390 k( 112) = ( 0.2661661 1.0466941 1.0239639), wk = 0.0024390 k( 113) = ( 0.2661661 1.0466941 1.0239639), wk = 0.0024390 k( 114) = ( 0.2601169 1.0229056 1.0239639), wk = 0.0024390 k( 115) = ( 0.2540677 0.9991171 1.0239639), wk = 0.0024390 k( 116) = ( 0.2480184 0.9753286 1.0239639), wk = 0.0024390 k( 117) = ( 0.2419692 0.9515401 1.0239639), wk = 0.0024390 k( 118) = ( 0.2359200 0.9277516 1.0239639), wk = 0.0024390 k( 119) = ( 0.2298708 0.9039631 1.0239639), wk = 0.0024390 k( 120) = ( 0.2238215 0.8801746 1.0239639), wk = 0.0024390 k( 121) = ( 0.2177723 0.8563861 1.0239639), wk = 0.0024390 k( 122) = ( 0.2117231 0.8325976 1.0239639), wk = 0.0024390 k( 123) = ( 0.2056738 0.8088091 1.0239639), wk = 0.0024390 k( 124) = ( 0.1996246 0.7850206 1.0239639), wk = 0.0024390 k( 125) = ( 0.1935754 0.7612321 1.0239639), wk = 0.0024390 k( 126) = ( 0.1875261 0.7374436 1.0239639), wk = 0.0024390 k( 127) = ( 0.1814769 0.7136551 1.0239639), wk = 0.0024390 k( 128) = ( 0.1754277 0.6898666 1.0239639), wk = 0.0024390 k( 129) = ( 0.1693785 0.6660781 1.0239639), wk = 0.0024390 k( 130) = ( 0.1633292 0.6422896 1.0239639), wk = 0.0024390 k( 131) = ( 0.1572800 0.6185011 1.0239639), wk = 0.0024390 k( 132) = ( 0.1512308 0.5947126 1.0239639), wk = 0.0024390 k( 133) = ( 0.1451815 0.5709241 1.0239639), wk = 0.0024390 k( 134) = ( 0.1391323 0.5471355 1.0239639), wk = 0.0024390 k( 135) = ( 0.1330831 0.5233470 1.0239639), wk = 0.0024390 k( 136) = ( 0.1270338 0.4995585 1.0239639), wk = 0.0024390 k( 137) = ( 0.1209846 0.4757700 1.0239639), wk = 0.0024390 k( 138) = ( 0.1149354 0.4519815 1.0239639), wk = 0.0024390 k( 139) = ( 0.1088861 0.4281930 1.0239639), wk = 0.0024390 k( 140) = ( 0.1028369 0.4044045 1.0239639), wk = 0.0024390 k( 141) = ( 0.0967877 0.3806160 1.0239639), wk = 0.0024390 k( 142) = ( 0.0907384 0.3568275 1.0239639), wk = 0.0024390 k( 143) = ( 0.0846892 0.3330390 1.0239639), wk = 0.0024390 k( 144) = ( 0.0786400 0.3092505 1.0239639), wk = 0.0024390 k( 145) = ( 0.0725908 0.2854620 1.0239639), wk = 0.0024390 k( 146) = ( 0.0665415 0.2616735 1.0239639), wk = 0.0024390 k( 147) = ( 0.0604923 0.2378850 1.0239639), wk = 0.0024390 k( 148) = ( 0.0544431 0.2140965 1.0239639), wk = 0.0024390 k( 149) = ( 0.0483938 0.1903080 1.0239639), wk = 0.0024390 k( 150) = ( 0.0423446 0.1665195 1.0239639), wk = 0.0024390 k( 151) = ( 0.0362954 0.1427310 1.0239639), wk = 0.0024390 k( 152) = ( 0.0302461 0.1189425 1.0239639), wk = 0.0024390 k( 153) = ( 0.0241969 0.0951540 1.0239639), wk = 0.0024390 k( 154) = ( 0.0181477 0.0713655 1.0239639), wk = 0.0024390 k( 155) = ( 0.0120985 0.0475770 1.0239639), wk = 0.0024390 k( 156) = ( 0.0060492 0.0237885 1.0239639), wk = 0.0024390 k( 157) = ( 0.0000000 0.0000000 1.0239639), wk = 0.0024390 k( 158) = ( 0.0000000 0.0000000 1.0239639), wk = 0.0024390 k( 159) = ( 0.0000000 0.0000000 0.9995838), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.9752037), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.9508236), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.9264435), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.9020634), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.8776833), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.8533032), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.8289231), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.8045430), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.7801629), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.7557829), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.7314028), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.7070227), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.6826426), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.6582625), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.6338824), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.6095023), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.5851222), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.5607421), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.5363620), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.5119819), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.4876018), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.4632218), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.4388417), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.4144616), wk = 0.0024390 k( 184) = ( 0.0000000 0.0000000 0.3900815), wk = 0.0024390 k( 185) = ( 0.0000000 0.0000000 0.3657014), wk = 0.0024390 k( 186) = ( 0.0000000 0.0000000 0.3413213), wk = 0.0024390 k( 187) = ( 0.0000000 0.0000000 0.3169412), wk = 0.0024390 k( 188) = ( 0.0000000 0.0000000 0.2925611), wk = 0.0024390 k( 189) = ( 0.0000000 0.0000000 0.2681810), wk = 0.0024390 k( 190) = ( 0.0000000 0.0000000 0.2438009), wk = 0.0024390 k( 191) = ( 0.0000000 0.0000000 0.2194208), wk = 0.0024390 k( 192) = ( 0.0000000 0.0000000 0.1950407), wk = 0.0024390 k( 193) = ( 0.0000000 0.0000000 0.1706606), wk = 0.0024390 k( 194) = ( 0.0000000 0.0000000 0.1462806), wk = 0.0024390 k( 195) = ( 0.0000000 0.0000000 0.1219005), wk = 0.0024390 k( 196) = ( 0.0000000 0.0000000 0.0975204), wk = 0.0024390 k( 197) = ( 0.0000000 0.0000000 0.0731403), wk = 0.0024390 k( 198) = ( 0.0000000 0.0000000 0.0487602), wk = 0.0024390 k( 199) = ( 0.0000000 0.0000000 0.0243801), wk = 0.0024390 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 202) = ( -0.0238095 0.0060546 -0.0000000), wk = 0.0024390 k( 203) = ( -0.0476191 0.0121092 -0.0000000), wk = 0.0024390 k( 204) = ( -0.0714286 0.0181637 0.0000000), wk = 0.0024390 k( 205) = ( -0.0952381 0.0242183 -0.0000000), wk = 0.0024390 k( 206) = ( -0.1190476 0.0302729 -0.0000000), wk = 0.0024390 k( 207) = ( -0.1428571 0.0363275 0.0000000), wk = 0.0024390 k( 208) = ( -0.1666667 0.0423820 -0.0000000), wk = 0.0024390 k( 209) = ( -0.1904762 0.0484366 -0.0000000), wk = 0.0024390 k( 210) = ( -0.2142857 0.0544912 -0.0000000), wk = 0.0024390 k( 211) = ( -0.2380952 0.0605458 -0.0000000), wk = 0.0024390 k( 212) = ( -0.2619048 0.0666003 -0.0000000), wk = 0.0024390 k( 213) = ( -0.2857143 0.0726549 0.0000000), wk = 0.0024390 k( 214) = ( -0.3095238 0.0787095 -0.0000000), wk = 0.0024390 k( 215) = ( -0.3333333 0.0847641 -0.0000000), wk = 0.0024390 k( 216) = ( -0.3571429 0.0908186 0.0000000), wk = 0.0024390 k( 217) = ( -0.3809524 0.0968732 -0.0000000), wk = 0.0024390 k( 218) = ( -0.4047619 0.1029278 0.0000000), wk = 0.0024390 k( 219) = ( -0.4285714 0.1089824 -0.0000000), wk = 0.0024390 k( 220) = ( -0.4523810 0.1150369 -0.0000000), wk = 0.0024390 k( 221) = ( -0.4761905 0.1210915 -0.0000000), wk = 0.0024390 k( 222) = ( -0.5000000 0.1271461 -0.0000000), wk = 0.0024390 k( 223) = ( -0.5000000 0.1271461 -0.0000000), wk = 0.0024390 k( 224) = ( -0.4940043 0.1507242 -0.0000000), wk = 0.0024390 k( 225) = ( -0.4880085 0.1743024 -0.0000000), wk = 0.0024390 k( 226) = ( -0.4820128 0.1978806 -0.0000000), wk = 0.0024390 k( 227) = ( -0.4760170 0.2214587 -0.0000000), wk = 0.0024390 k( 228) = ( -0.4700213 0.2450369 -0.0000000), wk = 0.0024390 k( 229) = ( -0.4640256 0.2686150 -0.0000000), wk = 0.0024390 k( 230) = ( -0.4580298 0.2921932 -0.0000000), wk = 0.0024390 k( 231) = ( -0.4520341 0.3157713 -0.0000000), wk = 0.0024390 k( 232) = ( -0.4460383 0.3393495 -0.0000000), wk = 0.0024390 k( 233) = ( -0.4400426 0.3629276 -0.0000000), wk = 0.0024390 k( 234) = ( -0.4340469 0.3865058 -0.0000000), wk = 0.0024390 k( 235) = ( -0.4280511 0.4100839 -0.0000000), wk = 0.0024390 k( 236) = ( -0.4220554 0.4336621 -0.0000000), wk = 0.0024390 k( 237) = ( -0.4160596 0.4572402 -0.0000000), wk = 0.0024390 k( 238) = ( -0.4100639 0.4808184 -0.0000000), wk = 0.0024390 k( 239) = ( -0.4040682 0.5043965 -0.0000000), wk = 0.0024390 k( 240) = ( -0.3980724 0.5279747 -0.0000000), wk = 0.0024390 k( 241) = ( -0.3920767 0.5515528 -0.0000000), wk = 0.0024390 k( 242) = ( -0.3860809 0.5751310 -0.0000000), wk = 0.0024390 k( 243) = ( -0.3800852 0.5987092 -0.0000000), wk = 0.0024390 k( 244) = ( -0.3740894 0.6222873 -0.0000000), wk = 0.0024390 k( 245) = ( -0.3680937 0.6458655 -0.0000000), wk = 0.0024390 k( 246) = ( -0.3620980 0.6694436 -0.0000000), wk = 0.0024390 k( 247) = ( -0.3561022 0.6930218 -0.0000000), wk = 0.0024390 k( 248) = ( -0.3501065 0.7165999 -0.0000000), wk = 0.0024390 k( 249) = ( -0.3441108 0.7401781 -0.0000000), wk = 0.0024390 k( 250) = ( -0.3381150 0.7637563 -0.0000000), wk = 0.0024390 k( 251) = ( -0.3321193 0.7873344 -0.0000000), wk = 0.0024390 k( 252) = ( -0.3261235 0.8109126 -0.0000000), wk = 0.0024390 k( 253) = ( -0.3201278 0.8344907 -0.0000000), wk = 0.0024390 k( 254) = ( -0.3141320 0.8580689 -0.0000000), wk = 0.0024390 k( 255) = ( -0.3081363 0.8816470 -0.0000000), wk = 0.0024390 k( 256) = ( -0.3021406 0.9052252 -0.0000000), wk = 0.0024390 k( 257) = ( -0.2961448 0.9288033 -0.0000000), wk = 0.0024390 k( 258) = ( -0.2901491 0.9523815 -0.0000000), wk = 0.0024390 k( 259) = ( -0.2841534 0.9759596 -0.0000000), wk = 0.0024390 k( 260) = ( -0.2781576 0.9995378 -0.0000000), wk = 0.0024390 k( 261) = ( -0.2721619 1.0231159 -0.0000000), wk = 0.0024390 k( 262) = ( -0.2661661 1.0466941 -0.0000000), wk = 0.0024390 k( 263) = ( -0.2661661 1.0466941 -0.0000000), wk = 0.0024390 k( 264) = ( -0.2661661 1.0466941 0.0243801), wk = 0.0024390 k( 265) = ( -0.2661661 1.0466941 0.0487602), wk = 0.0024390 k( 266) = ( -0.2661661 1.0466941 0.0731403), wk = 0.0024390 k( 267) = ( -0.2661661 1.0466941 0.0975204), wk = 0.0024390 k( 268) = ( -0.2661661 1.0466941 0.1219005), wk = 0.0024390 k( 269) = ( -0.2661661 1.0466941 0.1462806), wk = 0.0024390 k( 270) = ( -0.2661661 1.0466941 0.1706606), wk = 0.0024390 k( 271) = ( -0.2661661 1.0466941 0.1950407), wk = 0.0024390 k( 272) = ( -0.2661661 1.0466941 0.2194208), wk = 0.0024390 k( 273) = ( -0.2661661 1.0466941 0.2438009), wk = 0.0024390 k( 274) = ( -0.2661661 1.0466941 0.2681810), wk = 0.0024390 k( 275) = ( -0.2661661 1.0466941 0.2925611), wk = 0.0024390 k( 276) = ( -0.2661661 1.0466941 0.3169412), wk = 0.0024390 k( 277) = ( -0.2661661 1.0466941 0.3413213), wk = 0.0024390 k( 278) = ( -0.2661661 1.0466941 0.3657014), wk = 0.0024390 k( 279) = ( -0.2661661 1.0466941 0.3900815), wk = 0.0024390 k( 280) = ( -0.2661661 1.0466941 0.4144616), wk = 0.0024390 k( 281) = ( -0.2661661 1.0466941 0.4388417), wk = 0.0024390 k( 282) = ( -0.2661661 1.0466941 0.4632218), wk = 0.0024390 k( 283) = ( -0.2661661 1.0466941 0.4876018), wk = 0.0024390 k( 284) = ( -0.2661661 1.0466941 0.5119819), wk = 0.0024390 k( 285) = ( -0.2661661 1.0466941 0.5363620), wk = 0.0024390 k( 286) = ( -0.2661661 1.0466941 0.5607421), wk = 0.0024390 k( 287) = ( -0.2661661 1.0466941 0.5851222), wk = 0.0024390 k( 288) = ( -0.2661661 1.0466941 0.6095023), wk = 0.0024390 k( 289) = ( -0.2661661 1.0466941 0.6338824), wk = 0.0024390 k( 290) = ( -0.2661661 1.0466941 0.6582625), wk = 0.0024390 k( 291) = ( -0.2661661 1.0466941 0.6826426), wk = 0.0024390 k( 292) = ( -0.2661661 1.0466941 0.7070227), wk = 0.0024390 k( 293) = ( -0.2661661 1.0466941 0.7314028), wk = 0.0024390 k( 294) = ( -0.2661661 1.0466941 0.7557829), wk = 0.0024390 k( 295) = ( -0.2661661 1.0466941 0.7801629), wk = 0.0024390 k( 296) = ( -0.2661661 1.0466941 0.8045430), wk = 0.0024390 k( 297) = ( -0.2661661 1.0466941 0.8289231), wk = 0.0024390 k( 298) = ( -0.2661661 1.0466941 0.8533032), wk = 0.0024390 k( 299) = ( -0.2661661 1.0466941 0.8776833), wk = 0.0024390 k( 300) = ( -0.2661661 1.0466941 0.9020634), wk = 0.0024390 k( 301) = ( -0.2661661 1.0466941 0.9264435), wk = 0.0024390 k( 302) = ( -0.2661661 1.0466941 0.9508236), wk = 0.0024390 k( 303) = ( -0.2661661 1.0466941 0.9752037), wk = 0.0024390 k( 304) = ( -0.2661661 1.0466941 0.9995838), wk = 0.0024390 k( 305) = ( -0.2661661 1.0466941 1.0239639), wk = 0.0024390 k( 306) = ( -0.2661661 1.0466941 1.0239639), wk = 0.0024390 k( 307) = ( -0.2721619 1.0231159 1.0239639), wk = 0.0024390 k( 308) = ( -0.2781576 0.9995378 1.0239639), wk = 0.0024390 k( 309) = ( -0.2841534 0.9759596 1.0239639), wk = 0.0024390 k( 310) = ( -0.2901491 0.9523815 1.0239639), wk = 0.0024390 k( 311) = ( -0.2961448 0.9288033 1.0239639), wk = 0.0024390 k( 312) = ( -0.3021406 0.9052252 1.0239639), wk = 0.0024390 k( 313) = ( -0.3081363 0.8816470 1.0239639), wk = 0.0024390 k( 314) = ( -0.3141320 0.8580689 1.0239639), wk = 0.0024390 k( 315) = ( -0.3201278 0.8344907 1.0239639), wk = 0.0024390 k( 316) = ( -0.3261235 0.8109126 1.0239639), wk = 0.0024390 k( 317) = ( -0.3321193 0.7873344 1.0239639), wk = 0.0024390 k( 318) = ( -0.3381150 0.7637563 1.0239639), wk = 0.0024390 k( 319) = ( -0.3441108 0.7401781 1.0239639), wk = 0.0024390 k( 320) = ( -0.3501065 0.7165999 1.0239639), wk = 0.0024390 k( 321) = ( -0.3561022 0.6930218 1.0239639), wk = 0.0024390 k( 322) = ( -0.3620980 0.6694436 1.0239639), wk = 0.0024390 k( 323) = ( -0.3680937 0.6458655 1.0239639), wk = 0.0024390 k( 324) = ( -0.3740894 0.6222873 1.0239639), wk = 0.0024390 k( 325) = ( -0.3800852 0.5987092 1.0239639), wk = 0.0024390 k( 326) = ( -0.3860809 0.5751310 1.0239639), wk = 0.0024390 k( 327) = ( -0.3920767 0.5515528 1.0239639), wk = 0.0024390 k( 328) = ( -0.3980724 0.5279747 1.0239639), wk = 0.0024390 k( 329) = ( -0.4040682 0.5043965 1.0239639), wk = 0.0024390 k( 330) = ( -0.4100639 0.4808184 1.0239639), wk = 0.0024390 k( 331) = ( -0.4160596 0.4572402 1.0239639), wk = 0.0024390 k( 332) = ( -0.4220554 0.4336621 1.0239639), wk = 0.0024390 k( 333) = ( -0.4280511 0.4100839 1.0239639), wk = 0.0024390 k( 334) = ( -0.4340469 0.3865058 1.0239639), wk = 0.0024390 k( 335) = ( -0.4400426 0.3629276 1.0239639), wk = 0.0024390 k( 336) = ( -0.4460383 0.3393495 1.0239639), wk = 0.0024390 k( 337) = ( -0.4520341 0.3157713 1.0239639), wk = 0.0024390 k( 338) = ( -0.4580298 0.2921932 1.0239639), wk = 0.0024390 k( 339) = ( -0.4640256 0.2686150 1.0239639), wk = 0.0024390 k( 340) = ( -0.4700213 0.2450369 1.0239639), wk = 0.0024390 k( 341) = ( -0.4760170 0.2214587 1.0239639), wk = 0.0024390 k( 342) = ( -0.4820128 0.1978806 1.0239639), wk = 0.0024390 k( 343) = ( -0.4880085 0.1743024 1.0239639), wk = 0.0024390 k( 344) = ( -0.4940043 0.1507242 1.0239639), wk = 0.0024390 k( 345) = ( -0.5000000 0.1271461 1.0239639), wk = 0.0024390 k( 346) = ( -0.5000000 0.1271461 1.0239639), wk = 0.0024390 k( 347) = ( -0.5000000 0.1271461 0.9995838), wk = 0.0024390 k( 348) = ( -0.5000000 0.1271461 0.9752037), wk = 0.0024390 k( 349) = ( -0.5000000 0.1271461 0.9508236), wk = 0.0024390 k( 350) = ( -0.5000000 0.1271461 0.9264435), wk = 0.0024390 k( 351) = ( -0.5000000 0.1271461 0.9020634), wk = 0.0024390 k( 352) = ( -0.5000000 0.1271461 0.8776833), wk = 0.0024390 k( 353) = ( -0.5000000 0.1271461 0.8533032), wk = 0.0024390 k( 354) = ( -0.5000000 0.1271461 0.8289231), wk = 0.0024390 k( 355) = ( -0.5000000 0.1271461 0.8045430), wk = 0.0024390 k( 356) = ( -0.5000000 0.1271461 0.7801629), wk = 0.0024390 k( 357) = ( -0.5000000 0.1271461 0.7557829), wk = 0.0024390 k( 358) = ( -0.5000000 0.1271461 0.7314028), wk = 0.0024390 k( 359) = ( -0.5000000 0.1271461 0.7070227), wk = 0.0024390 k( 360) = ( -0.5000000 0.1271461 0.6826426), wk = 0.0024390 k( 361) = ( -0.5000000 0.1271461 0.6582625), wk = 0.0024390 k( 362) = ( -0.5000000 0.1271461 0.6338824), wk = 0.0024390 k( 363) = ( -0.5000000 0.1271461 0.6095023), wk = 0.0024390 k( 364) = ( -0.5000000 0.1271461 0.5851222), wk = 0.0024390 k( 365) = ( -0.5000000 0.1271461 0.5607421), wk = 0.0024390 k( 366) = ( -0.5000000 0.1271461 0.5363620), wk = 0.0024390 k( 367) = ( -0.5000000 0.1271461 0.5119819), wk = 0.0024390 k( 368) = ( -0.5000000 0.1271461 0.4876018), wk = 0.0024390 k( 369) = ( -0.5000000 0.1271461 0.4632218), wk = 0.0024390 k( 370) = ( -0.5000000 0.1271461 0.4388417), wk = 0.0024390 k( 371) = ( -0.5000000 0.1271461 0.4144616), wk = 0.0024390 k( 372) = ( -0.5000000 0.1271461 0.3900815), wk = 0.0024390 k( 373) = ( -0.5000000 0.1271461 0.3657014), wk = 0.0024390 k( 374) = ( -0.5000000 0.1271461 0.3413213), wk = 0.0024390 k( 375) = ( -0.5000000 0.1271461 0.3169412), wk = 0.0024390 k( 376) = ( -0.5000000 0.1271461 0.2925611), wk = 0.0024390 k( 377) = ( -0.5000000 0.1271461 0.2681810), wk = 0.0024390 k( 378) = ( -0.5000000 0.1271461 0.2438009), wk = 0.0024390 k( 379) = ( -0.5000000 0.1271461 0.2194208), wk = 0.0024390 k( 380) = ( -0.5000000 0.1271461 0.1950407), wk = 0.0024390 k( 381) = ( -0.5000000 0.1271461 0.1706606), wk = 0.0024390 k( 382) = ( -0.5000000 0.1271461 0.1462806), wk = 0.0024390 k( 383) = ( -0.5000000 0.1271461 0.1219005), wk = 0.0024390 k( 384) = ( -0.5000000 0.1271461 0.0975204), wk = 0.0024390 k( 385) = ( -0.5000000 0.1271461 0.0731403), wk = 0.0024390 k( 386) = ( -0.5000000 0.1271461 0.0487602), wk = 0.0024390 k( 387) = ( -0.5000000 0.1271461 0.0243801), wk = 0.0024390 k( 388) = ( -0.5000000 0.1271461 -0.0000000), wk = 0.0024390 k( 389) = ( 0.0000000 0.0000000 1.0239639), wk = 0.0024390 k( 390) = ( -0.0238095 0.0060546 1.0239639), wk = 0.0024390 k( 391) = ( -0.0476191 0.0121092 1.0239639), wk = 0.0024390 k( 392) = ( -0.0714286 0.0181637 1.0239639), wk = 0.0024390 k( 393) = ( -0.0952381 0.0242183 1.0239639), wk = 0.0024390 k( 394) = ( -0.1190476 0.0302729 1.0239639), wk = 0.0024390 k( 395) = ( -0.1428571 0.0363275 1.0239639), wk = 0.0024390 k( 396) = ( -0.1666667 0.0423820 1.0239639), wk = 0.0024390 k( 397) = ( -0.1904762 0.0484366 1.0239639), wk = 0.0024390 k( 398) = ( -0.2142857 0.0544912 1.0239639), wk = 0.0024390 k( 399) = ( -0.2380952 0.0605458 1.0239639), wk = 0.0024390 k( 400) = ( -0.2619048 0.0666003 1.0239639), wk = 0.0024390 k( 401) = ( -0.2857143 0.0726549 1.0239639), wk = 0.0024390 k( 402) = ( -0.3095238 0.0787095 1.0239639), wk = 0.0024390 k( 403) = ( -0.3333333 0.0847641 1.0239639), wk = 0.0024390 k( 404) = ( -0.3571429 0.0908186 1.0239639), wk = 0.0024390 k( 405) = ( -0.3809524 0.0968732 1.0239639), wk = 0.0024390 k( 406) = ( -0.4047619 0.1029278 1.0239639), wk = 0.0024390 k( 407) = ( -0.4285714 0.1089824 1.0239639), wk = 0.0024390 k( 408) = ( -0.4523810 0.1150369 1.0239639), wk = 0.0024390 k( 409) = ( -0.4761905 0.1210915 1.0239639), wk = 0.0024390 k( 410) = ( -0.5000000 0.1271461 1.0239639), wk = 0.0024390 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 2) = ( 0.0060492 0.0060492 0.0000000), wk = 0.0024390 k( 3) = ( 0.0120985 0.0120985 0.0000000), wk = 0.0024390 k( 4) = ( 0.0181477 0.0181477 -0.0000000), wk = 0.0024390 k( 5) = ( 0.0241969 0.0241969 0.0000000), wk = 0.0024390 k( 6) = ( 0.0302461 0.0302461 -0.0000000), wk = 0.0024390 k( 7) = ( 0.0362954 0.0362954 -0.0000000), wk = 0.0024390 k( 8) = ( 0.0423446 0.0423446 -0.0000000), wk = 0.0024390 k( 9) = ( 0.0483938 0.0483938 0.0000000), wk = 0.0024390 k( 10) = ( 0.0544431 0.0544431 0.0000000), wk = 0.0024390 k( 11) = ( 0.0604923 0.0604923 -0.0000000), wk = 0.0024390 k( 12) = ( 0.0665415 0.0665415 0.0000000), wk = 0.0024390 k( 13) = ( 0.0725908 0.0725908 -0.0000000), wk = 0.0024390 k( 14) = ( 0.0786400 0.0786400 0.0000000), wk = 0.0024390 k( 15) = ( 0.0846892 0.0846892 -0.0000000), wk = 0.0024390 k( 16) = ( 0.0907384 0.0907384 -0.0000000), wk = 0.0024390 k( 17) = ( 0.0967877 0.0967877 0.0000000), wk = 0.0024390 k( 18) = ( 0.1028369 0.1028369 0.0000000), wk = 0.0024390 k( 19) = ( 0.1088861 0.1088861 0.0000000), wk = 0.0024390 k( 20) = ( 0.1149354 0.1149354 0.0000000), wk = 0.0024390 k( 21) = ( 0.1209846 0.1209846 -0.0000000), wk = 0.0024390 k( 22) = ( 0.1270338 0.1270338 0.0000000), wk = 0.0024390 k( 23) = ( 0.1330831 0.1330831 0.0000000), wk = 0.0024390 k( 24) = ( 0.1391323 0.1391323 -0.0000000), wk = 0.0024390 k( 25) = ( 0.1451815 0.1451815 -0.0000000), wk = 0.0024390 k( 26) = ( 0.1512308 0.1512308 0.0000000), wk = 0.0024390 k( 27) = ( 0.1572800 0.1572800 -0.0000000), wk = 0.0024390 k( 28) = ( 0.1633292 0.1633292 0.0000000), wk = 0.0024390 k( 29) = ( 0.1693785 0.1693785 0.0000000), wk = 0.0024390 k( 30) = ( 0.1754277 0.1754277 0.0000000), wk = 0.0024390 k( 31) = ( 0.1814769 0.1814769 0.0000000), wk = 0.0024390 k( 32) = ( 0.1875261 0.1875261 0.0000000), wk = 0.0024390 k( 33) = ( 0.1935754 0.1935754 0.0000000), wk = 0.0024390 k( 34) = ( 0.1996246 0.1996246 0.0000000), wk = 0.0024390 k( 35) = ( 0.2056738 0.2056738 -0.0000000), wk = 0.0024390 k( 36) = ( 0.2117231 0.2117231 0.0000000), wk = 0.0024390 k( 37) = ( 0.2177723 0.2177723 0.0000000), wk = 0.0024390 k( 38) = ( 0.2238215 0.2238215 -0.0000000), wk = 0.0024390 k( 39) = ( 0.2298708 0.2298708 -0.0000000), wk = 0.0024390 k( 40) = ( 0.2359200 0.2359200 0.0000000), wk = 0.0024390 k( 41) = ( 0.2419692 0.2419692 -0.0000000), wk = 0.0024390 k( 42) = ( 0.2480184 0.2480184 0.0000000), wk = 0.0024390 k( 43) = ( 0.2540677 0.2540677 0.0000000), wk = 0.0024390 k( 44) = ( 0.2601169 0.2601169 0.0000000), wk = 0.0024390 k( 45) = ( 0.2661661 0.2661661 0.0000000), wk = 0.0024390 k( 46) = ( 0.2661661 0.2661661 0.0000000), wk = 0.0024390 k( 47) = ( 0.2419692 0.2874237 -0.0000000), wk = 0.0024390 k( 48) = ( 0.2177723 0.3086814 -0.0000000), wk = 0.0024390 k( 49) = ( 0.1935754 0.3299390 0.0000000), wk = 0.0024390 k( 50) = ( 0.1693785 0.3511966 -0.0000000), wk = 0.0024390 k( 51) = ( 0.1451815 0.3724542 0.0000000), wk = 0.0024390 k( 52) = ( 0.1209846 0.3937119 0.0000000), wk = 0.0024390 k( 53) = ( 0.0967877 0.4149695 0.0000000), wk = 0.0024390 k( 54) = ( 0.0725908 0.4362271 0.0000000), wk = 0.0024390 k( 55) = ( 0.0483938 0.4574848 0.0000000), wk = 0.0024390 k( 56) = ( 0.0241969 0.4787424 0.0000000), wk = 0.0024390 k( 57) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024390 k( 58) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024390 k( 59) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0024390 k( 60) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0024390 k( 61) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0024390 k( 62) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0024390 k( 63) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0024390 k( 64) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0024390 k( 65) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0024390 k( 66) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0024390 k( 67) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0024390 k( 68) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0024390 k( 69) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0024390 k( 70) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0024390 k( 71) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0024390 k( 72) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024390 k( 73) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0024390 k( 74) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0024390 k( 75) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0024390 k( 76) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0024390 k( 77) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0024390 k( 78) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0024390 k( 79) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024390 k( 80) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0024390 k( 81) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0024390 k( 82) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0024390 k( 83) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0024390 k( 84) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0024390 k( 85) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0024390 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024390 k( 87) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0024390 k( 88) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0024390 k( 89) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0024390 k( 90) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0024390 k( 91) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0024390 k( 92) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0024390 k( 93) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0024390 k( 94) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0024390 k( 95) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0024390 k( 96) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0024390 k( 97) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0024390 k( 98) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0024390 k( 99) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0024390 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024390 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024390 k( 102) = ( 0.0241969 0.4787424 0.5000000), wk = 0.0024390 k( 103) = ( 0.0483938 0.4574848 0.5000000), wk = 0.0024390 k( 104) = ( 0.0725908 0.4362271 0.5000000), wk = 0.0024390 k( 105) = ( 0.0967877 0.4149695 0.5000000), wk = 0.0024390 k( 106) = ( 0.1209846 0.3937119 0.5000000), wk = 0.0024390 k( 107) = ( 0.1451815 0.3724542 0.5000000), wk = 0.0024390 k( 108) = ( 0.1693785 0.3511966 0.5000000), wk = 0.0024390 k( 109) = ( 0.1935754 0.3299390 0.5000000), wk = 0.0024390 k( 110) = ( 0.2177723 0.3086814 0.5000000), wk = 0.0024390 k( 111) = ( 0.2419692 0.2874237 0.5000000), wk = 0.0024390 k( 112) = ( 0.2661661 0.2661661 0.5000000), wk = 0.0024390 k( 113) = ( 0.2661661 0.2661661 0.5000000), wk = 0.0024390 k( 114) = ( 0.2601169 0.2601169 0.5000000), wk = 0.0024390 k( 115) = ( 0.2540677 0.2540677 0.5000000), wk = 0.0024390 k( 116) = ( 0.2480184 0.2480184 0.5000000), wk = 0.0024390 k( 117) = ( 0.2419692 0.2419692 0.5000000), wk = 0.0024390 k( 118) = ( 0.2359200 0.2359200 0.5000000), wk = 0.0024390 k( 119) = ( 0.2298708 0.2298708 0.5000000), wk = 0.0024390 k( 120) = ( 0.2238215 0.2238215 0.5000000), wk = 0.0024390 k( 121) = ( 0.2177723 0.2177723 0.5000000), wk = 0.0024390 k( 122) = ( 0.2117231 0.2117231 0.5000000), wk = 0.0024390 k( 123) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0024390 k( 124) = ( 0.1996246 0.1996246 0.5000000), wk = 0.0024390 k( 125) = ( 0.1935754 0.1935754 0.5000000), wk = 0.0024390 k( 126) = ( 0.1875261 0.1875261 0.5000000), wk = 0.0024390 k( 127) = ( 0.1814769 0.1814769 0.5000000), wk = 0.0024390 k( 128) = ( 0.1754277 0.1754277 0.5000000), wk = 0.0024390 k( 129) = ( 0.1693785 0.1693785 0.5000000), wk = 0.0024390 k( 130) = ( 0.1633292 0.1633292 0.5000000), wk = 0.0024390 k( 131) = ( 0.1572800 0.1572800 0.5000000), wk = 0.0024390 k( 132) = ( 0.1512308 0.1512308 0.5000000), wk = 0.0024390 k( 133) = ( 0.1451815 0.1451815 0.5000000), wk = 0.0024390 k( 134) = ( 0.1391323 0.1391323 0.5000000), wk = 0.0024390 k( 135) = ( 0.1330831 0.1330831 0.5000000), wk = 0.0024390 k( 136) = ( 0.1270338 0.1270338 0.5000000), wk = 0.0024390 k( 137) = ( 0.1209846 0.1209846 0.5000000), wk = 0.0024390 k( 138) = ( 0.1149354 0.1149354 0.5000000), wk = 0.0024390 k( 139) = ( 0.1088861 0.1088861 0.5000000), wk = 0.0024390 k( 140) = ( 0.1028369 0.1028369 0.5000000), wk = 0.0024390 k( 141) = ( 0.0967877 0.0967877 0.5000000), wk = 0.0024390 k( 142) = ( 0.0907384 0.0907384 0.5000000), wk = 0.0024390 k( 143) = ( 0.0846892 0.0846892 0.5000000), wk = 0.0024390 k( 144) = ( 0.0786400 0.0786400 0.5000000), wk = 0.0024390 k( 145) = ( 0.0725908 0.0725908 0.5000000), wk = 0.0024390 k( 146) = ( 0.0665415 0.0665415 0.5000000), wk = 0.0024390 k( 147) = ( 0.0604923 0.0604923 0.5000000), wk = 0.0024390 k( 148) = ( 0.0544431 0.0544431 0.5000000), wk = 0.0024390 k( 149) = ( 0.0483938 0.0483938 0.5000000), wk = 0.0024390 k( 150) = ( 0.0423446 0.0423446 0.5000000), wk = 0.0024390 k( 151) = ( 0.0362954 0.0362954 0.5000000), wk = 0.0024390 k( 152) = ( 0.0302461 0.0302461 0.5000000), wk = 0.0024390 k( 153) = ( 0.0241969 0.0241969 0.5000000), wk = 0.0024390 k( 154) = ( 0.0181477 0.0181477 0.5000000), wk = 0.0024390 k( 155) = ( 0.0120985 0.0120985 0.5000000), wk = 0.0024390 k( 156) = ( 0.0060492 0.0060492 0.5000000), wk = 0.0024390 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 159) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0024390 k( 160) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0024390 k( 161) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0024390 k( 162) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0024390 k( 163) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0024390 k( 164) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024390 k( 165) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024390 k( 166) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0024390 k( 167) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0024390 k( 168) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0024390 k( 169) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0024390 k( 170) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024390 k( 171) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0024390 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024390 k( 173) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0024390 k( 174) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0024390 k( 175) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0024390 k( 176) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024390 k( 177) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0024390 k( 178) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0024390 k( 179) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024390 k( 180) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0024390 k( 181) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0024390 k( 182) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024390 k( 183) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0024390 k( 184) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0024390 k( 185) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0024390 k( 186) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024390 k( 187) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0024390 k( 188) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024390 k( 189) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0024390 k( 190) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0024390 k( 191) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0024390 k( 192) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0024390 k( 193) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024390 k( 194) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024390 k( 195) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0024390 k( 196) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0024390 k( 197) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0024390 k( 198) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0024390 k( 199) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0024390 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024390 k( 202) = ( -0.0238095 0.0238095 0.0000000), wk = 0.0024390 k( 203) = ( -0.0476191 0.0476191 0.0000000), wk = 0.0024390 k( 204) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0024390 k( 205) = ( -0.0952381 0.0952381 0.0000000), wk = 0.0024390 k( 206) = ( -0.1190476 0.1190476 0.0000000), wk = 0.0024390 k( 207) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0024390 k( 208) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0024390 k( 209) = ( -0.1904762 0.1904762 0.0000000), wk = 0.0024390 k( 210) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0024390 k( 211) = ( -0.2380952 0.2380952 0.0000000), wk = 0.0024390 k( 212) = ( -0.2619048 0.2619048 0.0000000), wk = 0.0024390 k( 213) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0024390 k( 214) = ( -0.3095238 0.3095238 -0.0000000), wk = 0.0024390 k( 215) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0024390 k( 216) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0024390 k( 217) = ( -0.3809524 0.3809524 0.0000000), wk = 0.0024390 k( 218) = ( -0.4047619 0.4047619 0.0000000), wk = 0.0024390 k( 219) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0024390 k( 220) = ( -0.4523810 0.4523810 0.0000000), wk = 0.0024390 k( 221) = ( -0.4761905 0.4761905 0.0000000), wk = 0.0024390 k( 222) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024390 k( 223) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024390 k( 224) = ( -0.4940043 0.5059957 0.0000000), wk = 0.0024390 k( 225) = ( -0.4880085 0.5119915 0.0000000), wk = 0.0024390 k( 226) = ( -0.4820128 0.5179872 0.0000000), wk = 0.0024390 k( 227) = ( -0.4760170 0.5239830 0.0000000), wk = 0.0024390 k( 228) = ( -0.4700213 0.5299787 0.0000000), wk = 0.0024390 k( 229) = ( -0.4640256 0.5359744 0.0000000), wk = 0.0024390 k( 230) = ( -0.4580298 0.5419702 0.0000000), wk = 0.0024390 k( 231) = ( -0.4520341 0.5479659 -0.0000000), wk = 0.0024390 k( 232) = ( -0.4460383 0.5539617 0.0000000), wk = 0.0024390 k( 233) = ( -0.4400426 0.5599574 0.0000000), wk = 0.0024390 k( 234) = ( -0.4340469 0.5659531 0.0000000), wk = 0.0024390 k( 235) = ( -0.4280511 0.5719489 0.0000000), wk = 0.0024390 k( 236) = ( -0.4220554 0.5779446 0.0000000), wk = 0.0024390 k( 237) = ( -0.4160596 0.5839404 0.0000000), wk = 0.0024390 k( 238) = ( -0.4100639 0.5899361 0.0000000), wk = 0.0024390 k( 239) = ( -0.4040682 0.5959318 0.0000000), wk = 0.0024390 k( 240) = ( -0.3980724 0.6019276 0.0000000), wk = 0.0024390 k( 241) = ( -0.3920767 0.6079233 0.0000000), wk = 0.0024390 k( 242) = ( -0.3860809 0.6139191 0.0000000), wk = 0.0024390 k( 243) = ( -0.3800852 0.6199148 0.0000000), wk = 0.0024390 k( 244) = ( -0.3740894 0.6259106 0.0000000), wk = 0.0024390 k( 245) = ( -0.3680937 0.6319063 0.0000000), wk = 0.0024390 k( 246) = ( -0.3620980 0.6379020 0.0000000), wk = 0.0024390 k( 247) = ( -0.3561022 0.6438978 0.0000000), wk = 0.0024390 k( 248) = ( -0.3501065 0.6498935 -0.0000000), wk = 0.0024390 k( 249) = ( -0.3441108 0.6558892 0.0000000), wk = 0.0024390 k( 250) = ( -0.3381150 0.6618850 0.0000000), wk = 0.0024390 k( 251) = ( -0.3321193 0.6678807 0.0000000), wk = 0.0024390 k( 252) = ( -0.3261235 0.6738765 -0.0000000), wk = 0.0024390 k( 253) = ( -0.3201278 0.6798722 0.0000000), wk = 0.0024390 k( 254) = ( -0.3141320 0.6858680 -0.0000000), wk = 0.0024390 k( 255) = ( -0.3081363 0.6918637 0.0000000), wk = 0.0024390 k( 256) = ( -0.3021406 0.6978594 0.0000000), wk = 0.0024390 k( 257) = ( -0.2961448 0.7038552 0.0000000), wk = 0.0024390 k( 258) = ( -0.2901491 0.7098509 0.0000000), wk = 0.0024390 k( 259) = ( -0.2841534 0.7158467 0.0000000), wk = 0.0024390 k( 260) = ( -0.2781576 0.7218424 0.0000000), wk = 0.0024390 k( 261) = ( -0.2721619 0.7278381 0.0000000), wk = 0.0024390 k( 262) = ( -0.2661661 0.7338339 0.0000000), wk = 0.0024390 k( 263) = ( -0.2661661 0.7338339 0.0000000), wk = 0.0024390 k( 264) = ( -0.2661661 0.7338339 0.0119048), wk = 0.0024390 k( 265) = ( -0.2661661 0.7338339 0.0238095), wk = 0.0024390 k( 266) = ( -0.2661661 0.7338339 0.0357143), wk = 0.0024390 k( 267) = ( -0.2661661 0.7338339 0.0476191), wk = 0.0024390 k( 268) = ( -0.2661661 0.7338339 0.0595238), wk = 0.0024390 k( 269) = ( -0.2661661 0.7338339 0.0714286), wk = 0.0024390 k( 270) = ( -0.2661661 0.7338339 0.0833333), wk = 0.0024390 k( 271) = ( -0.2661661 0.7338339 0.0952381), wk = 0.0024390 k( 272) = ( -0.2661661 0.7338339 0.1071429), wk = 0.0024390 k( 273) = ( -0.2661661 0.7338339 0.1190476), wk = 0.0024390 k( 274) = ( -0.2661661 0.7338339 0.1309524), wk = 0.0024390 k( 275) = ( -0.2661661 0.7338339 0.1428571), wk = 0.0024390 k( 276) = ( -0.2661661 0.7338339 0.1547619), wk = 0.0024390 k( 277) = ( -0.2661661 0.7338339 0.1666667), wk = 0.0024390 k( 278) = ( -0.2661661 0.7338339 0.1785714), wk = 0.0024390 k( 279) = ( -0.2661661 0.7338339 0.1904762), wk = 0.0024390 k( 280) = ( -0.2661661 0.7338339 0.2023810), wk = 0.0024390 k( 281) = ( -0.2661661 0.7338339 0.2142857), wk = 0.0024390 k( 282) = ( -0.2661661 0.7338339 0.2261905), wk = 0.0024390 k( 283) = ( -0.2661661 0.7338339 0.2380952), wk = 0.0024390 k( 284) = ( -0.2661661 0.7338339 0.2500000), wk = 0.0024390 k( 285) = ( -0.2661661 0.7338339 0.2619048), wk = 0.0024390 k( 286) = ( -0.2661661 0.7338339 0.2738095), wk = 0.0024390 k( 287) = ( -0.2661661 0.7338339 0.2857143), wk = 0.0024390 k( 288) = ( -0.2661661 0.7338339 0.2976190), wk = 0.0024390 k( 289) = ( -0.2661661 0.7338339 0.3095238), wk = 0.0024390 k( 290) = ( -0.2661661 0.7338339 0.3214286), wk = 0.0024390 k( 291) = ( -0.2661661 0.7338339 0.3333333), wk = 0.0024390 k( 292) = ( -0.2661661 0.7338339 0.3452381), wk = 0.0024390 k( 293) = ( -0.2661661 0.7338339 0.3571429), wk = 0.0024390 k( 294) = ( -0.2661661 0.7338339 0.3690476), wk = 0.0024390 k( 295) = ( -0.2661661 0.7338339 0.3809524), wk = 0.0024390 k( 296) = ( -0.2661661 0.7338339 0.3928571), wk = 0.0024390 k( 297) = ( -0.2661661 0.7338339 0.4047619), wk = 0.0024390 k( 298) = ( -0.2661661 0.7338339 0.4166667), wk = 0.0024390 k( 299) = ( -0.2661661 0.7338339 0.4285714), wk = 0.0024390 k( 300) = ( -0.2661661 0.7338339 0.4404762), wk = 0.0024390 k( 301) = ( -0.2661661 0.7338339 0.4523809), wk = 0.0024390 k( 302) = ( -0.2661661 0.7338339 0.4642857), wk = 0.0024390 k( 303) = ( -0.2661661 0.7338339 0.4761905), wk = 0.0024390 k( 304) = ( -0.2661661 0.7338339 0.4880952), wk = 0.0024390 k( 305) = ( -0.2661661 0.7338339 0.5000000), wk = 0.0024390 k( 306) = ( -0.2661661 0.7338339 0.5000000), wk = 0.0024390 k( 307) = ( -0.2721619 0.7278381 0.5000000), wk = 0.0024390 k( 308) = ( -0.2781576 0.7218424 0.5000000), wk = 0.0024390 k( 309) = ( -0.2841534 0.7158467 0.5000000), wk = 0.0024390 k( 310) = ( -0.2901491 0.7098509 0.5000000), wk = 0.0024390 k( 311) = ( -0.2961448 0.7038552 0.5000000), wk = 0.0024390 k( 312) = ( -0.3021406 0.6978594 0.5000000), wk = 0.0024390 k( 313) = ( -0.3081363 0.6918637 0.5000000), wk = 0.0024390 k( 314) = ( -0.3141320 0.6858680 0.5000000), wk = 0.0024390 k( 315) = ( -0.3201278 0.6798722 0.5000000), wk = 0.0024390 k( 316) = ( -0.3261235 0.6738765 0.5000000), wk = 0.0024390 k( 317) = ( -0.3321193 0.6678807 0.5000000), wk = 0.0024390 k( 318) = ( -0.3381150 0.6618850 0.5000000), wk = 0.0024390 k( 319) = ( -0.3441108 0.6558892 0.5000000), wk = 0.0024390 k( 320) = ( -0.3501065 0.6498935 0.5000000), wk = 0.0024390 k( 321) = ( -0.3561022 0.6438978 0.5000000), wk = 0.0024390 k( 322) = ( -0.3620980 0.6379020 0.5000000), wk = 0.0024390 k( 323) = ( -0.3680937 0.6319063 0.5000000), wk = 0.0024390 k( 324) = ( -0.3740894 0.6259106 0.5000000), wk = 0.0024390 k( 325) = ( -0.3800852 0.6199148 0.5000000), wk = 0.0024390 k( 326) = ( -0.3860809 0.6139191 0.5000000), wk = 0.0024390 k( 327) = ( -0.3920767 0.6079233 0.5000000), wk = 0.0024390 k( 328) = ( -0.3980724 0.6019276 0.5000000), wk = 0.0024390 k( 329) = ( -0.4040682 0.5959318 0.5000000), wk = 0.0024390 k( 330) = ( -0.4100639 0.5899361 0.5000000), wk = 0.0024390 k( 331) = ( -0.4160596 0.5839404 0.5000000), wk = 0.0024390 k( 332) = ( -0.4220554 0.5779446 0.5000000), wk = 0.0024390 k( 333) = ( -0.4280511 0.5719489 0.5000000), wk = 0.0024390 k( 334) = ( -0.4340469 0.5659531 0.5000000), wk = 0.0024390 k( 335) = ( -0.4400426 0.5599574 0.5000000), wk = 0.0024390 k( 336) = ( -0.4460383 0.5539617 0.5000000), wk = 0.0024390 k( 337) = ( -0.4520341 0.5479659 0.5000000), wk = 0.0024390 k( 338) = ( -0.4580298 0.5419702 0.5000000), wk = 0.0024390 k( 339) = ( -0.4640256 0.5359744 0.5000000), wk = 0.0024390 k( 340) = ( -0.4700213 0.5299787 0.5000000), wk = 0.0024390 k( 341) = ( -0.4760170 0.5239830 0.5000000), wk = 0.0024390 k( 342) = ( -0.4820128 0.5179872 0.5000000), wk = 0.0024390 k( 343) = ( -0.4880085 0.5119915 0.5000000), wk = 0.0024390 k( 344) = ( -0.4940043 0.5059957 0.5000000), wk = 0.0024390 k( 345) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024390 k( 346) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024390 k( 347) = ( -0.5000000 0.5000000 0.4880952), wk = 0.0024390 k( 348) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0024390 k( 349) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0024390 k( 350) = ( -0.5000000 0.5000000 0.4523809), wk = 0.0024390 k( 351) = ( -0.5000000 0.5000000 0.4404762), wk = 0.0024390 k( 352) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0024390 k( 353) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0024390 k( 354) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0024390 k( 355) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0024390 k( 356) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0024390 k( 357) = ( -0.5000000 0.5000000 0.3690476), wk = 0.0024390 k( 358) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0024390 k( 359) = ( -0.5000000 0.5000000 0.3452381), wk = 0.0024390 k( 360) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0024390 k( 361) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0024390 k( 362) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0024390 k( 363) = ( -0.5000000 0.5000000 0.2976190), wk = 0.0024390 k( 364) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0024390 k( 365) = ( -0.5000000 0.5000000 0.2738095), wk = 0.0024390 k( 366) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0024390 k( 367) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024390 k( 368) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0024390 k( 369) = ( -0.5000000 0.5000000 0.2261905), wk = 0.0024390 k( 370) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0024390 k( 371) = ( -0.5000000 0.5000000 0.2023810), wk = 0.0024390 k( 372) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0024390 k( 373) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0024390 k( 374) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0024390 k( 375) = ( -0.5000000 0.5000000 0.1547619), wk = 0.0024390 k( 376) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0024390 k( 377) = ( -0.5000000 0.5000000 0.1309524), wk = 0.0024390 k( 378) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0024390 k( 379) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0024390 k( 380) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0024390 k( 381) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0024390 k( 382) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0024390 k( 383) = ( -0.5000000 0.5000000 0.0595238), wk = 0.0024390 k( 384) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0024390 k( 385) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0024390 k( 386) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0024390 k( 387) = ( -0.5000000 0.5000000 0.0119048), wk = 0.0024390 k( 388) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024390 k( 389) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024390 k( 390) = ( -0.0238095 0.0238095 0.5000000), wk = 0.0024390 k( 391) = ( -0.0476191 0.0476191 0.5000000), wk = 0.0024390 k( 392) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0024390 k( 393) = ( -0.0952381 0.0952381 0.5000000), wk = 0.0024390 k( 394) = ( -0.1190476 0.1190476 0.5000000), wk = 0.0024390 k( 395) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0024390 k( 396) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0024390 k( 397) = ( -0.1904762 0.1904762 0.5000000), wk = 0.0024390 k( 398) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0024390 k( 399) = ( -0.2380952 0.2380952 0.5000000), wk = 0.0024390 k( 400) = ( -0.2619048 0.2619048 0.5000000), wk = 0.0024390 k( 401) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0024390 k( 402) = ( -0.3095238 0.3095238 0.5000000), wk = 0.0024390 k( 403) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0024390 k( 404) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0024390 k( 405) = ( -0.3809524 0.3809524 0.5000000), wk = 0.0024390 k( 406) = ( -0.4047619 0.4047619 0.5000000), wk = 0.0024390 k( 407) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0024390 k( 408) = ( -0.4523810 0.4523810 0.5000000), wk = 0.0024390 k( 409) = ( -0.4761905 0.4761905 0.5000000), wk = 0.0024390 k( 410) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024390 Dense grid: 53583 G-vectors FFT dimensions: ( 75, 75, 40) Smooth grid: 32791 G-vectors FFT dimensions: ( 72, 72, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 184, 48) NL pseudopotentials 0.17 Mb ( 92, 124) Each V/rho on FFT grid 0.09 Mb ( 5625) Each G-vector array 0.01 Mb ( 1115) G-vector shells 0.00 Mb ( 580) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 184, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./HfGe2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.2 secs Computing kpt #: 2 total cpu time spent up to now is 44.3 secs Computing kpt #: 3 total cpu time spent up to now is 46.5 secs Computing kpt #: 4 total cpu time spent up to now is 48.4 secs Computing kpt #: 5 total cpu time spent up to now is 50.8 secs Computing kpt #: 6 total cpu time spent up to now is 52.6 secs Computing kpt #: 7 total cpu time spent up to now is 54.3 secs Computing kpt #: 8 total cpu time spent up to now is 56.1 secs Computing kpt #: 9 total cpu time spent up to now is 58.0 secs Computing kpt #: 10 total cpu time spent up to now is 59.9 secs Computing kpt #: 11 total cpu time spent up to now is 61.7 secs Computing kpt #: 12 total cpu time spent up to now is 63.5 secs Computing kpt #: 13 total cpu time spent up to now is 65.4 secs Computing kpt #: 14 total cpu time spent up to now is 67.5 secs Computing kpt #: 15 total cpu time spent up to now is 69.6 secs Computing kpt #: 16 total cpu time spent up to now is 71.4 secs Computing kpt #: 17 total cpu time spent up to now is 73.2 secs Computing kpt #: 18 total cpu time spent up to now is 75.0 secs Computing kpt #: 19 total cpu time spent up to now is 76.7 secs Computing kpt #: 20 total cpu time spent up to now is 78.8 secs Computing kpt #: 21 total cpu time spent up to now is 80.4 secs Computing kpt #: 22 total cpu time spent up to now is 82.1 secs Computing kpt #: 23 total cpu time spent up to now is 83.8 secs Computing kpt #: 24 total cpu time spent up to now is 85.4 secs Computing kpt #: 25 total cpu time spent up to now is 87.2 secs Computing kpt #: 26 total cpu time spent up to now is 89.3 secs Computing kpt #: 27 total cpu time spent up to now is 90.9 secs Computing kpt #: 28 total cpu time spent up to now is 92.7 secs Computing kpt #: 29 total cpu time spent up to now is 94.7 secs Computing kpt #: 30 total cpu time spent up to now is 97.0 secs Computing kpt #: 31 total cpu time spent up to now is 98.8 secs Computing kpt #: 32 total cpu time spent up to now is 100.6 secs Computing kpt #: 33 total cpu time spent up to now is 102.6 secs Computing kpt #: 34 total cpu time spent up to now is 104.1 secs Computing kpt #: 35 total cpu time spent up to now is 105.9 secs Computing kpt #: 36 total cpu time spent up to now is 107.3 secs Computing kpt #: 37 total cpu time spent up to now is 109.4 secs Computing kpt #: 38 total cpu time spent up to now is 110.9 secs Computing kpt #: 39 total cpu time spent up to now is 112.3 secs Computing kpt #: 40 total cpu time spent up to now is 113.7 secs Computing kpt #: 41 total cpu time spent up to now is 115.1 secs Computing kpt #: 42 total cpu time spent up to now is 116.5 secs Computing kpt #: 43 total cpu time spent up to now is 117.9 secs Computing kpt #: 44 total cpu time spent up to now is 119.7 secs Computing kpt #: 45 total cpu time spent up to now is 121.9 secs Computing kpt #: 46 total cpu time spent up to now is 123.7 secs Computing kpt #: 47 total cpu time spent up to now is 125.4 secs Computing kpt #: 48 total cpu time spent up to now is 127.0 secs Computing kpt #: 49 total cpu time spent up to now is 128.6 secs Computing kpt #: 50 total cpu time spent up to now is 130.4 secs Computing kpt #: 51 total cpu time spent up to now is 132.0 secs Computing kpt #: 52 total cpu time spent up to now is 133.7 secs Computing kpt #: 53 total cpu time spent up to now is 135.2 secs Computing kpt #: 54 total cpu time spent up to now is 136.8 secs Computing kpt #: 55 total cpu time spent up to now is 138.4 secs Computing kpt #: 56 total cpu time spent up to now is 140.0 secs Computing kpt #: 57 total cpu time spent up to now is 141.7 secs Computing kpt #: 58 total cpu time spent up to now is 144.1 secs Computing kpt #: 59 total cpu time spent up to now is 145.5 secs Computing kpt #: 60 total cpu time spent up to now is 147.2 secs Computing kpt #: 61 total cpu time spent up to now is 149.6 secs Computing kpt #: 62 total cpu time spent up to now is 151.2 secs Computing kpt #: 63 total cpu time spent up to now is 152.7 secs Computing kpt #: 64 total cpu time spent up to now is 154.4 secs Computing kpt #: 65 total cpu time spent up to now is 155.9 secs Computing kpt #: 66 total cpu time spent up to now is 157.6 secs Computing kpt #: 67 total cpu time spent up to now is 159.3 secs Computing kpt #: 68 total cpu time spent up to now is 160.9 secs Computing kpt #: 69 total cpu time spent up to now is 163.1 secs Computing kpt #: 70 total cpu time spent up to now is 164.7 secs Computing kpt #: 71 total cpu time spent up to now is 166.4 secs Computing kpt #: 72 total cpu time spent up to now is 168.0 secs Computing kpt #: 73 total cpu time spent up to now is 169.6 secs Computing kpt #: 74 total cpu time spent up to now is 171.7 secs Computing kpt #: 75 total cpu time spent up to now is 173.4 secs Computing kpt #: 76 total cpu time spent up to now is 175.1 secs Computing kpt #: 77 total cpu time spent up to now is 176.8 secs Computing kpt #: 78 total cpu time spent up to now is 178.7 secs Computing kpt #: 79 total cpu time spent up to now is 180.7 secs Computing kpt #: 80 total cpu time spent up to now is 183.1 secs Computing kpt #: 81 total cpu time spent up to now is 185.5 secs Computing kpt #: 82 total cpu time spent up to now is 187.9 secs Computing kpt #: 83 total cpu time spent up to now is 190.4 secs Computing kpt #: 84 total cpu time spent up to now is 192.7 secs Computing kpt #: 85 total cpu time spent up to now is 195.0 secs Computing kpt #: 86 total cpu time spent up to now is 197.2 secs Computing kpt #: 87 total cpu time spent up to now is 198.9 secs Computing kpt #: 88 total cpu time spent up to now is 200.4 secs Computing kpt #: 89 total cpu time spent up to now is 202.0 secs Computing kpt #: 90 total cpu time spent up to now is 203.7 secs Computing kpt #: 91 total cpu time spent up to now is 205.3 secs Computing kpt #: 92 total cpu time spent up to now is 206.9 secs Computing kpt #: 93 total cpu time spent up to now is 208.5 secs Computing kpt #: 94 total cpu time spent up to now is 210.4 secs Computing kpt #: 95 total cpu time spent up to now is 212.0 secs Computing kpt #: 96 total cpu time spent up to now is 213.7 secs Computing kpt #: 97 total cpu time spent up to now is 215.4 secs Computing kpt #: 98 total cpu time spent up to now is 217.0 secs Computing kpt #: 99 total cpu time spent up to now is 218.6 secs Computing kpt #: 100 total cpu time spent up to now is 220.2 secs Computing kpt #: 101 total cpu time spent up to now is 221.7 secs Computing kpt #: 102 total cpu time spent up to now is 223.3 secs Computing kpt #: 103 total cpu time spent up to now is 225.1 secs Computing kpt #: 104 total cpu time spent up to now is 226.7 secs Computing kpt #: 105 total cpu time spent up to now is 228.2 secs Computing kpt #: 106 total cpu time spent up to now is 229.8 secs Computing kpt #: 107 total cpu time spent up to now is 231.4 secs Computing kpt #: 108 total cpu time spent up to now is 232.9 secs Computing kpt #: 109 total cpu time spent up to now is 234.5 secs Computing kpt #: 110 total cpu time spent up to now is 236.2 secs Computing kpt #: 111 total cpu time spent up to now is 237.8 secs Computing kpt #: 112 total cpu time spent up to now is 239.4 secs Computing kpt #: 113 total cpu time spent up to now is 240.9 secs Computing kpt #: 114 total cpu time spent up to now is 242.3 secs Computing kpt #: 115 total cpu time spent up to now is 243.7 secs Computing kpt #: 116 total cpu time spent up to now is 245.2 secs Computing kpt #: 117 total cpu time spent up to now is 246.8 secs Computing kpt #: 118 total cpu time spent up to now is 248.4 secs Computing kpt #: 119 total cpu time spent up to now is 250.0 secs Computing kpt #: 120 total cpu time spent up to now is 251.7 secs Computing kpt #: 121 total cpu time spent up to now is 253.9 secs Computing kpt #: 122 total cpu time spent up to now is 256.1 secs Computing kpt #: 123 total cpu time spent up to now is 257.9 secs Computing kpt #: 124 total cpu time spent up to now is 259.6 secs Computing kpt #: 125 total cpu time spent up to now is 261.3 secs Computing kpt #: 126 total cpu time spent up to now is 263.0 secs Computing kpt #: 127 total cpu time spent up to now is 264.8 secs Computing kpt #: 128 total cpu time spent up to now is 266.8 secs Computing kpt #: 129 total cpu time spent up to now is 269.3 secs Computing kpt #: 130 total cpu time spent up to now is 270.8 secs Computing kpt #: 131 total cpu time spent up to now is 272.7 secs Computing kpt #: 132 total cpu time spent up to now is 274.3 secs Computing kpt #: 133 total cpu time spent up to now is 276.4 secs Computing kpt #: 134 total cpu time spent up to now is 278.4 secs Computing kpt #: 135 total cpu time spent up to now is 280.0 secs Computing kpt #: 136 total cpu time spent up to now is 282.2 secs Computing kpt #: 137 total cpu time spent up to now is 284.1 secs Computing kpt #: 138 total cpu time spent up to now is 285.7 secs Computing kpt #: 139 total cpu time spent up to now is 288.6 secs Computing kpt #: 140 total cpu time spent up to now is 290.8 secs Computing kpt #: 141 total cpu time spent up to now is 292.6 secs Computing kpt #: 142 total cpu time spent up to now is 294.7 secs Computing kpt #: 143 total cpu time spent up to now is 296.8 secs Computing kpt #: 144 total cpu time spent up to now is 298.5 secs Computing kpt #: 145 total cpu time spent up to now is 300.2 secs Computing kpt #: 146 total cpu time spent up to now is 301.7 secs Computing kpt #: 147 total cpu time spent up to now is 303.4 secs Computing kpt #: 148 total cpu time spent up to now is 304.9 secs Computing kpt #: 149 total cpu time spent up to now is 306.7 secs Computing kpt #: 150 total cpu time spent up to now is 308.1 secs Computing kpt #: 151 total cpu time spent up to now is 309.7 secs Computing kpt #: 152 total cpu time spent up to now is 311.1 secs Computing kpt #: 153 total cpu time spent up to now is 312.5 secs Computing kpt #: 154 total cpu time spent up to now is 314.1 secs Computing kpt #: 155 total cpu time spent up to now is 315.6 secs Computing kpt #: 156 total cpu time spent up to now is 317.3 secs Computing kpt #: 157 total cpu time spent up to now is 319.2 secs Computing kpt #: 158 total cpu time spent up to now is 320.6 secs Computing kpt #: 159 total cpu time spent up to now is 322.1 secs Computing kpt #: 160 total cpu time spent up to now is 323.6 secs Computing kpt #: 161 total cpu time spent up to now is 325.8 secs Computing kpt #: 162 total cpu time spent up to now is 327.6 secs Computing kpt #: 163 total cpu time spent up to now is 330.0 secs Computing kpt #: 164 total cpu time spent up to now is 332.2 secs Computing kpt #: 165 total cpu time spent up to now is 333.8 secs Computing kpt #: 166 total cpu time spent up to now is 336.0 secs Computing kpt #: 167 total cpu time spent up to now is 337.7 secs Computing kpt #: 168 total cpu time spent up to now is 339.1 secs Computing kpt #: 169 total cpu time spent up to now is 340.6 secs Computing kpt #: 170 total cpu time spent up to now is 342.5 secs Computing kpt #: 171 total cpu time spent up to now is 344.2 secs Computing kpt #: 172 total cpu time spent up to now is 346.6 secs Computing kpt #: 173 total cpu time spent up to now is 348.6 secs Computing kpt #: 174 total cpu time spent up to now is 350.4 secs Computing kpt #: 175 total cpu time spent up to now is 352.0 secs Computing kpt #: 176 total cpu time spent up to now is 353.6 secs Computing kpt #: 177 total cpu time spent up to now is 355.2 secs Computing kpt #: 178 total cpu time spent up to now is 356.7 secs Computing kpt #: 179 total cpu time spent up to now is 358.3 secs Computing kpt #: 180 total cpu time spent up to now is 359.8 secs Computing kpt #: 181 total cpu time spent up to now is 363.1 secs Computing kpt #: 182 total cpu time spent up to now is 365.5 secs Computing kpt #: 183 total cpu time spent up to now is 367.5 secs Computing kpt #: 184 total cpu time spent up to now is 369.6 secs Computing kpt #: 185 total cpu time spent up to now is 371.0 secs Computing kpt #: 186 total cpu time spent up to now is 372.4 secs Computing kpt #: 187 total cpu time spent up to now is 374.0 secs Computing kpt #: 188 total cpu time spent up to now is 375.5 secs Computing kpt #: 189 total cpu time spent up to now is 377.0 secs Computing kpt #: 190 total cpu time spent up to now is 379.2 secs Computing kpt #: 191 total cpu time spent up to now is 382.9 secs Computing kpt #: 192 total cpu time spent up to now is 384.7 secs Computing kpt #: 193 total cpu time spent up to now is 386.8 secs Computing kpt #: 194 total cpu time spent up to now is 389.3 secs Computing kpt #: 195 total cpu time spent up to now is 391.4 secs Computing kpt #: 196 total cpu time spent up to now is 393.6 secs Computing kpt #: 197 total cpu time spent up to now is 396.4 secs Computing kpt #: 198 total cpu time spent up to now is 398.1 secs Computing kpt #: 199 total cpu time spent up to now is 399.7 secs Computing kpt #: 200 total cpu time spent up to now is 402.0 secs Computing kpt #: 201 total cpu time spent up to now is 404.4 secs Computing kpt #: 202 total cpu time spent up to now is 406.9 secs Computing kpt #: 203 total cpu time spent up to now is 410.7 secs Computing kpt #: 204 total cpu time spent up to now is 413.0 secs Computing kpt #: 205 total cpu time spent up to now is 415.3 secs Computing kpt #: 206 total cpu time spent up to now is 417.7 secs Computing kpt #: 207 total cpu time spent up to now is 420.3 secs Computing kpt #: 208 total cpu time spent up to now is 422.9 secs Computing kpt #: 209 total cpu time spent up to now is 425.6 secs Computing kpt #: 210 total cpu time spent up to now is 427.6 secs Computing kpt #: 211 total cpu time spent up to now is 429.3 secs Computing kpt #: 212 total cpu time spent up to now is 431.1 secs Computing kpt #: 213 total cpu time spent up to now is 433.1 secs Computing kpt #: 214 total cpu time spent up to now is 435.0 secs Computing kpt #: 215 total cpu time spent up to now is 436.7 secs Computing kpt #: 216 total cpu time spent up to now is 438.8 secs Computing kpt #: 217 total cpu time spent up to now is 441.3 secs Computing kpt #: 218 total cpu time spent up to now is 443.7 secs Computing kpt #: 219 total cpu time spent up to now is 447.0 secs Computing kpt #: 220 total cpu time spent up to now is 448.6 secs Computing kpt #: 221 total cpu time spent up to now is 450.5 secs Computing kpt #: 222 total cpu time spent up to now is 452.6 secs Computing kpt #: 223 total cpu time spent up to now is 455.0 secs Computing kpt #: 224 total cpu time spent up to now is 457.1 secs Computing kpt #: 225 total cpu time spent up to now is 459.3 secs Computing kpt #: 226 total cpu time spent up to now is 461.1 secs Computing kpt #: 227 total cpu time spent up to now is 462.8 secs Computing kpt #: 228 total cpu time spent up to now is 464.3 secs Computing kpt #: 229 total cpu time spent up to now is 465.8 secs Computing kpt #: 230 total cpu time spent up to now is 467.2 secs Computing kpt #: 231 total cpu time spent up to now is 468.6 secs Computing kpt #: 232 total cpu time spent up to now is 470.0 secs Computing kpt #: 233 total cpu time spent up to now is 471.4 secs Computing kpt #: 234 total cpu time spent up to now is 472.7 secs Computing kpt #: 235 total cpu time spent up to now is 474.4 secs Computing kpt #: 236 total cpu time spent up to now is 476.2 secs Computing kpt #: 237 total cpu time spent up to now is 477.8 secs Computing kpt #: 238 total cpu time spent up to now is 479.7 secs Computing kpt #: 239 total cpu time spent up to now is 481.0 secs Computing kpt #: 240 total cpu time spent up to now is 482.3 secs Computing kpt #: 241 total cpu time spent up to now is 483.6 secs Computing kpt #: 242 total cpu time spent up to now is 485.0 secs Computing kpt #: 243 total cpu time spent up to now is 486.3 secs Computing kpt #: 244 total cpu time spent up to now is 487.8 secs Computing kpt #: 245 total cpu time spent up to now is 489.5 secs Computing kpt #: 246 total cpu time spent up to now is 491.0 secs Computing kpt #: 247 total cpu time spent up to now is 492.9 secs Computing kpt #: 248 total cpu time spent up to now is 494.6 secs Computing kpt #: 249 total cpu time spent up to now is 496.2 secs Computing kpt #: 250 total cpu time spent up to now is 497.8 secs Computing kpt #: 251 total cpu time spent up to now is 499.3 secs Computing kpt #: 252 total cpu time spent up to now is 500.6 secs Computing kpt #: 253 total cpu time spent up to now is 502.1 secs Computing kpt #: 254 total cpu time spent up to now is 503.7 secs Computing kpt #: 255 total cpu time spent up to now is 505.0 secs Computing kpt #: 256 total cpu time spent up to now is 506.8 secs Computing kpt #: 257 total cpu time spent up to now is 509.2 secs Computing kpt #: 258 total cpu time spent up to now is 510.8 secs Computing kpt #: 259 total cpu time spent up to now is 512.8 secs Computing kpt #: 260 total cpu time spent up to now is 515.0 secs Computing kpt #: 261 total cpu time spent up to now is 517.1 secs Computing kpt #: 262 total cpu time spent up to now is 518.6 secs Computing kpt #: 263 total cpu time spent up to now is 520.7 secs Computing kpt #: 264 total cpu time spent up to now is 523.0 secs Computing kpt #: 265 total cpu time spent up to now is 524.7 secs Computing kpt #: 266 total cpu time spent up to now is 526.5 secs Computing kpt #: 267 total cpu time spent up to now is 528.1 secs Computing kpt #: 268 total cpu time spent up to now is 529.6 secs Computing kpt #: 269 total cpu time spent up to now is 531.2 secs Computing kpt #: 270 total cpu time spent up to now is 532.8 secs Computing kpt #: 271 total cpu time spent up to now is 535.1 secs Computing kpt #: 272 total cpu time spent up to now is 537.3 secs Computing kpt #: 273 total cpu time spent up to now is 538.9 secs Computing kpt #: 274 total cpu time spent up to now is 540.4 secs Computing kpt #: 275 total cpu time spent up to now is 541.9 secs Computing kpt #: 276 total cpu time spent up to now is 543.4 secs Computing kpt #: 277 total cpu time spent up to now is 544.8 secs Computing kpt #: 278 total cpu time spent up to now is 546.3 secs Computing kpt #: 279 total cpu time spent up to now is 547.8 secs Computing kpt #: 280 total cpu time spent up to now is 549.2 secs Computing kpt #: 281 total cpu time spent up to now is 550.8 secs Computing kpt #: 282 total cpu time spent up to now is 552.6 secs Computing kpt #: 283 total cpu time spent up to now is 554.8 secs Computing kpt #: 284 total cpu time spent up to now is 556.7 secs Computing kpt #: 285 total cpu time spent up to now is 558.5 secs Computing kpt #: 286 total cpu time spent up to now is 560.1 secs Computing kpt #: 287 total cpu time spent up to now is 562.1 secs Computing kpt #: 288 total cpu time spent up to now is 564.1 secs Computing kpt #: 289 total cpu time spent up to now is 565.7 secs Computing kpt #: 290 total cpu time spent up to now is 567.7 secs Computing kpt #: 291 total cpu time spent up to now is 569.8 secs Computing kpt #: 292 total cpu time spent up to now is 571.5 secs Computing kpt #: 293 total cpu time spent up to now is 573.1 secs Computing kpt #: 294 total cpu time spent up to now is 575.1 secs Computing kpt #: 295 total cpu time spent up to now is 576.7 secs Computing kpt #: 296 total cpu time spent up to now is 578.3 secs Computing kpt #: 297 total cpu time spent up to now is 580.2 secs Computing kpt #: 298 total cpu time spent up to now is 582.3 secs Computing kpt #: 299 total cpu time spent up to now is 583.9 secs Computing kpt #: 300 total cpu time spent up to now is 585.6 secs Computing kpt #: 301 total cpu time spent up to now is 588.6 secs Computing kpt #: 302 total cpu time spent up to now is 590.2 secs Computing kpt #: 303 total cpu time spent up to now is 591.8 secs Computing kpt #: 304 total cpu time spent up to now is 593.3 secs Computing kpt #: 305 total cpu time spent up to now is 594.8 secs Computing kpt #: 306 total cpu time spent up to now is 596.4 secs Computing kpt #: 307 total cpu time spent up to now is 598.1 secs Computing kpt #: 308 total cpu time spent up to now is 600.3 secs Computing kpt #: 309 total cpu time spent up to now is 602.0 secs Computing kpt #: 310 total cpu time spent up to now is 603.6 secs Computing kpt #: 311 total cpu time spent up to now is 605.2 secs Computing kpt #: 312 total cpu time spent up to now is 606.8 secs Computing kpt #: 313 total cpu time spent up to now is 608.3 secs Computing kpt #: 314 total cpu time spent up to now is 609.9 secs Computing kpt #: 315 total cpu time spent up to now is 611.4 secs Computing kpt #: 316 total cpu time spent up to now is 613.0 secs Computing kpt #: 317 total cpu time spent up to now is 614.6 secs Computing kpt #: 318 total cpu time spent up to now is 616.9 secs Computing kpt #: 319 total cpu time spent up to now is 619.1 secs Computing kpt #: 320 total cpu time spent up to now is 620.5 secs Computing kpt #: 321 total cpu time spent up to now is 621.8 secs Computing kpt #: 322 total cpu time spent up to now is 623.2 secs Computing kpt #: 323 total cpu time spent up to now is 624.6 secs Computing kpt #: 324 total cpu time spent up to now is 625.9 secs Computing kpt #: 325 total cpu time spent up to now is 627.3 secs Computing kpt #: 326 total cpu time spent up to now is 628.7 secs Computing kpt #: 327 total cpu time spent up to now is 630.2 secs Computing kpt #: 328 total cpu time spent up to now is 631.9 secs Computing kpt #: 329 total cpu time spent up to now is 633.5 secs Computing kpt #: 330 total cpu time spent up to now is 635.1 secs Computing kpt #: 331 total cpu time spent up to now is 636.8 secs Computing kpt #: 332 total cpu time spent up to now is 639.2 secs Computing kpt #: 333 total cpu time spent up to now is 640.9 secs Computing kpt #: 334 total cpu time spent up to now is 642.5 secs Computing kpt #: 335 total cpu time spent up to now is 644.1 secs Computing kpt #: 336 total cpu time spent up to now is 645.8 secs Computing kpt #: 337 total cpu time spent up to now is 647.5 secs Computing kpt #: 338 total cpu time spent up to now is 650.1 secs Computing kpt #: 339 total cpu time spent up to now is 651.8 secs Computing kpt #: 340 total cpu time spent up to now is 653.7 secs Computing kpt #: 341 total cpu time spent up to now is 655.4 secs Computing kpt #: 342 total cpu time spent up to now is 656.9 secs Computing kpt #: 343 total cpu time spent up to now is 658.5 secs Computing kpt #: 344 total cpu time spent up to now is 660.1 secs Computing kpt #: 345 total cpu time spent up to now is 661.6 secs Computing kpt #: 346 total cpu time spent up to now is 663.2 secs Computing kpt #: 347 total cpu time spent up to now is 665.9 secs Computing kpt #: 348 total cpu time spent up to now is 667.6 secs Computing kpt #: 349 total cpu time spent up to now is 669.1 secs Computing kpt #: 350 total cpu time spent up to now is 670.7 secs Computing kpt #: 351 total cpu time spent up to now is 672.3 secs Computing kpt #: 352 total cpu time spent up to now is 673.8 secs Computing kpt #: 353 total cpu time spent up to now is 675.7 secs Computing kpt #: 354 total cpu time spent up to now is 678.4 secs Computing kpt #: 355 total cpu time spent up to now is 680.0 secs Computing kpt #: 356 total cpu time spent up to now is 681.7 secs Computing kpt #: 357 total cpu time spent up to now is 683.2 secs Computing kpt #: 358 total cpu time spent up to now is 684.6 secs Computing kpt #: 359 total cpu time spent up to now is 686.0 secs Computing kpt #: 360 total cpu time spent up to now is 687.3 secs Computing kpt #: 361 total cpu time spent up to now is 688.8 secs Computing kpt #: 362 total cpu time spent up to now is 690.4 secs Computing kpt #: 363 total cpu time spent up to now is 692.0 secs Computing kpt #: 364 total cpu time spent up to now is 693.7 secs Computing kpt #: 365 total cpu time spent up to now is 696.2 secs Computing kpt #: 366 total cpu time spent up to now is 697.8 secs Computing kpt #: 367 total cpu time spent up to now is 700.2 secs Computing kpt #: 368 total cpu time spent up to now is 702.3 secs Computing kpt #: 369 total cpu time spent up to now is 704.6 secs Computing kpt #: 370 total cpu time spent up to now is 707.2 secs Computing kpt #: 371 total cpu time spent up to now is 709.4 secs Computing kpt #: 372 total cpu time spent up to now is 711.1 secs Computing kpt #: 373 total cpu time spent up to now is 713.3 secs Computing kpt #: 374 total cpu time spent up to now is 715.3 secs Computing kpt #: 375 total cpu time spent up to now is 717.0 secs Computing kpt #: 376 total cpu time spent up to now is 719.5 secs Computing kpt #: 377 total cpu time spent up to now is 722.5 secs Computing kpt #: 378 total cpu time spent up to now is 725.0 secs Computing kpt #: 379 total cpu time spent up to now is 727.3 secs Computing kpt #: 380 total cpu time spent up to now is 729.4 secs Computing kpt #: 381 total cpu time spent up to now is 731.5 secs Computing kpt #: 382 total cpu time spent up to now is 733.8 secs Computing kpt #: 383 total cpu time spent up to now is 736.6 secs Computing kpt #: 384 total cpu time spent up to now is 738.5 secs Computing kpt #: 385 total cpu time spent up to now is 740.6 secs Computing kpt #: 386 total cpu time spent up to now is 742.6 secs Computing kpt #: 387 total cpu time spent up to now is 744.4 secs Computing kpt #: 388 total cpu time spent up to now is 746.4 secs Computing kpt #: 389 total cpu time spent up to now is 748.3 secs Computing kpt #: 390 total cpu time spent up to now is 750.0 secs Computing kpt #: 391 total cpu time spent up to now is 751.5 secs Computing kpt #: 392 total cpu time spent up to now is 752.9 secs Computing kpt #: 393 total cpu time spent up to now is 754.6 secs Computing kpt #: 394 total cpu time spent up to now is 756.2 secs Computing kpt #: 395 total cpu time spent up to now is 757.9 secs Computing kpt #: 396 total cpu time spent up to now is 759.6 secs Computing kpt #: 397 total cpu time spent up to now is 761.3 secs Computing kpt #: 398 total cpu time spent up to now is 763.0 secs Computing kpt #: 399 total cpu time spent up to now is 765.3 secs Computing kpt #: 400 total cpu time spent up to now is 767.2 secs Computing kpt #: 401 total cpu time spent up to now is 768.7 secs Computing kpt #: 402 total cpu time spent up to now is 770.4 secs Computing kpt #: 403 total cpu time spent up to now is 772.0 secs Computing kpt #: 404 total cpu time spent up to now is 773.6 secs Computing kpt #: 405 total cpu time spent up to now is 775.2 secs Computing kpt #: 406 total cpu time spent up to now is 776.8 secs Computing kpt #: 407 total cpu time spent up to now is 779.1 secs Computing kpt #: 408 total cpu time spent up to now is 781.3 secs Computing kpt #: 409 total cpu time spent up to now is 783.2 secs Computing kpt #: 410 total cpu time spent up to now is 785.4 secs ethr = 2.50E-11, avg # of iterations = 28.2 total cpu time spent up to now is 785.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6485 -24.6485 -24.6342 -24.6342 -16.9822 -16.9822 -16.9296 -16.9296 -16.9177 -16.9177 -16.8920 -16.8920 -0.9389 -0.9389 0.8684 0.8684 3.0595 3.0595 7.5906 7.5906 8.9916 8.9916 9.0748 9.0748 9.0970 9.0970 9.2008 9.2008 9.7394 9.7394 9.7942 9.7942 9.8065 9.8065 11.6816 11.6816 13.4652 13.4652 13.6309 13.6309 13.8352 13.8352 13.8353 13.8353 k = 0.0060 0.0238-0.0000 ( 4079 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6485 -24.6485 -24.6344 -24.6344 -16.9822 -16.9822 -16.9298 -16.9298 -16.9177 -16.9177 -16.8922 -16.8922 -0.9373 -0.9373 0.8692 0.8692 3.0613 3.0613 7.5781 7.5781 8.9727 8.9727 9.0749 9.0749 9.1193 9.1193 9.2065 9.2065 9.7146 9.7146 9.7473 9.7473 9.8729 9.8729 11.6833 11.6833 13.4652 13.4652 13.6276 13.6276 13.7840 13.7840 13.8556 13.8556 k = 0.0121 0.0476-0.0000 ( 4083 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6486 -24.6486 -24.6344 -24.6344 -16.9823 -16.9823 -16.9301 -16.9301 -16.9179 -16.9179 -16.8921 -16.8921 -0.9324 -0.9324 0.8716 0.8716 3.0666 3.0666 7.5413 7.5413 8.9405 8.9405 9.0732 9.0732 9.1565 9.1565 9.2300 9.2300 9.6383 9.6383 9.7389 9.7389 9.9420 9.9420 11.6882 11.6882 13.4645 13.4645 13.6136 13.6136 13.7115 13.7115 13.8524 13.8524 k = 0.0181 0.0714-0.0000 ( 4077 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6487 -24.6487 -24.6345 -24.6345 -16.9823 -16.9823 -16.9306 -16.9306 -16.9182 -16.9182 -16.8921 -16.8921 -0.9243 -0.9243 0.8755 0.8755 3.0755 3.0755 7.4819 7.4819 8.9122 8.9122 9.0688 9.0688 9.1803 9.1803 9.2803 9.2803 9.5576 9.5576 9.7303 9.7303 10.0071 10.0071 11.6960 11.6960 13.4573 13.4573 13.5708 13.5708 13.6513 13.6513 13.8341 13.8341 k = 0.0242 0.0952-0.0000 ( 4077 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6487 -24.6487 -24.6346 -24.6346 -16.9825 -16.9825 -16.9313 -16.9313 -16.9186 -16.9186 -16.8920 -16.8920 -0.9130 -0.9130 0.8810 0.8810 3.0880 3.0880 7.4027 7.4027 8.8916 8.8916 9.0595 9.0595 9.1960 9.1960 9.3447 9.3447 9.4790 9.4790 9.7190 9.7190 10.0678 10.0678 11.7062 11.7062 13.4159 13.4159 13.5181 13.5181 13.6166 13.6166 13.8076 13.8076 k = 0.0302 0.1189-0.0000 ( 4082 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6489 -24.6489 -24.6348 -24.6348 -16.9827 -16.9827 -16.9323 -16.9323 -16.9190 -16.9190 -16.8919 -16.8919 -0.8985 -0.8985 0.8881 0.8881 3.1039 3.1039 7.3065 7.3065 8.8788 8.8788 9.0408 9.0408 9.2109 9.2109 9.3897 9.3897 9.4308 9.4308 9.7048 9.7048 10.1243 10.1243 11.7180 11.7180 13.3221 13.3221 13.4972 13.4972 13.5840 13.5840 13.7806 13.7806 k = 0.0363 0.1427-0.0000 ( 4084 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6491 -24.6491 -24.6349 -24.6349 -16.9829 -16.9829 -16.9334 -16.9334 -16.9196 -16.9196 -16.8918 -16.8918 -0.8808 -0.8808 0.8967 0.8967 3.1234 3.1234 7.1963 7.1963 8.8730 8.8730 9.0060 9.0060 9.2271 9.2271 9.3403 9.3403 9.4913 9.4913 9.6877 9.6877 10.1766 10.1766 11.7306 11.7306 13.2105 13.2105 13.4680 13.4680 13.5603 13.5603 13.7579 13.7579 k = 0.0423 0.1665-0.0000 ( 4088 PWs) bands (ev): -50.3146 -50.3146 -50.3121 -50.3121 -24.6493 -24.6493 -24.6351 -24.6351 -16.9831 -16.9831 -16.9347 -16.9347 -16.9203 -16.9203 -16.8917 -16.8917 -0.8598 -0.8598 0.9068 0.9068 3.1464 3.1464 7.0748 7.0748 8.8720 8.8720 8.9507 8.9507 9.2441 9.2441 9.3028 9.3028 9.5591 9.5591 9.6682 9.6682 10.2251 10.2251 11.7429 11.7429 13.0946 13.0946 13.4096 13.4096 13.5574 13.5574 13.7394 13.7394 k = 0.0484 0.1903-0.0000 ( 4080 PWs) bands (ev): -50.3145 -50.3145 -50.3121 -50.3121 -24.6494 -24.6494 -24.6353 -24.6353 -16.9834 -16.9834 -16.9361 -16.9361 -16.9209 -16.9209 -16.8915 -16.8915 -0.8358 -0.8358 0.9183 0.9183 3.1728 3.1728 6.9444 6.9444 8.8537 8.8537 8.8965 8.8965 9.2578 9.2578 9.2902 9.2902 9.6231 9.6231 9.6472 9.6472 10.2699 10.2699 11.7537 11.7537 12.9780 12.9780 13.3341 13.3341 13.5658 13.5658 13.7228 13.7228 k = 0.0544 0.2141-0.0000 ( 4080 PWs) bands (ev): -50.3145 -50.3145 -50.3121 -50.3121 -24.6496 -24.6496 -24.6356 -24.6356 -16.9837 -16.9837 -16.9378 -16.9378 -16.9216 -16.9216 -16.8913 -16.8913 -0.8086 -0.8086 0.9314 0.9314 3.2025 3.2025 6.8068 6.8068 8.7679 8.7679 8.8986 8.8986 9.2623 9.2623 9.3034 9.3034 9.6207 9.6207 9.6861 9.6861 10.3112 10.3112 11.7621 11.7621 12.8621 12.8621 13.2522 13.2522 13.5786 13.5786 13.7059 13.7059 k = 0.0605 0.2379-0.0000 ( 4082 PWs) bands (ev): -50.3145 -50.3145 -50.3120 -50.3120 -24.6499 -24.6499 -24.6359 -24.6359 -16.9842 -16.9842 -16.9396 -16.9396 -16.9224 -16.9224 -16.8911 -16.8911 -0.7782 -0.7782 0.9459 0.9459 3.2357 3.2357 6.6637 6.6637 8.6637 8.6637 8.9130 8.9130 9.2671 9.2671 9.3280 9.3280 9.5945 9.5945 9.7416 9.7416 10.3492 10.3492 11.7668 11.7668 12.7477 12.7477 13.1695 13.1695 13.5934 13.5934 13.6873 13.6873 k = 0.0665 0.2617-0.0000 ( 4070 PWs) bands (ev): -50.3144 -50.3144 -50.3120 -50.3120 -24.6501 -24.6501 -24.6361 -24.6361 -16.9846 -16.9846 -16.9415 -16.9415 -16.9232 -16.9232 -16.8908 -16.8908 -0.7448 -0.7448 0.9618 0.9618 3.2721 3.2721 6.5163 6.5163 8.5517 8.5517 8.9319 8.9319 9.2756 9.2756 9.3572 9.3572 9.5663 9.5663 9.7914 9.7914 10.3842 10.3842 11.7670 11.7670 12.6352 12.6352 13.0901 13.0901 13.6087 13.6087 13.6667 13.6667 k = 0.0726 0.2855-0.0000 ( 4064 PWs) bands (ev): -50.3143 -50.3143 -50.3119 -50.3119 -24.6503 -24.6503 -24.6364 -24.6364 -16.9852 -16.9852 -16.9436 -16.9436 -16.9240 -16.9240 -16.8906 -16.8906 -0.7084 -0.7084 0.9790 0.9790 3.3117 3.3117 6.3658 6.3658 8.4352 8.4352 8.9541 8.9541 9.2871 9.2871 9.3897 9.3897 9.5367 9.5367 9.8345 9.8345 10.4163 10.4163 11.7621 11.7621 12.5249 12.5249 13.0168 13.0168 13.6224 13.6224 13.6455 13.6455 k = 0.0786 0.3093-0.0000 ( 4072 PWs) bands (ev): -50.3143 -50.3143 -50.3119 -50.3119 -24.6505 -24.6505 -24.6368 -24.6368 -16.9858 -16.9858 -16.9460 -16.9460 -16.9248 -16.9248 -16.8904 -16.8904 -0.6690 -0.6690 0.9975 0.9975 3.3545 3.3545 6.2128 6.2128 8.3155 8.3155 8.9789 8.9789 9.3006 9.3006 9.4249 9.4249 9.5060 9.5060 9.8703 9.8703 10.4458 10.4458 11.7522 11.7522 12.4172 12.4172 12.9518 12.9518 13.6187 13.6187 13.6396 13.6396 k = 0.0847 0.3330-0.0000 ( 4072 PWs) bands (ev): -50.3143 -50.3143 -50.3118 -50.3118 -24.6509 -24.6509 -24.6372 -24.6372 -16.9865 -16.9865 -16.9483 -16.9483 -16.9256 -16.9256 -16.8901 -16.8901 -0.6266 -0.6266 1.0174 1.0174 3.4003 3.4003 6.0583 6.0583 8.1938 8.1938 9.0058 9.0058 9.3155 9.3155 9.4581 9.4581 9.4791 9.4791 9.8980 9.8980 10.4728 10.4728 11.7378 11.7378 12.3123 12.3123 12.8964 12.8964 13.5984 13.5984 13.6480 13.6480 k = 0.0907 0.3568-0.0000 ( 4068 PWs) bands (ev): -50.3142 -50.3142 -50.3118 -50.3118 -24.6512 -24.6512 -24.6375 -24.6375 -16.9874 -16.9874 -16.9507 -16.9507 -16.9264 -16.9264 -16.8897 -16.8897 -0.5814 -0.5814 1.0384 1.0384 3.4491 3.4491 5.9028 5.9028 8.0710 8.0710 9.0344 9.0344 9.3311 9.3311 9.4382 9.4382 9.5075 9.5075 9.9168 9.9168 10.4976 10.4976 11.7204 11.7204 12.2102 12.2102 12.8512 12.8512 13.5795 13.5795 13.6528 13.6528 k = 0.0968 0.3806-0.0000 ( 4072 PWs) bands (ev): -50.3141 -50.3141 -50.3117 -50.3117 -24.6516 -24.6516 -24.6379 -24.6379 -16.9883 -16.9883 -16.9533 -16.9533 -16.9272 -16.9272 -16.8894 -16.8894 -0.5333 -0.5333 1.0606 1.0606 3.5006 3.5006 5.7468 5.7468 7.9476 7.9476 9.0640 9.0640 9.3466 9.3466 9.4057 9.4057 9.5509 9.5509 9.9261 9.9261 10.5204 10.5204 11.7019 11.7019 12.1112 12.1112 12.8162 12.8162 13.5638 13.5638 13.6524 13.6524 k = 0.1028 0.4044-0.0000 ( 4090 PWs) bands (ev): -50.3141 -50.3141 -50.3117 -50.3117 -24.6521 -24.6521 -24.6384 -24.6384 -16.9894 -16.9894 -16.9560 -16.9560 -16.9280 -16.9280 -16.8891 -16.8891 -0.4824 -0.4824 1.0839 1.0839 3.5548 3.5548 5.5909 5.5909 7.8241 7.8241 9.0938 9.0938 9.3582 9.3582 9.3759 9.3759 9.5975 9.5975 9.9255 9.9255 10.5415 10.5415 11.6850 11.6850 12.0154 12.0154 12.7906 12.7906 13.5518 13.5518 13.6469 13.6469 k = 0.1089 0.4282-0.0000 ( 4098 PWs) bands (ev): -50.3140 -50.3140 -50.3116 -50.3116 -24.6525 -24.6525 -24.6388 -24.6388 -16.9906 -16.9906 -16.9587 -16.9587 -16.9287 -16.9287 -16.8888 -16.8888 -0.4288 -0.4288 1.1082 1.1082 3.6115 3.6115 5.4355 5.4355 7.7011 7.7011 9.1230 9.1230 9.3351 9.3351 9.3800 9.3800 9.6469 9.6469 9.9150 9.9150 10.5614 10.5614 11.6721 11.6721 11.9228 11.9228 12.7737 12.7737 13.5434 13.5434 13.6372 13.6372 k = 0.1149 0.4520-0.0000 ( 4100 PWs) bands (ev): -50.3140 -50.3140 -50.3116 -50.3116 -24.6529 -24.6529 -24.6392 -24.6392 -16.9918 -16.9918 -16.9614 -16.9614 -16.9292 -16.9292 -16.8885 -16.8885 -0.3727 -0.3727 1.1336 1.1336 3.6702 3.6702 5.2811 5.2811 7.5790 7.5790 9.1502 9.1502 9.3020 9.3020 9.3929 9.3929 9.6986 9.6986 9.8956 9.8956 10.5804 10.5804 11.6656 11.6656 11.8334 11.8334 12.7641 12.7641 13.5373 13.5373 13.6252 13.6252 k = 0.1210 0.4758-0.0000 ( 4096 PWs) bands (ev): -50.3139 -50.3139 -50.3115 -50.3115 -24.6532 -24.6532 -24.6397 -24.6397 -16.9930 -16.9930 -16.9642 -16.9642 -16.9297 -16.9297 -16.8882 -16.8882 -0.3140 -0.3140 1.1599 1.1599 3.7307 3.7307 5.1284 5.1284 7.4581 7.4581 9.1730 9.1730 9.2692 9.2692 9.4046 9.4046 9.7520 9.7520 9.8698 9.8698 10.5991 10.5991 11.6670 11.6670 11.7474 11.7474 12.7609 12.7609 13.5298 13.5298 13.6145 13.6145 k = 0.1270 0.4996-0.0000 ( 4100 PWs) bands (ev): -50.3139 -50.3139 -50.3115 -50.3115 -24.6536 -24.6536 -24.6401 -24.6401 -16.9944 -16.9944 -16.9670 -16.9670 -16.9301 -16.9301 -16.8878 -16.8878 -0.2529 -0.2529 1.1870 1.1870 3.7921 3.7921 4.9782 4.9782 7.3389 7.3389 9.1873 9.1873 9.2393 9.2393 9.4141 9.4141 9.8002 9.8002 9.8474 9.8474 10.6181 10.6181 11.6634 11.6634 11.6789 11.6789 12.7631 12.7631 13.5156 13.5156 13.6102 13.6102 k = 0.1331 0.5233-0.0000 ( 4104 PWs) bands (ev): -50.3138 -50.3138 -50.3114 -50.3114 -24.6540 -24.6540 -24.6406 -24.6406 -16.9958 -16.9958 -16.9698 -16.9698 -16.9305 -16.9305 -16.8875 -16.8875 -0.1896 -0.1896 1.2151 1.2151 3.8532 3.8532 4.8318 4.8318 7.2216 7.2216 9.1823 9.1823 9.2195 9.2195 9.4209 9.4209 9.7961 9.7961 9.8798 9.8798 10.6380 10.6380 11.5849 11.5849 11.6981 11.6981 12.7701 12.7701 13.4915 13.4915 13.6143 13.6143 k = 0.1391 0.5471-0.0000 ( 4108 PWs) bands (ev): -50.3137 -50.3137 -50.3113 -50.3113 -24.6543 -24.6543 -24.6410 -24.6410 -16.9972 -16.9972 -16.9726 -16.9726 -16.9308 -16.9308 -16.8872 -16.8872 -0.1242 -0.1242 1.2439 1.2439 3.9117 3.9117 4.6916 4.6916 7.1066 7.1066 9.1568 9.1568 9.2072 9.2072 9.4242 9.4242 9.7728 9.7728 9.9396 9.9396 10.6594 10.6594 11.5088 11.5088 11.7274 11.7274 12.7810 12.7810 13.4583 13.4583 13.6240 13.6240 k = 0.1452 0.5709-0.0000 ( 4108 PWs) bands (ev): -50.3137 -50.3137 -50.3113 -50.3113 -24.6546 -24.6546 -24.6415 -24.6415 -16.9987 -16.9987 -16.9754 -16.9754 -16.9310 -16.9310 -16.8869 -16.8869 -0.0568 -0.0568 1.2735 1.2735 3.9623 3.9623 4.5629 4.5629 6.9943 6.9943 9.1250 9.1250 9.1843 9.1843 9.4237 9.4237 9.7583 9.7583 10.0039 10.0039 10.6828 10.6828 11.4360 11.4360 11.7656 11.7656 12.7957 12.7957 13.4179 13.4179 13.6342 13.6342 k = 0.1512 0.5947-0.0000 ( 4104 PWs) bands (ev): -50.3136 -50.3136 -50.3112 -50.3112 -24.6549 -24.6549 -24.6419 -24.6419 -17.0002 -17.0002 -16.9780 -16.9780 -16.9311 -16.9311 -16.8866 -16.8866 0.0123 0.0123 1.3039 1.3039 3.9926 3.9926 4.4581 4.4581 6.8850 6.8850 9.0896 9.0896 9.1469 9.1469 9.4192 9.4192 9.7571 9.7571 10.0712 10.0712 10.7087 10.7087 11.3666 11.3666 11.8121 11.8121 12.8135 12.8135 13.3714 13.3714 13.6387 13.6387 k = 0.1573 0.6185-0.0000 ( 4100 PWs) bands (ev): -50.3136 -50.3136 -50.3112 -50.3112 -24.6552 -24.6552 -24.6423 -24.6423 -17.0016 -17.0016 -16.9806 -16.9806 -16.9312 -16.9312 -16.8862 -16.8862 0.0829 0.0829 1.3352 1.3352 3.9794 3.9794 4.4004 4.4004 6.7789 6.7789 9.0449 9.0449 9.1022 9.1022 9.4107 9.4107 9.7692 9.7692 10.1409 10.1409 10.7374 10.7374 11.3006 11.3006 11.8659 11.8659 12.8344 12.8344 13.3195 13.3195 13.6304 13.6304 k = 0.1633 0.6423-0.0000 ( 4104 PWs) bands (ev): -50.3135 -50.3135 -50.3111 -50.3111 -24.6556 -24.6556 -24.6427 -24.6427 -17.0031 -17.0031 -16.9832 -16.9832 -16.9312 -16.9312 -16.8860 -16.8860 0.1546 0.1546 1.3673 1.3673 3.9099 3.9099 4.4024 4.4024 6.6765 6.6765 8.9815 8.9815 9.0633 9.0633 9.3984 9.3984 9.7922 9.7922 10.2130 10.2130 10.7690 10.7690 11.2381 11.2381 11.9265 11.9265 12.8581 12.8581 13.2626 13.2626 13.6028 13.6028 k = 0.1694 0.6661-0.0000 ( 4114 PWs) bands (ev): -50.3135 -50.3135 -50.3111 -50.3111 -24.6560 -24.6560 -24.6431 -24.6431 -17.0047 -17.0047 -16.9856 -16.9856 -16.9313 -16.9313 -16.8857 -16.8857 0.2272 0.2272 1.4004 1.4004 3.8029 3.8029 4.4452 4.4452 6.5779 6.5779 8.9016 8.9016 9.0321 9.0321 9.3824 9.3824 9.8232 9.8232 10.2872 10.2872 10.8034 10.8034 11.1792 11.1792 11.9930 11.9930 12.8843 12.8843 13.2014 13.2014 13.5550 13.5550 k = 0.1754 0.6899-0.0000 ( 4106 PWs) bands (ev): -50.3134 -50.3134 -50.3110 -50.3110 -24.6562 -24.6562 -24.6434 -24.6434 -17.0061 -17.0061 -16.9879 -16.9879 -16.9312 -16.9312 -16.8854 -16.8854 0.3001 0.3001 1.4348 1.4348 3.6793 3.6793 4.5079 4.5079 6.4836 6.4836 8.8121 8.8121 9.0050 9.0050 9.3629 9.3629 9.8601 9.8601 10.3634 10.3634 10.8401 10.8401 11.1245 11.1245 12.0647 12.0647 12.9127 12.9127 13.1364 13.1364 13.4911 13.4911 k = 0.1815 0.7137-0.0000 ( 4102 PWs) bands (ev): -50.3133 -50.3133 -50.3110 -50.3110 -24.6565 -24.6565 -24.6437 -24.6437 -17.0074 -17.0074 -16.9900 -16.9900 -16.9312 -16.9312 -16.8851 -16.8851 0.3728 0.3728 1.4706 1.4706 3.5490 3.5490 4.5802 4.5802 6.3939 6.3939 8.7173 8.7173 8.9806 8.9806 9.3401 9.3401 9.9011 9.9011 10.4415 10.4415 10.8775 10.8775 11.0753 11.0753 12.1410 12.1410 12.9417 12.9417 13.0696 13.0696 13.4170 13.4170 k = 0.1875 0.7374-0.0000 ( 4102 PWs) bands (ev): -50.3133 -50.3133 -50.3109 -50.3109 -24.6568 -24.6568 -24.6440 -24.6440 -17.0087 -17.0087 -16.9920 -16.9920 -16.9311 -16.9311 -16.8850 -16.8850 0.4447 0.4447 1.5083 1.5083 3.4163 3.4163 4.6576 4.6576 6.3089 6.3089 8.6196 8.6196 8.9585 8.9585 9.3144 9.3144 9.9450 9.9450 10.5211 10.5211 10.9107 10.9107 11.0363 11.0363 12.2212 12.2212 12.9582 12.9582 13.0145 13.0145 13.3380 13.3380 k = 0.1936 0.7612-0.0000 ( 4116 PWs) bands (ev): -50.3133 -50.3133 -50.3109 -50.3109 -24.6571 -24.6571 -24.6444 -24.6444 -17.0100 -17.0100 -16.9940 -16.9940 -16.9310 -16.9310 -16.8848 -16.8848 0.5149 0.5149 1.5483 1.5483 3.2832 3.2832 4.7378 4.7378 6.2292 6.2292 8.5210 8.5210 8.9385 8.9385 9.2861 9.2861 9.9911 9.9911 10.6018 10.6018 10.9222 10.9222 11.0247 11.0247 12.3045 12.3045 12.9079 12.9079 13.0253 13.0253 13.2578 13.2578 k = 0.1996 0.7850-0.0000 ( 4120 PWs) bands (ev): -50.3132 -50.3132 -50.3109 -50.3109 -24.6573 -24.6573 -24.6447 -24.6447 -17.0111 -17.0111 -16.9958 -16.9958 -16.9309 -16.9309 -16.8847 -16.8847 0.5827 0.5827 1.5914 1.5914 3.1507 3.1507 4.8195 4.8195 6.1548 6.1548 8.4229 8.4229 8.9205 8.9205 9.2555 9.2555 10.0388 10.0388 10.6823 10.6823 10.9019 10.9019 11.0511 11.0511 12.3899 12.3899 12.8340 12.8340 13.0563 13.0563 13.1822 13.1822 k = 0.2057 0.8088-0.0000 ( 4128 PWs) bands (ev): -50.3132 -50.3132 -50.3108 -50.3108 -24.6575 -24.6575 -24.6450 -24.6450 -17.0121 -17.0121 -16.9975 -16.9975 -16.9308 -16.9308 -16.8846 -16.8846 0.6471 0.6471 1.6381 1.6381 3.0194 3.0194 4.9016 4.9016 6.0862 6.0862 8.3266 8.3266 8.9045 8.9045 9.2230 9.2230 10.0878 10.0878 10.7574 10.7574 10.8760 10.8760 11.0933 11.0933 12.4762 12.4762 12.7568 12.7568 13.0615 13.0615 13.1400 13.1400 k = 0.2117 0.8326-0.0000 ( 4118 PWs) bands (ev): -50.3132 -50.3132 -50.3108 -50.3108 -24.6576 -24.6576 -24.6452 -24.6452 -17.0129 -17.0129 -16.9989 -16.9989 -16.9306 -16.9306 -16.8844 -16.8844 0.7069 0.7069 1.6894 1.6894 2.8897 2.8897 4.9832 4.9832 6.0236 6.0236 8.2332 8.2332 8.8906 8.8906 9.1891 9.1891 10.1378 10.1378 10.7938 10.7938 10.8880 10.8880 11.1401 11.1401 12.5606 12.5606 12.6798 12.6798 13.0049 13.0049 13.1676 13.1676 k = 0.2178 0.8564-0.0000 ( 4118 PWs) bands (ev): -50.3131 -50.3131 -50.3108 -50.3108 -24.6577 -24.6577 -24.6454 -24.6454 -17.0137 -17.0137 -17.0001 -17.0001 -16.9305 -16.9305 -16.8844 -16.8844 0.7611 0.7611 1.7460 1.7460 2.7616 2.7616 5.0634 5.0634 5.9672 5.9672 8.1438 8.1438 8.8788 8.8788 9.1539 9.1539 10.1887 10.1887 10.7742 10.7742 10.9570 10.9570 11.1880 11.1880 12.5889 12.5889 12.6559 12.6559 12.9391 12.9391 13.2147 13.2147 k = 0.2238 0.8802-0.0000 ( 4120 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6456 -24.6456 -17.0143 -17.0143 -17.0012 -17.0012 -16.9303 -16.9303 -16.8843 -16.8843 0.8088 0.8088 1.8087 1.8087 2.6356 2.6356 5.1412 5.1412 5.9172 5.9172 8.0597 8.0597 8.8690 8.8690 9.1179 9.1179 10.2403 10.2403 10.7439 10.7439 11.0373 11.0373 11.2358 11.2358 12.5149 12.5149 12.7275 12.7275 12.8809 12.8809 13.2693 13.2693 k = 0.2299 0.9040-0.0000 ( 4124 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6458 -24.6458 -17.0148 -17.0148 -17.0020 -17.0020 -16.9302 -16.9302 -16.8843 -16.8843 0.8492 0.8492 1.8780 1.8780 2.5116 2.5116 5.2156 5.2156 5.8739 5.8739 7.9820 7.9820 8.8613 8.8613 9.0814 9.0814 10.2926 10.2926 10.7129 10.7129 11.1171 11.1171 11.2833 11.2833 12.4374 12.4374 12.7747 12.7747 12.8527 12.8527 13.3311 13.3311 k = 0.2359 0.9278-0.0000 ( 4120 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6580 -24.6580 -24.6459 -24.6459 -17.0151 -17.0151 -17.0027 -17.0027 -16.9301 -16.9301 -16.8843 -16.8843 0.8819 0.8819 1.9542 1.9542 2.3897 2.3897 5.2853 5.2853 5.8373 5.8373 7.9120 7.9120 8.8557 8.8557 9.0447 9.0447 10.3455 10.3455 10.6826 10.6826 11.1904 11.1904 11.3328 11.3328 12.3609 12.3609 12.7559 12.7559 12.8917 12.8917 13.4010 13.4010 k = 0.2420 0.9515-0.0000 ( 4112 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6459 -24.6459 -17.0152 -17.0152 -17.0031 -17.0031 -16.9300 -16.9300 -16.8843 -16.8843 0.9067 0.9067 2.0373 2.0373 2.2703 2.2703 5.3491 5.3491 5.8075 5.8075 7.8511 7.8511 8.8520 8.8520 9.0080 9.0080 10.3990 10.3990 10.6535 10.6535 11.2490 11.2490 11.3897 11.3897 12.2863 12.2863 12.7267 12.7267 12.9413 12.9413 13.4798 13.4798 k = 0.2480 0.9753-0.0000 ( 4116 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6580 -24.6580 -24.6460 -24.6460 -17.0153 -17.0153 -17.0033 -17.0033 -16.9299 -16.9299 -16.8844 -16.8844 0.9237 0.9237 2.1246 2.1246 2.1556 2.1556 5.4056 5.4056 5.7846 5.7846 7.8007 7.8007 8.8502 8.8502 8.9719 8.9719 10.4527 10.4527 10.6257 10.6257 11.2865 11.2865 11.4582 11.4582 12.2142 12.2142 12.7076 12.7076 12.9803 12.9803 13.5677 13.5677 k = 0.2541 0.9991-0.0000 ( 4118 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6580 -24.6580 -24.6460 -24.6460 -17.0152 -17.0152 -17.0034 -17.0034 -16.9299 -16.9299 -16.8845 -16.8845 0.9332 0.9332 2.0370 2.0370 2.2248 2.2248 5.4535 5.4535 5.7684 5.7684 7.7623 7.7623 8.8496 8.8496 8.9370 8.9370 10.5055 10.5055 10.6003 10.6003 11.3041 11.3041 11.5354 11.5354 12.1454 12.1454 12.7023 12.7023 13.0056 13.0056 13.6639 13.6639 k = 0.2601 1.0229-0.0000 ( 4118 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6459 -24.6459 -17.0149 -17.0149 -17.0032 -17.0032 -16.9298 -16.9298 -16.8847 -16.8847 0.9358 0.9358 1.9246 1.9246 2.3271 2.3271 5.4919 5.4919 5.7586 5.7586 7.7371 7.7371 8.8484 8.8484 8.9054 8.9054 10.5448 10.5448 10.5894 10.5894 11.3055 11.3055 11.6165 11.6165 12.0803 12.0803 12.7115 12.7115 13.0166 13.0166 13.7665 13.7665 k = 0.2662 1.0467-0.0000 ( 4114 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0145 -17.0145 -17.0028 -17.0028 -16.9297 -16.9297 -16.8849 -16.8849 0.9318 0.9318 1.8145 1.8145 2.4351 2.4351 5.5199 5.5199 5.7547 5.7547 7.7263 7.7263 8.8398 8.8398 8.8842 8.8842 10.5334 10.5334 10.6302 10.6302 11.2936 11.2936 11.6982 11.6982 12.0197 12.0197 12.7347 12.7347 13.0137 13.0137 13.8730 13.8730 k = 0.2662 1.0467-0.0000 ( 4114 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0145 -17.0145 -17.0028 -17.0028 -16.9297 -16.9297 -16.8849 -16.8849 0.9318 0.9318 1.8145 1.8145 2.4351 2.4351 5.5199 5.5199 5.7547 5.7547 7.7263 7.7263 8.8398 8.8398 8.8842 8.8842 10.5334 10.5334 10.6302 10.6302 11.2936 11.2936 11.6982 11.6982 12.0197 12.0197 12.7347 12.7347 13.0137 13.0137 13.8730 13.8730 k = 0.2420 1.0467-0.0000 ( 4112 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0146 -17.0146 -17.0029 -17.0029 -16.9297 -16.9297 -16.8848 -16.8848 0.9330 0.9330 1.8414 1.8414 2.4086 2.4086 5.5005 5.5005 5.7709 5.7709 7.7192 7.7192 8.8476 8.8476 8.8931 8.8931 10.5380 10.5380 10.6134 10.6134 11.2995 11.2995 11.6814 11.6814 12.0293 12.0293 12.7214 12.7214 13.0153 13.0153 13.8555 13.8555 k = 0.2178 1.0467-0.0000 ( 4110 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0147 -17.0147 -17.0030 -17.0030 -16.9297 -16.9297 -16.8847 -16.8847 0.9335 0.9335 1.8689 1.8689 2.3831 2.3831 5.4628 5.4628 5.8097 5.8097 7.6970 7.6970 8.8550 8.8550 8.9210 8.9210 10.5381 10.5381 10.5915 10.5915 11.3081 11.3081 11.6704 11.6704 12.0298 12.0298 12.6969 12.6969 13.0153 13.0153 13.8545 13.8545 k = 0.1936 1.0467-0.0000 ( 4112 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6459 -24.6459 -17.0148 -17.0148 -17.0031 -17.0031 -16.9298 -16.9298 -16.8847 -16.8847 0.9334 0.9334 1.8965 1.8965 2.3585 2.3585 5.4190 5.4190 5.8591 5.8591 7.6624 7.6624 8.8578 8.8578 8.9692 8.9692 10.5232 10.5232 10.5756 10.5756 11.3189 11.3189 11.6652 11.6652 12.0220 12.0220 12.6638 12.6638 13.0137 13.0137 13.8680 13.8680 k = 0.1694 1.0467-0.0000 ( 4112 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6459 -24.6459 -17.0149 -17.0149 -17.0031 -17.0031 -16.9298 -16.9298 -16.8846 -16.8846 0.9329 0.9329 1.9239 1.9239 2.3349 2.3349 5.3751 5.3751 5.9125 5.9125 7.6189 7.6189 8.8584 8.8584 9.0313 9.0313 10.4881 10.4881 10.5724 10.5724 11.3311 11.3311 11.6656 11.6656 12.0068 12.0068 12.6254 12.6254 13.0111 13.0111 13.8926 13.8926 k = 0.1452 1.0467-0.0000 ( 4107 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0150 -17.0150 -17.0032 -17.0032 -16.9297 -16.9297 -16.8846 -16.8846 0.9321 0.9321 1.9506 1.9506 2.3123 2.3123 5.3343 5.3343 5.9664 5.9664 7.5705 7.5705 8.8583 8.8583 9.1016 9.1016 10.4421 10.4421 10.5738 10.5738 11.3439 11.3439 11.6714 11.6714 11.9854 11.9854 12.5851 12.5851 13.0083 13.0083 13.9242 13.9242 k = 0.1210 1.0467-0.0000 ( 4108 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6460 -24.6460 -17.0150 -17.0150 -17.0033 -17.0033 -16.9297 -16.9297 -16.8846 -16.8846 0.9312 0.9312 1.9761 1.9761 2.2911 2.2911 5.2980 5.2980 6.0183 6.0183 7.5208 7.5208 8.8580 8.8580 9.1756 9.1756 10.3910 10.3910 10.5761 10.5761 11.3564 11.3564 11.6821 11.6821 11.9591 11.9591 12.5459 12.5459 13.0056 13.0056 13.9588 13.9588 k = 0.0968 1.0467-0.0000 ( 4103 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0151 -17.0151 -17.0033 -17.0033 -16.9297 -16.9297 -16.8845 -16.8845 0.9303 0.9303 1.9998 1.9998 2.2713 2.2713 5.2674 5.2674 6.0659 6.0659 7.4734 7.4734 8.8576 8.8576 9.2487 9.2487 10.3386 10.3386 10.5781 10.5781 11.3679 11.3679 11.6974 11.6974 11.9295 11.9295 12.5105 12.5105 13.0033 13.0033 13.9928 13.9928 k = 0.0726 1.0467-0.0000 ( 4110 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6460 -24.6460 -17.0152 -17.0152 -17.0033 -17.0033 -16.9298 -16.9298 -16.8845 -16.8845 0.9296 0.9296 2.0208 2.0208 2.2537 2.2537 5.2429 5.2429 6.1066 6.1066 7.4318 7.4318 8.8573 8.8573 9.3160 9.3160 10.2885 10.2885 10.5797 10.5797 11.3777 11.3777 11.7169 11.7169 11.8979 11.8979 12.4810 12.4810 13.0015 13.0015 14.0231 14.0231 k = 0.0484 1.0467-0.0000 ( 4106 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6460 -24.6460 -17.0152 -17.0152 -17.0034 -17.0034 -16.9298 -16.9298 -16.8845 -16.8845 0.9290 0.9290 2.0379 2.0379 2.2392 2.2392 5.2251 5.2251 6.1382 6.1382 7.3991 7.3991 8.8570 8.8570 9.3716 9.3716 10.2457 10.2457 10.5808 10.5808 11.3852 11.3852 11.7397 11.7397 11.8658 11.8658 12.4589 12.4589 13.0002 13.0002 14.0470 14.0470 k = 0.0242 1.0467-0.0000 ( 4098 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0152 -17.0152 -17.0033 -17.0033 -16.9297 -16.9297 -16.8844 -16.8844 0.9286 0.9286 2.0494 2.0494 2.2293 2.2293 5.2143 5.2143 6.1583 6.1583 7.3782 7.3782 8.8569 8.8569 9.4091 9.4091 10.2163 10.2163 10.5814 10.5814 11.3899 11.3899 11.7643 11.7643 11.8353 11.8353 12.4452 12.4452 12.9994 12.9994 14.0623 14.0623 k = 0.0000 1.0467-0.0000 ( 4102 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6459 -24.6459 -17.0152 -17.0152 -17.0033 -17.0033 -16.9298 -16.9298 -16.8844 -16.8844 0.9285 0.9285 2.0535 2.0535 2.2257 2.2257 5.2107 5.2107 6.1652 6.1652 7.3710 7.3710 8.8568 8.8568 9.4224 9.4224 10.2056 10.2056 10.5816 10.5816 11.3915 11.3915 11.7807 11.7807 11.8169 11.8169 12.4406 12.4406 12.9991 12.9991 14.0676 14.0676 k = 0.0000 1.0467-0.0000 ( 4102 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6459 -24.6459 -17.0152 -17.0152 -17.0033 -17.0033 -16.9298 -16.9298 -16.8844 -16.8844 0.9285 0.9285 2.0535 2.0535 2.2257 2.2257 5.2107 5.2107 6.1652 6.1652 7.3710 7.3710 8.8568 8.8568 9.4224 9.4224 10.2056 10.2056 10.5816 10.5816 11.3915 11.3915 11.7807 11.7807 11.8169 11.8169 12.4406 12.4406 12.9991 12.9991 14.0676 14.0676 k = 0.0000 1.0467 0.0244 ( 4104 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6459 -24.6459 -17.0152 -17.0152 -17.0034 -17.0034 -16.9298 -16.9298 -16.8845 -16.8845 0.9295 0.9295 2.0548 2.0548 2.2270 2.2270 5.2102 5.2102 6.1649 6.1649 7.3729 7.3729 8.8539 8.8539 9.4213 9.4213 10.2051 10.2051 10.5709 10.5709 11.3621 11.3621 11.7686 11.7686 11.8430 11.8430 12.4482 12.4482 13.0034 13.0034 14.0718 14.0718 k = 0.0000 1.0467 0.0488 ( 4106 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6579 -24.6579 -24.6460 -24.6460 -17.0152 -17.0152 -17.0034 -17.0034 -16.9301 -16.9301 -16.8848 -16.8848 0.9327 0.9327 2.0588 2.0588 2.2310 2.2310 5.2088 5.2088 6.1643 6.1643 7.3784 7.3784 8.8451 8.8451 9.4178 9.4178 10.2035 10.2035 10.5393 10.5393 11.2874 11.2874 11.7403 11.7403 11.9007 11.9007 12.4699 12.4699 13.0160 13.0160 14.0840 14.0840 k = 0.0000 1.0467 0.0731 ( 4106 PWs) bands (ev): -50.3130 -50.3130 -50.3107 -50.3107 -24.6580 -24.6580 -24.6461 -24.6461 -17.0150 -17.0150 -17.0034 -17.0034 -16.9305 -16.9305 -16.8852 -16.8852 0.9379 0.9379 2.0653 2.0653 2.2376 2.2376 5.2063 5.2063 6.1633 6.1633 7.3876 7.3876 8.8308 8.8308 9.4119 9.4119 10.2004 10.2004 10.4888 10.4888 11.1868 11.1868 11.6976 11.6976 11.9709 11.9709 12.5036 12.5036 13.0367 13.0367 14.1034 14.1034 k = 0.0000 1.0467 0.0975 ( 4102 PWs) bands (ev): -50.3130 -50.3130 -50.3107 -50.3107 -24.6580 -24.6580 -24.6462 -24.6462 -17.0149 -17.0149 -17.0034 -17.0034 -16.9310 -16.9310 -16.8858 -16.8858 0.9453 0.9453 2.0745 2.0745 2.2468 2.2468 5.2024 5.2024 6.1624 6.1624 7.4004 7.4004 8.8115 8.8115 9.4035 9.4035 10.1953 10.1953 10.4224 10.4224 11.0716 11.0716 11.6418 11.6418 12.0444 12.0444 12.5463 12.5463 13.0647 13.0647 14.1287 14.1287 k = 0.0000 1.0467 0.1219 ( 4102 PWs) bands (ev): -50.3130 -50.3130 -50.3106 -50.3106 -24.6581 -24.6581 -24.6463 -24.6463 -17.0147 -17.0147 -17.0034 -17.0034 -16.9317 -16.9317 -16.8866 -16.8866 0.9548 0.9548 2.0864 2.0864 2.2586 2.2586 5.1968 5.1968 6.1617 6.1617 7.4167 7.4167 8.7878 8.7878 9.3924 9.3924 10.1865 10.1865 10.3440 10.3440 10.9474 10.9474 11.5751 11.5751 12.1172 12.1172 12.5950 12.5950 13.0993 13.0993 14.1589 14.1589 k = 0.0000 1.0467 0.1463 ( 4100 PWs) bands (ev): -50.3129 -50.3129 -50.3106 -50.3106 -24.6582 -24.6582 -24.6465 -24.6465 -17.0144 -17.0144 -17.0034 -17.0034 -16.9325 -16.9325 -16.8876 -16.8876 0.9663 0.9663 2.1008 2.1008 2.2730 2.2730 5.1890 5.1890 6.1619 6.1619 7.4365 7.4365 8.7602 8.7602 9.3780 9.3780 10.1682 10.1682 10.2616 10.2616 10.8177 10.8177 11.4997 11.4997 12.1876 12.1876 12.6467 12.6467 13.1395 13.1395 14.1934 14.1934 k = 0.0000 1.0467 0.1707 ( 4100 PWs) bands (ev): -50.3129 -50.3129 -50.3106 -50.3106 -24.6583 -24.6583 -24.6467 -24.6467 -17.0142 -17.0142 -17.0034 -17.0034 -16.9334 -16.9334 -16.8887 -16.8887 0.9800 0.9800 2.1177 2.1177 2.2900 2.2900 5.1785 5.1785 6.1633 6.1633 7.4595 7.4595 8.7296 8.7296 9.3600 9.3600 10.1164 10.1164 10.2005 10.2005 10.6856 10.6856 11.4175 11.4175 12.2552 12.2552 12.6993 12.6993 13.1843 13.1843 14.2319 14.2319 k = 0.0000 1.0467 0.1950 ( 4096 PWs) bands (ev): -50.3129 -50.3129 -50.3106 -50.3106 -24.6585 -24.6585 -24.6470 -24.6470 -17.0139 -17.0139 -17.0034 -17.0034 -16.9344 -16.9344 -16.8900 -16.8900 0.9957 0.9957 2.1372 2.1372 2.3096 2.3096 5.1647 5.1647 6.1666 6.1666 7.4856 7.4856 8.6967 8.6967 9.3375 9.3375 10.0246 10.0246 10.1670 10.1670 10.5554 10.5554 11.3304 11.3304 12.3199 12.3199 12.7507 12.7507 13.2327 13.2327 14.2741 14.2741 k = 0.0000 1.0467 0.2194 ( 4100 PWs) bands (ev): -50.3128 -50.3128 -50.3105 -50.3105 -24.6586 -24.6586 -24.6473 -24.6473 -17.0136 -17.0136 -17.0035 -17.0035 -16.9356 -16.9356 -16.8914 -16.8914 1.0135 1.0135 2.1593 2.1593 2.3317 2.3317 5.1472 5.1472 6.1722 6.1722 7.5147 7.5147 8.6622 8.6622 9.3092 9.3092 9.9209 9.9209 10.1290 10.1290 10.4350 10.4350 11.2397 11.2397 12.3821 12.3821 12.7998 12.7998 13.2835 13.2835 14.3189 14.3189 k = 0.0000 1.0467 0.2438 ( 4106 PWs) bands (ev): -50.3127 -50.3127 -50.3105 -50.3105 -24.6588 -24.6588 -24.6477 -24.6477 -17.0133 -17.0133 -17.0036 -17.0036 -16.9369 -16.9369 -16.8930 -16.8930 1.0334 1.0334 2.1838 2.1838 2.3563 2.3563 5.1254 5.1254 6.1808 6.1808 7.5464 7.5464 8.6268 8.6268 9.2733 9.2733 9.8158 9.8158 10.0664 10.0664 10.3382 10.3382 11.1469 11.1469 12.4419 12.4419 12.8456 12.8456 13.3359 13.3359 14.3634 14.3634 k = 0.0000 1.0467 0.2682 ( 4108 PWs) bands (ev): -50.3127 -50.3127 -50.3105 -50.3105 -24.6590 -24.6590 -24.6481 -24.6481 -17.0130 -17.0130 -17.0037 -17.0037 -16.9382 -16.9382 -16.8947 -16.8947 1.0554 1.0554 2.2107 2.2107 2.3833 2.3833 5.0988 5.0988 6.1927 6.1927 7.5805 7.5805 8.5910 8.5910 9.2275 9.2275 9.7142 9.7142 9.9690 9.9690 10.2747 10.2747 11.0527 11.0527 12.4999 12.4999 12.8879 12.8879 13.3890 13.3890 14.4008 14.4008 k = 0.0000 1.0467 0.2926 ( 4112 PWs) bands (ev): -50.3126 -50.3126 -50.3105 -50.3105 -24.6592 -24.6592 -24.6485 -24.6485 -17.0127 -17.0127 -17.0038 -17.0038 -16.9397 -16.9397 -16.8965 -16.8965 1.0795 1.0795 2.2400 2.2400 2.4128 2.4128 5.0672 5.0672 6.2084 6.2084 7.6164 7.6164 8.5554 8.5554 9.1689 9.1689 9.6198 9.6198 9.8463 9.8463 10.2359 10.2359 10.9582 10.9582 12.5563 12.5563 12.9266 12.9266 13.4420 13.4420 14.4273 14.4273 k = 0.0000 1.0467 0.3169 ( 4112 PWs) bands (ev): -50.3125 -50.3125 -50.3104 -50.3104 -24.6594 -24.6594 -24.6489 -24.6489 -17.0123 -17.0123 -17.0039 -17.0039 -16.9411 -16.9411 -16.8984 -16.8984 1.1056 1.1056 2.2717 2.2717 2.4448 2.4448 5.0304 5.0304 6.2282 6.2282 7.6537 7.6537 8.5202 8.5202 9.0959 9.0959 9.5340 9.5340 9.7135 9.7135 10.2089 10.2089 10.8640 10.8640 12.6114 12.6114 12.9622 12.9622 13.4942 13.4942 14.4481 14.4481 k = 0.0000 1.0467 0.3413 ( 4110 PWs) bands (ev): -50.3125 -50.3125 -50.3104 -50.3104 -24.6596 -24.6596 -24.6493 -24.6493 -17.0120 -17.0120 -17.0040 -17.0040 -16.9426 -16.9426 -16.9004 -16.9004 1.1338 1.1338 2.3057 2.3057 2.4790 2.4790 4.9883 4.9883 6.2520 6.2520 7.6915 7.6915 8.4859 8.4859 9.0090 9.0090 9.4519 9.4519 9.5837 9.5837 10.1869 10.1869 10.7706 10.7706 12.6655 12.6655 12.9950 12.9950 13.5452 13.5452 14.4676 14.4676 k = 0.0000 1.0467 0.3657 ( 4108 PWs) bands (ev): -50.3124 -50.3124 -50.3103 -50.3103 -24.6598 -24.6598 -24.6497 -24.6497 -17.0117 -17.0117 -17.0041 -17.0041 -16.9442 -16.9442 -16.9024 -16.9024 1.1641 1.1641 2.3419 2.3419 2.5155 2.5155 4.9410 4.9410 6.2799 6.2799 7.7287 7.7287 8.4523 8.4523 8.9117 8.9117 9.3554 9.3554 9.4770 9.4770 10.1670 10.1670 10.6785 10.6785 12.7190 12.7190 13.0258 13.0258 13.5946 13.5946 14.4869 14.4869 k = 0.0000 1.0467 0.3901 ( 4120 PWs) bands (ev): -50.3123 -50.3123 -50.3103 -50.3103 -24.6602 -24.6602 -24.6503 -24.6503 -17.0115 -17.0115 -17.0043 -17.0043 -16.9458 -16.9458 -16.9046 -16.9046 1.1963 1.1963 2.3802 2.3802 2.5543 2.5543 4.8888 4.8888 6.3119 6.3119 7.7636 7.7636 8.4194 8.4194 8.8089 8.8089 9.2324 9.2324 9.4048 9.4048 10.1477 10.1477 10.5880 10.5880 12.7718 12.7718 13.0554 13.0554 13.6422 13.6422 14.5064 14.5064 k = 0.0000 1.0467 0.4145 ( 4116 PWs) bands (ev): -50.3122 -50.3122 -50.3103 -50.3103 -24.6604 -24.6604 -24.6507 -24.6507 -17.0113 -17.0113 -17.0045 -17.0045 -16.9473 -16.9473 -16.9067 -16.9067 1.2307 1.2307 2.4205 2.4205 2.5952 2.5952 4.8319 4.8319 6.3476 6.3476 7.7938 7.7938 8.3865 8.3865 8.7061 8.7061 9.0980 9.0980 9.3510 9.3510 10.1287 10.1287 10.4996 10.4996 12.8243 12.8243 13.0846 13.0846 13.6878 13.6878 14.5261 14.5261 k = 0.0000 1.0467 0.4388 ( 4114 PWs) bands (ev): -50.3121 -50.3121 -50.3102 -50.3102 -24.6606 -24.6606 -24.6512 -24.6512 -17.0111 -17.0111 -17.0047 -17.0047 -16.9488 -16.9488 -16.9089 -16.9089 1.2670 1.2670 2.4629 2.4629 2.6383 2.6383 4.7707 4.7707 6.3868 6.3868 7.8152 7.8152 8.3525 8.3525 8.6097 8.6097 8.9635 8.9635 9.3046 9.3046 10.1095 10.1095 10.4134 10.4134 12.8763 12.8763 13.1142 13.1142 13.7314 13.7314 14.5459 14.5459 k = 0.0000 1.0467 0.4632 ( 4112 PWs) bands (ev): -50.3120 -50.3120 -50.3102 -50.3102 -24.6608 -24.6608 -24.6518 -24.6518 -17.0110 -17.0110 -17.0050 -17.0050 -16.9502 -16.9502 -16.9111 -16.9111 1.3053 1.3053 2.5070 2.5070 2.6833 2.6833 4.7055 4.7055 6.4292 6.4292 7.8221 7.8221 8.3146 8.3146 8.5271 8.5271 8.8348 8.8348 9.2612 9.2612 10.0899 10.0899 10.3297 10.3297 12.9280 12.9280 13.1448 13.1448 13.7732 13.7732 14.5655 14.5655 k = 0.0000 1.0467 0.4876 ( 4108 PWs) bands (ev): -50.3119 -50.3119 -50.3102 -50.3102 -24.6610 -24.6610 -24.6523 -24.6523 -17.0109 -17.0109 -17.0052 -17.0052 -16.9516 -16.9516 -16.9133 -16.9133 1.3457 1.3457 2.5529 2.5529 2.7302 2.7302 4.6369 4.6369 6.4742 6.4742 7.8076 7.8076 8.2693 8.2693 8.4657 8.4657 8.7178 8.7178 9.2192 9.2192 10.0700 10.0700 10.2488 10.2488 12.9792 12.9792 13.1772 13.1772 13.8133 13.8133 14.5848 14.5848 k = 0.0000 1.0467 0.5120 ( 4108 PWs) bands (ev): -50.3118 -50.3118 -50.3101 -50.3101 -24.6612 -24.6612 -24.6528 -24.6528 -17.0109 -17.0109 -17.0055 -17.0055 -16.9529 -16.9529 -16.9155 -16.9155 1.3880 1.3880 2.6003 2.6003 2.7788 2.7788 4.5653 4.5653 6.5214 6.5214 7.7667 7.7667 8.2121 8.2121 8.4284 8.4284 8.6205 8.6205 9.1775 9.1775 10.0494 10.0494 10.1712 10.1712 13.0300 13.0300 13.2119 13.2119 13.8519 13.8519 14.6032 14.6032 k = 0.0000 1.0467 0.5364 ( 4108 PWs) bands (ev): -50.3117 -50.3117 -50.3101 -50.3101 -24.6614 -24.6614 -24.6533 -24.6533 -17.0110 -17.0110 -17.0059 -17.0059 -16.9540 -16.9540 -16.9177 -16.9177 1.4323 1.4323 2.6491 2.6491 2.8292 2.8292 4.4910 4.4910 6.5701 6.5701 7.7000 7.7000 8.1394 8.1394 8.4092 8.4092 8.5532 8.5532 9.1356 9.1356 10.0270 10.0270 10.0981 10.0981 13.0804 13.0804 13.2493 13.2493 13.8893 13.8893 14.6197 14.6197 k = 0.0000 1.0467 0.5607 ( 4108 PWs) bands (ev): -50.3116 -50.3116 -50.3100 -50.3100 -24.6616 -24.6616 -24.6539 -24.6539 -17.0112 -17.0112 -17.0062 -17.0062 -16.9551 -16.9551 -16.9199 -16.9199 1.4785 1.4785 2.6991 2.6991 2.8810 2.8810 4.4147 4.4147 6.6195 6.6195 7.6137 7.6137 8.0506 8.0506 8.3957 8.3957 8.5236 8.5236 9.0935 9.0935 9.9963 9.9963 10.0364 10.0364 13.1304 13.1304 13.2895 13.2895 13.9259 13.9259 14.6322 14.6322 k = 0.0000 1.0467 0.5851 ( 4110 PWs) bands (ev): -50.3115 -50.3115 -50.3100 -50.3100 -24.6618 -24.6618 -24.6544 -24.6544 -17.0115 -17.0115 -17.0067 -17.0067 -16.9560 -16.9560 -16.9221 -16.9221 1.5267 1.5267 2.7499 2.7499 2.9342 2.9342 4.3367 4.3367 6.6684 6.6684 7.5148 7.5148 7.9509 7.9509 8.3808 8.3808 8.5277 8.5277 9.0511 9.0511 9.9423 9.9423 10.0011 10.0011 13.1803 13.1803 13.3325 13.3325 13.9620 13.9620 14.6351 14.6351 k = 0.0000 1.0467 0.6095 ( 4112 PWs) bands (ev): -50.3114 -50.3114 -50.3100 -50.3100 -24.6621 -24.6621 -24.6550 -24.6550 -17.0118 -17.0118 -17.0072 -17.0072 -16.9568 -16.9568 -16.9242 -16.9242 1.5768 1.5768 2.8013 2.8013 2.9884 2.9884 4.2576 4.2576 6.7153 6.7153 7.4088 7.4088 7.8473 7.8473 8.3674 8.3674 8.5513 8.5513 9.0085 9.0085 9.8798 9.8798 9.9779 9.9779 13.2305 13.2305 13.3777 13.3777 13.9980 13.9980 14.6214 14.6214 k = 0.0000 1.0467 0.6339 ( 4108 PWs) bands (ev): -50.3113 -50.3113 -50.3100 -50.3100 -24.6622 -24.6622 -24.6555 -24.6555 -17.0122 -17.0122 -17.0077 -17.0077 -16.9574 -16.9574 -16.9262 -16.9262 1.6288 1.6288 2.8529 2.8529 3.0436 3.0436 4.1780 4.1780 6.7579 6.7579 7.2995 7.2995 7.7465 7.7465 8.3578 8.3578 8.5832 8.5832 8.9664 8.9664 9.8188 9.8188 9.9570 9.9570 13.2814 13.2814 13.4246 13.4246 14.0344 14.0344 14.5916 14.5916 k = 0.0000 1.0467 0.6583 ( 4114 PWs) bands (ev): -50.3112 -50.3112 -50.3099 -50.3099 -24.6624 -24.6624 -24.6561 -24.6561 -17.0127 -17.0127 -17.0084 -17.0084 -16.9579 -16.9579 -16.9282 -16.9282 1.6826 1.6826 2.9040 2.9040 3.0995 3.0995 4.0984 4.0984 6.7928 6.7928 7.1894 7.1894 7.6544 7.6544 8.3522 8.3522 8.6170 8.6170 8.9256 8.9256 9.7613 9.7613 9.9368 9.9368 13.3336 13.3336 13.4725 13.4725 14.0717 14.0717 14.5516 14.5516 k = 0.0000 1.0467 0.6826 ( 4116 PWs) bands (ev): -50.3111 -50.3111 -50.3099 -50.3099 -24.6626 -24.6626 -24.6566 -24.6566 -17.0132 -17.0132 -17.0091 -17.0091 -16.9582 -16.9582 -16.9302 -16.9302 1.7382 1.7382 2.9540 2.9540 3.1556 3.1556 4.0196 4.0196 6.8151 6.8151 7.0803 7.0803 7.5775 7.5775 8.3502 8.3502 8.6473 8.6473 8.8883 8.8883 9.7081 9.7081 9.9171 9.9171 13.3872 13.3872 13.5210 13.5210 14.1100 14.1100 14.5060 14.5060 k = 0.0000 1.0467 0.7070 ( 4122 PWs) bands (ev): -50.3110 -50.3110 -50.3099 -50.3099 -24.6628 -24.6628 -24.6571 -24.6571 -17.0137 -17.0137 -17.0098 -17.0098 -16.9584 -16.9584 -16.9321 -16.9321 1.7957 1.7957 3.0018 3.0018 3.2118 3.2118 3.9426 3.9426 6.8192 6.8192 6.9734 6.9734 7.5224 7.5224 8.3514 8.3514 8.6676 8.6676 8.8584 8.8584 9.6600 9.6600 9.8977 9.8977 13.4421 13.4421 13.5696 13.5696 14.1494 14.1494 14.4585 14.4585 k = 0.0000 1.0467 0.7314 ( 4120 PWs) bands (ev): -50.3109 -50.3109 -50.3099 -50.3099 -24.6629 -24.6629 -24.6576 -24.6576 -17.0142 -17.0142 -17.0105 -17.0105 -16.9584 -16.9584 -16.9339 -16.9339 1.8549 1.8549 3.0460 3.0460 3.2676 3.2676 3.8688 3.8688 6.8003 6.8003 6.8701 6.8701 7.4940 7.4940 8.3554 8.3554 8.6705 8.6705 8.8419 8.8419 9.6178 9.6178 9.8785 9.8785 13.4976 13.4976 13.6187 13.6187 14.1886 14.1886 14.4127 14.4127 k = 0.0000 1.0467 0.7558 ( 4114 PWs) bands (ev): -50.3108 -50.3108 -50.3099 -50.3099 -24.6629 -24.6629 -24.6581 -24.6581 -17.0146 -17.0146 -17.0112 -17.0112 -16.9583 -16.9583 -16.9356 -16.9356 1.9158 1.9158 3.0844 3.0844 3.3225 3.3225 3.8000 3.8000 6.7554 6.7554 6.7748 6.7748 7.4926 7.4926 8.3616 8.3616 8.6530 8.6530 8.8400 8.8400 9.5826 9.5826 9.8595 9.8595 13.5523 13.5523 13.6693 13.6693 14.2227 14.2227 14.3758 14.3758 k = 0.0000 1.0467 0.7802 ( 4114 PWs) bands (ev): -50.3107 -50.3107 -50.3099 -50.3099 -24.6630 -24.6630 -24.6586 -24.6586 -17.0151 -17.0151 -17.0120 -17.0120 -16.9580 -16.9580 -16.9372 -16.9372 1.9784 1.9784 3.1142 3.1142 3.3759 3.3759 3.7391 3.7391 6.6720 6.6720 6.7061 6.7061 7.5133 7.5133 8.3694 8.3694 8.6219 8.6219 8.8449 8.8449 9.5553 9.5553 9.8406 9.8406 13.6039 13.6039 13.7233 13.7233 14.2357 14.2357 14.3649 14.3649 k = 0.0000 1.0467 0.8045 ( 4114 PWs) bands (ev): -50.3106 -50.3106 -50.3099 -50.3099 -24.6630 -24.6630 -24.6590 -24.6590 -17.0156 -17.0156 -17.0128 -17.0128 -16.9576 -16.9576 -16.9389 -16.9389 2.0427 2.0427 3.1312 3.1312 3.4274 3.4274 3.6898 3.6898 6.5840 6.5840 6.6378 6.6378 7.5498 7.5498 8.3776 8.3776 8.5853 8.5853 8.8485 8.8485 9.5367 9.5367 9.8217 9.8217 13.6500 13.6500 13.7826 13.7826 14.2173 14.2173 14.3918 14.3918 k = 0.0000 1.0467 0.8289 ( 4110 PWs) bands (ev): -50.3106 -50.3106 -50.3099 -50.3099 -24.6630 -24.6630 -24.6594 -24.6594 -17.0160 -17.0160 -17.0135 -17.0135 -16.9571 -16.9571 -16.9404 -16.9404 2.1084 2.1084 3.1312 3.1312 3.4762 3.4762 3.6558 3.6558 6.5019 6.5019 6.5660 6.5660 7.5965 7.5965 8.3834 8.3834 8.5494 8.5494 8.8463 8.8463 9.5270 9.5270 9.8029 9.8029 13.6896 13.6896 13.8468 13.8468 14.1866 14.1866 14.4387 14.4387 k = 0.0000 1.0467 0.8533 ( 4112 PWs) bands (ev): -50.3105 -50.3105 -50.3099 -50.3099 -24.6630 -24.6630 -24.6598 -24.6598 -17.0164 -17.0164 -17.0142 -17.0142 -16.9566 -16.9566 -16.9418 -16.9418 2.1757 2.1757 3.1117 3.1117 3.5216 3.5216 3.6391 3.6391 6.4273 6.4273 6.4946 6.4946 7.6498 7.6498 8.3810 8.3810 8.5217 8.5217 8.8371 8.8371 9.5257 9.5257 9.7840 9.7840 13.7234 13.7234 13.9121 13.9121 14.1594 14.1594 14.4926 14.4926 k = 0.0000 1.0467 0.8777 ( 4112 PWs) bands (ev): -50.3104 -50.3104 -50.3099 -50.3099 -24.6630 -24.6630 -24.6603 -24.6603 -17.0168 -17.0168 -17.0149 -17.0149 -16.9559 -16.9559 -16.9432 -16.9432 2.2444 2.2444 3.0742 3.0742 3.5629 3.5629 3.6377 3.6377 6.3612 6.3612 6.4265 6.4265 7.7069 7.7069 8.3625 8.3625 8.5108 8.5108 8.8208 8.8208 9.5317 9.5317 9.7648 9.7648 13.7527 13.7527 13.9664 13.9664 14.1500 14.1500 14.5486 14.5486 k = 0.0000 1.0467 0.9021 ( 4112 PWs) bands (ev): -50.3103 -50.3103 -50.3099 -50.3099 -24.6629 -24.6629 -24.6606 -24.6606 -17.0171 -17.0171 -17.0155 -17.0155 -16.9552 -16.9552 -16.9446 -16.9446 2.3144 2.3144 3.0226 3.0226 3.5993 3.5993 3.6468 3.6468 6.3044 6.3044 6.3640 6.3640 7.7664 7.7664 8.3277 8.3277 8.5170 8.5170 8.7985 8.7985 9.5435 9.5435 9.7454 9.7454 13.7787 13.7787 13.9886 13.9886 14.1800 14.1800 14.6025 14.6025 k = 0.0000 1.0467 0.9264 ( 4106 PWs) bands (ev): -50.3103 -50.3103 -50.3099 -50.3099 -24.6628 -24.6628 -24.6609 -24.6609 -17.0172 -17.0172 -17.0160 -17.0160 -16.9544 -16.9544 -16.9459 -16.9459 2.3855 2.3855 2.9616 2.9616 3.6303 3.6303 3.6609 3.6609 6.2579 6.2579 6.3089 6.3089 7.8269 7.8269 8.2829 8.2829 8.5341 8.5341 8.7717 8.7717 9.5595 9.5595 9.7256 9.7256 13.8024 13.8024 13.9798 13.9798 14.2473 14.2473 14.6491 14.6491 k = 0.0000 1.0467 0.9508 ( 4106 PWs) bands (ev): -50.3102 -50.3102 -50.3099 -50.3099 -24.6626 -24.6626 -24.6613 -24.6613 -17.0174 -17.0174 -17.0164 -17.0164 -16.9535 -16.9535 -16.9471 -16.9471 2.4577 2.4577 2.8946 2.8946 3.6556 3.6556 3.6754 3.6754 6.2225 6.2225 6.2627 6.2627 7.8878 7.8878 8.2329 8.2329 8.5573 8.5573 8.7418 8.7418 9.5784 9.5784 9.7054 9.7054 13.8248 13.8248 13.9594 13.9594 14.3314 14.3314 14.6799 14.6799 k = 0.0000 1.0467 0.9752 ( 4108 PWs) bands (ev): -50.3101 -50.3101 -50.3100 -50.3100 -24.6625 -24.6625 -24.6616 -24.6616 -17.0175 -17.0175 -17.0168 -17.0168 -16.9526 -16.9526 -16.9484 -16.9484 2.5307 2.5307 2.8240 2.8240 3.6748 3.6748 3.6870 3.6870 6.1988 6.1988 6.2265 6.2265 7.9483 7.9483 8.1796 8.1796 8.5843 8.5843 8.7101 8.7101 9.5990 9.5990 9.6846 9.6846 13.8465 13.8465 13.9361 13.9361 14.4210 14.4210 14.6831 14.6831 k = 0.0000 1.0467 0.9996 ( 4116 PWs) bands (ev): -50.3101 -50.3101 -50.3100 -50.3100 -24.6623 -24.6623 -24.6619 -24.6619 -17.0175 -17.0175 -17.0171 -17.0171 -16.9516 -16.9516 -16.9495 -16.9495 2.6042 2.6042 2.7515 2.7515 3.6876 3.6876 3.6936 3.6936 6.1874 6.1874 6.2015 6.2015 8.0081 8.0081 8.1241 8.1241 8.6139 8.6139 8.6776 8.6776 9.6203 9.6203 9.6635 9.6635 13.8681 13.8681 13.9128 13.9128 14.5095 14.5095 14.6515 14.6515 k = 0.0000 1.0467 1.0240 ( 4112 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6621 -24.6621 -24.6621 -24.6621 -17.0173 -17.0173 -17.0173 -17.0173 -16.9506 -16.9506 -16.9506 -16.9506 2.6780 2.6780 2.6780 2.6780 3.6939 3.6939 3.6939 3.6939 6.1883 6.1883 6.1883 6.1883 8.0668 8.0668 8.0668 8.0668 8.6452 8.6452 8.6452 8.6452 9.6420 9.6420 9.6420 9.6420 13.8901 13.8901 13.8901 13.8901 14.5897 14.5897 14.5897 14.5897 k = 0.0000 1.0467 1.0240 ( 4112 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6621 -24.6621 -24.6621 -24.6621 -17.0173 -17.0173 -17.0173 -17.0173 -16.9506 -16.9506 -16.9506 -16.9506 2.6780 2.6780 2.6780 2.6780 3.6939 3.6939 3.6939 3.6939 6.1883 6.1883 6.1883 6.1883 8.0668 8.0668 8.0668 8.0668 8.6452 8.6452 8.6452 8.6452 9.6420 9.6420 9.6420 9.6420 13.8901 13.8901 13.8901 13.8901 14.5897 14.5897 14.5897 14.5897 k = 0.0242 1.0467 1.0240 ( 4114 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6621 -24.6621 -24.6621 -24.6621 -17.0174 -17.0174 -17.0173 -17.0173 -16.9507 -16.9507 -16.9506 -16.9506 2.6772 2.6772 2.6787 2.6787 3.6932 3.6932 3.6943 3.6943 6.1848 6.1848 6.1912 6.1912 8.0681 8.0681 8.0685 8.0685 8.6373 8.6373 8.6519 8.6519 9.6403 9.6403 9.6447 9.6447 13.8770 13.8770 13.8878 13.8878 14.5848 14.5848 14.6058 14.6058 k = 0.0484 1.0467 1.0240 ( 4112 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6621 -24.6621 -24.6621 -24.6621 -17.0174 -17.0174 -17.0172 -17.0172 -16.9507 -16.9507 -16.9505 -16.9505 2.6765 2.6765 2.6795 2.6795 3.6920 3.6920 3.6943 3.6943 6.1806 6.1806 6.1932 6.1932 8.0723 8.0723 8.0730 8.0730 8.6283 8.6283 8.6573 8.6573 9.6396 9.6396 9.6484 9.6484 13.8503 13.8503 13.8707 13.8707 14.5906 14.5906 14.6308 14.6308 k = 0.0726 1.0467 1.0240 ( 4104 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6621 -24.6621 -24.6620 -24.6620 -17.0174 -17.0174 -17.0172 -17.0172 -16.9507 -16.9507 -16.9504 -16.9504 2.6758 2.6758 2.6802 2.6802 3.6905 3.6905 3.6940 3.6940 6.1759 6.1759 6.1943 6.1943 8.0794 8.0794 8.0801 8.0801 8.6184 8.6184 8.6615 8.6615 9.6399 9.6399 9.6528 9.6528 13.8138 13.8138 13.8418 13.8418 14.6042 14.6042 14.6606 14.6606 k = 0.0968 1.0467 1.0240 ( 4096 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6620 -24.6620 -24.6620 -24.6620 -17.0173 -17.0173 -17.0171 -17.0171 -16.9507 -16.9507 -16.9503 -16.9503 2.6750 2.6750 2.6808 2.6808 3.6886 3.6886 3.6932 3.6932 6.1711 6.1711 6.1948 6.1948 8.0892 8.0892 8.0894 8.0894 8.6079 8.6079 8.6645 8.6645 9.6410 9.6410 9.6577 9.6577 13.7713 13.7713 13.8051 13.8051 14.6222 14.6222 14.6911 14.6911 k = 0.1210 1.0467 1.0240 ( 4100 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6620 -24.6620 -24.6620 -24.6620 -17.0174 -17.0174 -17.0170 -17.0170 -16.9507 -16.9507 -16.9503 -16.9503 2.6743 2.6743 2.6814 2.6814 3.6863 3.6863 3.6921 3.6921 6.1663 6.1663 6.1946 6.1946 8.1004 8.1004 8.1012 8.1012 8.5972 8.5972 8.6666 8.6666 9.6425 9.6425 9.6628 9.6628 13.7262 13.7262 13.7645 13.7645 14.6416 14.6416 14.7193 14.7193 k = 0.1452 1.0467 1.0240 ( 4098 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6620 -24.6620 -24.6620 -24.6620 -17.0173 -17.0173 -17.0170 -17.0170 -16.9508 -16.9508 -16.9502 -16.9502 2.6736 2.6736 2.6819 2.6819 3.6836 3.6836 3.6906 3.6906 6.1620 6.1620 6.1941 6.1941 8.1127 8.1127 8.1149 8.1149 8.5868 8.5868 8.6680 8.6680 9.6441 9.6441 9.6677 9.6677 13.6815 13.6815 13.7230 13.7230 14.6606 14.6606 14.7443 14.7443 k = 0.1694 1.0467 1.0240 ( 4100 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6620 -24.6620 -24.6620 -24.6620 -17.0173 -17.0173 -17.0169 -17.0169 -16.9508 -16.9508 -16.9502 -16.9502 2.6729 2.6729 2.6822 2.6822 3.6804 3.6804 3.6886 3.6886 6.1584 6.1584 6.1934 6.1934 8.1256 8.1256 8.1296 8.1296 8.5772 8.5772 8.6690 8.6690 9.6455 9.6455 9.6721 9.6721 13.6393 13.6393 13.6833 13.6833 14.6782 14.6782 14.7662 14.7662 k = 0.1936 1.0467 1.0240 ( 4108 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6621 -24.6621 -24.6620 -24.6620 -17.0173 -17.0173 -17.0169 -17.0169 -16.9509 -16.9509 -16.9502 -16.9502 2.6722 2.6722 2.6825 2.6825 3.6768 3.6768 3.6862 3.6862 6.1559 6.1559 6.1927 6.1927 8.1386 8.1386 8.1444 8.1444 8.5692 8.5692 8.6699 8.6699 9.6463 9.6463 9.6755 9.6755 13.6013 13.6013 13.6470 13.6470 14.6939 14.6939 14.7857 14.7857 k = 0.2178 1.0467 1.0240 ( 4112 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6621 -24.6621 -24.6620 -24.6620 -17.0172 -17.0172 -17.0168 -17.0168 -16.9509 -16.9509 -16.9502 -16.9502 2.6714 2.6714 2.6826 2.6826 3.6728 3.6728 3.6834 3.6834 6.1547 6.1547 6.1925 6.1925 8.1511 8.1511 8.1583 8.1583 8.5633 8.5633 8.6709 8.6709 9.6463 9.6463 9.6778 9.6778 13.5689 13.5689 13.6158 13.6158 14.7073 14.7073 14.8035 14.8035 k = 0.2420 1.0467 1.0240 ( 4108 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6621 -24.6621 -24.6620 -24.6620 -17.0171 -17.0171 -17.0168 -17.0168 -16.9509 -16.9509 -16.9502 -16.9502 2.6707 2.6707 2.6825 2.6825 3.6683 3.6683 3.6802 3.6802 6.1552 6.1552 6.1929 6.1929 8.1624 8.1624 8.1703 8.1703 8.5604 8.5604 8.6723 8.6723 9.6451 9.6451 9.6787 9.6787 13.5431 13.5431 13.5905 13.5905 14.7179 14.7179 14.8199 14.8199 k = 0.2662 1.0467 1.0240 ( 4114 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6621 -24.6621 -24.6620 -24.6620 -17.0171 -17.0171 -17.0167 -17.0167 -16.9509 -16.9509 -16.9502 -16.9502 2.6698 2.6698 2.6821 2.6821 3.6634 3.6634 3.6765 3.6765 6.1577 6.1577 6.1944 6.1944 8.1719 8.1719 8.1793 8.1793 8.5611 8.5611 8.6741 8.6741 9.6427 9.6427 9.6781 9.6781 13.5246 13.5246 13.5720 13.5720 14.7252 14.7252 14.8351 14.8351 k = 0.2662 1.0467 1.0240 ( 4114 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6621 -24.6621 -24.6620 -24.6620 -17.0171 -17.0171 -17.0167 -17.0167 -16.9509 -16.9509 -16.9502 -16.9502 2.6698 2.6698 2.6821 2.6821 3.6634 3.6634 3.6765 3.6765 6.1577 6.1577 6.1944 6.1944 8.1719 8.1719 8.1793 8.1793 8.5611 8.5611 8.6741 8.6741 9.6427 9.6427 9.6781 9.6781 13.5246 13.5246 13.5720 13.5720 14.7252 14.7252 14.8351 14.8351 k = 0.2601 1.0229 1.0240 ( 4108 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6621 -24.6621 -24.6620 -24.6620 -17.0174 -17.0174 -17.0169 -17.0169 -16.9509 -16.9509 -16.9502 -16.9502 2.6727 2.6727 2.6832 2.6832 3.6809 3.6809 3.6889 3.6889 6.1491 6.1491 6.1923 6.1923 8.1370 8.1370 8.1495 8.1495 8.5511 8.5511 8.6661 8.6661 9.6546 9.6546 9.6832 9.6832 13.5860 13.5860 13.6350 13.6350 14.6986 14.6986 14.7709 14.7709 k = 0.2541 0.9991 1.0240 ( 4100 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6620 -24.6620 -24.6620 -24.6620 -17.0175 -17.0175 -17.0169 -17.0169 -16.9509 -16.9509 -16.9502 -16.9502 2.6742 2.6742 2.6828 2.6828 3.6913 3.6913 3.6940 3.6940 6.1524 6.1524 6.2025 6.2025 8.1024 8.1024 8.1192 8.1192 8.5426 8.5426 8.6588 8.6588 9.6659 9.6659 9.6879 9.6879 13.6469 13.6469 13.6981 13.6981 14.6647 14.6647 14.7020 14.7020 k = 0.2480 0.9753 1.0240 ( 4096 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6620 -24.6620 -24.6620 -24.6620 -17.0176 -17.0176 -17.0169 -17.0169 -16.9509 -16.9509 -16.9502 -16.9502 2.6741 2.6741 2.6809 2.6809 3.6921 3.6921 3.6946 3.6946 6.1676 6.1676 6.2247 6.2247 8.0682 8.0682 8.0884 8.0884 8.5356 8.5356 8.6524 8.6524 9.6773 9.6773 9.6926 9.6926 13.7016 13.7016 13.7556 13.7556 14.6294 14.6294 14.6379 14.6379 k = 0.2420 0.9515 1.0240 ( 4094 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6620 -24.6620 -24.6619 -24.6619 -17.0175 -17.0175 -17.0167 -17.0167 -16.9509 -16.9509 -16.9502 -16.9502 2.6722 2.6722 2.6772 2.6772 3.6837 3.6837 3.6912 3.6912 6.1944 6.1944 6.2586 6.2586 8.0343 8.0343 8.0569 8.0569 8.5302 8.5302 8.6471 8.6471 9.6894 9.6894 9.6981 9.6981 13.7415 13.7415 13.7995 13.7995 14.5898 14.5898 14.6026 14.6026 k = 0.2359 0.9278 1.0240 ( 4090 PWs) bands (ev): -50.3100 -50.3100 -50.3100 -50.3100 -24.6619 -24.6619 -24.6619 -24.6619 -17.0172 -17.0172 -17.0163 -17.0163 -16.9509 -16.9509 -16.9503 -16.9503 2.6685 2.6685 2.6718 2.6718 3.6694 3.6694 3.6814 3.6814 6.2323 6.2323 6.3035 6.3035 8.0005 8.0005 8.0247 8.0247 8.5266 8.5266 8.6430 8.6430 9.7025 9.7025 9.7050 9.7050 13.7570 13.7570 13.8202 13.8202 14.5690 14.5690 14.5958 14.5958 k = 0.2299 0.9040 1.0240 ( 4096 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6619 -24.6619 -24.6618 -24.6618 -17.0169 -17.0169 -17.0158 -17.0158 -16.9510 -16.9510 -16.9504 -16.9504 2.6628 2.6628 2.6644 2.6644 3.6500 3.6500 3.6660 3.6660 6.2805 6.2805 6.3585 6.3585 7.9669 7.9669 7.9917 7.9917 8.5250 8.5250 8.6404 8.6404 9.7136 9.7136 9.7173 9.7173 13.7415 13.7415 13.8110 13.8110 14.5828 14.5828 14.6173 14.6173 k = 0.2238 0.8802 1.0240 ( 4092 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6618 -24.6618 -24.6616 -24.6616 -17.0163 -17.0163 -17.0152 -17.0152 -16.9510 -16.9510 -16.9504 -16.9504 2.6550 2.6550 2.6550 2.6550 3.6265 3.6265 3.6459 3.6459 6.3381 6.3381 6.4227 6.4227 7.9335 7.9335 7.9579 7.9579 8.5258 8.5258 8.6395 8.6395 9.7245 9.7245 9.7339 9.7339 13.6965 13.6965 13.7723 13.7723 14.6293 14.6293 14.6672 14.6672 k = 0.2178 0.8564 1.0240 ( 4096 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6617 -24.6617 -24.6615 -24.6615 -17.0157 -17.0157 -17.0145 -17.0145 -16.9511 -16.9511 -16.9505 -16.9505 2.6436 2.6436 2.6448 2.6448 3.5997 3.5997 3.6219 3.6219 6.4040 6.4040 6.4949 6.4949 7.9004 7.9004 7.9236 7.9236 8.5290 8.5290 8.6406 8.6406 9.7380 9.7380 9.7529 9.7529 13.6294 13.6294 13.7109 13.7109 14.7000 14.7000 14.7381 14.7381 k = 0.2117 0.8326 1.0240 ( 4110 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6617 -24.6617 -24.6614 -24.6614 -17.0151 -17.0151 -17.0137 -17.0137 -16.9511 -16.9511 -16.9505 -16.9505 2.6299 2.6299 2.6322 2.6322 3.5706 3.5706 3.5949 3.5949 6.4769 6.4769 6.5738 6.5738 7.8680 7.8680 7.8891 7.8891 8.5349 8.5349 8.6440 8.6440 9.7544 9.7544 9.7744 9.7744 13.5483 13.5483 13.6345 13.6345 14.7842 14.7842 14.8197 14.8197 k = 0.2057 0.8088 1.0240 ( 4110 PWs) bands (ev): -50.3102 -50.3102 -50.3102 -50.3102 -24.6615 -24.6615 -24.6612 -24.6612 -17.0142 -17.0142 -17.0127 -17.0127 -16.9512 -16.9512 -16.9506 -16.9506 2.6139 2.6139 2.6171 2.6171 3.5401 3.5401 3.5657 3.5657 6.5553 6.5553 6.6581 6.6581 7.8369 7.8369 7.8551 7.8551 8.5437 8.5437 8.6500 8.6500 9.7739 9.7739 9.7987 9.7987 13.4593 13.4593 13.5492 13.5492 14.8705 14.8705 14.9007 14.9007 k = 0.1996 0.7850 1.0240 ( 4114 PWs) bands (ev): -50.3102 -50.3102 -50.3102 -50.3102 -24.6614 -24.6614 -24.6610 -24.6610 -17.0132 -17.0132 -17.0117 -17.0117 -16.9512 -16.9512 -16.9506 -16.9506 2.5957 2.5957 2.5995 2.5995 3.5089 3.5089 3.5352 3.5352 6.6377 6.6377 6.7459 6.7459 7.8078 7.8078 7.8226 7.8226 8.5556 8.5556 8.6587 8.6587 9.7965 9.7965 9.8258 9.8258 13.3663 13.3663 13.4592 13.4592 14.9466 14.9466 14.9677 14.9677 k = 0.1936 0.7612 1.0240 ( 4114 PWs) bands (ev): -50.3102 -50.3102 -50.3102 -50.3102 -24.6612 -24.6612 -24.6608 -24.6608 -17.0121 -17.0121 -17.0105 -17.0105 -16.9512 -16.9512 -16.9507 -16.9507 2.5752 2.5752 2.5792 2.5792 3.4777 3.4777 3.5040 3.5040 6.7219 6.7219 6.8352 6.8352 7.7822 7.7822 7.7932 7.7932 8.5707 8.5707 8.6704 8.6704 9.8224 9.8224 9.8559 9.8559 13.2720 13.2720 13.3671 13.3671 14.9998 14.9998 15.0099 15.0099 k = 0.1875 0.7374 1.0240 ( 4114 PWs) bands (ev): -50.3103 -50.3103 -50.3103 -50.3103 -24.6609 -24.6609 -24.6605 -24.6605 -17.0110 -17.0110 -17.0093 -17.0093 -16.9511 -16.9511 -16.9506 -16.9506 2.5524 2.5524 2.5564 2.5564 3.4470 3.4470 3.4728 3.4728 6.8055 6.8055 6.9229 6.9229 7.7620 7.7620 7.7695 7.7695 8.5892 8.5892 8.6853 8.6853 9.8516 9.8516 9.8890 9.8890 13.1778 13.1778 13.2747 13.2747 15.0273 15.0273 15.0280 15.0280 k = 0.1815 0.7137 1.0240 ( 4114 PWs) bands (ev): -50.3103 -50.3103 -50.3103 -50.3103 -24.6607 -24.6607 -24.6603 -24.6603 -17.0097 -17.0097 -17.0080 -17.0080 -16.9511 -16.9511 -16.9506 -16.9506 2.5274 2.5274 2.5311 2.5311 3.4172 3.4172 3.4419 3.4419 6.8849 6.8849 7.0047 7.0047 7.7500 7.7500 7.7552 7.7552 8.6110 8.6110 8.7033 8.7033 9.8840 9.8840 9.9251 9.9251 13.0851 13.0851 13.1835 13.1835 15.0313 15.0313 15.0366 15.0366 k = 0.1754 0.6899 1.0240 ( 4114 PWs) bands (ev): -50.3104 -50.3104 -50.3104 -50.3104 -24.6604 -24.6604 -24.6599 -24.6599 -17.0084 -17.0084 -17.0066 -17.0066 -16.9509 -16.9509 -16.9505 -16.9505 2.5003 2.5003 2.5035 2.5035 3.3886 3.3886 3.4118 3.4118 6.9558 6.9558 7.0748 7.0748 7.7503 7.7503 7.7560 7.7560 8.6363 8.6363 8.7248 8.7248 9.9195 9.9195 9.9642 9.9642 12.9945 12.9945 13.0941 13.0941 15.0265 15.0265 15.0354 15.0354 k = 0.1694 0.6661 1.0240 ( 4114 PWs) bands (ev): -50.3104 -50.3104 -50.3104 -50.3104 -24.6601 -24.6601 -24.6596 -24.6596 -17.0071 -17.0071 -17.0053 -17.0053 -16.9508 -16.9508 -16.9504 -16.9504 2.4713 2.4713 2.4738 2.4738 3.3614 3.3614 3.3827 3.3827 7.0133 7.0133 7.1267 7.1267 7.7673 7.7673 7.7780 7.7780 8.6652 8.6652 8.7498 8.7498 9.9580 9.9580 10.0062 10.0062 12.9067 12.9067 13.0073 13.0073 15.0169 15.0169 15.0281 15.0281 k = 0.1633 0.6423 1.0240 ( 4102 PWs) bands (ev): -50.3105 -50.3105 -50.3105 -50.3105 -24.6597 -24.6597 -24.6592 -24.6592 -17.0057 -17.0057 -17.0038 -17.0038 -16.9505 -16.9505 -16.9501 -16.9501 2.4405 2.4405 2.4422 2.4422 3.3357 3.3357 3.3549 3.3549 7.0532 7.0532 7.1559 7.1559 7.8048 7.8048 7.8253 7.8253 8.6977 8.6977 8.7783 8.7783 9.9995 9.9995 10.0510 10.0510 12.8220 12.8220 12.9236 12.9236 15.0041 15.0041 15.0167 15.0167 k = 0.1573 0.6185 1.0240 ( 4114 PWs) bands (ev): -50.3105 -50.3105 -50.3105 -50.3105 -24.6595 -24.6595 -24.6590 -24.6590 -17.0044 -17.0044 -17.0025 -17.0025 -16.9502 -16.9502 -16.9500 -16.9500 2.4083 2.4083 2.4090 2.4090 3.3116 3.3116 3.3285 3.3285 7.0742 7.0742 7.1629 7.1629 7.8639 7.8639 7.8970 7.8970 8.7342 8.7342 8.8104 8.8104 10.0436 10.0436 10.0986 10.0986 12.7408 12.7408 12.8434 12.8434 14.9888 14.9888 15.0024 15.0024 k = 0.1512 0.5947 1.0240 ( 4116 PWs) bands (ev): -50.3106 -50.3106 -50.3106 -50.3106 -24.6592 -24.6592 -24.6586 -24.6586 -17.0030 -17.0030 -17.0012 -17.0012 -16.9499 -16.9499 -16.9497 -16.9497 2.3746 2.3746 2.3749 2.3749 3.2890 3.2890 3.3034 3.3034 7.0779 7.0779 7.1525 7.1525 7.9422 7.9422 7.9879 7.9879 8.7747 8.7747 8.8464 8.8464 10.0903 10.0903 10.1488 10.1488 12.6634 12.6634 12.7671 12.7671 14.9713 14.9713 14.9854 14.9854 k = 0.1452 0.5709 1.0240 ( 4116 PWs) bands (ev): -50.3107 -50.3107 -50.3107 -50.3107 -24.6588 -24.6588 -24.6583 -24.6583 -17.0017 -17.0017 -16.9999 -16.9999 -16.9494 -16.9494 -16.9492 -16.9492 2.3392 2.3392 2.3405 2.3405 3.2678 3.2678 3.2797 3.2797 7.0681 7.0681 7.1300 7.1300 8.0357 8.0357 8.0920 8.0920 8.8197 8.8197 8.8864 8.8864 10.1394 10.1394 10.2015 10.2015 12.5901 12.5901 12.6950 12.6950 14.9515 14.9515 14.9661 14.9661 k = 0.1391 0.5471 1.0240 ( 4116 PWs) bands (ev): -50.3107 -50.3107 -50.3107 -50.3107 -24.6585 -24.6585 -24.6579 -24.6579 -17.0004 -17.0004 -16.9986 -16.9986 -16.9488 -16.9488 -16.9488 -16.9488 2.3031 2.3031 2.3055 2.3055 3.2480 3.2480 3.2574 3.2574 7.0487 7.0487 7.0999 7.0999 8.1399 8.1399 8.2042 8.2042 8.8697 8.8697 8.9306 8.9306 10.1906 10.1906 10.2566 10.2566 12.5212 12.5212 12.6275 12.6275 14.9293 14.9293 14.9441 14.9441 k = 0.1331 0.5233 1.0240 ( 4116 PWs) bands (ev): -50.3108 -50.3108 -50.3108 -50.3108 -24.6581 -24.6581 -24.6576 -24.6576 -16.9992 -16.9992 -16.9975 -16.9975 -16.9482 -16.9482 -16.9482 -16.9482 2.2667 2.2667 2.2701 2.2701 3.2294 3.2294 3.2364 3.2364 7.0227 7.0227 7.0650 7.0650 8.2508 8.2508 8.3202 8.3202 8.9255 8.9255 8.9794 8.9794 10.2437 10.2437 10.3140 10.3140 12.4568 12.4568 12.5649 12.5649 14.9039 14.9039 14.9192 14.9192 k = 0.1270 0.4996 1.0240 ( 4108 PWs) bands (ev): -50.3108 -50.3108 -50.3108 -50.3108 -24.6577 -24.6577 -24.6571 -24.6571 -16.9980 -16.9980 -16.9964 -16.9964 -16.9475 -16.9475 -16.9474 -16.9474 2.2303 2.2303 2.2345 2.2345 3.2120 3.2120 3.2167 3.2167 6.9926 6.9926 7.0275 7.0275 8.3653 8.3653 8.4366 8.4366 8.9882 8.9882 9.0333 9.0333 10.2986 10.2986 10.3735 10.3735 12.3974 12.3974 12.5075 12.5075 14.8746 14.8746 14.8908 14.8908 k = 0.1210 0.4758 1.0240 ( 4100 PWs) bands (ev): -50.3109 -50.3109 -50.3109 -50.3109 -24.6573 -24.6573 -24.6567 -24.6567 -16.9969 -16.9969 -16.9954 -16.9954 -16.9467 -16.9467 -16.9465 -16.9465 2.1942 2.1942 2.1992 2.1992 3.1956 3.1956 3.1983 3.1983 6.9598 6.9598 6.9885 6.9885 8.4804 8.4804 8.5503 8.5503 9.0592 9.0592 9.0930 9.0930 10.3549 10.3549 10.4349 10.4349 12.3430 12.3430 12.4557 12.4557 14.8401 14.8401 14.8579 14.8579 k = 0.1149 0.4520 1.0240 ( 4100 PWs) bands (ev): -50.3110 -50.3110 -50.3110 -50.3110 -24.6569 -24.6569 -24.6564 -24.6564 -16.9959 -16.9959 -16.9945 -16.9945 -16.9458 -16.9458 -16.9455 -16.9455 2.1586 2.1586 2.1642 2.1642 3.1802 3.1802 3.1809 3.1809 6.9257 6.9257 6.9492 6.9492 8.5935 8.5935 8.6581 8.6581 9.1398 9.1398 9.1593 9.1593 10.4126 10.4126 10.4982 10.4982 12.2942 12.2942 12.4098 12.4098 14.7987 14.7987 14.8194 14.8194 k = 0.1089 0.4282 1.0240 ( 4100 PWs) bands (ev): -50.3110 -50.3110 -50.3110 -50.3110 -24.6565 -24.6565 -24.6560 -24.6560 -16.9950 -16.9950 -16.9937 -16.9937 -16.9449 -16.9449 -16.9445 -16.9445 2.1237 2.1237 2.1298 2.1298 3.1646 3.1646 3.1656 3.1656 6.8909 6.8909 6.9100 6.9100 8.7023 8.7023 8.7581 8.7581 9.2308 9.2308 9.2330 9.2330 10.4714 10.4714 10.5632 10.5632 12.2511 12.2511 12.3703 12.3703 14.7485 14.7485 14.7740 14.7740 k = 0.1028 0.4044 1.0240 ( 4108 PWs) bands (ev): -50.3111 -50.3111 -50.3111 -50.3111 -24.6562 -24.6562 -24.6557 -24.6557 -16.9943 -16.9943 -16.9931 -16.9931 -16.9439 -16.9439 -16.9434 -16.9434 2.0897 2.0897 2.0963 2.0963 3.1494 3.1494 3.1519 3.1519 6.8562 6.8562 6.8715 6.8715 8.8046 8.8046 8.8491 8.8491 9.3148 9.3148 9.3318 9.3318 10.5313 10.5313 10.6298 10.6298 12.2142 12.2142 12.3375 12.3375 14.6879 14.6879 14.7202 14.7202 k = 0.0968 0.3806 1.0240 ( 4114 PWs) bands (ev): -50.3112 -50.3112 -50.3112 -50.3112 -24.6559 -24.6559 -24.6554 -24.6554 -16.9937 -16.9937 -16.9926 -16.9926 -16.9428 -16.9428 -16.9423 -16.9423 2.0570 2.0570 2.0638 2.0638 3.1352 3.1352 3.1390 3.1390 6.8219 6.8219 6.8341 6.8341 8.8991 8.8991 8.9315 8.9315 9.4043 9.4043 9.4409 9.4409 10.5925 10.5925 10.6982 10.6982 12.1839 12.1839 12.3118 12.3118 14.6165 14.6165 14.6569 14.6569 k = 0.0907 0.3568 1.0240 ( 4110 PWs) bands (ev): -50.3112 -50.3112 -50.3112 -50.3112 -24.6555 -24.6555 -24.6550 -24.6550 -16.9930 -16.9930 -16.9920 -16.9920 -16.9416 -16.9416 -16.9411 -16.9411 2.0255 2.0255 2.0326 2.0326 3.1219 3.1219 3.1267 3.1267 6.7886 6.7886 6.7980 6.7980 8.9855 8.9855 9.0067 9.0067 9.5002 9.5002 9.5550 9.5550 10.6552 10.6552 10.7684 10.7684 12.1606 12.1606 12.2936 12.2936 14.5352 14.5352 14.5841 14.5841 k = 0.0847 0.3330 1.0240 ( 4114 PWs) bands (ev): -50.3113 -50.3113 -50.3113 -50.3113 -24.6552 -24.6552 -24.6548 -24.6548 -16.9926 -16.9926 -16.9917 -16.9917 -16.9405 -16.9405 -16.9399 -16.9399 1.9955 1.9955 2.0026 2.0026 3.1095 3.1095 3.1152 3.1152 6.7564 6.7564 6.7635 6.7635 9.0643 9.0643 9.0760 9.0760 9.6004 9.6004 9.6706 9.6706 10.7200 10.7200 10.8408 10.8408 12.1445 12.1445 12.2831 12.2831 14.4461 14.4461 14.5026 14.5026 k = 0.0786 0.3093 1.0240 ( 4126 PWs) bands (ev): -50.3113 -50.3113 -50.3113 -50.3113 -24.6550 -24.6550 -24.6545 -24.6545 -16.9922 -16.9922 -16.9914 -16.9914 -16.9393 -16.9393 -16.9387 -16.9387 1.9672 1.9672 1.9742 1.9742 3.0980 3.0980 3.1044 3.1044 6.7256 6.7256 6.7308 6.7308 9.1364 9.1364 9.1408 9.1408 9.7018 9.7018 9.7841 9.7841 10.7880 10.7880 10.9156 10.9156 12.1359 12.1359 12.2804 12.2804 14.3516 14.3516 14.4139 14.4139 k = 0.0726 0.2855 1.0240 ( 4126 PWs) bands (ev): -50.3114 -50.3114 -50.3114 -50.3114 -24.6547 -24.6547 -24.6543 -24.6543 -16.9919 -16.9919 -16.9911 -16.9911 -16.9381 -16.9381 -16.9375 -16.9375 1.9405 1.9405 1.9474 1.9474 3.0875 3.0875 3.0942 3.0942 6.6965 6.6965 6.7001 6.7001 9.2019 9.2019 9.2028 9.2028 9.8012 9.8012 9.8920 9.8920 10.8605 10.8605 10.9937 10.9937 12.1349 12.1349 12.2853 12.2853 14.2542 14.2542 14.3204 14.3204 k = 0.0665 0.2617 1.0240 ( 4126 PWs) bands (ev): -50.3114 -50.3114 -50.3114 -50.3114 -24.6544 -24.6544 -24.6540 -24.6540 -16.9916 -16.9916 -16.9910 -16.9910 -16.9369 -16.9369 -16.9363 -16.9363 1.9157 1.9157 1.9223 1.9223 3.0778 3.0778 3.0848 3.0848 6.6692 6.6692 6.6715 6.6715 9.2597 9.2597 9.2643 9.2643 9.8958 9.8958 9.9910 9.9910 10.9389 10.9389 11.0756 11.0756 12.1411 12.1411 12.2973 12.2973 14.1560 14.1560 14.2241 14.2241 k = 0.0605 0.2379 1.0240 ( 4122 PWs) bands (ev): -50.3115 -50.3115 -50.3115 -50.3115 -24.6541 -24.6541 -24.6537 -24.6537 -16.9914 -16.9914 -16.9908 -16.9908 -16.9357 -16.9357 -16.9351 -16.9351 1.8928 1.8928 1.8991 1.8991 3.0690 3.0690 3.0760 3.0760 6.6438 6.6438 6.6451 6.6451 9.3144 9.3144 9.3215 9.3215 9.9830 9.9830 10.0785 10.0785 11.0246 11.0246 11.1623 11.1623 12.1539 12.1539 12.3154 12.3154 14.0593 14.0593 14.1273 14.1273 k = 0.0544 0.2141 1.0240 ( 4122 PWs) bands (ev): -50.3115 -50.3115 -50.3115 -50.3115 -24.6538 -24.6538 -24.6535 -24.6535 -16.9912 -16.9912 -16.9907 -16.9907 -16.9346 -16.9346 -16.9340 -16.9340 1.8719 1.8719 1.8778 1.8778 3.0611 3.0611 3.0679 3.0679 6.6205 6.6205 6.6210 6.6210 9.3659 9.3659 9.3746 9.3746 10.0607 10.0607 10.1526 10.1526 11.1184 11.1184 11.2542 11.2542 12.1721 12.1721 12.3378 12.3378 13.9663 13.9663 14.0324 14.0324 k = 0.0484 0.1903 1.0240 ( 4106 PWs) bands (ev): -50.3115 -50.3115 -50.3115 -50.3115 -24.6535 -24.6535 -24.6532 -24.6532 -16.9910 -16.9910 -16.9906 -16.9906 -16.9335 -16.9335 -16.9329 -16.9329 1.8531 1.8531 1.8585 1.8585 3.0541 3.0541 3.0606 3.0606 6.5993 6.5993 6.5993 6.5993 9.4142 9.4142 9.4236 9.4236 10.1279 10.1279 10.2128 10.2128 11.2201 11.2201 11.3514 11.3514 12.1938 12.1938 12.3623 12.3623 13.8796 13.8796 13.9416 13.9416 k = 0.0423 0.1665 1.0240 ( 4114 PWs) bands (ev): -50.3116 -50.3116 -50.3116 -50.3116 -24.6533 -24.6533 -24.6531 -24.6531 -16.9909 -16.9909 -16.9906 -16.9906 -16.9326 -16.9326 -16.9321 -16.9321 1.8364 1.8364 1.8413 1.8413 3.0480 3.0480 3.0540 3.0540 6.5800 6.5800 6.5804 6.5804 9.4587 9.4587 9.4682 9.4682 10.1840 10.1840 10.2597 10.2597 11.3285 11.3285 11.4536 11.4536 12.2164 12.2164 12.3854 12.3854 13.8020 13.8020 13.8578 13.8578 k = 0.0363 0.1427 1.0240 ( 4106 PWs) bands (ev): -50.3116 -50.3116 -50.3116 -50.3116 -24.6531 -24.6531 -24.6528 -24.6528 -16.9908 -16.9908 -16.9905 -16.9905 -16.9317 -16.9317 -16.9312 -16.9312 1.8219 1.8219 1.8262 1.8262 3.0427 3.0427 3.0481 3.0481 6.5632 6.5632 6.5639 6.5639 9.4991 9.4991 9.5082 9.5082 10.2296 10.2296 10.2945 10.2945 11.4414 11.4414 11.5598 11.5598 12.2364 12.2364 12.4032 12.4032 13.7372 13.7372 13.7840 13.7840 k = 0.0302 0.1189 1.0240 ( 4108 PWs) bands (ev): -50.3116 -50.3116 -50.3116 -50.3116 -24.6529 -24.6529 -24.6527 -24.6527 -16.9908 -16.9908 -16.9905 -16.9905 -16.9309 -16.9309 -16.9305 -16.9305 1.8096 1.8096 1.8132 1.8132 3.0383 3.0383 3.0430 3.0430 6.5490 6.5490 6.5497 6.5497 9.5349 9.5349 9.5432 9.5432 10.2656 10.2656 10.3193 10.3193 11.5566 11.5566 11.6684 11.6684 12.2496 12.2496 12.4106 12.4106 13.6884 13.6884 13.7235 13.7235 k = 0.0242 0.0952 1.0240 ( 4108 PWs) bands (ev): -50.3116 -50.3116 -50.3116 -50.3116 -24.6528 -24.6528 -24.6526 -24.6526 -16.9907 -16.9907 -16.9905 -16.9905 -16.9303 -16.9303 -16.9299 -16.9299 1.7996 1.7996 1.8025 1.8025 3.0349 3.0349 3.0387 3.0387 6.5373 6.5373 6.5381 6.5381 9.5655 9.5655 9.5726 9.5726 10.2933 10.2933 10.3357 10.3357 11.6712 11.6712 11.7775 11.7775 12.2515 12.2515 12.4033 12.4033 13.6581 13.6581 13.6794 13.6794 k = 0.0181 0.0714 1.0240 ( 4104 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6527 -24.6527 -24.6525 -24.6525 -16.9907 -16.9907 -16.9905 -16.9905 -16.9297 -16.9297 -16.9295 -16.9295 1.7919 1.7919 1.7941 1.7941 3.0323 3.0323 3.0353 3.0353 6.5282 6.5282 6.5289 6.5289 9.5903 9.5903 9.5959 9.5959 10.3142 10.3142 10.3455 10.3455 11.7825 11.7825 11.8845 11.8845 12.2385 12.2385 12.3780 12.3780 13.6459 13.6459 13.6534 13.6534 k = 0.0121 0.0476 1.0240 ( 4104 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6526 -24.6526 -24.6525 -24.6525 -16.9907 -16.9907 -16.9906 -16.9906 -16.9293 -16.9293 -16.9292 -16.9292 1.7864 1.7864 1.7879 1.7879 3.0306 3.0306 3.0326 3.0326 6.5218 6.5218 6.5223 6.5223 9.6088 9.6088 9.6127 9.6127 10.3294 10.3294 10.3501 10.3501 11.8872 11.8872 11.9853 11.9853 12.2096 12.2096 12.3340 12.3340 13.6444 13.6444 13.6470 13.6470 k = 0.0060 0.0238 1.0240 ( 4100 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6524 -24.6524 -16.9906 -16.9906 -16.9906 -16.9906 -16.9290 -16.9290 -16.9290 -16.9290 1.7833 1.7833 1.7841 1.7841 3.0298 3.0298 3.0308 3.0308 6.5180 6.5180 6.5182 6.5182 9.6205 9.6205 9.6225 9.6225 10.3401 10.3401 10.3504 10.3504 11.9814 11.9814 12.0655 12.0655 12.1763 12.1763 12.2738 12.2738 13.6472 13.6472 13.6522 13.6522 k = 0.0000 0.0000 1.0240 ( 4116 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9907 -16.9907 -16.9907 -16.9907 -16.9290 -16.9290 -16.9290 -16.9290 1.7825 1.7825 1.7825 1.7825 3.0299 3.0299 3.0299 3.0299 6.5168 6.5168 6.5168 6.5168 9.6251 9.6251 9.6251 9.6251 10.3470 10.3470 10.3470 10.3470 12.0565 12.0565 12.0565 12.0565 12.2055 12.2055 12.2055 12.2055 13.6525 13.6525 13.6525 13.6525 k = 0.0000 0.0000 1.0240 ( 4116 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9907 -16.9907 -16.9907 -16.9907 -16.9290 -16.9290 -16.9290 -16.9290 1.7825 1.7825 1.7825 1.7825 3.0299 3.0299 3.0299 3.0299 6.5168 6.5168 6.5168 6.5168 9.6251 9.6251 9.6251 9.6251 10.3470 10.3470 10.3470 10.3470 12.0565 12.0565 12.0565 12.0565 12.2055 12.2055 12.2055 12.2055 13.6525 13.6525 13.6525 13.6525 k = 0.0000 0.0000 0.9996 ( 4098 PWs) bands (ev): -50.3117 -50.3117 -50.3116 -50.3116 -24.6527 -24.6527 -24.6521 -24.6521 -16.9913 -16.9913 -16.9897 -16.9897 -16.9296 -16.9296 -16.9282 -16.9282 1.6630 1.6630 1.9038 1.9038 2.9347 2.9347 3.1263 3.1263 6.4066 6.4066 6.6304 6.6304 9.6161 9.6161 9.6351 9.6351 10.3383 10.3383 10.3536 10.3536 11.9746 11.9746 12.1255 12.1255 12.1618 12.1618 12.2638 12.2638 13.5386 13.5386 13.7706 13.7706 k = 0.0000 0.0000 0.9752 ( 4102 PWs) bands (ev): -50.3118 -50.3118 -50.3116 -50.3116 -24.6530 -24.6530 -24.6518 -24.6518 -16.9918 -16.9918 -16.9888 -16.9888 -16.9303 -16.9303 -16.9276 -16.9276 1.5454 1.5454 2.0265 2.0265 2.8410 2.8410 3.2235 3.2235 6.3002 6.3002 6.7469 6.7469 9.6081 9.6081 9.6458 9.6458 10.3279 10.3279 10.3578 10.3578 11.8937 11.8937 12.0862 12.0862 12.2282 12.2282 12.3215 12.3215 13.4319 13.4319 13.8895 13.8895 k = 0.0000 0.0000 0.9508 ( 4106 PWs) bands (ev): -50.3118 -50.3118 -50.3116 -50.3116 -24.6532 -24.6532 -24.6514 -24.6514 -16.9921 -16.9921 -16.9876 -16.9876 -16.9310 -16.9310 -16.9270 -16.9270 1.4298 1.4298 2.1503 2.1503 2.7494 2.7494 3.3213 3.3213 6.1983 6.1983 6.8659 6.8659 9.6013 9.6013 9.6570 9.6570 10.3162 10.3162 10.3590 10.3590 11.8154 11.8154 12.0351 12.0351 12.3067 12.3067 12.3763 12.3763 13.3361 13.3361 13.9934 13.9934 k = 0.0000 0.0000 0.9264 ( 4112 PWs) bands (ev): -50.3119 -50.3119 -50.3116 -50.3116 -24.6534 -24.6534 -24.6511 -24.6511 -16.9923 -16.9923 -16.9863 -16.9863 -16.9318 -16.9318 -16.9264 -16.9264 1.3164 1.3164 2.2739 2.2739 2.6609 2.6609 3.4192 3.4192 6.1015 6.1015 6.9870 6.9870 9.5958 9.5958 9.6684 9.6684 10.3032 10.3032 10.3570 10.3570 11.7404 11.7404 11.9882 11.9882 12.3732 12.3732 12.4306 12.4306 13.2565 13.2565 14.0093 14.0093 k = 0.0000 0.0000 0.9021 ( 4108 PWs) bands (ev): -50.3120 -50.3120 -50.3115 -50.3115 -24.6536 -24.6536 -24.6507 -24.6507 -16.9923 -16.9923 -16.9848 -16.9848 -16.9324 -16.9324 -16.9258 -16.9258 1.2053 1.2053 2.3919 2.3919 2.5808 2.5808 3.5166 3.5166 6.0106 6.0106 7.1100 7.1100 9.5916 9.5916 9.6797 9.6797 10.2894 10.2894 10.3512 10.3512 11.6694 11.6694 11.9471 11.9471 12.4086 12.4086 12.4943 12.4943 13.2000 13.2000 14.0001 14.0001 k = 0.0000 0.0000 0.8777 ( 4114 PWs) bands (ev): -50.3120 -50.3120 -50.3115 -50.3115 -24.6537 -24.6537 -24.6503 -24.6503 -16.9921 -16.9921 -16.9832 -16.9832 -16.9331 -16.9331 -16.9252 -16.9252 1.0964 1.0964 2.4440 2.4440 2.5693 2.5693 3.6129 3.6129 5.9265 5.9265 7.2344 7.2344 9.5887 9.5887 9.6905 9.6905 10.2748 10.2748 10.3413 10.3413 11.6032 11.6032 11.9126 11.9126 12.4087 12.4087 12.5630 12.5630 13.1736 13.1736 13.9953 13.9953 k = 0.0000 0.0000 0.8533 ( 4110 PWs) bands (ev): -50.3121 -50.3121 -50.3115 -50.3115 -24.6537 -24.6537 -24.6499 -24.6499 -16.9918 -16.9918 -16.9813 -16.9813 -16.9338 -16.9338 -16.9247 -16.9247 0.9899 0.9899 2.3796 2.3796 2.6765 2.6765 3.7075 3.7075 5.8506 5.8506 7.3599 7.3599 9.5872 9.5872 9.7004 9.7004 10.2597 10.2597 10.3271 10.3271 11.5423 11.5423 11.8854 11.8854 12.3779 12.3779 12.6281 12.6281 13.1796 13.1796 13.9938 13.9938 k = 0.0000 0.0000 0.8289 ( 4110 PWs) bands (ev): -50.3122 -50.3122 -50.3115 -50.3115 -24.6538 -24.6538 -24.6494 -24.6494 -16.9913 -16.9913 -16.9794 -16.9794 -16.9344 -16.9344 -16.9242 -16.9242 0.8859 0.8859 2.3003 2.3003 2.8005 2.8005 3.7995 3.7995 5.7841 5.7841 7.4861 7.4861 9.5871 9.5871 9.7089 9.7089 10.2440 10.2440 10.3085 10.3085 11.4875 11.4875 11.8657 11.8657 12.3221 12.3221 12.6863 12.6863 13.2143 13.2143 13.9731 13.9731 k = 0.0000 0.0000 0.8045 ( 4104 PWs) bands (ev): -50.3123 -50.3123 -50.3115 -50.3115 -24.6537 -24.6537 -24.6489 -24.6489 -16.9907 -16.9907 -16.9773 -16.9773 -16.9350 -16.9350 -16.9236 -16.9236 0.7844 0.7844 2.2204 2.2204 2.9258 2.9258 3.8880 3.8880 5.7287 5.7287 7.6126 7.6126 9.5882 9.5882 9.7155 9.7155 10.2279 10.2279 10.2855 10.2855 11.4394 11.4394 11.8537 11.8537 12.2492 12.2492 12.7361 12.7361 13.2700 13.2700 13.8936 13.8936 k = 0.0000 0.0000 0.7802 ( 4098 PWs) bands (ev): -50.3124 -50.3124 -50.3115 -50.3115 -24.6536 -24.6536 -24.6483 -24.6483 -16.9899 -16.9899 -16.9750 -16.9750 -16.9356 -16.9356 -16.9231 -16.9231 0.6854 0.6854 2.1419 2.1419 3.0497 3.0497 3.9725 3.9725 5.6864 5.6864 7.7390 7.7390 9.5906 9.5906 9.7196 9.7196 10.2114 10.2114 10.2585 10.2585 11.3987 11.3987 11.8490 11.8490 12.1661 12.1661 12.7770 12.7770 13.3397 13.3397 13.7901 13.7901 k = 0.0000 0.0000 0.7558 ( 4098 PWs) bands (ev): -50.3124 -50.3124 -50.3115 -50.3115 -24.6536 -24.6536 -24.6478 -24.6478 -16.9892 -16.9892 -16.9727 -16.9727 -16.9361 -16.9361 -16.9227 -16.9227 0.5890 0.5890 2.0652 2.0652 3.1699 3.1699 4.0525 4.0525 5.6591 5.6591 7.8649 7.8649 9.5942 9.5942 9.7208 9.7208 10.1944 10.1944 10.2279 10.2279 11.3658 11.3658 11.8507 11.8507 12.0784 12.0784 12.8094 12.8094 13.4171 13.4171 13.6857 13.6857 k = 0.0000 0.0000 0.7314 ( 4086 PWs) bands (ev): -50.3125 -50.3125 -50.3115 -50.3115 -24.6535 -24.6535 -24.6471 -24.6471 -16.9883 -16.9883 -16.9702 -16.9702 -16.9365 -16.9365 -16.9222 -16.9222 0.4952 0.4952 1.9906 1.9906 3.2840 3.2840 4.1284 4.1284 5.6486 5.6486 7.9898 7.9898 9.5990 9.5990 9.7187 9.7187 10.1763 10.1763 10.1946 10.1946 11.3412 11.3412 11.8549 11.8549 11.9925 11.9925 12.8342 12.8342 13.4897 13.4897 13.5945 13.5945 k = 0.0000 0.0000 0.7070 ( 4090 PWs) bands (ev): -50.3126 -50.3126 -50.3115 -50.3115 -24.6534 -24.6534 -24.6466 -24.6466 -16.9874 -16.9874 -16.9678 -16.9678 -16.9368 -16.9368 -16.9217 -16.9217 0.4041 0.4041 1.9181 1.9181 3.3887 3.3887 4.2021 4.2021 5.6563 5.6563 8.1130 8.1130 9.6048 9.6048 9.7130 9.7130 10.1520 10.1520 10.1646 10.1646 11.3252 11.3252 11.8398 11.8398 11.9319 11.9319 12.8526 12.8526 13.4643 13.4643 13.6094 13.6094 k = 0.0000 0.0000 0.6826 ( 4086 PWs) bands (ev): -50.3127 -50.3127 -50.3115 -50.3115 -24.6533 -24.6533 -24.6460 -24.6460 -16.9865 -16.9865 -16.9653 -16.9653 -16.9370 -16.9370 -16.9212 -16.9212 0.3157 0.3157 1.8478 1.8478 3.4802 3.4802 4.2766 4.2766 5.6829 5.6829 8.2341 8.2341 9.6116 9.6116 9.7035 9.7035 10.1156 10.1156 10.1443 10.1443 11.3175 11.3175 11.7719 11.7719 11.9312 11.9312 12.8659 12.8659 13.3792 13.3792 13.6915 13.6915 k = 0.0000 0.0000 0.6583 ( 4090 PWs) bands (ev): -50.3128 -50.3128 -50.3115 -50.3115 -24.6531 -24.6531 -24.6455 -24.6455 -16.9856 -16.9856 -16.9627 -16.9627 -16.9371 -16.9371 -16.9208 -16.9208 0.2301 0.2301 1.7799 1.7799 3.5542 3.5542 4.3565 4.3565 5.7279 5.7279 8.3523 8.3523 9.6192 9.6192 9.6902 9.6902 10.0757 10.0757 10.1254 10.1254 11.3178 11.3178 11.6861 11.6861 11.9564 11.9564 12.8753 12.8753 13.2967 13.2967 13.7774 13.7774 k = 0.0000 0.0000 0.6339 ( 4082 PWs) bands (ev): -50.3129 -50.3129 -50.3116 -50.3116 -24.6529 -24.6529 -24.6448 -24.6448 -16.9847 -16.9847 -16.9601 -16.9601 -16.9370 -16.9370 -16.9203 -16.9203 0.1473 0.1473 1.7142 1.7142 3.6077 3.6077 4.4457 4.4457 5.7902 5.7902 8.4668 8.4668 9.6276 9.6276 9.6732 9.6732 10.0350 10.0350 10.1064 10.1064 11.3239 11.3239 11.6007 11.6007 11.9910 11.9910 12.8820 12.8820 13.2222 13.2222 13.8611 13.8611 k = 0.0000 0.0000 0.6095 ( 4086 PWs) bands (ev): -50.3130 -50.3130 -50.3116 -50.3116 -24.6528 -24.6528 -24.6442 -24.6442 -16.9838 -16.9838 -16.9576 -16.9576 -16.9369 -16.9369 -16.9198 -16.9198 0.0673 0.0673 1.6509 1.6509 3.6400 3.6400 4.5468 4.5468 5.8679 5.8679 8.5768 8.5768 9.6366 9.6366 9.6528 9.6528 9.9941 9.9941 10.0869 10.0869 11.3301 11.3301 11.5244 11.5244 12.0319 12.0319 12.8868 12.8868 13.1573 13.1573 13.8952 13.8952 k = 0.0000 0.0000 0.5851 ( 4090 PWs) bands (ev): -50.3131 -50.3131 -50.3116 -50.3116 -24.6526 -24.6526 -24.6436 -24.6436 -16.9831 -16.9831 -16.9551 -16.9551 -16.9365 -16.9365 -16.9193 -16.9193 -0.0099 -0.0099 1.5900 1.5900 3.6529 3.6529 4.6599 4.6599 5.9590 5.9590 8.6813 8.6813 9.6293 9.6293 9.6462 9.6462 9.9540 9.9540 10.0668 10.0668 11.3179 11.3179 11.4761 11.4761 12.0778 12.0778 12.8901 12.8901 13.1036 13.1036 13.8048 13.8048 k = 0.0000 0.0000 0.5607 ( 4082 PWs) bands (ev): -50.3132 -50.3132 -50.3116 -50.3116 -24.6524 -24.6524 -24.6430 -24.6430 -16.9823 -16.9823 -16.9526 -16.9526 -16.9359 -16.9359 -16.9187 -16.9187 -0.0841 -0.0841 1.5315 1.5315 3.6497 3.6497 4.7835 4.7835 6.0613 6.0613 8.7794 8.7794 9.6035 9.6035 9.6561 9.6561 9.9154 9.9154 10.0459 10.0459 11.2669 11.2669 11.4762 11.4762 12.1279 12.1279 12.8922 12.8922 13.0625 13.0625 13.7105 13.7105 k = 0.0000 0.0000 0.5364 ( 4078 PWs) bands (ev): -50.3133 -50.3133 -50.3117 -50.3117 -24.6521 -24.6521 -24.6424 -24.6424 -16.9816 -16.9816 -16.9503 -16.9503 -16.9352 -16.9352 -16.9180 -16.9180 -0.1555 -0.1555 1.4754 1.4754 3.6342 3.6342 4.9155 4.9155 6.1732 6.1732 8.8697 8.8697 9.5755 9.5755 9.6662 9.6662 9.8792 9.8792 10.0242 10.0242 11.1938 11.1938 11.5078 11.5078 12.1818 12.1818 12.8934 12.8934 13.0351 13.0351 13.6151 13.6151 k = 0.0000 0.0000 0.5120 ( 4078 PWs) bands (ev): -50.3134 -50.3134 -50.3117 -50.3117 -24.6519 -24.6519 -24.6418 -24.6418 -16.9811 -16.9811 -16.9481 -16.9481 -16.9344 -16.9344 -16.9172 -16.9172 -0.2239 -0.2239 1.4217 1.4217 3.6096 3.6096 5.0541 5.0541 6.2928 6.2928 8.9512 8.9512 9.5461 9.5461 9.6764 9.6764 9.8462 9.8462 10.0016 10.0016 11.1144 11.1144 11.5545 11.5545 12.2388 12.2388 12.8951 12.8951 13.0215 13.0215 13.5188 13.5188 k = 0.0000 0.0000 0.4876 ( 4078 PWs) bands (ev): -50.3135 -50.3135 -50.3117 -50.3117 -24.6517 -24.6517 -24.6412 -24.6412 -16.9807 -16.9807 -16.9460 -16.9460 -16.9334 -16.9334 -16.9163 -16.9163 -0.2894 -0.2894 1.3705 1.3705 3.5788 3.5788 5.1975 5.1975 6.4189 6.4189 9.0225 9.0225 9.5156 9.5156 9.6864 9.6864 9.8175 9.8175 9.9780 9.9780 11.0339 11.0339 11.6108 11.6108 12.2985 12.2985 12.8998 12.8998 13.0200 13.0200 13.4217 13.4217 k = 0.0000 0.0000 0.4632 ( 4080 PWs) bands (ev): -50.3136 -50.3136 -50.3118 -50.3118 -24.6514 -24.6514 -24.6407 -24.6407 -16.9804 -16.9804 -16.9440 -16.9440 -16.9323 -16.9323 -16.9154 -16.9154 -0.3518 -0.3518 1.3217 1.3217 3.5437 3.5437 5.3444 5.3444 6.5504 6.5504 9.0825 9.0825 9.4845 9.4845 9.6958 9.6958 9.7943 9.7943 9.9532 9.9532 10.9540 10.9540 11.6745 11.6745 12.3603 12.3603 12.9103 12.9103 13.0285 13.0285 13.3241 13.3241 k = 0.0000 0.0000 0.4388 ( 4074 PWs) bands (ev): -50.3137 -50.3137 -50.3118 -50.3118 -24.6512 -24.6512 -24.6400 -24.6400 -16.9801 -16.9801 -16.9422 -16.9422 -16.9312 -16.9312 -16.9142 -16.9142 -0.4112 -0.4112 1.2754 1.2754 3.5060 3.5060 5.4939 5.4939 6.6864 6.6864 9.1303 9.1303 9.4532 9.4532 9.7038 9.7038 9.7778 9.7778 9.9272 9.9272 10.8752 10.8752 11.7445 11.7445 12.4241 12.4241 12.9281 12.9281 13.0454 13.0454 13.2268 13.2268 k = 0.0000 0.0000 0.4145 ( 4066 PWs) bands (ev): -50.3138 -50.3138 -50.3118 -50.3118 -24.6509 -24.6509 -24.6394 -24.6394 -16.9800 -16.9800 -16.9404 -16.9404 -16.9300 -16.9300 -16.9129 -16.9129 -0.4675 -0.4675 1.2315 1.2315 3.4670 3.4670 5.6450 5.6450 6.8260 6.8260 9.1654 9.1654 9.4221 9.4221 9.7098 9.7098 9.7690 9.7690 9.9000 9.9000 10.7979 10.7979 11.8199 11.8199 12.4893 12.4893 12.9506 12.9506 13.0698 13.0698 13.1332 13.1332 k = 0.0000 0.0000 0.3901 ( 4068 PWs) bands (ev): -50.3139 -50.3139 -50.3119 -50.3119 -24.6507 -24.6507 -24.6388 -24.6388 -16.9800 -16.9800 -16.9389 -16.9389 -16.9289 -16.9289 -16.9114 -16.9114 -0.5208 -0.5208 1.1902 1.1902 3.4275 3.4275 5.7971 5.7971 6.9686 6.9686 9.1883 9.1883 9.3916 9.3916 9.7134 9.7134 9.7675 9.7675 9.8716 9.8716 10.7221 10.7221 11.9000 11.9000 12.5558 12.5558 12.9571 12.9571 13.0607 13.0607 13.1057 13.1057 k = 0.0000 0.0000 0.3657 ( 4062 PWs) bands (ev): -50.3140 -50.3140 -50.3119 -50.3119 -24.6505 -24.6505 -24.6382 -24.6382 -16.9800 -16.9800 -16.9374 -16.9374 -16.9278 -16.9278 -16.9098 -16.9098 -0.5710 -0.5710 1.1513 1.1513 3.3884 3.3884 5.9494 5.9494 7.1135 7.1135 9.2002 9.2002 9.3618 9.3618 9.7154 9.7154 9.7712 9.7712 9.8423 9.8423 10.6478 10.6478 11.9840 11.9840 12.6224 12.6224 12.8964 12.8964 13.0639 13.0639 13.1501 13.1501 k = 0.0000 0.0000 0.3413 ( 4068 PWs) bands (ev): -50.3140 -50.3140 -50.3120 -50.3120 -24.6504 -24.6504 -24.6378 -24.6378 -16.9801 -16.9801 -16.9361 -16.9361 -16.9268 -16.9268 -16.9081 -16.9081 -0.6180 -0.6180 1.1149 1.1149 3.3501 3.3501 6.1013 6.1013 7.2603 7.2603 9.2030 9.2030 9.3330 9.3330 9.7156 9.7156 9.7775 9.7775 9.8131 9.8131 10.5751 10.5751 12.0708 12.0708 12.6825 12.6825 12.8138 12.8138 13.0995 13.0995 13.2080 13.2080 k = 0.0000 0.0000 0.3169 ( 4064 PWs) bands (ev): -50.3141 -50.3141 -50.3120 -50.3120 -24.6501 -24.6501 -24.6373 -24.6373 -16.9803 -16.9803 -16.9349 -16.9349 -16.9259 -16.9259 -16.9063 -16.9063 -0.6619 -0.6619 1.0810 1.0810 3.3132 3.3132 6.2522 6.2522 7.4082 7.4082 9.1990 9.1990 9.3054 9.3054 9.7110 9.7110 9.7844 9.7844 9.7873 9.7873 10.5037 10.5037 12.1583 12.1583 12.6748 12.6748 12.7983 12.7983 13.1414 13.1414 13.2784 13.2784 k = 0.0000 0.0000 0.2926 ( 4060 PWs) bands (ev): -50.3142 -50.3142 -50.3120 -50.3120 -24.6499 -24.6499 -24.6368 -24.6368 -16.9804 -16.9804 -16.9338 -16.9338 -16.9250 -16.9250 -16.9046 -16.9046 -0.7027 -0.7027 1.0496 1.0496 3.2780 3.2780 6.4013 6.4013 7.5568 7.5568 9.1902 9.1902 9.2792 9.2792 9.6949 9.6949 9.7709 9.7709 9.7909 9.7909 10.4336 10.4336 12.2403 12.2403 12.5983 12.5983 12.8611 12.8611 13.1861 13.1861 13.3594 13.3594 k = 0.0000 0.0000 0.2682 ( 4058 PWs) bands (ev): -50.3143 -50.3143 -50.3120 -50.3120 -24.6496 -24.6496 -24.6365 -24.6365 -16.9806 -16.9806 -16.9329 -16.9329 -16.9241 -16.9241 -16.9029 -16.9029 -0.7402 -0.7402 1.0206 1.0206 3.2448 3.2448 6.5479 6.5479 7.7054 7.7054 9.1783 9.1783 9.2546 9.2546 9.6652 9.6652 9.7658 9.7658 9.7963 9.7963 10.3646 10.3646 12.2953 12.2953 12.5422 12.5422 12.9358 12.9358 13.2334 13.2334 13.4484 13.4484 k = 0.0000 0.0000 0.2438 ( 4065 PWs) bands (ev): -50.3143 -50.3143 -50.3121 -50.3121 -24.6495 -24.6495 -24.6361 -24.6361 -16.9808 -16.9808 -16.9322 -16.9322 -16.9232 -16.9232 -16.9012 -16.9012 -0.7746 -0.7746 0.9942 0.9942 3.2139 3.2139 6.6911 6.6911 7.8534 7.8534 9.1648 9.1648 9.2316 9.2316 9.6267 9.6267 9.7667 9.7667 9.8004 9.8004 10.2966 10.2966 12.2779 12.2779 12.5607 12.5607 13.0139 13.0139 13.2836 13.2836 13.5428 13.5428 k = 0.0000 0.0000 0.2194 ( 4065 PWs) bands (ev): -50.3144 -50.3144 -50.3121 -50.3121 -24.6493 -24.6493 -24.6358 -24.6358 -16.9810 -16.9810 -16.9316 -16.9316 -16.9223 -16.9223 -16.8996 -16.8996 -0.8057 -0.8057 0.9703 0.9703 3.1854 3.1854 6.8299 6.8299 8.0002 8.0002 9.1507 9.1507 9.2105 9.2105 9.5832 9.5832 9.7697 9.7697 9.8032 9.8032 10.2294 10.2294 12.2054 12.2054 12.6389 12.6389 13.0936 13.0936 13.3368 13.3368 13.6404 13.6404 k = 0.0000 0.0000 0.1950 ( 4061 PWs) bands (ev): -50.3144 -50.3144 -50.3121 -50.3121 -24.6491 -24.6491 -24.6354 -24.6354 -16.9812 -16.9812 -16.9311 -16.9311 -16.9214 -16.9214 -16.8981 -16.8981 -0.8336 -0.8336 0.9490 0.9490 3.1596 3.1596 6.9631 6.9631 8.1447 8.1447 9.1367 9.1367 9.1912 9.1912 9.5363 9.5363 9.7734 9.7734 9.8046 9.8046 10.1627 10.1627 12.1181 12.1181 12.7377 12.7377 13.1737 13.1737 13.3929 13.3929 13.7384 13.7384 k = 0.0000 0.0000 0.1707 ( 4069 PWs) bands (ev): -50.3145 -50.3145 -50.3121 -50.3121 -24.6490 -24.6490 -24.6352 -24.6352 -16.9814 -16.9814 -16.9307 -16.9307 -16.9206 -16.9206 -16.8968 -16.8968 -0.8582 -0.8582 0.9301 0.9301 3.1365 3.1365 7.0893 7.0893 8.2861 8.2861 9.1234 9.1234 9.1739 9.1739 9.4871 9.4871 9.7772 9.7772 9.8050 9.8050 10.0965 10.0965 12.0302 12.0302 12.8442 12.8442 13.2532 13.2532 13.4516 13.4516 13.8340 13.8340 k = 0.0000 0.0000 0.1463 ( 4081 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6489 -24.6489 -24.6351 -24.6351 -16.9816 -16.9816 -16.9304 -16.9304 -16.9200 -16.9200 -16.8957 -16.8957 -0.8796 -0.8796 0.9137 0.9137 3.1163 3.1163 7.2068 7.2068 8.4230 8.4230 9.1112 9.1112 9.1585 9.1585 9.4365 9.4365 9.7808 9.7808 9.8043 9.8043 10.0309 10.0309 11.9470 11.9470 12.9541 12.9541 13.3308 13.3308 13.5126 13.5126 13.9233 13.9233 k = 0.0000 0.0000 0.1219 ( 4081 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6488 -24.6488 -24.6348 -24.6348 -16.9818 -16.9818 -16.9302 -16.9302 -16.9193 -16.9193 -16.8946 -16.8946 -0.8977 -0.8977 0.8999 0.8999 3.0991 3.0991 7.3134 7.3134 8.5540 8.5540 9.1005 9.1005 9.1452 9.1452 9.3857 9.3857 9.7841 9.7841 9.8027 9.8027 9.9665 9.9665 11.8715 11.8715 13.0652 13.0652 13.4048 13.4048 13.5751 13.5751 13.9055 13.9055 k = 0.0000 0.0000 0.0975 ( 4075 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6487 -24.6487 -24.6346 -24.6346 -16.9819 -16.9819 -16.9300 -16.9300 -16.9187 -16.9187 -16.8937 -16.8937 -0.9125 -0.9125 0.8886 0.8886 3.0849 3.0849 7.4067 7.4067 8.6769 8.6769 9.0915 9.0915 9.1337 9.1337 9.3361 9.3361 9.7871 9.7871 9.7999 9.7999 9.9051 9.9051 11.8061 11.8061 13.1749 13.1749 13.4733 13.4733 13.6379 13.6379 13.8805 13.8805 k = 0.0000 0.0000 0.0731 ( 4079 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6487 -24.6487 -24.6345 -24.6345 -16.9821 -16.9821 -16.9298 -16.9298 -16.9183 -16.9183 -16.8930 -16.8930 -0.9241 -0.9241 0.8797 0.8797 3.0738 3.0738 7.4840 7.4840 8.7890 8.7890 9.0843 9.0843 9.1237 9.1237 9.2893 9.2893 9.7896 9.7896 9.7939 9.7939 9.8513 9.8513 11.7530 11.7530 13.2796 13.2796 13.5334 13.5334 13.6994 13.6994 13.8633 13.8633 k = 0.0000 0.0000 0.0488 ( 4075 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6486 -24.6486 -24.6344 -24.6344 -16.9822 -16.9822 -16.9297 -16.9297 -16.9179 -16.9179 -16.8925 -16.8925 -0.9323 -0.9323 0.8734 0.8734 3.0659 3.0659 7.5421 7.5421 8.8858 8.8858 9.0790 9.0790 9.1144 9.1144 9.2471 9.2471 9.7758 9.7758 9.7920 9.7920 9.8182 9.8182 11.7138 11.7138 13.3722 13.3722 13.5823 13.5823 13.7567 13.7567 13.8538 13.8538 k = 0.0000 0.0000 0.0244 ( 4075 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6485 -24.6485 -24.6343 -24.6343 -16.9822 -16.9822 -16.9297 -16.9297 -16.9177 -16.9177 -16.8923 -16.8923 -0.9373 -0.9373 0.8697 0.8697 3.0611 3.0611 7.5783 7.5783 8.9598 8.9598 9.0759 9.0759 9.1042 9.1042 9.2143 9.2143 9.7502 9.7502 9.7936 9.7936 9.8085 9.8085 11.6897 11.6897 13.4398 13.4398 13.6170 13.6170 13.8044 13.8044 13.8481 13.8481 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6485 -24.6485 -24.6342 -24.6342 -16.9822 -16.9822 -16.9296 -16.9296 -16.9177 -16.9177 -16.8920 -16.8920 -0.9389 -0.9389 0.8684 0.8684 3.0595 3.0595 7.5906 7.5906 8.9916 8.9916 9.0748 9.0748 9.0970 9.0970 9.2008 9.2008 9.7394 9.7394 9.7942 9.7942 9.8065 9.8065 11.6816 11.6816 13.4652 13.4652 13.6309 13.6309 13.8352 13.8352 13.8353 13.8353 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6485 -24.6485 -24.6342 -24.6342 -16.9822 -16.9822 -16.9296 -16.9296 -16.9177 -16.9177 -16.8920 -16.8920 -0.9389 -0.9389 0.8684 0.8684 3.0595 3.0595 7.5906 7.5906 8.9916 8.9916 9.0748 9.0748 9.0970 9.0970 9.2008 9.2008 9.7394 9.7394 9.7942 9.7942 9.8065 9.8065 11.6816 11.6816 13.4652 13.4652 13.6309 13.6309 13.8352 13.8352 13.8353 13.8353 k =-0.0238 0.0061-0.0000 ( 4075 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6485 -24.6485 -24.6343 -24.6343 -16.9822 -16.9822 -16.9297 -16.9297 -16.9177 -16.9177 -16.8922 -16.8922 -0.9374 -0.9374 0.8631 0.8631 3.0660 3.0660 7.5910 7.5910 8.8944 8.8944 9.0958 9.0958 9.1654 9.1654 9.2052 9.2052 9.7390 9.7390 9.7949 9.7949 9.8080 9.8080 11.6775 11.6775 13.4650 13.4650 13.6315 13.6315 13.8328 13.8328 13.8403 13.8403 k =-0.0476 0.0121-0.0000 ( 4071 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6485 -24.6485 -24.6343 -24.6343 -16.9821 -16.9821 -16.9297 -16.9297 -16.9176 -16.9176 -16.8922 -16.8922 -0.9327 -0.9327 0.8472 0.8472 3.0854 3.0854 7.5919 7.5919 8.7627 8.7627 9.0947 9.0947 9.1977 9.1977 9.2949 9.2949 9.7377 9.7377 9.7976 9.7976 9.8126 9.8126 11.6654 11.6654 13.4645 13.4645 13.6332 13.6332 13.8317 13.8317 13.8492 13.8492 k =-0.0714 0.0182 0.0000 ( 4071 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6485 -24.6485 -24.6343 -24.6343 -16.9819 -16.9819 -16.9298 -16.9298 -16.9176 -16.9176 -16.8923 -16.8923 -0.9249 -0.9249 0.8215 0.8215 3.1170 3.1170 7.5935 7.5935 8.6276 8.6276 9.0928 9.0928 9.2003 9.2003 9.4084 9.4084 9.7357 9.7357 9.8048 9.8048 9.8206 9.8206 11.6463 11.6463 13.4637 13.4637 13.6353 13.6353 13.8309 13.8309 13.8639 13.8639 k =-0.0952 0.0242-0.0000 ( 4083 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6486 -24.6486 -24.6344 -24.6344 -16.9817 -16.9817 -16.9300 -16.9300 -16.9176 -16.9176 -16.8925 -16.8925 -0.9141 -0.9141 0.7869 0.7869 3.1597 3.1597 7.5956 7.5956 8.4914 8.4914 9.0901 9.0901 9.2028 9.2028 9.5073 9.5073 9.7327 9.7327 9.8178 9.8178 9.8369 9.8369 11.6215 11.6215 13.4627 13.4627 13.6368 13.6368 13.8286 13.8286 13.8856 13.8856 k =-0.1190 0.0303-0.0000 ( 4083 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6485 -24.6485 -24.6344 -24.6344 -16.9814 -16.9814 -16.9302 -16.9302 -16.9176 -16.9176 -16.8927 -16.8927 -0.9001 -0.9001 0.7444 0.7444 3.2123 3.2123 7.5983 7.5983 8.3550 8.3550 9.0867 9.0867 9.2060 9.2060 9.5801 9.5801 9.7289 9.7289 9.8312 9.8312 9.8768 9.8768 11.5929 11.5929 13.4615 13.4615 13.6368 13.6368 13.8227 13.8227 13.9118 13.9118 k =-0.1429 0.0363 0.0000 ( 4081 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6484 -24.6484 -24.6345 -24.6345 -16.9810 -16.9810 -16.9304 -16.9304 -16.9175 -16.9175 -16.8930 -16.8930 -0.8832 -0.8832 0.6953 0.6953 3.2734 3.2734 7.6014 7.6014 8.2191 8.2191 9.0826 9.0826 9.2099 9.2099 9.6216 9.6216 9.7240 9.7240 9.8438 9.8438 9.9457 9.9457 11.5627 11.5627 13.4603 13.4603 13.6344 13.6344 13.8110 13.8110 13.9296 13.9296 k =-0.1667 0.0424-0.0000 ( 4079 PWs) bands (ev): -50.3147 -50.3147 -50.3122 -50.3122 -24.6484 -24.6484 -24.6346 -24.6346 -16.9806 -16.9806 -16.9307 -16.9307 -16.9173 -16.9173 -16.8933 -16.8933 -0.8632 -0.8632 0.6407 0.6407 3.3417 3.3417 7.6049 7.6049 8.0843 8.0843 9.0780 9.0780 9.2146 9.2146 9.6398 9.6398 9.7181 9.7181 9.8568 9.8568 10.0328 10.0328 11.5334 11.5334 13.4589 13.4589 13.6291 13.6291 13.7923 13.7923 13.9319 13.9319 k =-0.1905 0.0484-0.0000 ( 4087 PWs) bands (ev): -50.3147 -50.3147 -50.3123 -50.3123 -24.6484 -24.6484 -24.6346 -24.6346 -16.9802 -16.9802 -16.9310 -16.9310 -16.9173 -16.9173 -16.8936 -16.8936 -0.8402 -0.8402 0.5818 0.5818 3.4155 3.4155 7.6086 7.6086 7.9513 7.9513 9.0729 9.0729 9.2200 9.2200 9.6456 9.6456 9.7113 9.7113 9.8706 9.8706 10.1253 10.1253 11.5078 11.5078 13.4573 13.4573 13.6205 13.6205 13.7681 13.7681 13.9313 13.9313 k =-0.2143 0.0545-0.0000 ( 4087 PWs) bands (ev): -50.3147 -50.3147 -50.3123 -50.3123 -24.6483 -24.6483 -24.6347 -24.6347 -16.9796 -16.9796 -16.9313 -16.9313 -16.9172 -16.9172 -16.8939 -16.8939 -0.8142 -0.8142 0.5196 0.5196 3.4936 3.4936 7.6122 7.6122 7.8210 7.8210 9.0675 9.0675 9.2261 9.2261 9.6455 9.6455 9.7039 9.7039 9.8848 9.8848 10.2148 10.2148 11.4890 11.4890 13.4557 13.4557 13.6078 13.6078 13.7414 13.7414 13.9327 13.9327 k =-0.2381 0.0605-0.0000 ( 4087 PWs) bands (ev): -50.3147 -50.3147 -50.3123 -50.3123 -24.6483 -24.6483 -24.6348 -24.6348 -16.9791 -16.9791 -16.9316 -16.9316 -16.9171 -16.9171 -16.8943 -16.8943 -0.7854 -0.7854 0.4550 0.4550 3.5746 3.5746 7.6142 7.6142 7.6956 7.6956 9.0620 9.0620 9.2328 9.2328 9.6424 9.6424 9.6960 9.6960 9.8994 9.8994 10.2961 10.2961 11.4802 11.4802 13.4541 13.4541 13.5906 13.5906 13.7156 13.7156 13.9360 13.9360 k =-0.2619 0.0666-0.0000 ( 4089 PWs) bands (ev): -50.3147 -50.3147 -50.3123 -50.3123 -24.6482 -24.6482 -24.6348 -24.6348 -16.9785 -16.9785 -16.9320 -16.9320 -16.9170 -16.9170 -16.8946 -16.8946 -0.7537 -0.7537 0.3888 0.3888 3.6570 3.6570 7.5632 7.5632 7.6272 7.6272 9.0565 9.0565 9.2400 9.2400 9.6380 9.6380 9.6877 9.6877 9.9139 9.9139 10.3654 10.3654 11.4843 11.4843 13.4524 13.4524 13.5689 13.5689 13.6926 13.6926 13.9405 13.9405 k =-0.2857 0.0727 0.0000 ( 4093 PWs) bands (ev): -50.3147 -50.3147 -50.3123 -50.3123 -24.6482 -24.6482 -24.6349 -24.6349 -16.9780 -16.9780 -16.9323 -16.9323 -16.9169 -16.9169 -16.8949 -16.8949 -0.7193 -0.7193 0.3216 0.3216 3.7396 3.7396 7.4475 7.4475 7.6283 7.6283 9.0510 9.0510 9.2474 9.2474 9.6332 9.6332 9.6793 9.6793 9.9282 9.9282 10.4201 10.4201 11.5032 11.5032 13.4508 13.4508 13.5436 13.5436 13.6731 13.6731 13.9454 13.9454 k =-0.3095 0.0787-0.0000 ( 4101 PWs) bands (ev): -50.3147 -50.3147 -50.3123 -50.3123 -24.6481 -24.6481 -24.6351 -24.6351 -16.9774 -16.9774 -16.9327 -16.9327 -16.9168 -16.9168 -16.8953 -16.8953 -0.6822 -0.6822 0.2540 0.2540 3.8208 3.8208 7.3352 7.3352 7.6319 7.6319 9.0459 9.0459 9.2550 9.2550 9.6285 9.6285 9.6709 9.6709 9.9419 9.9419 10.4597 10.4597 11.5375 11.5375 13.4493 13.4493 13.5166 13.5166 13.6567 13.6567 13.9502 13.9502 k =-0.3333 0.0848-0.0000 ( 4097 PWs) bands (ev): -50.3147 -50.3147 -50.3123 -50.3123 -24.6481 -24.6481 -24.6351 -24.6351 -16.9769 -16.9769 -16.9330 -16.9330 -16.9168 -16.9168 -16.8956 -16.8956 -0.6425 -0.6425 0.1866 0.1866 3.8990 3.8990 7.2298 7.2298 7.6357 7.6357 9.0411 9.0411 9.2625 9.2625 9.6242 9.6242 9.6628 9.6628 9.9548 9.9548 10.4850 10.4850 11.5854 11.5854 13.4478 13.4478 13.4898 13.4898 13.6428 13.6428 13.9541 13.9541 k =-0.3571 0.0908 0.0000 ( 4095 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6480 -24.6480 -24.6351 -24.6351 -16.9764 -16.9764 -16.9333 -16.9333 -16.9167 -16.9167 -16.8959 -16.8959 -0.6006 -0.6006 0.1200 0.1200 3.9725 3.9725 7.1330 7.1330 7.6392 7.6392 9.0368 9.0368 9.2696 9.2696 9.6206 9.6206 9.6550 9.6550 9.9665 9.9665 10.4987 10.4987 11.6434 11.6434 13.4458 13.4458 13.4651 13.4651 13.6308 13.6308 13.9543 13.9543 k =-0.3810 0.0969-0.0000 ( 4092 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6480 -24.6480 -24.6351 -24.6351 -16.9760 -16.9760 -16.9336 -16.9336 -16.9166 -16.9166 -16.8961 -16.8961 -0.5566 -0.5566 0.0547 0.0547 4.0396 4.0396 7.0464 7.0464 7.6424 7.6424 9.0330 9.0330 9.2763 9.2763 9.6176 9.6176 9.6479 9.6479 9.9769 9.9769 10.5040 10.5040 11.7068 11.7068 13.4375 13.4375 13.4497 13.4497 13.6207 13.6207 13.9270 13.9270 k =-0.4048 0.1029 0.0000 ( 4096 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6479 -24.6479 -24.6352 -24.6352 -16.9756 -16.9756 -16.9339 -16.9339 -16.9165 -16.9165 -16.8964 -16.8964 -0.5109 -0.5109 -0.0086 -0.0086 4.0982 4.0982 6.9720 6.9720 7.6451 7.6451 9.0298 9.0298 9.2821 9.2821 9.6153 9.6153 9.6417 9.6417 9.9858 9.9858 10.5040 10.5040 11.7701 11.7701 13.4203 13.4203 13.4469 13.4469 13.6127 13.6127 13.8543 13.8543 k =-0.4286 0.1090-0.0000 ( 4088 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6478 -24.6478 -24.6352 -24.6352 -16.9752 -16.9752 -16.9341 -16.9341 -16.9164 -16.9164 -16.8965 -16.8965 -0.4646 -0.4646 -0.0688 -0.0688 4.1466 4.1466 6.9116 6.9116 7.6473 7.6473 9.0272 9.0272 9.2870 9.2870 9.6137 9.6137 9.6365 9.6365 9.9929 9.9929 10.5013 10.5013 11.8279 11.8279 13.4054 13.4054 13.4459 13.4459 13.6071 13.6071 13.7788 13.7788 k =-0.4524 0.1150-0.0000 ( 4088 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6478 -24.6478 -24.6352 -24.6352 -16.9749 -16.9749 -16.9342 -16.9342 -16.9164 -16.9164 -16.8966 -16.8966 -0.4198 -0.4198 -0.1237 -0.1237 4.1827 4.1827 6.8668 6.8668 7.6489 7.6489 9.0254 9.0254 9.2907 9.2907 9.6126 9.6126 9.6326 9.6326 9.9980 9.9980 10.4980 10.4980 11.8744 11.8744 13.3948 13.3948 13.4452 13.4452 13.6046 13.6046 13.7160 13.7160 k =-0.4762 0.1211-0.0000 ( 4080 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6477 -24.6477 -24.6352 -24.6352 -16.9747 -16.9747 -16.9342 -16.9342 -16.9164 -16.9164 -16.8967 -16.8967 -0.3820 -0.3820 -0.1676 -0.1676 4.2050 4.2050 6.8393 6.8393 7.6499 7.6499 9.0243 9.0243 9.2929 9.2929 9.6119 9.6119 9.6302 9.6302 10.0012 10.0012 10.4955 10.4955 11.9048 11.9048 13.3885 13.3885 13.4447 13.4447 13.6060 13.6060 13.6726 13.6726 k =-0.5000 0.1271-0.0000 ( 4076 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6477 -24.6477 -24.6352 -24.6352 -16.9746 -16.9746 -16.9343 -16.9343 -16.9163 -16.9163 -16.8967 -16.8967 -0.3653 -0.3653 -0.1863 -0.1863 4.2126 4.2126 6.8300 6.8300 7.6502 7.6502 9.0239 9.0239 9.2937 9.2937 9.6117 9.6117 9.6294 9.6294 10.0022 10.0022 10.4946 10.4946 11.9154 11.9154 13.3864 13.3864 13.4445 13.4445 13.6082 13.6082 13.6559 13.6559 k =-0.5000 0.1271-0.0000 ( 4076 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6477 -24.6477 -24.6352 -24.6352 -16.9746 -16.9746 -16.9343 -16.9343 -16.9163 -16.9163 -16.8967 -16.8967 -0.3653 -0.3653 -0.1863 -0.1863 4.2126 4.2126 6.8300 6.8300 7.6502 7.6502 9.0239 9.0239 9.2937 9.2937 9.6117 9.6117 9.6294 9.6294 10.0022 10.0022 10.4946 10.4946 11.9154 11.9154 13.3864 13.3864 13.4445 13.4445 13.6082 13.6082 13.6559 13.6559 k =-0.4940 0.1507-0.0000 ( 4074 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6477 -24.6477 -24.6352 -24.6352 -16.9746 -16.9746 -16.9344 -16.9344 -16.9163 -16.9163 -16.8967 -16.8967 -0.3638 -0.3638 -0.1850 -0.1850 4.2141 4.2141 6.8295 6.8295 7.6349 7.6349 9.0328 9.0328 9.2952 9.2952 9.6119 9.6119 9.6286 9.6286 9.9846 9.9846 10.5132 10.5132 11.9215 11.9215 13.3557 13.3557 13.4234 13.4234 13.6271 13.6271 13.6621 13.6621 k =-0.4880 0.1743-0.0000 ( 4074 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6477 -24.6477 -24.6353 -24.6353 -16.9747 -16.9747 -16.9347 -16.9347 -16.9165 -16.9165 -16.8967 -16.8967 -0.3593 -0.3593 -0.1812 -0.1812 4.2186 4.2186 6.8278 6.8278 7.5905 7.5905 9.0578 9.0578 9.2996 9.2996 9.6122 9.6122 9.6262 9.6262 9.9387 9.9387 10.5627 10.5627 11.9395 11.9395 13.2880 13.2880 13.3688 13.3688 13.6356 13.6356 13.6881 13.6881 k =-0.4820 0.1979-0.0000 ( 4078 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6478 -24.6478 -24.6353 -24.6353 -16.9749 -16.9749 -16.9352 -16.9352 -16.9167 -16.9167 -16.8966 -16.8966 -0.3519 -0.3519 -0.1748 -0.1748 4.2260 4.2260 6.8250 6.8250 7.5206 7.5206 9.0944 9.0944 9.3072 9.3072 9.6116 9.6116 9.6232 9.6232 9.8774 9.8774 10.6312 10.6312 11.9692 11.9692 13.2044 13.2044 13.3002 13.3002 13.5974 13.5974 13.6870 13.6870 k =-0.4760 0.2215-0.0000 ( 4074 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6478 -24.6478 -24.6354 -24.6354 -16.9750 -16.9750 -16.9358 -16.9358 -16.9171 -16.9171 -16.8966 -16.8966 -0.3416 -0.3416 -0.1659 -0.1659 4.2364 4.2364 6.8209 6.8209 7.4299 7.4299 9.1360 9.1360 9.3180 9.3180 9.6077 9.6077 9.6218 9.6218 9.8111 9.8111 10.7104 10.7104 12.0100 12.0100 13.1111 13.1111 13.2292 13.2292 13.5253 13.5253 13.6242 13.6242 k =-0.4700 0.2450-0.0000 ( 4076 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6479 -24.6479 -24.6356 -24.6356 -16.9752 -16.9752 -16.9367 -16.9367 -16.9175 -16.9175 -16.8965 -16.8965 -0.3283 -0.3283 -0.1545 -0.1545 4.2497 4.2497 6.8155 6.8155 7.3230 7.3230 9.1752 9.1752 9.3321 9.3321 9.6000 9.6000 9.6224 9.6224 9.7485 9.7485 10.7957 10.7957 12.0611 12.0611 13.0112 13.0112 13.1603 13.1603 13.4331 13.4331 13.5462 13.5462 k =-0.4640 0.2686-0.0000 ( 4072 PWs) bands (ev): -50.3146 -50.3146 -50.3122 -50.3122 -24.6481 -24.6481 -24.6357 -24.6357 -16.9755 -16.9755 -16.9376 -16.9376 -16.9180 -16.9180 -16.8964 -16.8964 -0.3120 -0.3120 -0.1406 -0.1406 4.2659 4.2659 6.8086 6.8086 7.2033 7.2033 9.2035 9.2035 9.3483 9.3483 9.5899 9.5899 9.6233 9.6233 9.6986 9.6986 10.8845 10.8845 12.1216 12.1216 12.9072 12.9072 13.0950 13.0950 13.3331 13.3331 13.4613 13.4613 k =-0.4580 0.2922-0.0000 ( 4076 PWs) bands (ev): -50.3145 -50.3145 -50.3122 -50.3122 -24.6483 -24.6483 -24.6360 -24.6360 -16.9758 -16.9758 -16.9388 -16.9388 -16.9186 -16.9186 -16.8963 -16.8963 -0.2928 -0.2928 -0.1242 -0.1242 4.2851 4.2851 6.7999 6.7999 7.0740 7.0740 9.2125 9.2125 9.3641 9.3641 9.5783 9.5783 9.6236 9.6236 9.6716 9.6716 10.9758 10.9758 12.1904 12.1904 12.8013 12.8013 13.0336 13.0336 13.2315 13.2315 13.3709 13.3709 k =-0.4520 0.3158-0.0000 ( 4068 PWs) bands (ev): -50.3145 -50.3145 -50.3121 -50.3121 -24.6485 -24.6485 -24.6361 -24.6361 -16.9762 -16.9762 -16.9401 -16.9401 -16.9193 -16.9193 -16.8961 -16.8961 -0.2707 -0.2707 -0.1055 -0.1055 4.3071 4.3071 6.7895 6.7895 6.9372 6.9372 9.1966 9.1966 9.3791 9.3791 9.5643 9.5643 9.6229 9.6229 9.6737 9.6737 11.0686 11.0686 12.2658 12.2658 12.6954 12.6954 12.9761 12.9761 13.1312 13.1312 13.2766 13.2766 k =-0.4460 0.3393-0.0000 ( 4072 PWs) bands (ev): -50.3144 -50.3144 -50.3121 -50.3121 -24.6487 -24.6487 -24.6363 -24.6363 -16.9767 -16.9767 -16.9416 -16.9416 -16.9201 -16.9201 -16.8959 -16.8959 -0.2456 -0.2456 -0.0844 -0.0844 4.3319 4.3319 6.7766 6.7766 6.7947 6.7947 9.1575 9.1575 9.3962 9.3962 9.5475 9.5475 9.6207 9.6207 9.7009 9.7009 11.1627 11.1627 12.3459 12.3459 12.5913 12.5913 12.9229 12.9229 13.0342 13.0342 13.1801 13.1801 k =-0.4400 0.3629-0.0000 ( 4076 PWs) bands (ev): -50.3144 -50.3144 -50.3121 -50.3121 -24.6490 -24.6490 -24.6366 -24.6366 -16.9773 -16.9773 -16.9433 -16.9433 -16.9208 -16.9208 -16.8957 -16.8957 -0.2177 -0.2177 -0.0611 -0.0611 4.3595 4.3595 6.6472 6.6472 6.7621 6.7621 9.1033 9.1033 9.4166 9.4166 9.5286 9.5286 9.6156 9.6156 9.7438 9.7438 11.2575 11.2575 12.4269 12.4269 12.4905 12.4905 12.8744 12.8744 12.9431 12.9431 13.0832 13.0832 k =-0.4340 0.3865-0.0000 ( 4084 PWs) bands (ev): -50.3144 -50.3144 -50.3120 -50.3120 -24.6493 -24.6493 -24.6369 -24.6369 -16.9780 -16.9780 -16.9451 -16.9451 -16.9216 -16.9216 -16.8955 -16.8955 -0.1868 -0.1868 -0.0355 -0.0355 4.3898 4.3898 6.4965 6.4965 6.7446 6.7446 9.0419 9.0419 9.4397 9.4397 9.5085 9.5085 9.6067 9.6067 9.7947 9.7947 11.3527 11.3527 12.3946 12.3946 12.5006 12.5006 12.8301 12.8301 12.8649 12.8649 12.9881 12.9881 k =-0.4281 0.4101-0.0000 ( 4080 PWs) bands (ev): -50.3143 -50.3143 -50.3120 -50.3120 -24.6496 -24.6496 -24.6372 -24.6372 -16.9787 -16.9787 -16.9471 -16.9471 -16.9224 -16.9224 -16.8952 -16.8952 -0.1530 -0.1530 -0.0078 -0.0078 4.4229 4.4229 6.3432 6.3432 6.7243 6.7243 8.9785 8.9785 9.4622 9.4622 9.4902 9.4902 9.5932 9.5932 9.8496 9.8496 11.4479 11.4479 12.3055 12.3055 12.5461 12.5461 12.7769 12.7769 12.8263 12.8263 12.9023 12.9023 k =-0.4221 0.4337-0.0000 ( 4086 PWs) bands (ev): -50.3143 -50.3143 -50.3119 -50.3119 -24.6499 -24.6499 -24.6376 -24.6376 -16.9796 -16.9796 -16.9493 -16.9493 -16.9231 -16.9231 -16.8949 -16.8949 -0.1164 -0.1164 0.0220 0.0220 4.4585 4.4585 6.1879 6.1879 6.7010 6.7010 8.9160 8.9160 9.4565 9.4565 9.5002 9.5002 9.5749 9.5749 9.9062 9.9062 11.5423 11.5423 12.2249 12.2249 12.5370 12.5370 12.7175 12.7175 12.7921 12.7921 12.8851 12.8851 k =-0.4161 0.4572-0.0000 ( 4082 PWs) bands (ev): -50.3142 -50.3142 -50.3119 -50.3119 -24.6502 -24.6502 -24.6379 -24.6379 -16.9805 -16.9805 -16.9515 -16.9515 -16.9239 -16.9239 -16.8946 -16.8946 -0.0769 -0.0769 0.0537 0.0537 4.4967 4.4967 6.0312 6.0312 6.6745 6.6745 8.8564 8.8564 9.4327 9.4327 9.5231 9.5231 9.5560 9.5560 9.9635 9.9635 11.6346 11.6346 12.1551 12.1551 12.4855 12.4855 12.6485 12.6485 12.7347 12.7347 12.9553 12.9553 k =-0.4101 0.4808-0.0000 ( 4084 PWs) bands (ev): -50.3142 -50.3142 -50.3118 -50.3118 -24.6506 -24.6506 -24.6383 -24.6383 -16.9816 -16.9816 -16.9537 -16.9537 -16.9246 -16.9246 -16.8942 -16.8942 -0.0346 -0.0346 0.0874 0.0874 4.5373 4.5373 5.8735 5.8735 6.6448 6.6448 8.8009 8.8009 9.4060 9.4060 9.5081 9.5081 9.5713 9.5713 10.0209 10.0209 11.7220 11.7220 12.0995 12.0995 12.4188 12.4188 12.5669 12.5669 12.6921 12.6921 13.0513 13.0513 k =-0.4041 0.5044-0.0000 ( 4088 PWs) bands (ev): -50.3141 -50.3141 -50.3118 -50.3118 -24.6509 -24.6509 -24.6387 -24.6387 -16.9827 -16.9827 -16.9562 -16.9562 -16.9253 -16.9253 -16.8939 -16.8939 0.0104 0.0104 0.1228 0.1228 4.5803 4.5803 5.7153 5.7153 6.6117 6.6117 8.7502 8.7502 9.3771 9.3771 9.4693 9.4693 9.6052 9.6052 10.0784 10.0784 11.7969 11.7969 12.0652 12.0652 12.3498 12.3498 12.4814 12.4814 12.6589 12.6589 13.1573 13.1573 k =-0.3981 0.5280-0.0000 ( 4092 PWs) bands (ev): -50.3141 -50.3141 -50.3117 -50.3117 -24.6513 -24.6513 -24.6391 -24.6391 -16.9840 -16.9840 -16.9587 -16.9587 -16.9260 -16.9260 -16.8935 -16.8935 0.0583 0.0583 0.1599 0.1599 4.6255 4.6255 5.5569 5.5569 6.5752 6.5752 8.7049 8.7049 9.3453 9.3453 9.4223 9.4223 9.6426 9.6426 10.1357 10.1357 11.8433 11.8433 12.0659 12.0659 12.2851 12.2851 12.3972 12.3972 12.6311 12.6311 13.2680 13.2680 k =-0.3921 0.5516-0.0000 ( 4088 PWs) bands (ev): -50.3140 -50.3140 -50.3117 -50.3117 -24.6517 -24.6517 -24.6394 -24.6394 -16.9853 -16.9853 -16.9612 -16.9612 -16.9266 -16.9266 -16.8930 -16.8930 0.1087 0.1087 0.1987 0.1987 4.6728 4.6728 5.3987 5.3987 6.5356 6.5356 8.6652 8.6652 9.3076 9.3076 9.3713 9.3713 9.6822 9.6822 10.1930 10.1930 11.8512 11.8512 12.1019 12.1019 12.2348 12.2348 12.3175 12.3175 12.6072 12.6072 13.3808 13.3808 k =-0.3861 0.5751-0.0000 ( 4104 PWs) bands (ev): -50.3140 -50.3140 -50.3116 -50.3116 -24.6522 -24.6522 -24.6399 -24.6399 -16.9868 -16.9868 -16.9638 -16.9638 -16.9272 -16.9272 -16.8926 -16.8926 0.1617 0.1617 0.2390 0.2390 4.7219 4.7219 5.2410 5.2410 6.4931 6.4931 8.6314 8.6314 9.2572 9.2572 9.3239 9.3239 9.7236 9.7236 10.2503 10.2503 11.8354 11.8354 12.1168 12.1168 12.2256 12.2256 12.2583 12.2583 12.5867 12.5867 13.4938 13.4938 k =-0.3801 0.5987-0.0000 ( 4104 PWs) bands (ev): -50.3139 -50.3139 -50.3115 -50.3115 -24.6525 -24.6525 -24.6403 -24.6403 -16.9883 -16.9883 -16.9664 -16.9664 -16.9277 -16.9277 -16.8922 -16.8922 0.2170 0.2170 0.2811 0.2811 4.7723 4.7723 5.0845 5.0845 6.4479 6.4479 8.6034 8.6034 9.1900 9.1900 9.2849 9.2849 9.7666 9.7666 10.3076 10.3076 11.8072 11.8072 12.0866 12.0866 12.1745 12.1745 12.3147 12.3147 12.5701 12.5701 13.6048 13.6048 k =-0.3741 0.6223-0.0000 ( 4106 PWs) bands (ev): -50.3138 -50.3138 -50.3115 -50.3115 -24.6529 -24.6529 -24.6407 -24.6407 -16.9899 -16.9899 -16.9691 -16.9691 -16.9281 -16.9281 -16.8918 -16.8918 0.2739 0.2739 0.3253 0.3253 4.8205 4.8205 4.9326 4.9326 6.4004 6.4004 8.5810 8.5810 9.1106 9.1106 9.2510 9.2510 9.8109 9.8109 10.3651 10.3651 11.7683 11.7683 12.0458 12.0458 12.1327 12.1327 12.3950 12.3950 12.5612 12.5612 13.7108 13.7108 k =-0.3681 0.6459-0.0000 ( 4102 PWs) bands (ev): -50.3138 -50.3138 -50.3114 -50.3114 -24.6532 -24.6532 -24.6411 -24.6411 -16.9915 -16.9915 -16.9717 -16.9717 -16.9284 -16.9284 -16.8913 -16.8913 0.3308 0.3308 0.3730 0.3730 4.7631 4.7631 4.8889 4.8889 6.3511 6.3511 8.5638 8.5638 9.0232 9.0232 9.2193 9.2193 9.8563 9.8563 10.4227 10.4227 11.7188 11.7188 11.9977 11.9977 12.1198 12.1198 12.4572 12.4572 12.5776 12.5776 13.8062 13.8062 k =-0.3621 0.6694-0.0000 ( 4098 PWs) bands (ev): -50.3137 -50.3137 -50.3114 -50.3114 -24.6536 -24.6536 -24.6414 -24.6414 -16.9932 -16.9932 -16.9742 -16.9742 -16.9287 -16.9287 -16.8908 -16.8908 0.3850 0.3850 0.4268 0.4268 4.6126 4.6126 4.9406 4.9406 6.3004 6.3004 8.5516 8.5516 8.9303 8.9303 9.1887 9.1887 9.9026 9.9026 10.4805 10.4805 11.6608 11.6608 11.9479 11.9479 12.1312 12.1312 12.4727 12.4727 12.6438 12.6438 13.8797 13.8797 k =-0.3561 0.6930-0.0000 ( 4090 PWs) bands (ev): -50.3136 -50.3136 -50.3113 -50.3113 -24.6539 -24.6539 -24.6418 -24.6418 -16.9948 -16.9948 -16.9768 -16.9768 -16.9289 -16.9289 -16.8903 -16.8903 0.4347 0.4347 0.4882 0.4882 4.4603 4.4603 4.9965 4.9965 6.2491 6.2491 8.5434 8.5434 8.8340 8.8340 9.1590 9.1590 9.9496 9.9496 10.5385 10.5385 11.5972 11.5972 11.9013 11.9013 12.1593 12.1593 12.4639 12.4639 12.7353 12.7353 13.9123 13.9123 k =-0.3501 0.7166-0.0000 ( 4090 PWs) bands (ev): -50.3136 -50.3136 -50.3112 -50.3112 -24.6542 -24.6542 -24.6422 -24.6422 -16.9965 -16.9965 -16.9793 -16.9793 -16.9291 -16.9291 -16.8899 -16.8899 0.4814 0.4814 0.5555 0.5555 4.3090 4.3090 5.0535 5.0535 6.1975 6.1975 8.5374 8.5374 8.7373 8.7373 9.1302 9.1302 9.9968 9.9968 10.5967 10.5967 11.5302 11.5302 11.8599 11.8599 12.1993 12.1993 12.4480 12.4480 12.8338 12.8338 13.8917 13.8917 k =-0.3441 0.7402-0.0000 ( 4090 PWs) bands (ev): -50.3135 -50.3135 -50.3112 -50.3112 -24.6546 -24.6546 -24.6425 -24.6425 -16.9983 -16.9983 -16.9818 -16.9818 -16.9293 -16.9293 -16.8894 -16.8894 0.5265 0.5265 0.6270 0.6270 4.1591 4.1591 5.1109 5.1109 6.1462 6.1462 8.5269 8.5269 8.6479 8.6479 9.1022 9.1022 10.0441 10.0441 10.6551 10.6551 11.4614 11.4614 11.8247 11.8247 12.2473 12.2473 12.4293 12.4293 12.9344 12.9344 13.8311 13.8311 k =-0.3381 0.7638-0.0000 ( 4112 PWs) bands (ev): -50.3135 -50.3135 -50.3111 -50.3111 -24.6550 -24.6550 -24.6431 -24.6431 -17.0000 -17.0000 -16.9844 -16.9844 -16.9294 -16.9294 -16.8890 -16.8890 0.5704 0.5704 0.7019 0.7019 4.0110 4.0110 5.1682 5.1682 6.0959 6.0959 8.4839 8.4839 8.5945 8.5945 9.0752 9.0752 10.0911 10.0911 10.7135 10.7135 11.3921 11.3921 11.7960 11.7960 12.2975 12.2975 12.4118 12.4118 13.0347 13.0347 13.7514 13.7514 k =-0.3321 0.7873-0.0000 ( 4092 PWs) bands (ev): -50.3134 -50.3134 -50.3111 -50.3111 -24.6553 -24.6553 -24.6433 -24.6433 -17.0016 -17.0016 -16.9866 -16.9866 -16.9294 -16.9294 -16.8884 -16.8884 0.6133 0.6133 0.7798 0.7798 3.8647 3.8647 5.2247 5.2247 6.0471 6.0471 8.3997 8.3997 8.5870 8.5870 9.0494 9.0494 10.1374 10.1374 10.7719 10.7719 11.3228 11.3228 11.7741 11.7741 12.3288 12.3288 12.4144 12.4144 13.1318 13.1318 13.6666 13.6666 k =-0.3261 0.8109-0.0000 ( 4090 PWs) bands (ev): -50.3134 -50.3134 -50.3110 -50.3110 -24.6556 -24.6556 -24.6436 -24.6436 -17.0033 -17.0033 -16.9888 -16.9888 -16.9295 -16.9295 -16.8880 -16.8880 0.6551 0.6551 0.8607 0.8607 3.7206 3.7206 5.2798 5.2798 6.0003 6.0003 8.3050 8.3050 8.5953 8.5953 9.0247 9.0247 10.1827 10.1827 10.8301 10.8301 11.2540 11.2540 11.7594 11.7594 12.3156 12.3156 12.4607 12.4607 13.2188 13.2188 13.5890 13.5890 k =-0.3201 0.8345-0.0000 ( 4088 PWs) bands (ev): -50.3133 -50.3133 -50.3110 -50.3110 -24.6559 -24.6559 -24.6439 -24.6439 -17.0048 -17.0048 -16.9909 -16.9909 -16.9295 -16.9295 -16.8876 -16.8876 0.6953 0.6953 0.9443 0.9443 3.5786 3.5786 5.3327 5.3327 5.9561 5.9561 8.2106 8.2106 8.6098 8.6098 9.0014 9.0014 10.2266 10.2266 10.8878 10.8878 11.1861 11.1861 11.7520 11.7520 12.2819 12.2819 12.5248 12.5248 13.2742 13.2742 13.5427 13.5427 k =-0.3141 0.8581-0.0000 ( 4088 PWs) bands (ev): -50.3133 -50.3133 -50.3109 -50.3109 -24.6562 -24.6562 -24.6442 -24.6442 -17.0063 -17.0063 -16.9928 -16.9928 -16.9295 -16.9295 -16.8871 -16.8871 0.7338 0.7338 1.0306 1.0306 3.4391 3.4391 5.3823 5.3823 5.9150 5.9150 8.1196 8.1196 8.6283 8.6283 8.9796 8.9796 10.2688 10.2688 10.9447 10.9447 11.1193 11.1193 11.7521 11.7521 12.2393 12.2393 12.5931 12.5931 13.2630 13.2630 13.5641 13.5641 k =-0.3081 0.8816-0.0000 ( 4088 PWs) bands (ev): -50.3132 -50.3132 -50.3109 -50.3109 -24.6564 -24.6564 -24.6445 -24.6445 -17.0077 -17.0077 -16.9946 -16.9946 -16.9296 -16.9296 -16.8868 -16.8868 0.7703 0.7703 1.1196 1.1196 3.3022 3.3022 5.4277 5.4277 5.8777 5.8777 8.0342 8.0342 8.6498 8.6498 8.9593 8.9593 10.3092 10.3092 11.0002 11.0002 11.0540 11.0540 11.7599 11.7599 12.1899 12.1899 12.6615 12.6615 13.2025 13.2025 13.6371 13.6371 k =-0.3021 0.9052-0.0000 ( 4090 PWs) bands (ev): -50.3132 -50.3132 -50.3108 -50.3108 -24.6567 -24.6567 -24.6448 -24.6448 -17.0090 -17.0090 -16.9963 -16.9963 -16.9296 -16.9296 -16.8864 -16.8864 0.8042 0.8042 1.2112 1.2112 3.1680 3.1680 5.4674 5.4674 5.8445 5.8445 7.9562 7.9562 8.6737 8.6737 8.9408 8.9408 10.3474 10.3474 10.9883 10.9883 11.0556 11.0556 11.7753 11.7753 12.1344 12.1344 12.7271 12.7271 13.1280 13.1280 13.7273 13.7273 k =-0.2961 0.9288-0.0000 ( 4094 PWs) bands (ev): -50.3132 -50.3132 -50.3108 -50.3108 -24.6569 -24.6569 -24.6450 -24.6450 -17.0102 -17.0102 -16.9979 -16.9979 -16.9296 -16.9296 -16.8861 -16.8861 0.8353 0.8353 1.3054 1.3054 3.0368 3.0368 5.5002 5.5002 5.8161 5.8161 7.8870 7.8870 8.6999 8.6999 8.9240 8.9240 10.3835 10.3835 10.9253 10.9253 11.1072 11.1072 11.7981 11.7981 12.0734 12.0734 12.7867 12.7867 13.0543 13.0543 13.8214 13.8214 k =-0.2901 0.9524-0.0000 ( 4098 PWs) bands (ev): -50.3132 -50.3132 -50.3108 -50.3108 -24.6571 -24.6571 -24.6453 -24.6453 -17.0113 -17.0113 -16.9993 -16.9993 -16.9296 -16.9296 -16.8858 -16.8858 0.8631 0.8631 1.4022 1.4022 2.9089 2.9089 5.5246 5.5246 5.7929 5.7929 7.8285 7.8285 8.7278 8.7278 8.9092 8.9092 10.4174 10.4174 10.8633 10.8633 11.1559 11.1559 11.8277 11.8277 12.0078 12.0078 12.8330 12.8330 12.9917 12.9917 13.9140 13.9140 k =-0.2842 0.9760-0.0000 ( 4098 PWs) bands (ev): -50.3131 -50.3131 -50.3108 -50.3108 -24.6573 -24.6573 -24.6455 -24.6455 -17.0123 -17.0123 -17.0004 -17.0004 -16.9296 -16.9296 -16.8855 -16.8855 0.8872 0.8872 1.5016 1.5016 2.7844 2.7844 5.5393 5.5393 5.7752 5.7752 7.7820 7.7820 8.7571 8.7571 8.8966 8.8966 10.4493 10.4493 10.8026 10.8026 11.2003 11.2003 11.8613 11.8613 11.9406 11.9406 12.8443 12.8443 12.9628 12.9628 13.9989 13.9989 k =-0.2782 0.9995-0.0000 ( 4106 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6575 -24.6575 -24.6457 -24.6457 -17.0131 -17.0131 -17.0014 -17.0014 -16.9296 -16.9296 -16.8853 -16.8853 0.9070 0.9070 1.6034 1.6034 2.6637 2.6637 5.5436 5.5436 5.7631 5.7631 7.7490 7.7490 8.7872 8.7872 8.8867 8.8867 10.4794 10.4794 10.7432 10.7432 11.2392 11.2392 11.8505 11.8505 11.9204 11.9204 12.8115 12.8115 12.9768 12.9768 14.0408 14.0408 k =-0.2722 1.0231-0.0000 ( 4098 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6576 -24.6576 -24.6457 -24.6457 -17.0138 -17.0138 -17.0022 -17.0022 -16.9296 -16.9296 -16.8850 -16.8850 0.9220 0.9220 1.7077 1.7077 2.5471 2.5471 5.5371 5.5371 5.7563 5.7563 7.7302 7.7302 8.8166 8.8166 8.8808 8.8808 10.5077 10.5077 10.6854 10.6854 11.2709 11.2709 11.7776 11.7776 11.9652 11.9652 12.7696 12.7696 12.9990 12.9990 13.9757 13.9757 k =-0.2662 1.0467-0.0000 ( 4114 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0145 -17.0145 -17.0028 -17.0028 -16.9297 -16.9297 -16.8849 -16.8849 0.9318 0.9318 1.8145 1.8145 2.4351 2.4351 5.5199 5.5199 5.7547 5.7547 7.7263 7.7263 8.8398 8.8398 8.8842 8.8842 10.5334 10.5334 10.6302 10.6302 11.2936 11.2936 11.6982 11.6982 12.0197 12.0197 12.7347 12.7347 13.0137 13.0137 13.8730 13.8730 k =-0.2662 1.0467-0.0000 ( 4114 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0145 -17.0145 -17.0028 -17.0028 -16.9297 -16.9297 -16.8849 -16.8849 0.9318 0.9318 1.8145 1.8145 2.4351 2.4351 5.5199 5.5199 5.7547 5.7547 7.7263 7.7263 8.8398 8.8398 8.8842 8.8842 10.5334 10.5334 10.6302 10.6302 11.2936 11.2936 11.6982 11.6982 12.0197 12.0197 12.7347 12.7347 13.0137 13.0137 13.8730 13.8730 k =-0.2662 1.0467 0.0244 ( 4106 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0144 -17.0144 -17.0028 -17.0028 -16.9298 -16.9298 -16.8849 -16.8849 0.9329 0.9329 1.8158 1.8158 2.4364 2.4364 5.5179 5.5179 5.7563 5.7563 7.7281 7.7281 8.8368 8.8368 8.8828 8.8828 10.5204 10.5204 10.6279 10.6279 11.2893 11.2893 11.6840 11.6840 12.0281 12.0281 12.7420 12.7420 13.0177 13.0177 13.8562 13.8562 k =-0.2662 1.0467 0.0488 ( 4106 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6459 -24.6459 -17.0144 -17.0144 -17.0028 -17.0028 -16.9300 -16.9300 -16.8852 -16.8852 0.9360 0.9360 1.8196 1.8196 2.4406 2.4406 5.5119 5.5119 5.7612 5.7612 7.7336 7.7336 8.8279 8.8279 8.8787 8.8787 10.4828 10.4828 10.6214 10.6214 11.2756 11.2756 11.6426 11.6426 12.0524 12.0524 12.7634 12.7634 13.0291 13.0291 13.8186 13.8186 k =-0.2662 1.0467 0.0731 ( 4100 PWs) bands (ev): -50.3131 -50.3131 -50.3107 -50.3107 -24.6578 -24.6578 -24.6460 -24.6460 -17.0142 -17.0142 -17.0028 -17.0028 -16.9303 -16.9303 -16.8856 -16.8856 0.9413 0.9413 1.8260 1.8260 2.4475 2.4475 5.5016 5.5016 5.7694 5.7694 7.7426 7.7426 8.8137 8.8137 8.8715 8.8715 10.4238 10.4238 10.6109 10.6109 11.2513 11.2513 11.5775 11.5775 12.0903 12.0903 12.7978 12.7978 13.0477 13.0477 13.7768 13.7768 k =-0.2662 1.0467 0.0975 ( 4106 PWs) bands (ev): -50.3130 -50.3130 -50.3107 -50.3107 -24.6579 -24.6579 -24.6462 -24.6462 -17.0141 -17.0141 -17.0028 -17.0028 -16.9308 -16.9308 -16.8863 -16.8863 0.9487 0.9487 1.8350 1.8350 2.4571 2.4571 5.4872 5.4872 5.7810 5.7810 7.7553 7.7553 8.7946 8.7946 8.8607 8.8607 10.3483 10.3483 10.5962 10.5962 11.2158 11.2158 11.4926 11.4926 12.1391 12.1391 12.8434 12.8434 13.0724 13.0724 13.7381 13.7381 k =-0.2662 1.0467 0.1219 ( 4104 PWs) bands (ev): -50.3130 -50.3130 -50.3107 -50.3107 -24.6579 -24.6579 -24.6463 -24.6463 -17.0139 -17.0139 -17.0028 -17.0028 -16.9315 -16.9315 -16.8871 -16.8871 0.9582 0.9582 1.8465 1.8465 2.4695 2.4695 5.4683 5.4683 5.7962 5.7962 7.7714 7.7714 8.7711 8.7711 8.8461 8.8461 10.2611 10.2611 10.5766 10.5766 11.1693 11.1693 11.3921 11.3921 12.1959 12.1959 12.8985 12.8985 13.1024 13.1024 13.7048 13.7048 k =-0.2662 1.0467 0.1463 ( 4100 PWs) bands (ev): -50.3130 -50.3130 -50.3106 -50.3106 -24.6581 -24.6581 -24.6465 -24.6465 -17.0137 -17.0137 -17.0028 -17.0028 -16.9323 -16.9323 -16.8880 -16.8880 0.9698 0.9698 1.8605 1.8605 2.4846 2.4846 5.4449 5.4449 5.8149 5.8149 7.7908 7.7908 8.7439 8.7439 8.8271 8.8271 10.1666 10.1666 10.5511 10.5511 11.1128 11.1128 11.2809 11.2809 12.2577 12.2577 12.9608 12.9608 13.1370 13.1370 13.6777 13.6777 k =-0.2662 1.0467 0.1707 ( 4102 PWs) bands (ev): -50.3129 -50.3129 -50.3106 -50.3106 -24.6582 -24.6582 -24.6467 -24.6467 -17.0134 -17.0134 -17.0029 -17.0029 -16.9332 -16.9332 -16.8891 -16.8891 0.9836 0.9836 1.8770 1.8770 2.5023 2.5023 5.4171 5.4171 5.8372 5.8372 7.8135 7.8135 8.7135 8.7135 8.8032 8.8032 10.0681 10.0681 10.5182 10.5182 11.0467 11.0467 11.1644 11.1644 12.3223 12.3223 13.0280 13.0280 13.1757 13.1757 13.6568 13.6568 k =-0.2662 1.0467 0.1950 ( 4107 PWs) bands (ev): -50.3129 -50.3129 -50.3106 -50.3106 -24.6583 -24.6583 -24.6470 -24.6470 -17.0132 -17.0132 -17.0029 -17.0029 -16.9343 -16.9343 -16.8904 -16.8904 0.9994 0.9994 1.8961 1.8961 2.5228 2.5228 5.3847 5.3847 5.8631 5.8631 7.8392 7.8392 8.6803 8.6803 8.7740 8.7740 9.9689 9.9689 10.4755 10.4755 10.9694 10.9694 11.0509 11.0509 12.3880 12.3880 13.0968 13.0968 13.2194 13.2194 13.6417 13.6417 k =-0.2662 1.0467 0.2194 ( 4109 PWs) bands (ev): -50.3128 -50.3128 -50.3106 -50.3106 -24.6585 -24.6585 -24.6474 -24.6474 -17.0129 -17.0129 -17.0030 -17.0030 -16.9355 -16.9355 -16.8919 -16.8919 1.0173 1.0173 1.9176 1.9176 2.5458 2.5458 5.3479 5.3479 5.8925 5.8925 7.8677 7.8677 8.6444 8.6444 8.7392 8.7392 9.8715 9.8715 10.4193 10.4193 10.8781 10.8781 10.9504 10.9504 12.4534 12.4534 13.1618 13.1618 13.2708 13.2708 13.6321 13.6321 k =-0.2662 1.0467 0.2438 ( 4107 PWs) bands (ev): -50.3128 -50.3128 -50.3105 -50.3105 -24.6587 -24.6587 -24.6477 -24.6477 -17.0125 -17.0125 -17.0030 -17.0030 -16.9368 -16.9368 -16.8934 -16.8934 1.0373 1.0373 1.9415 1.9415 2.5715 2.5715 5.3067 5.3067 5.9253 5.9253 7.8987 7.8987 8.6052 8.6052 8.6993 8.6993 9.7782 9.7782 10.3451 10.3451 10.7802 10.7802 10.8630 10.8630 12.5181 12.5181 13.2172 13.2172 13.3337 13.3337 13.6274 13.6274 k =-0.2662 1.0467 0.2682 ( 4105 PWs) bands (ev): -50.3127 -50.3127 -50.3105 -50.3105 -24.6588 -24.6588 -24.6480 -24.6480 -17.0122 -17.0122 -17.0031 -17.0031 -16.9381 -16.9381 -16.8951 -16.8951 1.0594 1.0594 1.9679 1.9679 2.5996 2.5996 5.2611 5.2611 5.9614 5.9614 7.9317 7.9317 8.5607 8.5607 8.6563 8.6563 9.6910 9.6910 10.2495 10.2495 10.6899 10.6899 10.7807 10.7807 12.5816 12.5816 13.2617 13.2617 13.4075 13.4075 13.6268 13.6268 k =-0.2662 1.0467 0.2926 ( 4102 PWs) bands (ev): -50.3126 -50.3126 -50.3105 -50.3105 -24.6590 -24.6590 -24.6484 -24.6484 -17.0119 -17.0119 -17.0032 -17.0032 -16.9395 -16.9395 -16.8969 -16.8969 1.0836 1.0836 1.9967 1.9967 2.6303 2.6303 5.2114 5.2114 6.0007 6.0007 7.9661 7.9661 8.5071 8.5071 8.6142 8.6142 9.6111 9.6111 10.1333 10.1333 10.6121 10.6121 10.6999 10.6999 12.6440 12.6440 13.2985 13.2985 13.4877 13.4877 13.6290 13.6290 k =-0.2662 1.0467 0.3169 ( 4096 PWs) bands (ev): -50.3126 -50.3126 -50.3104 -50.3104 -24.6591 -24.6591 -24.6488 -24.6488 -17.0115 -17.0115 -17.0033 -17.0033 -16.9409 -16.9409 -16.8987 -16.8987 1.1099 1.1099 2.0279 2.0279 2.6634 2.6634 5.1576 5.1576 6.0431 6.0431 8.0011 8.0011 8.4413 8.4413 8.5773 8.5773 9.5393 9.5393 10.0011 10.0011 10.5450 10.5450 10.6202 10.6202 12.7053 12.7053 13.3306 13.3306 13.5690 13.5690 13.6343 13.6343 k =-0.2662 1.0467 0.3413 ( 4100 PWs) bands (ev): -50.3125 -50.3125 -50.3104 -50.3104 -24.6594 -24.6594 -24.6492 -24.6492 -17.0112 -17.0112 -17.0034 -17.0034 -16.9424 -16.9424 -16.9007 -16.9007 1.1382 1.1382 2.0614 2.0614 2.6989 2.6989 5.1000 5.1000 6.0884 6.0884 8.0356 8.0356 8.3630 8.3630 8.5475 8.5475 9.4754 9.4754 9.8586 9.8586 10.4841 10.4841 10.5420 10.5420 12.7658 12.7658 13.3600 13.3600 13.6222 13.6222 13.6677 13.6677 k =-0.2662 1.0467 0.3657 ( 4108 PWs) bands (ev): -50.3124 -50.3124 -50.3104 -50.3104 -24.6597 -24.6597 -24.6497 -24.6497 -17.0110 -17.0110 -17.0036 -17.0036 -16.9440 -16.9440 -16.9028 -16.9028 1.1685 1.1685 2.0971 2.0971 2.7366 2.7366 5.0387 5.0387 6.1364 6.1364 8.0681 8.0681 8.2742 8.2742 8.5254 8.5254 9.4184 9.4184 9.7108 9.7108 10.4247 10.4247 10.4675 10.4675 12.8257 12.8257 13.3882 13.3882 13.6265 13.6265 13.7470 13.7470 k =-0.2662 1.0467 0.3901 ( 4098 PWs) bands (ev): -50.3123 -50.3123 -50.3103 -50.3103 -24.6598 -24.6598 -24.6501 -24.6501 -17.0107 -17.0107 -17.0037 -17.0037 -16.9455 -16.9455 -16.9049 -16.9049 1.2009 1.2009 2.1351 2.1351 2.7766 2.7766 4.9739 4.9739 6.1870 6.1870 8.0956 8.0956 8.1782 8.1782 8.5116 8.5116 9.3652 9.3652 9.5627 9.5627 10.3612 10.3612 10.4006 10.4006 12.8852 12.8852 13.4162 13.4162 13.6221 13.6221 13.8297 13.8297 k =-0.2662 1.0467 0.4145 ( 4102 PWs) bands (ev): -50.3122 -50.3122 -50.3103 -50.3103 -24.6601 -24.6601 -24.6506 -24.6506 -17.0105 -17.0105 -17.0039 -17.0039 -16.9471 -16.9471 -16.9070 -16.9070 1.2354 1.2354 2.1753 2.1753 2.8187 2.8187 4.9059 4.9059 6.2397 6.2397 8.0688 8.0688 8.1246 8.1246 8.5073 8.5073 9.3056 9.3056 9.4258 9.4258 10.2917 10.2917 10.3426 10.3426 12.9447 12.9447 13.4448 13.4448 13.6120 13.6120 13.9114 13.9114 k =-0.2662 1.0467 0.4388 ( 4104 PWs) bands (ev): -50.3121 -50.3121 -50.3102 -50.3102 -24.6603 -24.6603 -24.6511 -24.6511 -17.0103 -17.0103 -17.0041 -17.0041 -16.9486 -16.9486 -16.9092 -16.9092 1.2718 1.2718 2.2175 2.2175 2.8628 2.8628 4.8349 4.8349 6.2944 6.2944 7.9638 7.9638 8.1374 8.1374 8.5131 8.5131 9.2064 9.2064 9.3341 9.3341 10.2202 10.2202 10.2895 10.2895 13.0043 13.0043 13.4739 13.4739 13.5968 13.5968 13.9909 13.9909 k =-0.2662 1.0467 0.4632 ( 4104 PWs) bands (ev): -50.3120 -50.3120 -50.3102 -50.3102 -24.6606 -24.6606 -24.6516 -24.6516 -17.0103 -17.0103 -17.0043 -17.0043 -16.9500 -16.9500 -16.9114 -16.9114 1.3103 1.3103 2.2617 2.2617 2.9087 2.9087 4.7613 4.7613 6.3504 6.3504 7.8546 7.8546 8.1435 8.1435 8.5284 8.5284 9.0701 9.0701 9.2857 9.2857 10.1496 10.1496 10.2385 10.2385 13.0642 13.0642 13.5013 13.5013 13.5792 13.5792 14.0678 14.0678 k =-0.2662 1.0467 0.4876 ( 4098 PWs) bands (ev): -50.3119 -50.3119 -50.3102 -50.3102 -24.6608 -24.6608 -24.6521 -24.6521 -17.0102 -17.0102 -17.0046 -17.0046 -16.9514 -16.9514 -16.9136 -16.9136 1.3508 1.3508 2.3079 2.3079 2.9564 2.9564 4.6852 4.6852 6.4072 6.4072 7.7449 7.7449 8.1410 8.1410 8.5503 8.5503 8.9289 8.9289 9.2506 9.2506 10.0811 10.0811 10.1889 10.1889 13.1245 13.1245 13.5133 13.5133 13.5739 13.5739 14.1415 14.1415 k =-0.2662 1.0467 0.5120 ( 4098 PWs) bands (ev): -50.3118 -50.3118 -50.3101 -50.3101 -24.6610 -24.6610 -24.6527 -24.6527 -17.0103 -17.0103 -17.0049 -17.0049 -16.9526 -16.9526 -16.9158 -16.9158 1.3932 1.3932 2.3559 2.3559 3.0057 3.0057 4.6071 4.6071 6.4636 6.4636 7.6368 7.6368 8.1300 8.1300 8.5708 8.5708 8.7982 8.7982 9.2202 9.2202 10.0156 10.0156 10.1404 10.1404 13.1853 13.1853 13.4934 13.4934 13.5983 13.5983 14.2115 14.2115 k =-0.2662 1.0467 0.5364 ( 4103 PWs) bands (ev): -50.3117 -50.3117 -50.3101 -50.3101 -24.6612 -24.6612 -24.6533 -24.6533 -17.0104 -17.0104 -17.0052 -17.0052 -16.9539 -16.9539 -16.9181 -16.9181 1.4376 1.4376 2.4057 2.4057 3.0563 3.0563 4.5272 4.5272 6.5182 6.5182 7.5327 7.5327 8.1092 8.1092 8.5593 8.5593 8.7110 8.7110 9.1921 9.1921 9.9536 9.9536 10.0932 10.0932 13.2465 13.2465 13.4596 13.4596 13.6357 13.6357 14.2774 14.2774 k =-0.2662 1.0467 0.5607 ( 4101 PWs) bands (ev): -50.3116 -50.3116 -50.3101 -50.3101 -24.6614 -24.6614 -24.6538 -24.6538 -17.0106 -17.0106 -17.0056 -17.0056 -16.9549 -16.9549 -16.9202 -16.9202 1.4840 1.4840 2.4569 2.4569 3.1081 3.1081 4.4458 4.4458 6.5684 6.5684 7.4359 7.4359 8.0748 8.0748 8.4810 8.4810 8.7059 8.7059 9.1651 9.1651 9.8956 9.8956 10.0477 10.0477 13.3076 13.3076 13.4215 13.4215 13.6784 13.6784 14.3384 14.3384 k =-0.2662 1.0467 0.5851 ( 4106 PWs) bands (ev): -50.3115 -50.3115 -50.3100 -50.3100 -24.6617 -24.6617 -24.6544 -24.6544 -17.0109 -17.0109 -17.0061 -17.0061 -16.9558 -16.9558 -16.9224 -16.9224 1.5322 1.5322 2.5096 2.5096 3.1608 3.1608 4.3633 4.3633 6.6103 6.6103 7.3508 7.3508 8.0196 8.0196 8.3926 8.3926 8.7331 8.7331 9.1384 9.1384 9.8420 9.8420 10.0043 10.0043 13.3582 13.3582 13.3922 13.3922 13.7247 13.7247 14.3940 14.3940 k =-0.2662 1.0467 0.6095 ( 4112 PWs) bands (ev): -50.3114 -50.3114 -50.3100 -50.3100 -24.6619 -24.6619 -24.6550 -24.6550 -17.0113 -17.0113 -17.0066 -17.0066 -16.9566 -16.9566 -16.9245 -16.9245 1.5824 1.5824 2.5634 2.5634 3.2141 3.2141 4.2801 4.2801 6.6376 6.6376 7.2843 7.2843 7.9381 7.9381 8.3261 8.3261 8.7653 8.7653 9.1114 9.1114 9.7933 9.7933 9.9633 9.9633 13.3327 13.3327 13.4389 13.4389 13.7743 13.7743 14.4436 14.4436 k =-0.2662 1.0467 0.6339 ( 4115 PWs) bands (ev): -50.3113 -50.3113 -50.3100 -50.3100 -24.6621 -24.6621 -24.6555 -24.6555 -17.0117 -17.0117 -17.0072 -17.0072 -16.9572 -16.9572 -16.9265 -16.9265 1.6344 1.6344 2.6180 2.6180 3.2677 3.2677 4.1965 4.1965 6.6429 6.6429 7.2441 7.2441 7.8336 7.8336 8.2839 8.2839 8.7959 8.7959 9.0836 9.0836 9.7498 9.7498 9.9255 9.9255 13.2933 13.2933 13.5009 13.5009 13.8269 13.8269 14.4869 14.4869 k =-0.2662 1.0467 0.6583 ( 4111 PWs) bands (ev): -50.3112 -50.3112 -50.3099 -50.3099 -24.6623 -24.6623 -24.6560 -24.6560 -17.0121 -17.0121 -17.0078 -17.0078 -16.9577 -16.9577 -16.9285 -16.9285 1.6883 1.6883 2.6733 2.6733 3.3211 3.3211 4.1129 4.1129 6.6217 6.6217 7.2349 7.2349 7.7155 7.7155 8.2588 8.2588 8.8221 8.8221 9.0549 9.0549 9.7118 9.7118 9.8912 9.8912 13.2555 13.2555 13.5635 13.5635 13.8822 13.8822 14.5238 14.5238 k =-0.2662 1.0467 0.6826 ( 4121 PWs) bands (ev): -50.3111 -50.3111 -50.3099 -50.3099 -24.6625 -24.6625 -24.6566 -24.6566 -17.0127 -17.0127 -17.0085 -17.0085 -16.9580 -16.9580 -16.9304 -16.9304 1.7440 1.7440 2.7286 2.7286 3.3740 3.3740 4.0299 4.0299 6.5771 6.5771 7.2536 7.2536 7.5920 7.5920 8.2442 8.2442 8.8421 8.8421 9.0252 9.0252 9.6794 9.6794 9.8609 9.8609 13.2214 13.2214 13.6254 13.6254 13.9400 13.9400 14.5544 14.5544 k =-0.2662 1.0467 0.7070 ( 4121 PWs) bands (ev): -50.3110 -50.3110 -50.3099 -50.3099 -24.6626 -24.6626 -24.6571 -24.6571 -17.0132 -17.0132 -17.0092 -17.0092 -16.9582 -16.9582 -16.9323 -16.9323 1.8014 1.8014 2.7834 2.7834 3.4257 3.4257 3.9481 3.9481 6.5172 6.5172 7.2888 7.2888 7.4712 7.4712 8.2361 8.2361 8.8543 8.8543 8.9948 8.9948 9.6525 9.6525 9.8348 9.8348 13.1924 13.1924 13.6858 13.6858 14.0002 14.0002 14.5789 14.5789 k =-0.2662 1.0467 0.7314 ( 4123 PWs) bands (ev): -50.3109 -50.3109 -50.3099 -50.3099 -24.6627 -24.6627 -24.6576 -24.6576 -17.0137 -17.0137 -17.0100 -17.0100 -16.9582 -16.9582 -16.9341 -16.9341 1.8606 1.8606 2.8368 2.8368 3.4756 3.4756 3.8684 3.8684 6.4499 6.4499 7.2932 7.2932 7.3955 7.3955 8.2326 8.2326 8.8578 8.8578 8.9640 8.9640 9.6309 9.6309 9.8131 9.8131 13.1697 13.1697 13.7432 13.7432 14.0623 14.0623 14.5980 14.5980 k =-0.2662 1.0467 0.7558 ( 4127 PWs) bands (ev): -50.3109 -50.3109 -50.3099 -50.3099 -24.6628 -24.6628 -24.6581 -24.6581 -17.0142 -17.0142 -17.0108 -17.0108 -16.9581 -16.9581 -16.9358 -16.9358 1.9215 1.9215 2.8875 2.8875 3.5230 3.5230 3.7919 3.7919 6.3812 6.3812 7.1935 7.1935 7.4343 7.4343 8.2322 8.2322 8.8517 8.8517 8.9337 8.9337 9.6144 9.6144 9.7953 9.7953 13.1543 13.1543 13.7959 13.7959 14.1261 14.1261 14.6124 14.6124 k =-0.2662 1.0467 0.7802 ( 4127 PWs) bands (ev): -50.3108 -50.3108 -50.3099 -50.3099 -24.6629 -24.6629 -24.6586 -24.6586 -17.0147 -17.0147 -17.0116 -17.0116 -16.9579 -16.9579 -16.9374 -16.9374 1.9841 1.9841 2.9339 2.9339 3.5670 3.5670 3.7204 3.7204 6.3149 6.3149 7.0756 7.0756 7.4998 7.4998 8.2342 8.2342 8.8360 8.8360 8.9043 8.9043 9.6026 9.6026 9.7809 9.7809 13.1472 13.1472 13.8415 13.8415 14.1911 14.1911 14.6237 14.6237 k =-0.2662 1.0467 0.8045 ( 4129 PWs) bands (ev): -50.3107 -50.3107 -50.3099 -50.3099 -24.6630 -24.6630 -24.6591 -24.6591 -17.0152 -17.0152 -17.0123 -17.0123 -16.9575 -16.9575 -16.9390 -16.9390 2.0482 2.0482 2.9730 2.9730 3.6061 3.6061 3.6573 3.6573 6.2538 6.2538 6.9585 6.9585 7.5713 7.5713 8.2379 8.2379 8.8123 8.8123 8.8756 8.8756 9.5950 9.5950 9.7689 9.7689 13.1490 13.1490 13.8767 13.8767 14.2570 14.2570 14.6343 14.6343 k =-0.2662 1.0467 0.8289 ( 4125 PWs) bands (ev): -50.3106 -50.3106 -50.3099 -50.3099 -24.6630 -24.6630 -24.6595 -24.6595 -17.0157 -17.0157 -17.0131 -17.0131 -16.9571 -16.9571 -16.9405 -16.9405 2.1138 2.1138 3.0011 3.0011 3.6006 3.6006 3.6448 3.6448 6.2000 6.2000 6.8450 6.8450 7.6453 7.6453 8.2428 8.2428 8.7829 8.7829 8.8463 8.8463 9.5914 9.5914 9.7586 9.7586 13.1601 13.1601 13.8980 13.8980 14.3232 14.3232 14.6475 14.6475 k =-0.2662 1.0467 0.8533 ( 4127 PWs) bands (ev): -50.3105 -50.3105 -50.3099 -50.3099 -24.6630 -24.6630 -24.6599 -24.6599 -17.0161 -17.0161 -17.0138 -17.0138 -16.9565 -16.9565 -16.9420 -16.9420 2.1808 2.1808 3.0134 3.0134 3.5641 3.5641 3.6728 3.6728 6.1553 6.1553 6.7363 6.7363 7.7203 7.7203 8.2482 8.2482 8.7501 8.7501 8.8162 8.8162 9.5913 9.5913 9.7488 9.7488 13.1807 13.1807 13.9023 13.9023 14.3895 14.3895 14.6662 14.6662 k =-0.2662 1.0467 0.8777 ( 4125 PWs) bands (ev): -50.3104 -50.3104 -50.3099 -50.3099 -24.6629 -24.6629 -24.6603 -24.6603 -17.0164 -17.0164 -17.0144 -17.0144 -16.9559 -16.9559 -16.9434 -16.9434 2.2491 2.2491 3.0058 3.0058 3.5458 3.5458 3.6951 3.6951 6.1210 6.1210 6.6331 6.6331 7.7952 7.7952 8.2532 8.2532 8.7153 8.7153 8.7856 8.7856 9.5943 9.5943 9.7390 9.7390 13.2106 13.2106 13.8881 13.8881 14.4552 14.4552 14.6918 14.6918 k =-0.2662 1.0467 0.9021 ( 4125 PWs) bands (ev): -50.3104 -50.3104 -50.3099 -50.3099 -24.6629 -24.6629 -24.6606 -24.6606 -17.0167 -17.0167 -17.0151 -17.0151 -16.9551 -16.9551 -16.9447 -16.9447 2.3186 2.3186 2.9781 2.9781 3.5463 3.5463 3.7101 3.7101 6.0982 6.0982 6.5363 6.5363 7.8688 7.8688 8.2566 8.2566 8.6797 8.6797 8.7560 8.7560 9.6000 9.6000 9.7286 9.7286 13.2495 13.2495 13.8565 13.8565 14.5195 14.5195 14.7232 14.7232 k =-0.2662 1.0467 0.9264 ( 4113 PWs) bands (ev): -50.3103 -50.3103 -50.3099 -50.3099 -24.6627 -24.6627 -24.6609 -24.6609 -17.0169 -17.0169 -17.0155 -17.0155 -16.9543 -16.9543 -16.9459 -16.9459 2.3892 2.3892 2.9337 2.9337 3.5616 3.5616 3.7173 3.7173 6.0877 6.0877 6.4468 6.4468 7.9402 7.9402 8.2567 8.2567 8.6445 8.6445 8.7290 8.7290 9.6080 9.6080 9.7175 9.7175 13.2967 13.2967 13.8103 13.8103 14.5808 14.5808 14.7572 14.7572 k =-0.2662 1.0467 0.9508 ( 4107 PWs) bands (ev): -50.3102 -50.3102 -50.3100 -50.3100 -24.6625 -24.6625 -24.6612 -24.6612 -17.0170 -17.0170 -17.0159 -17.0159 -16.9534 -16.9534 -16.9471 -16.9471 2.4605 2.4605 2.8777 2.8777 3.5859 3.5859 3.7165 3.7165 6.0900 6.0900 6.3654 6.3654 8.0082 8.0082 8.2512 8.2512 8.6119 8.6119 8.7062 8.7062 9.6176 9.6176 9.7056 9.7056 13.3511 13.3511 13.7532 13.7532 14.6365 14.6365 14.7891 14.7891 k =-0.2662 1.0467 0.9752 ( 4105 PWs) bands (ev): -50.3102 -50.3102 -50.3100 -50.3100 -24.6624 -24.6624 -24.6615 -24.6615 -17.0171 -17.0171 -17.0163 -17.0163 -16.9525 -16.9525 -16.9483 -16.9483 2.5323 2.5323 2.8143 2.8143 3.6143 3.6143 3.7080 3.7080 6.1051 6.1051 6.2931 6.2931 8.0714 8.0714 8.2373 8.2373 8.5851 8.5851 8.6888 8.6888 9.6282 9.6282 9.6937 9.6937 13.4115 13.4115 13.6892 13.6892 14.6826 14.6826 14.8143 14.8143 k =-0.2662 1.0467 0.9996 ( 4107 PWs) bands (ev): -50.3101 -50.3101 -50.3100 -50.3100 -24.6622 -24.6622 -24.6618 -24.6618 -17.0171 -17.0171 -17.0166 -17.0166 -16.9516 -16.9516 -16.9494 -16.9494 2.6042 2.6042 2.7466 2.7466 3.6427 3.6427 3.6927 3.6927 6.1318 6.1318 6.2318 6.2318 8.1278 8.1278 8.2125 8.2125 8.5673 8.5673 8.6778 8.6778 9.6380 9.6380 9.6831 9.6831 13.4754 13.4754 13.6223 13.6223 14.7139 14.7139 14.8299 14.8299 k =-0.2662 1.0467 1.0240 ( 4114 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6621 -24.6621 -24.6620 -24.6620 -17.0171 -17.0171 -17.0167 -17.0167 -16.9509 -16.9509 -16.9502 -16.9502 2.6698 2.6698 2.6821 2.6821 3.6634 3.6634 3.6765 3.6765 6.1577 6.1577 6.1944 6.1944 8.1719 8.1719 8.1793 8.1793 8.5611 8.5611 8.6741 8.6741 9.6427 9.6427 9.6781 9.6781 13.5246 13.5246 13.5720 13.5720 14.7252 14.7252 14.8351 14.8351 k =-0.2662 1.0467 1.0240 ( 4114 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6621 -24.6621 -24.6620 -24.6620 -17.0171 -17.0171 -17.0167 -17.0167 -16.9509 -16.9509 -16.9502 -16.9502 2.6698 2.6698 2.6821 2.6821 3.6634 3.6634 3.6765 3.6765 6.1577 6.1577 6.1944 6.1944 8.1719 8.1719 8.1793 8.1793 8.5611 8.5611 8.6741 8.6741 9.6427 9.6427 9.6781 9.6781 13.5246 13.5246 13.5720 13.5720 14.7252 14.7252 14.8351 14.8351 k =-0.2722 1.0231 1.0240 ( 4114 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6620 -24.6620 -24.6619 -24.6619 -17.0166 -17.0166 -17.0164 -17.0164 -16.9509 -16.9509 -16.9502 -16.9502 2.6657 2.6657 2.6797 2.6797 3.6392 3.6392 3.6572 3.6572 6.1776 6.1776 6.2083 6.2083 8.2071 8.2071 8.2084 8.2084 8.5724 8.5724 8.6827 8.6827 9.6300 9.6300 9.6718 9.6718 13.4670 13.4670 13.5133 13.5133 14.7419 14.7419 14.8866 14.8866 k =-0.2782 0.9995 1.0240 ( 4106 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6619 -24.6619 -24.6617 -24.6617 -17.0160 -17.0160 -17.0158 -17.0158 -16.9509 -16.9509 -16.9501 -16.9501 2.6603 2.6603 2.6761 2.6761 3.6087 3.6087 3.6311 3.6311 6.2085 6.2085 6.2337 6.2337 8.2372 8.2372 8.2428 8.2428 8.5851 8.5851 8.6920 8.6920 9.6159 9.6159 9.6639 9.6639 13.4151 13.4151 13.4607 13.4607 14.7492 14.7492 14.9219 14.9219 k =-0.2842 0.9760 1.0240 ( 4106 PWs) bands (ev): -50.3101 -50.3101 -50.3101 -50.3101 -24.6618 -24.6618 -24.6615 -24.6615 -17.0153 -17.0153 -17.0152 -17.0152 -16.9508 -16.9508 -16.9501 -16.9501 2.6539 2.6539 2.6712 2.6712 3.5725 3.5725 3.5988 3.5988 6.2496 6.2496 6.2701 6.2701 8.2655 8.2655 8.2790 8.2790 8.5996 8.5996 8.7020 8.7020 9.6000 9.6000 9.6537 9.6537 13.3704 13.3704 13.4159 13.4159 14.7487 14.7487 14.9404 14.9404 k =-0.2901 0.9524 1.0240 ( 4110 PWs) bands (ev): -50.3102 -50.3102 -50.3102 -50.3102 -24.6617 -24.6617 -24.6614 -24.6614 -17.0145 -17.0145 -17.0145 -17.0145 -16.9509 -16.9509 -16.9500 -16.9500 2.6465 2.6465 2.6653 2.6653 3.5313 3.5313 3.5609 3.5609 6.3000 6.3000 6.3165 6.3165 8.2931 8.2931 8.3155 8.3155 8.6159 8.6159 8.7129 8.7129 9.5820 9.5820 9.6411 9.6411 13.3341 13.3341 13.3799 13.3799 14.7419 14.7419 14.9435 14.9435 k =-0.2961 0.9288 1.0240 ( 4114 PWs) bands (ev): -50.3102 -50.3102 -50.3102 -50.3102 -24.6615 -24.6615 -24.6612 -24.6612 -17.0137 -17.0137 -17.0136 -17.0136 -16.9508 -16.9508 -16.9500 -16.9500 2.6383 2.6383 2.6584 2.6584 3.4857 3.4857 3.5181 3.5181 6.3590 6.3590 6.3722 6.3722 8.3198 8.3198 8.3523 8.3523 8.6344 8.6344 8.7248 8.7248 9.5619 9.5619 9.6257 9.6257 13.3067 13.3067 13.3534 13.3534 14.7306 14.7306 14.9332 14.9332 k =-0.3021 0.9052 1.0240 ( 4110 PWs) bands (ev): -50.3102 -50.3102 -50.3102 -50.3102 -24.6613 -24.6613 -24.6610 -24.6610 -17.0127 -17.0127 -17.0125 -17.0125 -16.9508 -16.9508 -16.9499 -16.9499 2.6293 2.6293 2.6506 2.6506 3.4366 3.4366 3.4712 3.4712 6.4256 6.4256 6.4362 6.4362 8.3454 8.3454 8.3889 8.3889 8.6555 8.6555 8.7381 8.7381 9.5398 9.5398 9.6075 9.6075 13.2886 13.2886 13.3367 13.3367 14.7157 14.7157 14.9101 14.9101 k =-0.3081 0.8816 1.0240 ( 4114 PWs) bands (ev): -50.3103 -50.3103 -50.3103 -50.3103 -24.6611 -24.6611 -24.6607 -24.6607 -17.0117 -17.0117 -17.0114 -17.0114 -16.9507 -16.9507 -16.9499 -16.9499 2.6196 2.6196 2.6419 2.6419 3.3848 3.3848 3.4209 3.4209 6.4989 6.4989 6.5077 6.5077 8.3694 8.3694 8.4249 8.4249 8.6793 8.6793 8.7529 8.7529 9.5158 9.5158 9.5867 9.5867 13.2799 13.2799 13.3300 13.3300 14.6981 14.6981 14.8743 14.8743 k =-0.3141 0.8581 1.0240 ( 4122 PWs) bands (ev): -50.3103 -50.3103 -50.3103 -50.3103 -24.6609 -24.6609 -24.6605 -24.6605 -17.0107 -17.0107 -17.0103 -17.0103 -16.9507 -16.9507 -16.9498 -16.9498 2.6093 2.6093 2.6325 2.6325 3.3308 3.3308 3.3679 3.3679 6.5781 6.5781 6.5857 6.5857 8.3917 8.3917 8.4596 8.4596 8.7060 8.7060 8.7698 8.7698 9.4906 9.4906 9.5636 9.5636 13.2803 13.2803 13.3330 13.3330 14.6780 14.6780 14.8269 14.8269 k =-0.3201 0.8345 1.0240 ( 4122 PWs) bands (ev): -50.3104 -50.3104 -50.3104 -50.3104 -24.6607 -24.6607 -24.6602 -24.6602 -17.0095 -17.0095 -17.0091 -17.0091 -16.9505 -16.9505 -16.9496 -16.9496 2.5985 2.5985 2.6223 2.6223 3.2754 3.2754 3.3130 3.3130 6.6622 6.6622 6.6693 6.6693 8.4121 8.4121 8.4923 8.4923 8.7356 8.7356 8.7891 8.7891 9.4649 9.4649 9.5389 9.5389 13.2897 13.2897 13.3455 13.3455 14.6552 14.6552 14.7698 14.7698 k =-0.3261 0.8109 1.0240 ( 4110 PWs) bands (ev): -50.3104 -50.3104 -50.3104 -50.3104 -24.6603 -24.6603 -24.6599 -24.6599 -17.0082 -17.0082 -17.0078 -17.0078 -16.9503 -16.9503 -16.9494 -16.9494 2.5872 2.5872 2.6115 2.6115 3.2191 3.2191 3.2567 3.2567 6.7505 6.7505 6.7576 6.7576 8.4306 8.4306 8.5222 8.5222 8.7679 8.7679 8.8113 8.8113 9.4398 9.4398 9.5134 9.5134 13.3075 13.3075 13.3669 13.3669 14.6289 14.6289 14.7050 14.7050 k =-0.3321 0.7873 1.0240 ( 4098 PWs) bands (ev): -50.3104 -50.3104 -50.3104 -50.3104 -24.6599 -24.6599 -24.6595 -24.6595 -17.0069 -17.0069 -17.0064 -17.0064 -16.9500 -16.9500 -16.9491 -16.9491 2.5755 2.5755 2.6000 2.6000 3.1623 3.1623 3.1996 3.1996 6.8422 6.8422 6.8497 6.8497 8.4473 8.4473 8.5484 8.5484 8.8023 8.8023 8.8362 8.8362 9.4166 9.4166 9.4882 9.4882 13.3330 13.3330 13.3966 13.3966 14.5978 14.5978 14.6344 14.6344 k =-0.3381 0.7638 1.0240 ( 4106 PWs) bands (ev): -50.3105 -50.3105 -50.3105 -50.3105 -24.6597 -24.6597 -24.6592 -24.6592 -17.0057 -17.0057 -17.0052 -17.0052 -16.9498 -16.9498 -16.9488 -16.9488 2.5635 2.5635 2.5880 2.5880 3.1057 3.1057 3.1422 3.1422 6.9364 6.9364 6.9447 6.9447 8.4624 8.4624 8.5705 8.5705 8.8380 8.8380 8.8634 8.8634 9.3971 9.3971 9.4647 9.4647 13.3655 13.3655 13.4337 13.4337 14.5591 14.5591 14.5599 14.5599 k =-0.3441 0.7402 1.0240 ( 4106 PWs) bands (ev): -50.3106 -50.3106 -50.3106 -50.3106 -24.6594 -24.6594 -24.6589 -24.6589 -17.0044 -17.0044 -17.0039 -17.0039 -16.9494 -16.9494 -16.9484 -16.9484 2.5513 2.5513 2.5753 2.5753 3.0495 3.0495 3.0848 3.0848 7.0322 7.0322 7.0418 7.0418 8.4763 8.4763 8.5882 8.5882 8.8736 8.8736 8.8917 8.8917 9.3835 9.3835 9.4447 9.4447 13.4041 13.4041 13.4773 13.4773 14.4802 14.4802 14.5134 14.5134 k =-0.3501 0.7166 1.0240 ( 4114 PWs) bands (ev): -50.3106 -50.3106 -50.3106 -50.3106 -24.6591 -24.6591 -24.6586 -24.6586 -17.0033 -17.0033 -17.0027 -17.0027 -16.9490 -16.9490 -16.9479 -16.9479 2.5387 2.5387 2.5621 2.5621 2.9943 2.9943 3.0279 3.0279 7.1287 7.1287 7.1398 7.1398 8.4894 8.4894 8.6016 8.6016 8.9075 8.9075 8.9195 8.9195 9.3784 9.3784 9.4305 9.4305 13.4477 13.4477 13.5264 13.5264 14.3984 14.3984 14.4574 14.4574 k =-0.3561 0.6930 1.0240 ( 4110 PWs) bands (ev): -50.3107 -50.3107 -50.3107 -50.3107 -24.6587 -24.6587 -24.6582 -24.6582 -17.0020 -17.0020 -17.0015 -17.0015 -16.9485 -16.9485 -16.9473 -16.9473 2.5260 2.5260 2.5484 2.5484 2.9402 2.9402 2.9719 2.9719 7.2249 7.2249 7.2375 7.2375 8.5024 8.5024 8.6112 8.6112 8.9378 8.9378 8.9450 8.9450 9.3841 9.3841 9.4246 9.4246 13.4951 13.4951 13.5797 13.5797 14.3148 14.3148 14.3926 14.3926 k =-0.3621 0.6694 1.0240 ( 4114 PWs) bands (ev): -50.3107 -50.3107 -50.3107 -50.3107 -24.6584 -24.6584 -24.6579 -24.6579 -17.0009 -17.0009 -17.0004 -17.0004 -16.9479 -16.9479 -16.9467 -16.9467 2.5131 2.5131 2.5340 2.5340 2.8878 2.8878 2.9170 2.9170 7.3195 7.3195 7.3337 7.3337 8.5160 8.5160 8.6177 8.6177 8.9624 8.9624 8.9667 8.9667 9.4025 9.4025 9.4296 9.4296 13.5445 13.5445 13.6356 13.6356 14.2305 14.2305 14.3211 14.3211 k =-0.3681 0.6459 1.0240 ( 4106 PWs) bands (ev): -50.3108 -50.3108 -50.3108 -50.3108 -24.6580 -24.6580 -24.6574 -24.6574 -16.9997 -16.9997 -16.9992 -16.9992 -16.9472 -16.9472 -16.9460 -16.9460 2.5000 2.5000 2.5190 2.5190 2.8372 2.8372 2.8635 2.8635 7.4113 7.4113 7.4267 7.4267 8.5313 8.5313 8.6218 8.6218 8.9803 8.9803 8.9848 8.9848 9.4342 9.4342 9.4473 9.4473 13.5931 13.5931 13.6917 13.6917 14.1477 14.1477 14.2460 14.2460 k =-0.3741 0.6223 1.0240 ( 4110 PWs) bands (ev): -50.3109 -50.3109 -50.3109 -50.3109 -24.6576 -24.6576 -24.6571 -24.6571 -16.9987 -16.9987 -16.9982 -16.9982 -16.9464 -16.9464 -16.9452 -16.9452 2.4866 2.4866 2.5033 2.5033 2.7889 2.7889 2.8118 2.8118 7.4987 7.4987 7.5147 7.5147 8.5493 8.5493 8.6249 8.6249 8.9914 8.9914 9.0002 9.0002 9.4782 9.4782 9.4784 9.4784 13.6358 13.6358 13.7437 13.7437 14.0711 14.0711 14.1721 14.1721 k =-0.3801 0.5987 1.0240 ( 4106 PWs) bands (ev): -50.3109 -50.3109 -50.3109 -50.3109 -24.6573 -24.6573 -24.6567 -24.6567 -16.9977 -16.9977 -16.9973 -16.9973 -16.9455 -16.9455 -16.9442 -16.9442 2.4730 2.4730 2.4866 2.4866 2.7433 2.7433 2.7622 2.7622 7.5799 7.5799 7.5956 7.5956 8.5717 8.5717 8.6282 8.6282 8.9975 8.9975 9.0150 9.0150 9.5211 9.5211 9.5334 9.5334 13.6618 13.6618 13.7819 13.7819 14.0108 14.0108 14.1091 14.1091 k =-0.3861 0.5751 1.0240 ( 4102 PWs) bands (ev): -50.3110 -50.3110 -50.3110 -50.3110 -24.6569 -24.6569 -24.6563 -24.6563 -16.9969 -16.9969 -16.9965 -16.9965 -16.9446 -16.9446 -16.9432 -16.9432 2.4590 2.4590 2.4689 2.4689 2.7006 2.7006 2.7149 2.7149 7.6529 7.6529 7.6672 7.6672 8.5997 8.5997 8.6335 8.6335 9.0010 9.0010 9.0311 9.0311 9.5744 9.5744 9.5975 9.5975 13.6537 13.6537 13.7870 13.7870 13.9836 13.9836 14.0765 14.0765 k =-0.3921 0.5516 1.0240 ( 4106 PWs) bands (ev): -50.3110 -50.3110 -50.3110 -50.3110 -24.6565 -24.6565 -24.6560 -24.6560 -16.9961 -16.9961 -16.9957 -16.9957 -16.9436 -16.9436 -16.9422 -16.9422 2.4445 2.4445 2.4500 2.4500 2.6613 2.6613 2.6703 2.6703 7.7159 7.7159 7.7276 7.7276 8.6341 8.6341 8.6423 8.6423 9.0046 9.0046 9.0502 9.0502 9.6362 9.6362 9.6691 9.6691 13.6040 13.6040 13.7449 13.7449 13.9965 13.9965 14.0881 14.0881 k =-0.3981 0.5280 1.0240 ( 4102 PWs) bands (ev): -50.3111 -50.3111 -50.3111 -50.3111 -24.6562 -24.6562 -24.6556 -24.6556 -16.9954 -16.9954 -16.9951 -16.9951 -16.9424 -16.9424 -16.9411 -16.9411 2.4292 2.4292 2.4296 2.4296 2.6256 2.6256 2.6289 2.6289 7.7674 7.7674 7.7756 7.7756 8.6554 8.6554 8.6746 8.6746 9.0112 9.0112 9.0737 9.0737 9.7051 9.7051 9.7472 9.7472 13.5260 13.5260 13.6696 13.6696 14.0355 14.0355 14.1294 14.1294 k =-0.4041 0.5044 1.0240 ( 4098 PWs) bands (ev): -50.3112 -50.3112 -50.3112 -50.3112 -24.6558 -24.6558 -24.6553 -24.6553 -16.9948 -16.9948 -16.9945 -16.9945 -16.9412 -16.9412 -16.9399 -16.9399 2.4078 2.4078 2.4127 2.4127 2.5911 2.5911 2.5939 2.5939 7.8066 7.8066 7.8109 7.8109 8.6730 8.6730 8.7189 8.7189 9.0240 9.0240 9.1029 9.1029 9.7797 9.7797 9.8309 9.8309 13.4333 13.4333 13.5784 13.5784 14.0865 14.0865 14.1830 14.1830 k =-0.4101 0.4808 1.0240 ( 4098 PWs) bands (ev): -50.3112 -50.3112 -50.3112 -50.3112 -24.6554 -24.6554 -24.6550 -24.6550 -16.9943 -16.9943 -16.9940 -16.9940 -16.9400 -16.9400 -16.9387 -16.9387 2.3847 2.3847 2.3949 2.3949 2.5573 2.5573 2.5660 2.5660 7.8337 7.8337 7.8344 7.8344 8.6942 8.6942 8.7626 8.7626 9.0472 9.0472 9.1386 9.1386 9.8595 9.8595 9.9196 9.9196 13.3325 13.3325 13.4789 13.4789 14.1422 14.1422 14.2406 14.2406 k =-0.4161 0.4572 1.0240 ( 4094 PWs) bands (ev): -50.3113 -50.3113 -50.3113 -50.3113 -24.6551 -24.6551 -24.6546 -24.6546 -16.9938 -16.9938 -16.9936 -16.9936 -16.9388 -16.9388 -16.9375 -16.9375 2.3607 2.3607 2.3755 2.3755 2.5279 2.5279 2.5418 2.5418 7.8477 7.8477 7.8499 7.8499 8.7174 8.7174 8.8001 8.8001 9.0845 9.0845 9.1813 9.1813 9.9438 9.9438 10.0128 10.0128 13.2269 13.2269 13.3746 13.3746 14.1988 14.1988 14.2985 14.2985 k =-0.4221 0.4337 1.0240 ( 4094 PWs) bands (ev): -50.3113 -50.3113 -50.3113 -50.3113 -24.6548 -24.6548 -24.6543 -24.6543 -16.9935 -16.9935 -16.9933 -16.9933 -16.9375 -16.9375 -16.9363 -16.9363 2.3362 2.3362 2.3544 2.3544 2.5031 2.5031 2.5209 2.5209 7.8529 7.8529 7.8571 7.8571 8.7408 8.7408 8.8282 8.8282 9.1371 9.1371 9.2308 9.2308 10.0324 10.0324 10.1103 10.1103 13.1177 13.1177 13.2668 13.2668 14.2541 14.2541 14.3544 14.3544 k =-0.4281 0.4101 1.0240 ( 4094 PWs) bands (ev): -50.3114 -50.3114 -50.3114 -50.3114 -24.6545 -24.6545 -24.6540 -24.6540 -16.9932 -16.9932 -16.9930 -16.9930 -16.9363 -16.9363 -16.9351 -16.9351 2.3118 2.3118 2.3321 2.3321 2.4825 2.4825 2.5027 2.5027 7.8520 7.8520 7.8572 7.8572 8.7630 8.7630 8.8473 8.8473 9.2022 9.2022 9.2862 9.2862 10.1248 10.1248 10.2116 10.2116 13.0059 13.0059 13.1564 13.1564 14.3062 14.3062 14.4063 14.4063 k =-0.4340 0.3865 1.0240 ( 4082 PWs) bands (ev): -50.3114 -50.3114 -50.3114 -50.3114 -24.6541 -24.6541 -24.6537 -24.6537 -16.9929 -16.9929 -16.9928 -16.9928 -16.9350 -16.9350 -16.9339 -16.9339 2.2881 2.2881 2.3092 2.3092 2.4657 2.4657 2.4870 2.4870 7.8466 7.8466 7.8521 7.8521 8.7831 8.7831 8.8600 8.8600 9.2751 9.2751 9.3461 9.3461 10.2210 10.2210 10.3166 10.3166 12.8920 12.8920 13.0439 13.0439 14.3533 14.3533 14.4518 14.4518 k =-0.4400 0.3629 1.0240 ( 4092 PWs) bands (ev): -50.3115 -50.3115 -50.3115 -50.3115 -24.6539 -24.6539 -24.6535 -24.6535 -16.9928 -16.9928 -16.9927 -16.9927 -16.9339 -16.9339 -16.9328 -16.9328 2.2655 2.2655 2.2863 2.2863 2.4519 2.4519 2.4732 2.4732 7.8382 7.8382 7.8436 7.8436 8.8008 8.8008 8.8685 8.8685 9.3511 9.3511 9.4085 9.4085 10.3207 10.3207 10.4248 10.4248 12.7764 12.7764 12.9296 12.9296 14.3931 14.3931 14.4872 14.4872 k =-0.4460 0.3393 1.0240 ( 4096 PWs) bands (ev): -50.3115 -50.3115 -50.3115 -50.3115 -24.6537 -24.6537 -24.6533 -24.6533 -16.9927 -16.9927 -16.9926 -16.9926 -16.9328 -16.9328 -16.9318 -16.9318 2.2444 2.2444 2.2643 2.2643 2.4406 2.4406 2.4611 2.4611 7.8281 7.8281 7.8331 7.8331 8.8162 8.8162 8.8744 8.8744 9.4271 9.4271 9.4715 9.4715 10.4238 10.4238 10.5358 10.5358 12.6595 12.6595 12.8139 12.8139 14.4233 14.4233 14.5079 14.5079 k =-0.4520 0.3158 1.0240 ( 4092 PWs) bands (ev): -50.3115 -50.3115 -50.3115 -50.3115 -24.6534 -24.6534 -24.6531 -24.6531 -16.9925 -16.9925 -16.9925 -16.9925 -16.9317 -16.9317 -16.9308 -16.9308 2.2252 2.2252 2.2435 2.2435 2.4314 2.4314 2.4505 2.4505 7.8171 7.8171 7.8215 7.8215 8.8294 8.8294 8.8787 8.8787 9.5002 9.5002 9.5333 9.5333 10.5300 10.5300 10.6493 10.6493 12.5417 12.5417 12.6969 12.6969 14.4417 14.4417 14.5109 14.5109 k =-0.4580 0.2922 1.0240 ( 4100 PWs) bands (ev): -50.3116 -50.3116 -50.3116 -50.3116 -24.6532 -24.6532 -24.6530 -24.6530 -16.9925 -16.9925 -16.9924 -16.9924 -16.9308 -16.9308 -16.9300 -16.9300 2.2080 2.2080 2.2244 2.2244 2.4239 2.4239 2.4412 2.4412 7.8060 7.8060 7.8099 7.8099 8.8407 8.8407 8.8817 8.8817 9.5686 9.5686 9.5922 9.5922 10.6389 10.6389 10.7646 10.7646 12.4234 12.4234 12.5790 12.5790 14.4474 14.4474 14.4986 14.4986 k =-0.4640 0.2686 1.0240 ( 4100 PWs) bands (ev): -50.3116 -50.3116 -50.3116 -50.3116 -24.6531 -24.6531 -24.6528 -24.6528 -16.9924 -16.9924 -16.9924 -16.9924 -16.9299 -16.9299 -16.9292 -16.9292 2.1930 2.1930 2.2073 2.2073 2.4179 2.4179 2.4331 2.4331 7.7955 7.7955 7.7987 7.7987 8.8503 8.8503 8.8839 8.8839 9.6306 9.6306 9.6466 9.6466 10.7501 10.7501 10.8808 10.8808 12.3054 12.3054 12.4605 12.4605 14.4421 14.4421 14.4767 14.4767 k =-0.4700 0.2450 1.0240 ( 4108 PWs) bands (ev): -50.3116 -50.3116 -50.3116 -50.3116 -24.6529 -24.6529 -24.6527 -24.6527 -16.9925 -16.9925 -16.9924 -16.9924 -16.9292 -16.9292 -16.9286 -16.9286 2.1803 2.1803 2.1924 2.1924 2.4132 2.4132 2.4261 2.4261 7.7860 7.7860 7.7885 7.7885 8.8584 8.8584 8.8853 8.8853 9.6850 9.6850 9.6952 9.6952 10.8628 10.8628 10.9967 10.9967 12.1886 12.1886 12.3420 12.3420 14.4292 14.4292 14.4510 14.4510 k =-0.4760 0.2215 1.0240 ( 4116 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6529 -24.6529 -24.6527 -24.6527 -16.9925 -16.9925 -16.9924 -16.9924 -16.9286 -16.9286 -16.9280 -16.9280 2.1700 2.1700 2.1798 2.1798 2.4097 2.4097 2.4202 2.4202 7.7777 7.7777 7.7797 7.7797 8.8652 8.8652 8.8861 8.8861 9.7307 9.7307 9.7368 9.7368 10.9759 10.9759 11.1103 11.1103 12.0749 12.0749 12.2243 12.2243 14.4128 14.4128 14.4258 14.4258 k =-0.4820 0.1979 1.0240 ( 4116 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6527 -24.6527 -24.6526 -24.6526 -16.9925 -16.9925 -16.9924 -16.9924 -16.9280 -16.9280 -16.9276 -16.9276 2.1622 2.1622 2.1696 2.1696 2.4074 2.4074 2.4153 2.4153 7.7711 7.7711 7.7725 7.7725 8.8709 8.8709 8.8861 8.8861 9.7670 9.7670 9.7703 9.7703 11.0876 11.0876 11.2175 11.2175 11.9682 11.9682 12.1089 12.1089 14.3965 14.3965 14.4037 14.4037 k =-0.4880 0.1743 1.0240 ( 4112 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6526 -24.6526 -24.6526 -24.6526 -16.9924 -16.9924 -16.9924 -16.9924 -16.9276 -16.9276 -16.9273 -16.9273 2.1570 2.1570 2.1620 2.1620 2.4061 2.4061 2.4114 2.4114 7.7663 7.7663 7.7673 7.7673 8.8756 8.8756 8.8855 8.8855 9.7934 9.7934 9.7949 9.7949 11.1947 11.1947 11.3090 11.3090 11.8776 11.8776 11.9990 11.9990 14.3830 14.3830 14.3867 14.3867 k =-0.4940 0.1507 1.0240 ( 4108 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6526 -24.6526 -24.6525 -24.6525 -16.9924 -16.9924 -16.9924 -16.9924 -16.9273 -16.9273 -16.9272 -16.9272 2.1544 2.1544 2.1569 2.1569 2.4059 2.4059 2.4086 2.4086 7.7635 7.7635 7.7639 7.7639 8.8793 8.8793 8.8842 8.8842 9.8094 9.8094 9.8099 9.8099 11.2897 11.2897 11.3641 11.3641 11.8238 11.8238 11.9016 11.9016 14.3744 14.3744 14.3759 14.3759 k =-0.5000 0.1271 1.0240 ( 4108 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9924 -16.9924 -16.9924 -16.9924 -16.9272 -16.9272 -16.9272 -16.9272 2.1543 2.1543 2.1543 2.1543 2.4067 2.4067 2.4067 2.4067 7.7627 7.7627 7.7627 7.7627 8.8821 8.8821 8.8821 8.8821 9.8149 9.8149 9.8149 9.8149 11.3557 11.3557 11.3557 11.3557 11.8338 11.8338 11.8338 11.8338 14.3718 14.3718 14.3718 14.3718 k =-0.5000 0.1271 1.0240 ( 4108 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9924 -16.9924 -16.9924 -16.9924 -16.9272 -16.9272 -16.9272 -16.9272 2.1543 2.1543 2.1543 2.1543 2.4067 2.4067 2.4067 2.4067 7.7627 7.7627 7.7627 7.7627 8.8821 8.8821 8.8821 8.8821 9.8149 9.8149 9.8149 9.8149 11.3557 11.3557 11.3557 11.3557 11.8338 11.8338 11.8338 11.8338 14.3718 14.3718 14.3718 14.3718 k =-0.5000 0.1271 0.9996 ( 4104 PWs) bands (ev): -50.3117 -50.3117 -50.3116 -50.3116 -24.6527 -24.6527 -24.6523 -24.6523 -16.9929 -16.9929 -16.9917 -16.9917 -16.9277 -16.9277 -16.9267 -16.9267 2.0400 2.0400 2.2660 2.2660 2.3023 2.3023 2.5172 2.5172 7.6663 7.6663 7.8599 7.8599 8.8120 8.8120 8.9550 8.9550 9.7897 9.7897 9.8429 9.8429 11.2632 11.2632 11.4416 11.4416 11.7446 11.7446 11.9316 11.9316 14.3573 14.3573 14.3754 14.3754 k =-0.5000 0.1271 0.9752 ( 4108 PWs) bands (ev): -50.3118 -50.3118 -50.3116 -50.3116 -24.6529 -24.6529 -24.6520 -24.6520 -16.9932 -16.9932 -16.9908 -16.9908 -16.9282 -16.9282 -16.9262 -16.9262 1.9279 1.9279 2.1869 2.1869 2.3923 2.3923 2.6288 2.6288 7.5718 7.5718 7.9564 7.9564 8.7461 8.7461 9.0296 9.0296 9.7673 9.7673 9.8739 9.8739 11.1692 11.1692 11.4985 11.4985 11.6861 11.6861 12.0334 12.0334 14.3344 14.3344 14.3651 14.3651 k =-0.5000 0.1271 0.9508 ( 4104 PWs) bands (ev): -50.3118 -50.3118 -50.3116 -50.3116 -24.6531 -24.6531 -24.6516 -24.6516 -16.9934 -16.9934 -16.9898 -16.9898 -16.9287 -16.9287 -16.9258 -16.9258 1.8182 1.8182 2.0802 2.0802 2.5135 2.5135 2.7410 2.7410 7.4799 7.4799 8.0489 8.0489 8.6873 8.6873 9.1055 9.1055 9.7478 9.7478 9.9079 9.9079 11.0750 11.0750 11.4730 11.4730 11.7121 11.7121 12.1375 12.1375 14.3039 14.3039 14.3398 14.3398 k =-0.5000 0.1271 0.9264 ( 4102 PWs) bands (ev): -50.3119 -50.3119 -50.3115 -50.3115 -24.6532 -24.6532 -24.6513 -24.6513 -16.9934 -16.9934 -16.9885 -16.9885 -16.9293 -16.9293 -16.9253 -16.9253 1.7109 1.7109 1.9748 1.9748 2.6373 2.6373 2.8536 2.8536 7.3914 7.3914 8.1315 8.1315 8.6415 8.6415 9.1822 9.1822 9.7311 9.7311 9.9448 9.9448 10.9814 10.9814 11.3962 11.3962 11.7907 11.7907 12.2436 12.2436 14.2629 14.2629 14.3032 14.3032 k =-0.5000 0.1271 0.9021 ( 4102 PWs) bands (ev): -50.3120 -50.3120 -50.3115 -50.3115 -24.6533 -24.6533 -24.6509 -24.6509 -16.9932 -16.9932 -16.9871 -16.9871 -16.9298 -16.9298 -16.9250 -16.9250 1.6061 1.6061 1.8710 1.8710 2.7634 2.7634 2.9662 2.9662 7.3066 7.3066 8.1924 8.1924 8.6201 8.6201 9.2594 9.2594 9.7172 9.7172 9.9847 9.9847 10.8887 10.8887 11.3089 11.3089 11.8814 11.8814 12.3511 12.3511 14.2052 14.2052 14.2629 14.2629 k =-0.5000 0.1271 0.8777 ( 4102 PWs) bands (ev): -50.3120 -50.3120 -50.3115 -50.3115 -24.6533 -24.6533 -24.6505 -24.6505 -16.9929 -16.9929 -16.9856 -16.9856 -16.9304 -16.9304 -16.9246 -16.9246 1.5038 1.5038 1.7690 1.7690 2.8918 2.8918 3.0785 3.0785 7.2262 7.2262 8.2170 8.2170 8.6377 8.6377 9.3367 9.3367 9.7061 9.7061 10.0276 10.0276 10.7974 10.7974 11.2198 11.2198 11.9749 11.9749 12.4600 12.4600 14.1313 14.1313 14.2200 14.2200 k =-0.5000 0.1271 0.8533 ( 4090 PWs) bands (ev): -50.3121 -50.3121 -50.3115 -50.3115 -24.6533 -24.6533 -24.6500 -24.6500 -16.9923 -16.9923 -16.9838 -16.9838 -16.9309 -16.9309 -16.9242 -16.9242 1.4040 1.4040 1.6689 1.6689 3.0222 3.0222 3.1901 3.1901 7.1507 7.1507 8.2033 8.2033 8.6959 8.6959 9.4135 9.4135 9.6981 9.6981 10.0735 10.0735 10.7076 10.7076 11.1314 11.1314 12.0688 12.0688 12.5700 12.5700 14.0463 14.0463 14.1696 14.1696 k =-0.5000 0.1271 0.8289 ( 4094 PWs) bands (ev): -50.3122 -50.3122 -50.3115 -50.3115 -24.6533 -24.6533 -24.6496 -24.6496 -16.9917 -16.9917 -16.9820 -16.9820 -16.9314 -16.9314 -16.9238 -16.9238 1.3067 1.3067 1.5707 1.5707 3.1547 3.1547 3.3005 3.3005 7.0807 7.0807 8.1647 8.1647 8.7811 8.7811 9.4891 9.4891 9.6937 9.6937 10.1223 10.1223 10.6196 10.6196 11.0445 11.0445 12.1620 12.1620 12.6810 12.6810 13.9543 13.9543 14.1075 14.1075 k =-0.5000 0.1271 0.8045 ( 4090 PWs) bands (ev): -50.3122 -50.3122 -50.3115 -50.3115 -24.6533 -24.6533 -24.6491 -24.6491 -16.9910 -16.9910 -16.9800 -16.9800 -16.9319 -16.9319 -16.9235 -16.9235 1.2121 1.2121 1.4747 1.4747 3.2890 3.2890 3.4092 3.4092 7.0167 7.0167 8.1137 8.1137 8.8803 8.8803 9.5614 9.5614 9.6946 9.6946 10.1739 10.1739 10.5336 10.5336 10.9598 10.9598 12.2537 12.2537 12.7928 12.7928 13.8580 13.8580 14.0340 14.0340 k =-0.5000 0.1271 0.7802 ( 4084 PWs) bands (ev): -50.3123 -50.3123 -50.3115 -50.3115 -24.6532 -24.6532 -24.6485 -24.6485 -16.9900 -16.9900 -16.9778 -16.9778 -16.9324 -16.9324 -16.9232 -16.9232 1.1200 1.1200 1.3808 1.3808 3.4249 3.4249 3.5160 3.5160 6.9596 6.9596 8.0569 8.0569 8.9866 8.9866 9.6226 9.6226 9.7082 9.7082 10.2274 10.2274 10.4507 10.4507 10.8778 10.8778 12.3434 12.3434 12.9053 12.9053 13.7593 13.7593 13.9530 13.9530 k =-0.5000 0.1271 0.7558 ( 4082 PWs) bands (ev): -50.3124 -50.3124 -50.3115 -50.3115 -24.6531 -24.6531 -24.6480 -24.6480 -16.9890 -16.9890 -16.9755 -16.9755 -16.9329 -16.9329 -16.9229 -16.9229 1.0305 1.0305 1.2891 1.2891 3.5612 3.5612 3.6212 3.6212 6.9099 6.9099 7.9976 7.9976 9.0960 9.0960 9.6558 9.6558 9.7512 9.7512 10.2784 10.2784 10.3754 10.3754 10.7990 10.7990 12.4305 12.4305 13.0181 13.0181 13.6596 13.6596 13.8683 13.8683 k =-0.5000 0.1271 0.7314 ( 4090 PWs) bands (ev): -50.3125 -50.3125 -50.3115 -50.3115 -24.6531 -24.6531 -24.6475 -24.6475 -16.9881 -16.9881 -16.9732 -16.9732 -16.9333 -16.9333 -16.9226 -16.9226 0.9436 0.9436 1.1998 1.1998 3.6917 3.6917 3.7301 3.7301 6.8686 6.8686 7.9374 7.9374 9.2061 9.2061 9.6689 9.6689 9.8152 9.8152 10.2699 10.2699 10.3646 10.3646 10.7243 10.7243 12.5144 12.5144 13.1310 13.1310 13.5600 13.5600 13.7827 13.7827 k =-0.5000 0.1271 0.7070 ( 4086 PWs) bands (ev): -50.3126 -50.3126 -50.3115 -50.3115 -24.6530 -24.6530 -24.6470 -24.6470 -16.9869 -16.9869 -16.9708 -16.9708 -16.9336 -16.9336 -16.9223 -16.9223 0.8594 0.8594 1.1128 1.1128 3.7997 3.7997 3.8585 3.8585 6.8365 6.8365 7.8772 7.8772 9.3147 9.3147 9.6780 9.6780 9.8837 9.8837 10.1998 10.1998 10.4202 10.4202 10.6551 10.6551 12.5948 12.5948 13.2430 13.2430 13.4619 13.4619 13.6981 13.6981 k =-0.5000 0.1271 0.6826 ( 4080 PWs) bands (ev): -50.3127 -50.3127 -50.3115 -50.3115 -24.6528 -24.6528 -24.6464 -24.6464 -16.9857 -16.9857 -16.9683 -16.9683 -16.9339 -16.9339 -16.9220 -16.9220 0.7779 0.7779 1.0283 1.0283 3.8913 3.8913 3.9994 3.9994 6.8144 6.8144 7.8176 7.8176 9.4194 9.4194 9.6880 9.6880 9.9508 9.9508 10.1272 10.1272 10.4806 10.4806 10.5961 10.5961 12.6708 12.6708 13.3354 13.3354 13.3844 13.3844 13.6163 13.6163 k =-0.5000 0.1271 0.6583 ( 4082 PWs) bands (ev): -50.3128 -50.3128 -50.3115 -50.3115 -24.6526 -24.6526 -24.6459 -24.6459 -16.9845 -16.9845 -16.9657 -16.9657 -16.9341 -16.9341 -16.9217 -16.9217 0.6990 0.6990 0.9462 0.9462 3.9740 3.9740 4.1441 4.1441 6.8033 6.8033 7.7589 7.7589 9.5161 9.5161 9.7014 9.7014 10.0050 10.0050 10.0672 10.0672 10.5060 10.5060 10.5841 10.5841 12.7413 12.7413 13.2625 13.2625 13.4714 13.4714 13.5408 13.5408 k =-0.5000 0.1271 0.6339 ( 4078 PWs) bands (ev): -50.3129 -50.3129 -50.3116 -50.3116 -24.6524 -24.6524 -24.6453 -24.6453 -16.9833 -16.9833 -16.9631 -16.9631 -16.9342 -16.9342 -16.9214 -16.9214 0.6228 0.6228 0.8667 0.8667 4.0487 4.0487 4.2911 4.2911 6.8040 6.8040 7.7014 7.7014 9.5982 9.5982 9.7216 9.7216 9.9714 9.9714 10.0945 10.0945 10.4731 10.4731 10.6450 10.6450 12.8043 12.8043 13.1727 13.1727 13.4606 13.4606 13.5884 13.5884 k =-0.5000 0.1271 0.6095 ( 4074 PWs) bands (ev): -50.3130 -50.3130 -50.3116 -50.3116 -24.6522 -24.6522 -24.6447 -24.6447 -16.9821 -16.9821 -16.9605 -16.9605 -16.9342 -16.9342 -16.9211 -16.9211 0.5494 0.5494 0.7898 0.7898 4.1149 4.1149 4.4398 4.4398 6.8171 6.8171 7.6453 7.6453 9.6553 9.6553 9.7533 9.7533 9.9069 9.9069 10.1521 10.1521 10.4449 10.4449 10.7201 10.7201 12.8532 12.8532 13.0927 13.0927 13.3936 13.3936 13.6975 13.6975 k =-0.5000 0.1271 0.5851 ( 4080 PWs) bands (ev): -50.3131 -50.3131 -50.3116 -50.3116 -24.6520 -24.6520 -24.6441 -24.6441 -16.9810 -16.9810 -16.9580 -16.9580 -16.9341 -16.9341 -16.9207 -16.9207 0.4786 0.4786 0.7155 0.7155 4.1724 4.1724 4.5900 4.5900 6.8430 6.8430 7.5908 7.5908 9.6879 9.6879 9.7854 9.7854 9.8474 9.8474 10.2077 10.2077 10.4365 10.4365 10.8003 10.8003 12.8659 12.8659 13.0452 13.0452 13.3323 13.3323 13.8061 13.8061 k =-0.5000 0.1271 0.5607 ( 4096 PWs) bands (ev): -50.3132 -50.3132 -50.3117 -50.3117 -24.6519 -24.6519 -24.6436 -24.6436 -16.9800 -16.9800 -16.9555 -16.9555 -16.9340 -16.9340 -16.9204 -16.9204 0.4106 0.4106 0.6439 0.6439 4.2208 4.2208 4.7414 4.7414 6.8821 6.8821 7.5379 7.5379 9.7089 9.7089 9.7648 9.7648 9.8296 9.8296 10.2592 10.2592 10.4536 10.4536 10.8843 10.8843 12.8195 12.8195 13.0528 13.0528 13.2783 13.2783 13.9124 13.9124 k =-0.5000 0.1271 0.5364 ( 4092 PWs) bands (ev): -50.3133 -50.3133 -50.3117 -50.3117 -24.6517 -24.6517 -24.6430 -24.6430 -16.9789 -16.9789 -16.9531 -16.9531 -16.9336 -16.9336 -16.9199 -16.9199 0.3454 0.3454 0.5750 0.5750 4.2603 4.2603 4.8939 4.8939 6.9342 6.9342 7.4870 7.4870 9.7064 9.7064 9.7275 9.7275 9.8294 9.8294 10.3062 10.3062 10.4954 10.4954 10.9719 10.9719 12.7426 12.7426 13.0863 13.0863 13.2333 13.2333 14.0152 14.0152 k =-0.5000 0.1271 0.5120 ( 4094 PWs) bands (ev): -50.3134 -50.3134 -50.3117 -50.3117 -24.6515 -24.6515 -24.6424 -24.6424 -16.9780 -16.9780 -16.9507 -16.9507 -16.9331 -16.9331 -16.9193 -16.9193 0.2829 0.2829 0.5089 0.5089 4.2912 4.2912 5.0472 5.0472 6.9989 6.9989 7.4381 7.4381 9.6488 9.6488 9.7419 9.7419 9.8149 9.8149 10.3486 10.3486 10.5559 10.5559 11.0628 11.0628 12.6576 12.6576 13.1201 13.1201 13.2012 13.2012 14.1057 14.1057 k =-0.5000 0.1271 0.4876 ( 4090 PWs) bands (ev): -50.3135 -50.3135 -50.3118 -50.3118 -24.6512 -24.6512 -24.6418 -24.6418 -16.9772 -16.9772 -16.9485 -16.9485 -16.9325 -16.9325 -16.9186 -16.9186 0.2233 0.2233 0.4456 0.4456 4.3140 4.3140 5.2011 5.2011 7.0752 7.0752 7.3916 7.3916 9.5924 9.5924 9.7519 9.7519 9.7932 9.7932 10.3854 10.3854 10.6274 10.6274 11.1570 11.1570 12.5707 12.5707 13.1337 13.1337 13.1970 13.1970 14.0987 14.0987 k =-0.5000 0.1271 0.4632 ( 4086 PWs) bands (ev): -50.3136 -50.3136 -50.3118 -50.3118 -24.6509 -24.6509 -24.6412 -24.6412 -16.9764 -16.9764 -16.9464 -16.9464 -16.9317 -16.9317 -16.9177 -16.9177 0.1664 0.1664 0.3852 0.3852 4.3296 4.3296 5.3553 5.3553 7.1616 7.1616 7.3484 7.3484 9.5383 9.5383 9.7379 9.7379 9.7884 9.7884 10.4157 10.4157 10.7036 10.7036 11.2544 11.2544 12.4840 12.4840 13.1243 13.1243 13.2218 13.2218 14.0821 14.0821 k =-0.5000 0.1271 0.4388 ( 4092 PWs) bands (ev): -50.3137 -50.3137 -50.3119 -50.3119 -24.6508 -24.6508 -24.6407 -24.6407 -16.9759 -16.9759 -16.9446 -16.9446 -16.9308 -16.9308 -16.9168 -16.9168 0.1124 0.1124 0.3276 0.3276 4.3387 4.3387 5.5095 5.5095 7.2490 7.2490 7.3166 7.3166 9.4866 9.4866 9.7030 9.7030 9.8008 9.8008 10.4390 10.4390 10.7797 10.7797 11.3550 11.3550 12.3986 12.3986 13.1150 13.1150 13.2523 13.2523 14.0643 14.0643 k =-0.5000 0.1271 0.4145 ( 4096 PWs) bands (ev): -50.3138 -50.3138 -50.3119 -50.3119 -24.6505 -24.6505 -24.6402 -24.6402 -16.9754 -16.9754 -16.9429 -16.9429 -16.9299 -16.9299 -16.9157 -16.9157 0.0611 0.0611 0.2729 0.2729 4.3423 4.3423 5.6633 5.6633 7.2543 7.2543 7.3785 7.3785 9.4375 9.4375 9.6636 9.6636 9.8165 9.8165 10.4549 10.4549 10.8519 10.8519 11.4586 11.4586 12.3156 12.3156 13.1125 13.1125 13.2816 13.2816 14.0466 14.0466 k =-0.5000 0.1271 0.3901 ( 4096 PWs) bands (ev): -50.3139 -50.3139 -50.3119 -50.3119 -24.6503 -24.6503 -24.6397 -24.6397 -16.9750 -16.9750 -16.9414 -16.9414 -16.9289 -16.9289 -16.9145 -16.9145 0.0128 0.0128 0.2212 0.2212 4.3414 4.3414 5.8161 5.8161 7.2206 7.2206 7.4901 7.4901 9.3911 9.3911 9.6233 9.6233 9.8328 9.8328 10.4633 10.4633 10.9169 10.9169 11.5653 11.5653 12.2360 12.2360 13.1176 13.1176 13.3084 13.3084 14.0299 14.0299 k =-0.5000 0.1271 0.3657 ( 4094 PWs) bands (ev): -50.3139 -50.3139 -50.3120 -50.3120 -24.6500 -24.6500 -24.6392 -24.6392 -16.9747 -16.9747 -16.9401 -16.9401 -16.9279 -16.9279 -16.9131 -16.9131 -0.0327 -0.0327 0.1724 0.1724 4.3369 4.3369 5.9675 5.9675 7.1872 7.1872 7.6112 7.6112 9.3473 9.3473 9.5837 9.5837 9.8494 9.8494 10.4642 10.4642 10.9716 10.9716 11.6750 11.6750 12.1615 12.1615 13.1303 13.1303 13.3326 13.3326 14.0154 14.0154 k =-0.5000 0.1271 0.3413 ( 4098 PWs) bands (ev): -50.3140 -50.3140 -50.3120 -50.3120 -24.6498 -24.6498 -24.6388 -24.6388 -16.9745 -16.9745 -16.9390 -16.9390 -16.9268 -16.9268 -16.9116 -16.9116 -0.0754 -0.0754 0.1266 0.1266 4.3295 4.3295 6.1163 6.1163 7.1568 7.1568 7.7386 7.7386 9.3062 9.3062 9.5455 9.5455 9.8658 9.8658 10.4576 10.4576 11.0129 11.0129 11.7874 11.7874 12.0939 12.0939 13.1498 13.1498 13.3545 13.3545 14.0040 14.0040 k =-0.5000 0.1271 0.3169 ( 4092 PWs) bands (ev): -50.3141 -50.3141 -50.3120 -50.3120 -24.6495 -24.6495 -24.6383 -24.6383 -16.9743 -16.9743 -16.9380 -16.9380 -16.9257 -16.9257 -16.9101 -16.9101 -0.1151 -0.1151 0.0839 0.0839 4.3201 4.3201 6.2615 6.2615 7.1304 7.1304 7.8711 7.8711 9.2678 9.2678 9.5093 9.5093 9.8819 9.8819 10.4438 10.4438 11.0380 11.0380 11.9024 11.9024 12.0357 12.0357 13.1752 13.1752 13.3742 13.3742 13.9963 13.9963 k =-0.5000 0.1271 0.2926 ( 4088 PWs) bands (ev): -50.3142 -50.3142 -50.3121 -50.3121 -24.6493 -24.6493 -24.6378 -24.6378 -16.9742 -16.9742 -16.9372 -16.9372 -16.9246 -16.9246 -16.9085 -16.9085 -0.1520 -0.1520 0.0442 0.0442 4.3093 4.3093 6.4009 6.4009 7.1095 7.1095 8.0074 8.0074 9.2322 9.2322 9.4753 9.4753 9.8975 9.8975 10.4228 10.4228 11.0445 11.0445 11.9834 11.9834 12.0253 12.0253 13.2051 13.2051 13.3924 13.3924 13.9929 13.9929 k =-0.5000 0.1271 0.2682 ( 4092 PWs) bands (ev): -50.3142 -50.3142 -50.3121 -50.3121 -24.6491 -24.6491 -24.6374 -24.6374 -16.9742 -16.9742 -16.9365 -16.9365 -16.9235 -16.9235 -16.9069 -16.9069 -0.1860 -0.1860 0.0077 0.0077 4.2977 4.2977 6.5315 6.5315 7.0967 7.0967 8.1467 8.1467 9.1993 9.1993 9.4440 9.4440 9.9125 9.9125 10.3949 10.3949 11.0313 11.0313 11.9508 11.9508 12.1434 12.1434 13.2380 13.2380 13.4095 13.4095 13.9933 13.9933 k =-0.5000 0.1271 0.2438 ( 4092 PWs) bands (ev): -50.3143 -50.3143 -50.3121 -50.3121 -24.6489 -24.6489 -24.6371 -24.6371 -16.9742 -16.9742 -16.9360 -16.9360 -16.9225 -16.9225 -16.9054 -16.9054 -0.2170 -0.2170 -0.0258 -0.0258 4.2857 4.2857 6.6475 6.6475 7.0969 7.0969 8.2880 8.2880 9.1692 9.1692 9.4154 9.4154 9.9267 9.9267 10.3601 10.3601 10.9995 10.9995 11.9273 11.9273 12.2667 12.2667 13.2720 13.2720 13.4265 13.4265 13.9962 13.9962 k =-0.5000 0.1271 0.2194 ( 4092 PWs) bands (ev): -50.3144 -50.3144 -50.3122 -50.3122 -24.6487 -24.6487 -24.6367 -24.6367 -16.9743 -16.9743 -16.9356 -16.9356 -16.9214 -16.9214 -16.9039 -16.9039 -0.2451 -0.2451 -0.0562 -0.0562 4.2738 4.2738 6.7395 6.7395 7.1184 7.1184 8.4303 8.4303 9.1419 9.1419 9.3898 9.3898 9.9400 9.9400 10.3185 10.3185 10.9517 10.9517 11.9135 11.9135 12.3926 12.3926 13.3050 13.3050 13.4443 13.4443 13.9985 13.9985 k =-0.5000 0.1271 0.1950 ( 4100 PWs) bands (ev): -50.3144 -50.3144 -50.3122 -50.3122 -24.6486 -24.6486 -24.6365 -24.6365 -16.9744 -16.9744 -16.9353 -16.9353 -16.9205 -16.9205 -16.9025 -16.9025 -0.2703 -0.2703 -0.0834 -0.0834 4.2623 4.2623 6.7988 6.7988 7.1685 7.1685 8.5729 8.5729 9.1174 9.1174 9.3674 9.3674 9.9523 9.9523 10.2700 10.2700 10.8922 10.8922 11.9070 11.9070 12.5208 12.5208 13.3345 13.3345 13.4643 13.4643 13.9963 13.9963 k =-0.5000 0.1271 0.1707 ( 4098 PWs) bands (ev): -50.3145 -50.3145 -50.3122 -50.3122 -24.6484 -24.6484 -24.6362 -24.6362 -16.9745 -16.9745 -16.9350 -16.9350 -16.9196 -16.9196 -16.9012 -16.9012 -0.2925 -0.2925 -0.1075 -0.1075 4.2515 4.2515 6.8280 6.8280 7.2435 7.2435 8.7149 8.7149 9.0957 9.0957 9.3481 9.3481 9.9634 9.9634 10.2147 10.2147 10.8255 10.8255 11.9051 11.9051 12.6508 12.6508 13.3588 13.3588 13.4871 13.4871 13.9860 13.9860 k =-0.5000 0.1271 0.1463 ( 4106 PWs) bands (ev): -50.3145 -50.3145 -50.3122 -50.3122 -24.6483 -24.6483 -24.6360 -24.6360 -16.9746 -16.9746 -16.9348 -16.9348 -16.9188 -16.9188 -16.9001 -16.9001 -0.3118 -0.3118 -0.1283 -0.1283 4.2417 4.2417 6.8386 6.8386 7.3298 7.3298 8.8553 8.8553 9.0768 9.0768 9.3321 9.3321 9.9733 9.9733 10.1522 10.1522 10.7559 10.7559 11.9059 11.9059 12.7823 12.7823 13.3773 13.3773 13.5121 13.5121 13.9442 13.9442 k =-0.5000 0.1271 0.1219 ( 4098 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6482 -24.6482 -24.6357 -24.6357 -16.9746 -16.9746 -16.9347 -16.9347 -16.9181 -16.9181 -16.8991 -16.8991 -0.3281 -0.3281 -0.1460 -0.1460 4.2332 4.2332 6.8403 6.8403 7.4158 7.4158 8.9932 8.9932 9.0609 9.0609 9.3194 9.3194 9.9817 9.9817 10.0826 10.0826 10.6877 10.6877 11.9079 11.9079 12.9141 12.9141 13.3907 13.3907 13.5373 13.5373 13.8689 13.8689 k =-0.5000 0.1271 0.0975 ( 4088 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6480 -24.6480 -24.6355 -24.6355 -16.9746 -16.9746 -16.9345 -16.9345 -16.9175 -16.9175 -16.8982 -16.8982 -0.3415 -0.3415 -0.1605 -0.1605 4.2259 4.2259 6.8384 6.8384 7.4940 7.4940 9.0474 9.0474 9.1282 9.1282 9.3099 9.3099 9.9875 9.9875 10.0067 10.0067 10.6248 10.6248 11.9103 11.9103 13.0448 13.0448 13.4004 13.4004 13.5605 13.5605 13.7971 13.7971 k =-0.5000 0.1271 0.0731 ( 4088 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6479 -24.6479 -24.6354 -24.6354 -16.9747 -16.9747 -16.9344 -16.9344 -16.9170 -16.9170 -16.8976 -16.8976 -0.3519 -0.3519 -0.1718 -0.1718 4.2202 4.2202 6.8353 6.8353 7.5596 7.5596 9.0372 9.0372 9.2567 9.2567 9.3051 9.3051 9.9199 9.9199 9.9952 9.9952 10.5709 10.5709 11.9124 11.9124 13.1710 13.1710 13.4077 13.4077 13.5797 13.5797 13.7382 13.7382 k =-0.5000 0.1271 0.0488 ( 4070 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6477 -24.6477 -24.6352 -24.6352 -16.9746 -16.9746 -16.9343 -16.9343 -16.9165 -16.9165 -16.8971 -16.8971 -0.3593 -0.3593 -0.1799 -0.1799 4.2160 4.2160 6.8326 6.8326 7.6091 7.6091 9.0298 9.0298 9.2961 9.2961 9.3871 9.3871 9.8277 9.8277 9.9990 9.9990 10.5296 10.5296 11.9140 11.9140 13.2848 13.2848 13.4148 13.4148 13.5939 13.5939 13.6948 13.6948 k =-0.5000 0.1271 0.0244 ( 4068 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6476 -24.6476 -24.6352 -24.6352 -16.9746 -16.9746 -16.9343 -16.9343 -16.9163 -16.9163 -16.8968 -16.8968 -0.3638 -0.3638 -0.1847 -0.1847 4.2135 4.2135 6.8307 6.8307 7.6398 7.6398 9.0254 9.0254 9.2944 9.2944 9.5064 9.5064 9.7280 9.7280 10.0014 10.0014 10.5035 10.5035 11.9151 11.9151 13.3648 13.3648 13.4284 13.4284 13.6034 13.6034 13.6670 13.6670 k =-0.5000 0.1271-0.0000 ( 4076 PWs) bands (ev): -50.3146 -50.3146 -50.3123 -50.3123 -24.6477 -24.6477 -24.6352 -24.6352 -16.9746 -16.9746 -16.9343 -16.9343 -16.9163 -16.9163 -16.8967 -16.8967 -0.3653 -0.3653 -0.1863 -0.1863 4.2126 4.2126 6.8300 6.8300 7.6502 7.6502 9.0239 9.0239 9.2937 9.2937 9.6117 9.6117 9.6294 9.6294 10.0022 10.0022 10.4946 10.4946 11.9154 11.9154 13.3864 13.3864 13.4445 13.4445 13.6082 13.6082 13.6559 13.6559 k = 0.0000 0.0000 1.0240 ( 4116 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9907 -16.9907 -16.9907 -16.9907 -16.9290 -16.9290 -16.9290 -16.9290 1.7825 1.7825 1.7825 1.7825 3.0299 3.0299 3.0299 3.0299 6.5168 6.5168 6.5168 6.5168 9.6251 9.6251 9.6251 9.6251 10.3470 10.3470 10.3470 10.3470 12.0565 12.0565 12.0565 12.0565 12.2055 12.2055 12.2055 12.2055 13.6525 13.6525 13.6525 13.6525 k =-0.0238 0.0061 1.0240 ( 4102 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6524 -24.6524 -24.6524 -24.6524 -16.9906 -16.9906 -16.9906 -16.9906 -16.9289 -16.9289 -16.9289 -16.9289 1.7837 1.7837 1.7837 1.7837 3.0271 3.0271 3.0271 3.0271 6.5217 6.5217 6.5217 6.5217 9.6259 9.6259 9.6259 9.6259 10.3414 10.3414 10.3414 10.3414 12.0502 12.0502 12.0502 12.0502 12.2009 12.2009 12.2009 12.2009 13.6616 13.6616 13.6616 13.6616 k =-0.0476 0.0121 1.0240 ( 4110 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9907 -16.9907 -16.9907 -16.9907 -16.9290 -16.9290 -16.9290 -16.9290 1.7871 1.7871 1.7871 1.7871 3.0189 3.0189 3.0189 3.0189 6.5365 6.5365 6.5365 6.5365 9.6284 9.6284 9.6284 9.6284 10.3245 10.3245 10.3245 10.3245 12.0319 12.0319 12.0319 12.0319 12.1876 12.1876 12.1876 12.1876 13.6882 13.6882 13.6882 13.6882 k =-0.0714 0.0182 1.0240 ( 4110 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9907 -16.9907 -16.9907 -16.9907 -16.9289 -16.9289 -16.9289 -16.9289 1.7927 1.7927 1.7927 1.7927 3.0053 3.0053 3.0053 3.0053 6.5608 6.5608 6.5608 6.5608 9.6326 9.6326 9.6326 9.6326 10.2964 10.2964 10.2964 10.2964 12.0033 12.0033 12.0033 12.0033 12.1666 12.1666 12.1666 12.1666 13.7301 13.7301 13.7301 13.7301 k =-0.0952 0.0242 1.0240 ( 4106 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9908 -16.9908 -16.9908 -16.9908 -16.9288 -16.9288 -16.9288 -16.9288 1.8006 1.8006 1.8006 1.8006 2.9868 2.9868 2.9868 2.9868 6.5944 6.5944 6.5944 6.5944 9.6383 9.6383 9.6383 9.6383 10.2572 10.2572 10.2572 10.2572 11.9666 11.9666 11.9666 11.9666 12.1395 12.1395 12.1395 12.1395 13.7842 13.7842 13.7842 13.7842 k =-0.1190 0.0303 1.0240 ( 4102 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9909 -16.9909 -16.9909 -16.9909 -16.9287 -16.9287 -16.9287 -16.9287 1.8107 1.8107 1.8107 1.8107 2.9636 2.9636 2.9636 2.9636 6.6369 6.6369 6.6369 6.6369 9.6455 9.6455 9.6455 9.6455 10.2072 10.2072 10.2072 10.2072 11.9242 11.9242 11.9242 11.9242 12.1082 12.1082 12.1082 12.1082 13.8469 13.8469 13.8469 13.8469 k =-0.1429 0.0363 1.0240 ( 4098 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6524 -24.6524 -24.6524 -24.6524 -16.9909 -16.9909 -16.9909 -16.9909 -16.9286 -16.9286 -16.9286 -16.9286 1.8230 1.8230 1.8230 1.8230 2.9361 2.9361 2.9361 2.9361 6.6877 6.6877 6.6877 6.6877 9.6540 9.6540 9.6540 9.6540 10.1469 10.1469 10.1469 10.1469 11.8781 11.8781 11.8781 11.8781 12.0746 12.0746 12.0746 12.0746 13.9148 13.9148 13.9148 13.9148 k =-0.1667 0.0424 1.0240 ( 4114 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9911 -16.9911 -16.9911 -16.9911 -16.9285 -16.9285 -16.9285 -16.9285 1.8374 1.8374 1.8374 1.8374 2.9049 2.9049 2.9049 2.9049 6.7462 6.7462 6.7462 6.7462 9.6636 9.6636 9.6636 9.6636 10.0769 10.0769 10.0769 10.0769 11.8298 11.8298 11.8298 11.8298 12.0404 12.0404 12.0404 12.0404 13.9846 13.9846 13.9846 13.9846 k =-0.1905 0.0484 1.0240 ( 4114 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9912 -16.9912 -16.9912 -16.9912 -16.9284 -16.9284 -16.9284 -16.9284 1.8540 1.8540 1.8540 1.8540 2.8704 2.8704 2.8704 2.8704 6.8119 6.8119 6.8119 6.8119 9.6740 9.6740 9.6740 9.6740 9.9982 9.9982 9.9982 9.9982 11.7807 11.7807 11.7807 11.7807 12.0073 12.0073 12.0073 12.0073 14.0535 14.0535 14.0535 14.0535 k =-0.2143 0.0545 1.0240 ( 4098 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6524 -24.6524 -24.6524 -24.6524 -16.9913 -16.9913 -16.9913 -16.9913 -16.9282 -16.9282 -16.9282 -16.9282 1.8726 1.8726 1.8726 1.8726 2.8332 2.8332 2.8332 2.8332 6.8840 6.8840 6.8840 6.8840 9.6844 9.6844 9.6844 9.6844 9.9126 9.9126 9.9126 9.9126 11.7313 11.7313 11.7313 11.7313 11.9763 11.9763 11.9763 11.9763 14.1188 14.1188 14.1188 14.1188 k =-0.2381 0.0605 1.0240 ( 4100 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9914 -16.9914 -16.9914 -16.9914 -16.9281 -16.9281 -16.9281 -16.9281 1.8932 1.8932 1.8932 1.8932 2.7938 2.7938 2.7938 2.7938 6.9617 6.9617 6.9617 6.9617 9.6920 9.6920 9.6920 9.6920 9.8238 9.8238 9.8238 9.8238 11.6825 11.6825 11.6825 11.6825 11.9483 11.9483 11.9483 11.9483 14.1783 14.1783 14.1783 14.1783 k =-0.2619 0.0666 1.0240 ( 4104 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9916 -16.9916 -16.9916 -16.9916 -16.9280 -16.9280 -16.9280 -16.9280 1.9157 1.9157 1.9157 1.9157 2.7526 2.7526 2.7526 2.7526 7.0442 7.0442 7.0442 7.0442 9.6769 9.6769 9.6769 9.6769 9.7527 9.7527 9.7527 9.7527 11.6347 11.6347 11.6347 11.6347 11.9239 11.9239 11.9239 11.9239 14.2302 14.2302 14.2302 14.2302 k =-0.2857 0.0727 1.0240 ( 4104 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9917 -16.9917 -16.9917 -16.9917 -16.9278 -16.9278 -16.9278 -16.9278 1.9400 1.9400 1.9400 1.9400 2.7103 2.7103 2.7103 2.7103 7.1307 7.1307 7.1307 7.1307 9.5976 9.5976 9.5976 9.5976 9.7422 9.7422 9.7422 9.7422 11.5887 11.5887 11.5887 11.5887 11.9030 11.9030 11.9030 11.9030 14.2735 14.2735 14.2735 14.2735 k =-0.3095 0.0787 1.0240 ( 4100 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9918 -16.9918 -16.9918 -16.9918 -16.9277 -16.9277 -16.9277 -16.9277 1.9659 1.9659 1.9659 1.9659 2.6673 2.6673 2.6673 2.6673 7.2199 7.2199 7.2199 7.2199 9.4963 9.4963 9.4963 9.4963 9.7512 9.7512 9.7512 9.7512 11.5450 11.5450 11.5450 11.5450 11.8857 11.8857 11.8857 11.8857 14.3076 14.3076 14.3076 14.3076 k =-0.3333 0.0848 1.0240 ( 4104 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9920 -16.9920 -16.9920 -16.9920 -16.9276 -16.9276 -16.9276 -16.9276 1.9932 1.9932 1.9932 1.9932 2.6242 2.6242 2.6242 2.6242 7.3107 7.3107 7.3107 7.3107 9.3912 9.3912 9.3912 9.3912 9.7629 9.7629 9.7629 9.7629 11.5043 11.5043 11.5043 11.5043 11.8715 11.8715 11.8715 11.8715 14.3329 14.3329 14.3329 14.3329 k =-0.3571 0.0908 1.0240 ( 4102 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9921 -16.9921 -16.9921 -16.9921 -16.9275 -16.9275 -16.9275 -16.9275 2.0216 2.0216 2.0216 2.0216 2.5816 2.5816 2.5816 2.5816 7.4015 7.4015 7.4015 7.4015 9.2867 9.2867 9.2867 9.2867 9.7747 9.7747 9.7747 9.7747 11.4673 11.4673 11.4673 11.4673 11.8602 11.8602 11.8602 11.8602 14.3504 14.3504 14.3504 14.3504 k =-0.3810 0.0969 1.0240 ( 4098 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9921 -16.9921 -16.9921 -16.9921 -16.9273 -16.9273 -16.9273 -16.9273 2.0506 2.0506 2.0506 2.0506 2.5401 2.5401 2.5401 2.5401 7.4901 7.4901 7.4901 7.4901 9.1855 9.1855 9.1855 9.1855 9.7858 9.7858 9.7858 9.7858 11.4347 11.4347 11.4347 11.4347 11.8513 11.8513 11.8513 11.8513 14.3613 14.3613 14.3613 14.3613 k =-0.4048 0.1029 1.0240 ( 4104 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9922 -16.9922 -16.9922 -16.9922 -16.9273 -16.9273 -16.9273 -16.9273 2.0794 2.0794 2.0794 2.0794 2.5008 2.5008 2.5008 2.5008 7.5737 7.5737 7.5737 7.5737 9.0912 9.0912 9.0912 9.0912 9.7957 9.7957 9.7957 9.7957 11.4071 11.4071 11.4071 11.4071 11.8446 11.8446 11.8446 11.8446 14.3675 14.3675 14.3675 14.3675 k =-0.4286 0.1090 1.0240 ( 4112 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9923 -16.9923 -16.9923 -16.9923 -16.9273 -16.9273 -16.9273 -16.9273 2.1069 2.1069 2.1069 2.1069 2.4651 2.4651 2.4651 2.4651 7.6482 7.6482 7.6482 7.6482 9.0080 9.0080 9.0080 9.0080 9.8038 9.8038 9.8038 9.8038 11.3849 11.3849 11.3849 11.3849 11.8397 11.8397 11.8397 11.8397 14.3704 14.3704 14.3704 14.3704 k =-0.4524 0.1150 1.0240 ( 4112 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9924 -16.9924 -16.9924 -16.9924 -16.9272 -16.9272 -16.9272 -16.9272 2.1308 2.1308 2.1308 2.1308 2.4351 2.4351 2.4351 2.4351 7.7086 7.7086 7.7086 7.7086 8.9414 8.9414 8.9414 8.9414 9.8098 9.8098 9.8098 9.8098 11.3688 11.3688 11.3688 11.3688 11.8364 11.8364 11.8364 11.8364 14.3715 14.3715 14.3715 14.3715 k =-0.4762 0.1211 1.0240 ( 4104 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9924 -16.9924 -16.9924 -16.9924 -16.9272 -16.9272 -16.9272 -16.9272 2.1479 2.1479 2.1479 2.1479 2.4143 2.4143 2.4143 2.4143 7.7486 7.7486 7.7486 7.7486 8.8975 8.8975 8.8975 8.8975 9.8136 9.8136 9.8136 9.8136 11.3590 11.3590 11.3590 11.3590 11.8344 11.8344 11.8344 11.8344 14.3718 14.3718 14.3718 14.3718 k =-0.5000 0.1271 1.0240 ( 4108 PWs) bands (ev): -50.3117 -50.3117 -50.3117 -50.3117 -24.6525 -24.6525 -24.6525 -24.6525 -16.9924 -16.9924 -16.9924 -16.9924 -16.9272 -16.9272 -16.9272 -16.9272 2.1543 2.1543 2.1543 2.1543 2.4067 2.4067 2.4067 2.4067 7.7627 7.7627 7.7627 7.7627 8.8821 8.8821 8.8821 8.8821 9.8149 9.8149 9.8149 9.8149 11.3557 11.3557 11.3557 11.3557 11.8338 11.8338 11.8338 11.8338 14.3718 14.3718 14.3718 14.3718 Writing output data file HfGe2.save init_run : 3.88s CPU 12.08s WALL ( 1 calls) electrons : 740.72s CPU 748.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 740.69s CPU 748.07s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.84s WALL ( 1 calls) v_h : 0.05s CPU 0.05s WALL ( 1 calls) v_xc : 0.14s CPU 0.49s WALL ( 1 calls) newd : 0.35s CPU 0.52s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.08s WALL ( 410 calls) cegterg : 634.80s CPU 638.56s WALL ( 815 calls) Called by sum_band: Called by *egterg: h_psi : 347.70s CPU 355.09s WALL ( 12770 calls) s_psi : 24.45s CPU 24.86s WALL ( 12770 calls) g_psi : 0.60s CPU 0.68s WALL ( 11545 calls) cdiaghg : 200.14s CPU 197.45s WALL ( 11955 calls) cegterg:over : 49.99s CPU 46.80s WALL ( 11545 calls) cegterg:upda : 10.14s CPU 13.48s WALL ( 11545 calls) cegterg:last : 9.14s CPU 9.98s WALL ( 2194 calls) Called by h_psi: h_psi:vloc : 295.14s CPU 301.21s WALL ( 12770 calls) h_psi:vnl : 52.29s CPU 53.13s WALL ( 12770 calls) add_vuspsi : 15.72s CPU 19.69s WALL ( 12770 calls) General routines calbec : 36.53s CPU 33.28s WALL ( 12770 calls) fft : 0.36s CPU 1.24s WALL ( 19 calls) ffts : 0.04s CPU 0.04s WALL ( 4 calls) fftw : 280.96s CPU 282.73s WALL ( 1287320 calls) interpolate : 0.13s CPU 0.15s WALL ( 4 calls) davcio : 0.04s CPU 4.20s WALL ( 820 calls) Parallel routines fft_scatter : 144.02s CPU 143.37s WALL ( 1287343 calls) PWSCF : 14m 1.07s CPU 18m26.70s WALL This run was terminated on: 12:48:26 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=