Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:41: 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: ./Li2Ga.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 25 7 1317 632 101 Max 42 26 9 1322 646 104 Sum 2015 1243 371 63353 30615 4879 bravais-lattice index = 14 lattice parameter (alat) = 9.9933 a.u. unit-cell volume = 640.9822 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.993310 celldm(2)= 1.000000 celldm(3)= 0.825228 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.627900 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.627900 0.778294 0.000000 ) a(3) = ( 0.000000 0.000000 0.825228 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.806765 -0.000000 ) b(2) = ( 0.000000 1.284862 -0.000000 ) b(3) = ( 0.000000 0.000000 1.211786 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 42a5b1a926f6369f3011008fc0e1d799 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Li 3.00 6.94100 Li( 1.00) Ga 13.00 69.72300 Ga( 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 ) ( -0.4126142 ) 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 ) ( 0.4126142 ) 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= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0071429 0.0149403 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0142858 0.0298805 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0214287 0.0448208 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0285716 0.0597610 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0357144 0.0747013 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0428573 0.0896415 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0500002 0.1045818 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0571431 0.1195220 -0.0000000), wk = 0.0025000 k( 10) = ( 0.0642860 0.1344623 -0.0000000), wk = 0.0025000 k( 11) = ( 0.0714289 0.1494025 -0.0000000), wk = 0.0025000 k( 12) = ( 0.0785718 0.1643428 -0.0000000), wk = 0.0025000 k( 13) = ( 0.0857147 0.1792830 -0.0000000), wk = 0.0025000 k( 14) = ( 0.0928575 0.1942233 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1000004 0.2091635 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1071433 0.2241038 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1142862 0.2390440 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1214291 0.2539843 -0.0000000), wk = 0.0025000 k( 19) = ( 0.1285720 0.2689245 -0.0000000), wk = 0.0025000 k( 20) = ( 0.1357149 0.2838648 -0.0000000), wk = 0.0025000 k( 21) = ( 0.1428577 0.2988050 -0.0000000), wk = 0.0025000 k( 22) = ( 0.1500006 0.3137453 -0.0000000), wk = 0.0025000 k( 23) = ( 0.1571435 0.3286855 -0.0000000), wk = 0.0025000 k( 24) = ( 0.1642864 0.3436258 -0.0000000), wk = 0.0025000 k( 25) = ( 0.1714293 0.3585660 -0.0000000), wk = 0.0025000 k( 26) = ( 0.1785722 0.3735063 -0.0000000), wk = 0.0025000 k( 27) = ( 0.1857151 0.3884465 -0.0000000), wk = 0.0025000 k( 28) = ( 0.1928580 0.4033868 -0.0000000), wk = 0.0025000 k( 29) = ( 0.2000008 0.4183271 -0.0000000), wk = 0.0025000 k( 30) = ( 0.2071437 0.4332673 -0.0000000), wk = 0.0025000 k( 31) = ( 0.2142866 0.4482075 -0.0000000), wk = 0.0025000 k( 32) = ( 0.2214295 0.4631478 -0.0000000), wk = 0.0025000 k( 33) = ( 0.2285724 0.4780881 -0.0000000), wk = 0.0025000 k( 34) = ( 0.2357153 0.4930283 -0.0000000), wk = 0.0025000 k( 35) = ( 0.2428582 0.5079686 -0.0000000), wk = 0.0025000 k( 36) = ( 0.2500011 0.5229088 -0.0000000), wk = 0.0025000 k( 37) = ( 0.2571439 0.5378491 -0.0000000), wk = 0.0025000 k( 38) = ( 0.2642868 0.5527893 -0.0000000), wk = 0.0025000 k( 39) = ( 0.2714297 0.5677296 -0.0000000), wk = 0.0025000 k( 40) = ( 0.2785726 0.5826698 -0.0000000), wk = 0.0025000 k( 41) = ( 0.2857155 0.5976101 -0.0000000), wk = 0.0025000 k( 42) = ( 0.2928584 0.6125503 -0.0000000), wk = 0.0025000 k( 43) = ( 0.3000013 0.6274906 -0.0000000), wk = 0.0025000 k( 44) = ( 0.3071442 0.6424308 -0.0000000), wk = 0.0025000 k( 45) = ( 0.3071442 0.6424308 -0.0000000), wk = 0.0025000 k( 46) = ( 0.2909787 0.6424308 -0.0000000), wk = 0.0025000 k( 47) = ( 0.2748132 0.6424308 -0.0000000), wk = 0.0025000 k( 48) = ( 0.2586477 0.6424308 -0.0000000), wk = 0.0025000 k( 49) = ( 0.2424822 0.6424308 -0.0000000), wk = 0.0025000 k( 50) = ( 0.2263167 0.6424308 -0.0000000), wk = 0.0025000 k( 51) = ( 0.2101513 0.6424308 -0.0000000), wk = 0.0025000 k( 52) = ( 0.1939858 0.6424308 -0.0000000), wk = 0.0025000 k( 53) = ( 0.1778203 0.6424308 -0.0000000), wk = 0.0025000 k( 54) = ( 0.1616548 0.6424308 -0.0000000), wk = 0.0025000 k( 55) = ( 0.1454893 0.6424308 -0.0000000), wk = 0.0025000 k( 56) = ( 0.1293238 0.6424308 -0.0000000), wk = 0.0025000 k( 57) = ( 0.1131584 0.6424308 -0.0000000), wk = 0.0025000 k( 58) = ( 0.0969929 0.6424308 -0.0000000), wk = 0.0025000 k( 59) = ( 0.0808274 0.6424308 -0.0000000), wk = 0.0025000 k( 60) = ( 0.0646619 0.6424308 -0.0000000), wk = 0.0025000 k( 61) = ( 0.0484964 0.6424308 -0.0000000), wk = 0.0025000 k( 62) = ( 0.0323310 0.6424308 -0.0000000), wk = 0.0025000 k( 63) = ( 0.0161655 0.6424308 -0.0000000), wk = 0.0025000 k( 64) = ( 0.0000000 0.6424308 -0.0000000), wk = 0.0025000 k( 65) = ( 0.0000000 0.6424308 -0.0000000), wk = 0.0025000 k( 66) = ( 0.0000000 0.6424308 0.0168304), wk = 0.0025000 k( 67) = ( 0.0000000 0.6424308 0.0336607), wk = 0.0025000 k( 68) = ( 0.0000000 0.6424308 0.0504911), wk = 0.0025000 k( 69) = ( 0.0000000 0.6424308 0.0673214), wk = 0.0025000 k( 70) = ( 0.0000000 0.6424308 0.0841518), wk = 0.0025000 k( 71) = ( 0.0000000 0.6424308 0.1009821), wk = 0.0025000 k( 72) = ( 0.0000000 0.6424308 0.1178125), wk = 0.0025000 k( 73) = ( 0.0000000 0.6424308 0.1346428), wk = 0.0025000 k( 74) = ( 0.0000000 0.6424308 0.1514732), wk = 0.0025000 k( 75) = ( 0.0000000 0.6424308 0.1683036), wk = 0.0025000 k( 76) = ( 0.0000000 0.6424308 0.1851339), wk = 0.0025000 k( 77) = ( 0.0000000 0.6424308 0.2019643), wk = 0.0025000 k( 78) = ( 0.0000000 0.6424308 0.2187946), wk = 0.0025000 k( 79) = ( 0.0000000 0.6424308 0.2356250), wk = 0.0025000 k( 80) = ( 0.0000000 0.6424308 0.2524553), wk = 0.0025000 k( 81) = ( 0.0000000 0.6424308 0.2692857), wk = 0.0025000 k( 82) = ( 0.0000000 0.6424308 0.2861160), wk = 0.0025000 k( 83) = ( 0.0000000 0.6424308 0.3029464), wk = 0.0025000 k( 84) = ( 0.0000000 0.6424308 0.3197768), wk = 0.0025000 k( 85) = ( 0.0000000 0.6424308 0.3366071), wk = 0.0025000 k( 86) = ( 0.0000000 0.6424308 0.3534375), wk = 0.0025000 k( 87) = ( 0.0000000 0.6424308 0.3702678), wk = 0.0025000 k( 88) = ( 0.0000000 0.6424308 0.3870982), wk = 0.0025000 k( 89) = ( 0.0000000 0.6424308 0.4039285), wk = 0.0025000 k( 90) = ( 0.0000000 0.6424308 0.4207589), wk = 0.0025000 k( 91) = ( 0.0000000 0.6424308 0.4375892), wk = 0.0025000 k( 92) = ( 0.0000000 0.6424308 0.4544196), wk = 0.0025000 k( 93) = ( 0.0000000 0.6424308 0.4712500), wk = 0.0025000 k( 94) = ( 0.0000000 0.6424308 0.4880803), wk = 0.0025000 k( 95) = ( 0.0000000 0.6424308 0.5049107), wk = 0.0025000 k( 96) = ( 0.0000000 0.6424308 0.5217410), wk = 0.0025000 k( 97) = ( 0.0000000 0.6424308 0.5385714), wk = 0.0025000 k( 98) = ( 0.0000000 0.6424308 0.5554017), wk = 0.0025000 k( 99) = ( 0.0000000 0.6424308 0.5722321), wk = 0.0025000 k( 100) = ( 0.0000000 0.6424308 0.5890624), wk = 0.0025000 k( 101) = ( 0.0000000 0.6424308 0.6058928), wk = 0.0025000 k( 102) = ( 0.0000000 0.6424308 0.6058928), wk = 0.0025000 k( 103) = ( 0.0161655 0.6424308 0.6058928), wk = 0.0025000 k( 104) = ( 0.0323310 0.6424308 0.6058928), wk = 0.0025000 k( 105) = ( 0.0484964 0.6424308 0.6058928), wk = 0.0025000 k( 106) = ( 0.0646619 0.6424308 0.6058928), wk = 0.0025000 k( 107) = ( 0.0808274 0.6424308 0.6058928), wk = 0.0025000 k( 108) = ( 0.0969929 0.6424308 0.6058928), wk = 0.0025000 k( 109) = ( 0.1131584 0.6424308 0.6058928), wk = 0.0025000 k( 110) = ( 0.1293238 0.6424308 0.6058928), wk = 0.0025000 k( 111) = ( 0.1454893 0.6424308 0.6058928), wk = 0.0025000 k( 112) = ( 0.1616548 0.6424308 0.6058928), wk = 0.0025000 k( 113) = ( 0.1778203 0.6424308 0.6058928), wk = 0.0025000 k( 114) = ( 0.1939858 0.6424308 0.6058928), wk = 0.0025000 k( 115) = ( 0.2101513 0.6424308 0.6058928), wk = 0.0025000 k( 116) = ( 0.2263167 0.6424308 0.6058928), wk = 0.0025000 k( 117) = ( 0.2424822 0.6424308 0.6058928), wk = 0.0025000 k( 118) = ( 0.2586477 0.6424308 0.6058928), wk = 0.0025000 k( 119) = ( 0.2748132 0.6424308 0.6058928), wk = 0.0025000 k( 120) = ( 0.2909787 0.6424308 0.6058928), wk = 0.0025000 k( 121) = ( 0.3071442 0.6424308 0.6058928), wk = 0.0025000 k( 122) = ( 0.3071442 0.6424308 0.6058928), wk = 0.0025000 k( 123) = ( 0.3000013 0.6274906 0.6058928), wk = 0.0025000 k( 124) = ( 0.2928584 0.6125503 0.6058928), wk = 0.0025000 k( 125) = ( 0.2857155 0.5976101 0.6058928), wk = 0.0025000 k( 126) = ( 0.2785726 0.5826698 0.6058928), wk = 0.0025000 k( 127) = ( 0.2714297 0.5677296 0.6058928), wk = 0.0025000 k( 128) = ( 0.2642868 0.5527893 0.6058928), wk = 0.0025000 k( 129) = ( 0.2571439 0.5378491 0.6058928), wk = 0.0025000 k( 130) = ( 0.2500011 0.5229088 0.6058928), wk = 0.0025000 k( 131) = ( 0.2428582 0.5079686 0.6058928), wk = 0.0025000 k( 132) = ( 0.2357153 0.4930283 0.6058928), wk = 0.0025000 k( 133) = ( 0.2285724 0.4780881 0.6058928), wk = 0.0025000 k( 134) = ( 0.2214295 0.4631478 0.6058928), wk = 0.0025000 k( 135) = ( 0.2142866 0.4482075 0.6058928), wk = 0.0025000 k( 136) = ( 0.2071437 0.4332673 0.6058928), wk = 0.0025000 k( 137) = ( 0.2000008 0.4183271 0.6058928), wk = 0.0025000 k( 138) = ( 0.1928580 0.4033868 0.6058928), wk = 0.0025000 k( 139) = ( 0.1857151 0.3884465 0.6058928), wk = 0.0025000 k( 140) = ( 0.1785722 0.3735063 0.6058928), wk = 0.0025000 k( 141) = ( 0.1714293 0.3585660 0.6058928), wk = 0.0025000 k( 142) = ( 0.1642864 0.3436258 0.6058928), wk = 0.0025000 k( 143) = ( 0.1571435 0.3286855 0.6058928), wk = 0.0025000 k( 144) = ( 0.1500006 0.3137453 0.6058928), wk = 0.0025000 k( 145) = ( 0.1428577 0.2988050 0.6058928), wk = 0.0025000 k( 146) = ( 0.1357149 0.2838648 0.6058928), wk = 0.0025000 k( 147) = ( 0.1285720 0.2689245 0.6058928), wk = 0.0025000 k( 148) = ( 0.1214291 0.2539843 0.6058928), wk = 0.0025000 k( 149) = ( 0.1142862 0.2390440 0.6058928), wk = 0.0025000 k( 150) = ( 0.1071433 0.2241038 0.6058928), wk = 0.0025000 k( 151) = ( 0.1000004 0.2091635 0.6058928), wk = 0.0025000 k( 152) = ( 0.0928575 0.1942233 0.6058928), wk = 0.0025000 k( 153) = ( 0.0857147 0.1792830 0.6058928), wk = 0.0025000 k( 154) = ( 0.0785718 0.1643428 0.6058928), wk = 0.0025000 k( 155) = ( 0.0714289 0.1494025 0.6058928), wk = 0.0025000 k( 156) = ( 0.0642860 0.1344623 0.6058928), wk = 0.0025000 k( 157) = ( 0.0571431 0.1195220 0.6058928), wk = 0.0025000 k( 158) = ( 0.0500002 0.1045818 0.6058928), wk = 0.0025000 k( 159) = ( 0.0428573 0.0896415 0.6058928), wk = 0.0025000 k( 160) = ( 0.0357144 0.0747013 0.6058928), wk = 0.0025000 k( 161) = ( 0.0285716 0.0597610 0.6058928), wk = 0.0025000 k( 162) = ( 0.0214287 0.0448208 0.6058928), wk = 0.0025000 k( 163) = ( 0.0142858 0.0298805 0.6058928), wk = 0.0025000 k( 164) = ( 0.0071429 0.0149403 0.6058928), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.6058928), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.6058928), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.5890624), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.5722321), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.5554017), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.5385714), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.5217410), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.5049107), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.4880803), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.4712500), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.4544196), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.4375892), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.4207589), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.4039285), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.3870982), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.3702678), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.3534375), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.3366071), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.3197768), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.3029464), wk = 0.0025000 k( 185) = ( 0.0000000 0.0000000 0.2861160), wk = 0.0025000 k( 186) = ( 0.0000000 0.0000000 0.2692857), wk = 0.0025000 k( 187) = ( 0.0000000 0.0000000 0.2524553), wk = 0.0025000 k( 188) = ( 0.0000000 0.0000000 0.2356250), wk = 0.0025000 k( 189) = ( 0.0000000 0.0000000 0.2187946), wk = 0.0025000 k( 190) = ( 0.0000000 0.0000000 0.2019643), wk = 0.0025000 k( 191) = ( 0.0000000 0.0000000 0.1851339), wk = 0.0025000 k( 192) = ( 0.0000000 0.0000000 0.1683036), wk = 0.0025000 k( 193) = ( 0.0000000 0.0000000 0.1514732), wk = 0.0025000 k( 194) = ( 0.0000000 0.0000000 0.1346428), wk = 0.0025000 k( 195) = ( 0.0000000 0.0000000 0.1178125), wk = 0.0025000 k( 196) = ( 0.0000000 0.0000000 0.1009821), wk = 0.0025000 k( 197) = ( 0.0000000 0.0000000 0.0841518), wk = 0.0025000 k( 198) = ( 0.0000000 0.0000000 0.0673214), wk = 0.0025000 k( 199) = ( 0.0000000 0.0000000 0.0504911), wk = 0.0025000 k( 200) = ( 0.0000000 0.0000000 0.0336607), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.0168304), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 204) = ( -0.0151515 0.0072439 0.0000000), wk = 0.0025000 k( 205) = ( -0.0303030 0.0144878 0.0000000), wk = 0.0025000 k( 206) = ( -0.0454546 0.0217317 0.0000000), wk = 0.0025000 k( 207) = ( -0.0606061 0.0289756 0.0000000), wk = 0.0025000 k( 208) = ( -0.0757576 0.0362195 0.0000000), wk = 0.0025000 k( 209) = ( -0.0909091 0.0434633 0.0000000), wk = 0.0025000 k( 210) = ( -0.1060606 0.0507072 0.0000000), wk = 0.0025000 k( 211) = ( -0.1212121 0.0579511 0.0000000), wk = 0.0025000 k( 212) = ( -0.1363636 0.0651950 0.0000000), wk = 0.0025000 k( 213) = ( -0.1515151 0.0724389 0.0000000), wk = 0.0025000 k( 214) = ( -0.1666667 0.0796828 0.0000000), wk = 0.0025000 k( 215) = ( -0.1818182 0.0869267 0.0000000), wk = 0.0025000 k( 216) = ( -0.1969697 0.0941706 0.0000000), wk = 0.0025000 k( 217) = ( -0.2121212 0.1014145 0.0000000), wk = 0.0025000 k( 218) = ( -0.2272727 0.1086584 0.0000000), wk = 0.0025000 k( 219) = ( -0.2424242 0.1159023 0.0000000), wk = 0.0025000 k( 220) = ( -0.2575758 0.1231462 0.0000000), wk = 0.0025000 k( 221) = ( -0.2727273 0.1303900 0.0000000), wk = 0.0025000 k( 222) = ( -0.2878788 0.1376339 0.0000000), wk = 0.0025000 k( 223) = ( -0.3030303 0.1448778 0.0000000), wk = 0.0025000 k( 224) = ( -0.3181818 0.1521217 0.0000000), wk = 0.0025000 k( 225) = ( -0.3333333 0.1593656 0.0000000), wk = 0.0025000 k( 226) = ( -0.3484849 0.1666095 0.0000000), wk = 0.0025000 k( 227) = ( -0.3636364 0.1738534 0.0000000), wk = 0.0025000 k( 228) = ( -0.3787879 0.1810973 0.0000000), wk = 0.0025000 k( 229) = ( -0.3939394 0.1883412 0.0000000), wk = 0.0025000 k( 230) = ( -0.4090909 0.1955851 0.0000000), wk = 0.0025000 k( 231) = ( -0.4242424 0.2028290 0.0000000), wk = 0.0025000 k( 232) = ( -0.4393939 0.2100729 0.0000000), wk = 0.0025000 k( 233) = ( -0.4545455 0.2173167 0.0000000), wk = 0.0025000 k( 234) = ( -0.4696970 0.2245606 0.0000000), wk = 0.0025000 k( 235) = ( -0.4848485 0.2318045 0.0000000), wk = 0.0025000 k( 236) = ( -0.5000000 0.2390484 0.0000000), wk = 0.0025000 k( 237) = ( -0.5000000 0.2390484 0.0000000), wk = 0.0025000 k( 238) = ( -0.4928572 0.2539885 -0.0000000), wk = 0.0025000 k( 239) = ( -0.4857144 0.2689286 -0.0000000), wk = 0.0025000 k( 240) = ( -0.4785716 0.2838687 -0.0000000), wk = 0.0025000 k( 241) = ( -0.4714288 0.2988088 -0.0000000), wk = 0.0025000 k( 242) = ( -0.4642860 0.3137489 -0.0000000), wk = 0.0025000 k( 243) = ( -0.4571431 0.3286890 -0.0000000), wk = 0.0025000 k( 244) = ( -0.4500003 0.3436291 -0.0000000), wk = 0.0025000 k( 245) = ( -0.4428575 0.3585691 -0.0000000), wk = 0.0025000 k( 246) = ( -0.4357147 0.3735092 -0.0000000), wk = 0.0025000 k( 247) = ( -0.4285719 0.3884493 -0.0000000), wk = 0.0025000 k( 248) = ( -0.4214291 0.4033894 -0.0000000), wk = 0.0025000 k( 249) = ( -0.4142863 0.4183295 -0.0000000), wk = 0.0025000 k( 250) = ( -0.4071435 0.4332696 -0.0000000), wk = 0.0025000 k( 251) = ( -0.4000007 0.4482097 -0.0000000), wk = 0.0025000 k( 252) = ( -0.3928579 0.4631498 -0.0000000), wk = 0.0025000 k( 253) = ( -0.3857151 0.4780898 -0.0000000), wk = 0.0025000 k( 254) = ( -0.3785722 0.4930299 -0.0000000), wk = 0.0025000 k( 255) = ( -0.3714294 0.5079700 -0.0000000), wk = 0.0025000 k( 256) = ( -0.3642866 0.5229101 -0.0000000), wk = 0.0025000 k( 257) = ( -0.3571438 0.5378502 -0.0000000), wk = 0.0025000 k( 258) = ( -0.3500010 0.5527903 -0.0000000), wk = 0.0025000 k( 259) = ( -0.3428582 0.5677304 -0.0000000), wk = 0.0025000 k( 260) = ( -0.3357154 0.5826705 -0.0000000), wk = 0.0025000 k( 261) = ( -0.3285726 0.5976106 -0.0000000), wk = 0.0025000 k( 262) = ( -0.3214298 0.6125507 -0.0000000), wk = 0.0025000 k( 263) = ( -0.3142870 0.6274907 -0.0000000), wk = 0.0025000 k( 264) = ( -0.3071442 0.6424308 -0.0000000), wk = 0.0025000 k( 265) = ( -0.3071442 0.6424308 -0.0000000), wk = 0.0025000 k( 266) = ( -0.3071442 0.6424308 0.0168304), wk = 0.0025000 k( 267) = ( -0.3071442 0.6424308 0.0336607), wk = 0.0025000 k( 268) = ( -0.3071442 0.6424308 0.0504911), wk = 0.0025000 k( 269) = ( -0.3071442 0.6424308 0.0673214), wk = 0.0025000 k( 270) = ( -0.3071442 0.6424308 0.0841518), wk = 0.0025000 k( 271) = ( -0.3071442 0.6424308 0.1009821), wk = 0.0025000 k( 272) = ( -0.3071442 0.6424308 0.1178125), wk = 0.0025000 k( 273) = ( -0.3071442 0.6424308 0.1346428), wk = 0.0025000 k( 274) = ( -0.3071442 0.6424308 0.1514732), wk = 0.0025000 k( 275) = ( -0.3071442 0.6424308 0.1683036), wk = 0.0025000 k( 276) = ( -0.3071442 0.6424308 0.1851339), wk = 0.0025000 k( 277) = ( -0.3071442 0.6424308 0.2019643), wk = 0.0025000 k( 278) = ( -0.3071442 0.6424308 0.2187946), wk = 0.0025000 k( 279) = ( -0.3071442 0.6424308 0.2356250), wk = 0.0025000 k( 280) = ( -0.3071442 0.6424308 0.2524553), wk = 0.0025000 k( 281) = ( -0.3071442 0.6424308 0.2692857), wk = 0.0025000 k( 282) = ( -0.3071442 0.6424308 0.2861160), wk = 0.0025000 k( 283) = ( -0.3071442 0.6424308 0.3029464), wk = 0.0025000 k( 284) = ( -0.3071442 0.6424308 0.3197768), wk = 0.0025000 k( 285) = ( -0.3071442 0.6424308 0.3366071), wk = 0.0025000 k( 286) = ( -0.3071442 0.6424308 0.3534375), wk = 0.0025000 k( 287) = ( -0.3071442 0.6424308 0.3702678), wk = 0.0025000 k( 288) = ( -0.3071442 0.6424308 0.3870982), wk = 0.0025000 k( 289) = ( -0.3071442 0.6424308 0.4039285), wk = 0.0025000 k( 290) = ( -0.3071442 0.6424308 0.4207589), wk = 0.0025000 k( 291) = ( -0.3071442 0.6424308 0.4375892), wk = 0.0025000 k( 292) = ( -0.3071442 0.6424308 0.4544196), wk = 0.0025000 k( 293) = ( -0.3071442 0.6424308 0.4712500), wk = 0.0025000 k( 294) = ( -0.3071442 0.6424308 0.4880803), wk = 0.0025000 k( 295) = ( -0.3071442 0.6424308 0.5049107), wk = 0.0025000 k( 296) = ( -0.3071442 0.6424308 0.5217410), wk = 0.0025000 k( 297) = ( -0.3071442 0.6424308 0.5385714), wk = 0.0025000 k( 298) = ( -0.3071442 0.6424308 0.5554017), wk = 0.0025000 k( 299) = ( -0.3071442 0.6424308 0.5722321), wk = 0.0025000 k( 300) = ( -0.3071442 0.6424308 0.5890624), wk = 0.0025000 k( 301) = ( -0.3071442 0.6424308 0.6058928), wk = 0.0025000 k( 302) = ( -0.3071442 0.6424308 0.6058928), wk = 0.0025000 k( 303) = ( -0.3142870 0.6274907 0.6058928), wk = 0.0025000 k( 304) = ( -0.3214298 0.6125507 0.6058928), wk = 0.0025000 k( 305) = ( -0.3285726 0.5976106 0.6058928), wk = 0.0025000 k( 306) = ( -0.3357154 0.5826705 0.6058928), wk = 0.0025000 k( 307) = ( -0.3428582 0.5677304 0.6058928), wk = 0.0025000 k( 308) = ( -0.3500010 0.5527903 0.6058928), wk = 0.0025000 k( 309) = ( -0.3571438 0.5378502 0.6058928), wk = 0.0025000 k( 310) = ( -0.3642866 0.5229101 0.6058928), wk = 0.0025000 k( 311) = ( -0.3714294 0.5079700 0.6058928), wk = 0.0025000 k( 312) = ( -0.3785722 0.4930299 0.6058928), wk = 0.0025000 k( 313) = ( -0.3857151 0.4780898 0.6058928), wk = 0.0025000 k( 314) = ( -0.3928579 0.4631498 0.6058928), wk = 0.0025000 k( 315) = ( -0.4000007 0.4482097 0.6058928), wk = 0.0025000 k( 316) = ( -0.4071435 0.4332696 0.6058928), wk = 0.0025000 k( 317) = ( -0.4142863 0.4183295 0.6058928), wk = 0.0025000 k( 318) = ( -0.4214291 0.4033894 0.6058928), wk = 0.0025000 k( 319) = ( -0.4285719 0.3884493 0.6058928), wk = 0.0025000 k( 320) = ( -0.4357147 0.3735092 0.6058928), wk = 0.0025000 k( 321) = ( -0.4428575 0.3585691 0.6058928), wk = 0.0025000 k( 322) = ( -0.4500003 0.3436291 0.6058928), wk = 0.0025000 k( 323) = ( -0.4571431 0.3286890 0.6058928), wk = 0.0025000 k( 324) = ( -0.4642860 0.3137489 0.6058928), wk = 0.0025000 k( 325) = ( -0.4714288 0.2988088 0.6058928), wk = 0.0025000 k( 326) = ( -0.4785716 0.2838687 0.6058928), wk = 0.0025000 k( 327) = ( -0.4857144 0.2689286 0.6058928), wk = 0.0025000 k( 328) = ( -0.4928572 0.2539885 0.6058928), wk = 0.0025000 k( 329) = ( -0.5000000 0.2390484 0.6058928), wk = 0.0025000 k( 330) = ( -0.5000000 0.2390484 0.6058928), wk = 0.0025000 k( 331) = ( -0.5000000 0.2390484 0.5890624), wk = 0.0025000 k( 332) = ( -0.5000000 0.2390484 0.5722321), wk = 0.0025000 k( 333) = ( -0.5000000 0.2390484 0.5554017), wk = 0.0025000 k( 334) = ( -0.5000000 0.2390484 0.5385714), wk = 0.0025000 k( 335) = ( -0.5000000 0.2390484 0.5217410), wk = 0.0025000 k( 336) = ( -0.5000000 0.2390484 0.5049107), wk = 0.0025000 k( 337) = ( -0.5000000 0.2390484 0.4880803), wk = 0.0025000 k( 338) = ( -0.5000000 0.2390484 0.4712500), wk = 0.0025000 k( 339) = ( -0.5000000 0.2390484 0.4544196), wk = 0.0025000 k( 340) = ( -0.5000000 0.2390484 0.4375892), wk = 0.0025000 k( 341) = ( -0.5000000 0.2390484 0.4207589), wk = 0.0025000 k( 342) = ( -0.5000000 0.2390484 0.4039285), wk = 0.0025000 k( 343) = ( -0.5000000 0.2390484 0.3870982), wk = 0.0025000 k( 344) = ( -0.5000000 0.2390484 0.3702678), wk = 0.0025000 k( 345) = ( -0.5000000 0.2390484 0.3534375), wk = 0.0025000 k( 346) = ( -0.5000000 0.2390484 0.3366071), wk = 0.0025000 k( 347) = ( -0.5000000 0.2390484 0.3197768), wk = 0.0025000 k( 348) = ( -0.5000000 0.2390484 0.3029464), wk = 0.0025000 k( 349) = ( -0.5000000 0.2390484 0.2861160), wk = 0.0025000 k( 350) = ( -0.5000000 0.2390484 0.2692857), wk = 0.0025000 k( 351) = ( -0.5000000 0.2390484 0.2524553), wk = 0.0025000 k( 352) = ( -0.5000000 0.2390484 0.2356250), wk = 0.0025000 k( 353) = ( -0.5000000 0.2390484 0.2187946), wk = 0.0025000 k( 354) = ( -0.5000000 0.2390484 0.2019643), wk = 0.0025000 k( 355) = ( -0.5000000 0.2390484 0.1851339), wk = 0.0025000 k( 356) = ( -0.5000000 0.2390484 0.1683036), wk = 0.0025000 k( 357) = ( -0.5000000 0.2390484 0.1514732), wk = 0.0025000 k( 358) = ( -0.5000000 0.2390484 0.1346428), wk = 0.0025000 k( 359) = ( -0.5000000 0.2390484 0.1178125), wk = 0.0025000 k( 360) = ( -0.5000000 0.2390484 0.1009821), wk = 0.0025000 k( 361) = ( -0.5000000 0.2390484 0.0841518), wk = 0.0025000 k( 362) = ( -0.5000000 0.2390484 0.0673214), wk = 0.0025000 k( 363) = ( -0.5000000 0.2390484 0.0504911), wk = 0.0025000 k( 364) = ( -0.5000000 0.2390484 0.0336607), wk = 0.0025000 k( 365) = ( -0.5000000 0.2390484 0.0168304), wk = 0.0025000 k( 366) = ( -0.5000000 0.2390484 0.0000000), wk = 0.0025000 k( 367) = ( 0.0000000 0.0000000 0.6058928), wk = 0.0025000 k( 368) = ( -0.0151515 0.0072439 0.6058928), wk = 0.0025000 k( 369) = ( -0.0303030 0.0144878 0.6058928), wk = 0.0025000 k( 370) = ( -0.0454546 0.0217317 0.6058928), wk = 0.0025000 k( 371) = ( -0.0606061 0.0289756 0.6058928), wk = 0.0025000 k( 372) = ( -0.0757576 0.0362195 0.6058928), wk = 0.0025000 k( 373) = ( -0.0909091 0.0434633 0.6058928), wk = 0.0025000 k( 374) = ( -0.1060606 0.0507072 0.6058928), wk = 0.0025000 k( 375) = ( -0.1212121 0.0579511 0.6058928), wk = 0.0025000 k( 376) = ( -0.1363636 0.0651950 0.6058928), wk = 0.0025000 k( 377) = ( -0.1515151 0.0724389 0.6058928), wk = 0.0025000 k( 378) = ( -0.1666667 0.0796828 0.6058928), wk = 0.0025000 k( 379) = ( -0.1818182 0.0869267 0.6058928), wk = 0.0025000 k( 380) = ( -0.1969697 0.0941706 0.6058928), wk = 0.0025000 k( 381) = ( -0.2121212 0.1014145 0.6058928), wk = 0.0025000 k( 382) = ( -0.2272727 0.1086584 0.6058928), wk = 0.0025000 k( 383) = ( -0.2424242 0.1159023 0.6058928), wk = 0.0025000 k( 384) = ( -0.2575758 0.1231462 0.6058928), wk = 0.0025000 k( 385) = ( -0.2727273 0.1303900 0.6058928), wk = 0.0025000 k( 386) = ( -0.2878788 0.1376339 0.6058928), wk = 0.0025000 k( 387) = ( -0.3030303 0.1448778 0.6058928), wk = 0.0025000 k( 388) = ( -0.3181818 0.1521217 0.6058928), wk = 0.0025000 k( 389) = ( -0.3333333 0.1593656 0.6058928), wk = 0.0025000 k( 390) = ( -0.3484849 0.1666095 0.6058928), wk = 0.0025000 k( 391) = ( -0.3636364 0.1738534 0.6058928), wk = 0.0025000 k( 392) = ( -0.3787879 0.1810973 0.6058928), wk = 0.0025000 k( 393) = ( -0.3939394 0.1883412 0.6058928), wk = 0.0025000 k( 394) = ( -0.4090909 0.1955851 0.6058928), wk = 0.0025000 k( 395) = ( -0.4242424 0.2028290 0.6058928), wk = 0.0025000 k( 396) = ( -0.4393939 0.2100729 0.6058928), wk = 0.0025000 k( 397) = ( -0.4545455 0.2173167 0.6058928), wk = 0.0025000 k( 398) = ( -0.4696970 0.2245606 0.6058928), wk = 0.0025000 k( 399) = ( -0.4848485 0.2318045 0.6058928), wk = 0.0025000 k( 400) = ( -0.5000000 0.2390484 0.6058928), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0071429 0.0071429 0.0000000), wk = 0.0025000 k( 3) = ( 0.0142858 0.0142858 0.0000000), wk = 0.0025000 k( 4) = ( 0.0214287 0.0214287 0.0000000), wk = 0.0025000 k( 5) = ( 0.0285716 0.0285715 0.0000000), wk = 0.0025000 k( 6) = ( 0.0357144 0.0357144 0.0000000), wk = 0.0025000 k( 7) = ( 0.0428573 0.0428573 0.0000000), wk = 0.0025000 k( 8) = ( 0.0500002 0.0500002 0.0000000), wk = 0.0025000 k( 9) = ( 0.0571431 0.0571431 0.0000000), wk = 0.0025000 k( 10) = ( 0.0642860 0.0642860 0.0000000), wk = 0.0025000 k( 11) = ( 0.0714289 0.0714289 0.0000000), wk = 0.0025000 k( 12) = ( 0.0785718 0.0785718 0.0000000), wk = 0.0025000 k( 13) = ( 0.0857147 0.0857147 0.0000000), wk = 0.0025000 k( 14) = ( 0.0928575 0.0928575 0.0000000), wk = 0.0025000 k( 15) = ( 0.1000004 0.1000004 0.0000000), wk = 0.0025000 k( 16) = ( 0.1071433 0.1071433 0.0000000), wk = 0.0025000 k( 17) = ( 0.1142862 0.1142862 0.0000000), wk = 0.0025000 k( 18) = ( 0.1214291 0.1214291 0.0000000), wk = 0.0025000 k( 19) = ( 0.1285720 0.1285720 0.0000000), wk = 0.0025000 k( 20) = ( 0.1357149 0.1357149 0.0000000), wk = 0.0025000 k( 21) = ( 0.1428577 0.1428577 0.0000000), wk = 0.0025000 k( 22) = ( 0.1500006 0.1500006 0.0000000), wk = 0.0025000 k( 23) = ( 0.1571435 0.1571435 0.0000000), wk = 0.0025000 k( 24) = ( 0.1642864 0.1642864 0.0000000), wk = 0.0025000 k( 25) = ( 0.1714293 0.1714293 0.0000000), wk = 0.0025000 k( 26) = ( 0.1785722 0.1785722 0.0000000), wk = 0.0025000 k( 27) = ( 0.1857151 0.1857151 0.0000000), wk = 0.0025000 k( 28) = ( 0.1928580 0.1928579 0.0000000), wk = 0.0025000 k( 29) = ( 0.2000008 0.2000008 0.0000000), wk = 0.0025000 k( 30) = ( 0.2071437 0.2071437 0.0000000), wk = 0.0025000 k( 31) = ( 0.2142866 0.2142866 0.0000000), wk = 0.0025000 k( 32) = ( 0.2214295 0.2214295 0.0000000), wk = 0.0025000 k( 33) = ( 0.2285724 0.2285724 0.0000000), wk = 0.0025000 k( 34) = ( 0.2357153 0.2357153 0.0000000), wk = 0.0025000 k( 35) = ( 0.2428582 0.2428582 0.0000000), wk = 0.0025000 k( 36) = ( 0.2500011 0.2500010 0.0000000), wk = 0.0025000 k( 37) = ( 0.2571439 0.2571439 0.0000000), wk = 0.0025000 k( 38) = ( 0.2642868 0.2642868 0.0000000), wk = 0.0025000 k( 39) = ( 0.2714297 0.2714297 0.0000000), wk = 0.0025000 k( 40) = ( 0.2785726 0.2785726 0.0000000), wk = 0.0025000 k( 41) = ( 0.2857155 0.2857155 0.0000000), wk = 0.0025000 k( 42) = ( 0.2928584 0.2928584 0.0000000), wk = 0.0025000 k( 43) = ( 0.3000013 0.3000013 0.0000000), wk = 0.0025000 k( 44) = ( 0.3071442 0.3071442 0.0000000), wk = 0.0025000 k( 45) = ( 0.3071442 0.3071442 0.0000000), wk = 0.0025000 k( 46) = ( 0.2909787 0.3172945 0.0000000), wk = 0.0025000 k( 47) = ( 0.2748132 0.3274448 0.0000000), wk = 0.0025000 k( 48) = ( 0.2586477 0.3375951 0.0000000), wk = 0.0025000 k( 49) = ( 0.2424822 0.3477454 0.0000000), wk = 0.0025000 k( 50) = ( 0.2263167 0.3578957 0.0000000), wk = 0.0025000 k( 51) = ( 0.2101513 0.3680460 0.0000000), wk = 0.0025000 k( 52) = ( 0.1939858 0.3781963 0.0000000), wk = 0.0025000 k( 53) = ( 0.1778203 0.3883466 0.0000000), wk = 0.0025000 k( 54) = ( 0.1616548 0.3984969 0.0000000), wk = 0.0025000 k( 55) = ( 0.1454893 0.4086472 0.0000000), wk = 0.0025000 k( 56) = ( 0.1293238 0.4187975 0.0000000), wk = 0.0025000 k( 57) = ( 0.1131584 0.4289478 0.0000000), wk = 0.0025000 k( 58) = ( 0.0969929 0.4390982 0.0000000), wk = 0.0025000 k( 59) = ( 0.0808274 0.4492485 0.0000000), wk = 0.0025000 k( 60) = ( 0.0646619 0.4593988 0.0000000), wk = 0.0025000 k( 61) = ( 0.0484964 0.4695491 0.0000000), wk = 0.0025000 k( 62) = ( 0.0323310 0.4796994 0.0000000), wk = 0.0025000 k( 63) = ( 0.0161655 0.4898497 -0.0000000), wk = 0.0025000 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 65) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 66) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0025000 k( 67) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0025000 k( 68) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0025000 k( 69) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0025000 k( 70) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0025000 k( 71) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0025000 k( 72) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0025000 k( 73) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0025000 k( 74) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0025000 k( 75) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0025000 k( 76) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0025000 k( 77) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025000 k( 78) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0025000 k( 79) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0025000 k( 80) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0025000 k( 81) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0025000 k( 82) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0025000 k( 83) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025000 k( 84) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0025000 k( 85) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0025000 k( 86) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0025000 k( 87) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0025000 k( 88) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0025000 k( 89) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025000 k( 90) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0025000 k( 91) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0025000 k( 92) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0025000 k( 93) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0025000 k( 94) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0025000 k( 95) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0025000 k( 96) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0025000 k( 97) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0025000 k( 98) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0025000 k( 99) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0025000 k( 100) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0025000 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 102) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 103) = ( 0.0161655 0.4898497 0.5000000), wk = 0.0025000 k( 104) = ( 0.0323310 0.4796994 0.5000000), wk = 0.0025000 k( 105) = ( 0.0484964 0.4695491 0.5000000), wk = 0.0025000 k( 106) = ( 0.0646619 0.4593988 0.5000000), wk = 0.0025000 k( 107) = ( 0.0808274 0.4492485 0.5000000), wk = 0.0025000 k( 108) = ( 0.0969929 0.4390982 0.5000000), wk = 0.0025000 k( 109) = ( 0.1131584 0.4289478 0.5000000), wk = 0.0025000 k( 110) = ( 0.1293238 0.4187975 0.5000000), wk = 0.0025000 k( 111) = ( 0.1454893 0.4086472 0.5000000), wk = 0.0025000 k( 112) = ( 0.1616548 0.3984969 0.5000000), wk = 0.0025000 k( 113) = ( 0.1778203 0.3883466 0.5000000), wk = 0.0025000 k( 114) = ( 0.1939858 0.3781963 0.5000000), wk = 0.0025000 k( 115) = ( 0.2101513 0.3680460 0.5000000), wk = 0.0025000 k( 116) = ( 0.2263167 0.3578957 0.5000000), wk = 0.0025000 k( 117) = ( 0.2424822 0.3477454 0.5000000), wk = 0.0025000 k( 118) = ( 0.2586477 0.3375951 0.5000000), wk = 0.0025000 k( 119) = ( 0.2748132 0.3274448 0.5000000), wk = 0.0025000 k( 120) = ( 0.2909787 0.3172945 0.5000000), wk = 0.0025000 k( 121) = ( 0.3071442 0.3071442 0.5000000), wk = 0.0025000 k( 122) = ( 0.3071442 0.3071442 0.5000000), wk = 0.0025000 k( 123) = ( 0.3000013 0.3000013 0.5000000), wk = 0.0025000 k( 124) = ( 0.2928584 0.2928584 0.5000000), wk = 0.0025000 k( 125) = ( 0.2857155 0.2857155 0.5000000), wk = 0.0025000 k( 126) = ( 0.2785726 0.2785726 0.5000000), wk = 0.0025000 k( 127) = ( 0.2714297 0.2714297 0.5000000), wk = 0.0025000 k( 128) = ( 0.2642868 0.2642868 0.5000000), wk = 0.0025000 k( 129) = ( 0.2571439 0.2571439 0.5000000), wk = 0.0025000 k( 130) = ( 0.2500011 0.2500010 0.5000000), wk = 0.0025000 k( 131) = ( 0.2428582 0.2428582 0.5000000), wk = 0.0025000 k( 132) = ( 0.2357153 0.2357153 0.5000000), wk = 0.0025000 k( 133) = ( 0.2285724 0.2285724 0.5000000), wk = 0.0025000 k( 134) = ( 0.2214295 0.2214295 0.5000000), wk = 0.0025000 k( 135) = ( 0.2142866 0.2142866 0.5000000), wk = 0.0025000 k( 136) = ( 0.2071437 0.2071437 0.5000000), wk = 0.0025000 k( 137) = ( 0.2000008 0.2000008 0.5000000), wk = 0.0025000 k( 138) = ( 0.1928580 0.1928579 0.5000000), wk = 0.0025000 k( 139) = ( 0.1857151 0.1857151 0.5000000), wk = 0.0025000 k( 140) = ( 0.1785722 0.1785722 0.5000000), wk = 0.0025000 k( 141) = ( 0.1714293 0.1714293 0.5000000), wk = 0.0025000 k( 142) = ( 0.1642864 0.1642864 0.5000000), wk = 0.0025000 k( 143) = ( 0.1571435 0.1571435 0.5000000), wk = 0.0025000 k( 144) = ( 0.1500006 0.1500006 0.5000000), wk = 0.0025000 k( 145) = ( 0.1428577 0.1428577 0.5000000), wk = 0.0025000 k( 146) = ( 0.1357149 0.1357149 0.5000000), wk = 0.0025000 k( 147) = ( 0.1285720 0.1285720 0.5000000), wk = 0.0025000 k( 148) = ( 0.1214291 0.1214291 0.5000000), wk = 0.0025000 k( 149) = ( 0.1142862 0.1142862 0.5000000), wk = 0.0025000 k( 150) = ( 0.1071433 0.1071433 0.5000000), wk = 0.0025000 k( 151) = ( 0.1000004 0.1000004 0.5000000), wk = 0.0025000 k( 152) = ( 0.0928575 0.0928575 0.5000000), wk = 0.0025000 k( 153) = ( 0.0857147 0.0857147 0.5000000), wk = 0.0025000 k( 154) = ( 0.0785718 0.0785718 0.5000000), wk = 0.0025000 k( 155) = ( 0.0714289 0.0714289 0.5000000), wk = 0.0025000 k( 156) = ( 0.0642860 0.0642860 0.5000000), wk = 0.0025000 k( 157) = ( 0.0571431 0.0571431 0.5000000), wk = 0.0025000 k( 158) = ( 0.0500002 0.0500002 0.5000000), wk = 0.0025000 k( 159) = ( 0.0428573 0.0428573 0.5000000), wk = 0.0025000 k( 160) = ( 0.0357144 0.0357144 0.5000000), wk = 0.0025000 k( 161) = ( 0.0285716 0.0285715 0.5000000), wk = 0.0025000 k( 162) = ( 0.0214287 0.0214287 0.5000000), wk = 0.0025000 k( 163) = ( 0.0142858 0.0142858 0.5000000), wk = 0.0025000 k( 164) = ( 0.0071429 0.0071429 0.5000000), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025000 k( 185) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0025000 k( 186) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0025000 k( 187) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0025000 k( 188) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0025000 k( 189) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0025000 k( 190) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025000 k( 191) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0025000 k( 192) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0025000 k( 193) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025000 k( 194) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0025000 k( 195) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0025000 k( 196) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0025000 k( 197) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0025000 k( 198) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0025000 k( 199) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0025000 k( 200) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 204) = ( -0.0151515 0.0151515 0.0000000), wk = 0.0025000 k( 205) = ( -0.0303030 0.0303030 0.0000000), wk = 0.0025000 k( 206) = ( -0.0454546 0.0454546 -0.0000000), wk = 0.0025000 k( 207) = ( -0.0606061 0.0606061 0.0000000), wk = 0.0025000 k( 208) = ( -0.0757576 0.0757576 0.0000000), wk = 0.0025000 k( 209) = ( -0.0909091 0.0909091 -0.0000000), wk = 0.0025000 k( 210) = ( -0.1060606 0.1060606 0.0000000), wk = 0.0025000 k( 211) = ( -0.1212121 0.1212121 0.0000000), wk = 0.0025000 k( 212) = ( -0.1363636 0.1363636 0.0000000), wk = 0.0025000 k( 213) = ( -0.1515151 0.1515151 -0.0000000), wk = 0.0025000 k( 214) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0025000 k( 215) = ( -0.1818182 0.1818182 -0.0000000), wk = 0.0025000 k( 216) = ( -0.1969697 0.1969697 0.0000000), wk = 0.0025000 k( 217) = ( -0.2121212 0.2121212 0.0000000), wk = 0.0025000 k( 218) = ( -0.2272727 0.2272727 0.0000000), wk = 0.0025000 k( 219) = ( -0.2424242 0.2424242 0.0000000), wk = 0.0025000 k( 220) = ( -0.2575758 0.2575758 -0.0000000), wk = 0.0025000 k( 221) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0025000 k( 222) = ( -0.2878788 0.2878788 -0.0000000), wk = 0.0025000 k( 223) = ( -0.3030303 0.3030303 -0.0000000), wk = 0.0025000 k( 224) = ( -0.3181818 0.3181818 -0.0000000), wk = 0.0025000 k( 225) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0025000 k( 226) = ( -0.3484849 0.3484848 -0.0000000), wk = 0.0025000 k( 227) = ( -0.3636364 0.3636364 -0.0000000), wk = 0.0025000 k( 228) = ( -0.3787879 0.3787879 -0.0000000), wk = 0.0025000 k( 229) = ( -0.3939394 0.3939394 0.0000000), wk = 0.0025000 k( 230) = ( -0.4090909 0.4090909 0.0000000), wk = 0.0025000 k( 231) = ( -0.4242424 0.4242424 0.0000000), wk = 0.0025000 k( 232) = ( -0.4393939 0.4393939 0.0000000), wk = 0.0025000 k( 233) = ( -0.4545455 0.4545455 0.0000000), wk = 0.0025000 k( 234) = ( -0.4696970 0.4696970 0.0000000), wk = 0.0025000 k( 235) = ( -0.4848485 0.4848485 0.0000000), wk = 0.0025000 k( 236) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 237) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 238) = ( -0.4928572 0.5071428 -0.0000000), wk = 0.0025000 k( 239) = ( -0.4857144 0.5142856 -0.0000000), wk = 0.0025000 k( 240) = ( -0.4785716 0.5214284 -0.0000000), wk = 0.0025000 k( 241) = ( -0.4714288 0.5285712 0.0000000), wk = 0.0025000 k( 242) = ( -0.4642860 0.5357141 -0.0000000), wk = 0.0025000 k( 243) = ( -0.4571431 0.5428569 -0.0000000), wk = 0.0025000 k( 244) = ( -0.4500003 0.5499997 0.0000000), wk = 0.0025000 k( 245) = ( -0.4428575 0.5571425 0.0000000), wk = 0.0025000 k( 246) = ( -0.4357147 0.5642853 -0.0000000), wk = 0.0025000 k( 247) = ( -0.4285719 0.5714281 0.0000000), wk = 0.0025000 k( 248) = ( -0.4214291 0.5785709 -0.0000000), wk = 0.0025000 k( 249) = ( -0.4142863 0.5857137 0.0000000), wk = 0.0025000 k( 250) = ( -0.4071435 0.5928565 0.0000000), wk = 0.0025000 k( 251) = ( -0.4000007 0.5999993 0.0000000), wk = 0.0025000 k( 252) = ( -0.3928579 0.6071421 0.0000000), wk = 0.0025000 k( 253) = ( -0.3857151 0.6142850 0.0000000), wk = 0.0025000 k( 254) = ( -0.3785722 0.6214278 0.0000000), wk = 0.0025000 k( 255) = ( -0.3714294 0.6285706 0.0000000), wk = 0.0025000 k( 256) = ( -0.3642866 0.6357134 0.0000000), wk = 0.0025000 k( 257) = ( -0.3571438 0.6428562 0.0000000), wk = 0.0025000 k( 258) = ( -0.3500010 0.6499990 0.0000000), wk = 0.0025000 k( 259) = ( -0.3428582 0.6571418 0.0000000), wk = 0.0025000 k( 260) = ( -0.3357154 0.6642846 0.0000000), wk = 0.0025000 k( 261) = ( -0.3285726 0.6714274 -0.0000000), wk = 0.0025000 k( 262) = ( -0.3214298 0.6785702 -0.0000000), wk = 0.0025000 k( 263) = ( -0.3142870 0.6857130 0.0000000), wk = 0.0025000 k( 264) = ( -0.3071442 0.6928559 0.0000000), wk = 0.0025000 k( 265) = ( -0.3071442 0.6928559 0.0000000), wk = 0.0025000 k( 266) = ( -0.3071442 0.6928559 0.0138889), wk = 0.0025000 k( 267) = ( -0.3071442 0.6928559 0.0277778), wk = 0.0025000 k( 268) = ( -0.3071442 0.6928559 0.0416667), wk = 0.0025000 k( 269) = ( -0.3071442 0.6928559 0.0555556), wk = 0.0025000 k( 270) = ( -0.3071442 0.6928559 0.0694444), wk = 0.0025000 k( 271) = ( -0.3071442 0.6928559 0.0833333), wk = 0.0025000 k( 272) = ( -0.3071442 0.6928559 0.0972222), wk = 0.0025000 k( 273) = ( -0.3071442 0.6928559 0.1111111), wk = 0.0025000 k( 274) = ( -0.3071442 0.6928559 0.1250000), wk = 0.0025000 k( 275) = ( -0.3071442 0.6928559 0.1388889), wk = 0.0025000 k( 276) = ( -0.3071442 0.6928559 0.1527778), wk = 0.0025000 k( 277) = ( -0.3071442 0.6928559 0.1666667), wk = 0.0025000 k( 278) = ( -0.3071442 0.6928559 0.1805556), wk = 0.0025000 k( 279) = ( -0.3071442 0.6928559 0.1944444), wk = 0.0025000 k( 280) = ( -0.3071442 0.6928559 0.2083333), wk = 0.0025000 k( 281) = ( -0.3071442 0.6928559 0.2222222), wk = 0.0025000 k( 282) = ( -0.3071442 0.6928559 0.2361111), wk = 0.0025000 k( 283) = ( -0.3071442 0.6928559 0.2500000), wk = 0.0025000 k( 284) = ( -0.3071442 0.6928559 0.2638889), wk = 0.0025000 k( 285) = ( -0.3071442 0.6928559 0.2777778), wk = 0.0025000 k( 286) = ( -0.3071442 0.6928559 0.2916667), wk = 0.0025000 k( 287) = ( -0.3071442 0.6928559 0.3055556), wk = 0.0025000 k( 288) = ( -0.3071442 0.6928559 0.3194444), wk = 0.0025000 k( 289) = ( -0.3071442 0.6928559 0.3333333), wk = 0.0025000 k( 290) = ( -0.3071442 0.6928559 0.3472222), wk = 0.0025000 k( 291) = ( -0.3071442 0.6928559 0.3611111), wk = 0.0025000 k( 292) = ( -0.3071442 0.6928559 0.3750000), wk = 0.0025000 k( 293) = ( -0.3071442 0.6928559 0.3888889), wk = 0.0025000 k( 294) = ( -0.3071442 0.6928559 0.4027778), wk = 0.0025000 k( 295) = ( -0.3071442 0.6928559 0.4166667), wk = 0.0025000 k( 296) = ( -0.3071442 0.6928559 0.4305556), wk = 0.0025000 k( 297) = ( -0.3071442 0.6928559 0.4444444), wk = 0.0025000 k( 298) = ( -0.3071442 0.6928559 0.4583333), wk = 0.0025000 k( 299) = ( -0.3071442 0.6928559 0.4722222), wk = 0.0025000 k( 300) = ( -0.3071442 0.6928559 0.4861111), wk = 0.0025000 k( 301) = ( -0.3071442 0.6928559 0.5000000), wk = 0.0025000 k( 302) = ( -0.3071442 0.6928559 0.5000000), wk = 0.0025000 k( 303) = ( -0.3142870 0.6857130 0.5000000), wk = 0.0025000 k( 304) = ( -0.3214298 0.6785702 0.5000000), wk = 0.0025000 k( 305) = ( -0.3285726 0.6714274 0.5000000), wk = 0.0025000 k( 306) = ( -0.3357154 0.6642846 0.5000000), wk = 0.0025000 k( 307) = ( -0.3428582 0.6571418 0.5000000), wk = 0.0025000 k( 308) = ( -0.3500010 0.6499990 0.5000000), wk = 0.0025000 k( 309) = ( -0.3571438 0.6428562 0.5000000), wk = 0.0025000 k( 310) = ( -0.3642866 0.6357134 0.5000000), wk = 0.0025000 k( 311) = ( -0.3714294 0.6285706 0.5000000), wk = 0.0025000 k( 312) = ( -0.3785722 0.6214278 0.5000000), wk = 0.0025000 k( 313) = ( -0.3857151 0.6142850 0.5000000), wk = 0.0025000 k( 314) = ( -0.3928579 0.6071421 0.5000000), wk = 0.0025000 k( 315) = ( -0.4000007 0.5999993 0.5000000), wk = 0.0025000 k( 316) = ( -0.4071435 0.5928565 0.5000000), wk = 0.0025000 k( 317) = ( -0.4142863 0.5857137 0.5000000), wk = 0.0025000 k( 318) = ( -0.4214291 0.5785709 0.5000000), wk = 0.0025000 k( 319) = ( -0.4285719 0.5714281 0.5000000), wk = 0.0025000 k( 320) = ( -0.4357147 0.5642853 0.5000000), wk = 0.0025000 k( 321) = ( -0.4428575 0.5571425 0.5000000), wk = 0.0025000 k( 322) = ( -0.4500003 0.5499997 0.5000000), wk = 0.0025000 k( 323) = ( -0.4571431 0.5428569 0.5000000), wk = 0.0025000 k( 324) = ( -0.4642860 0.5357141 0.5000000), wk = 0.0025000 k( 325) = ( -0.4714288 0.5285712 0.5000000), wk = 0.0025000 k( 326) = ( -0.4785716 0.5214284 0.5000000), wk = 0.0025000 k( 327) = ( -0.4857144 0.5142856 0.5000000), wk = 0.0025000 k( 328) = ( -0.4928572 0.5071428 0.5000000), wk = 0.0025000 k( 329) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 330) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 331) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0025000 k( 332) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0025000 k( 333) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0025000 k( 334) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0025000 k( 335) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0025000 k( 336) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0025000 k( 337) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0025000 k( 338) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0025000 k( 339) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0025000 k( 340) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0025000 k( 341) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0025000 k( 342) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0025000 k( 343) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0025000 k( 344) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0025000 k( 345) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0025000 k( 346) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0025000 k( 347) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0025000 k( 348) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025000 k( 349) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0025000 k( 350) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0025000 k( 351) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0025000 k( 352) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0025000 k( 353) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0025000 k( 354) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0025000 k( 355) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0025000 k( 356) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0025000 k( 357) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0025000 k( 358) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0025000 k( 359) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0025000 k( 360) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0025000 k( 361) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0025000 k( 362) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0025000 k( 363) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0025000 k( 364) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0025000 k( 365) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0025000 k( 366) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 367) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 368) = ( -0.0151515 0.0151515 0.5000000), wk = 0.0025000 k( 369) = ( -0.0303030 0.0303030 0.5000000), wk = 0.0025000 k( 370) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0025000 k( 371) = ( -0.0606061 0.0606061 0.5000000), wk = 0.0025000 k( 372) = ( -0.0757576 0.0757576 0.5000000), wk = 0.0025000 k( 373) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0025000 k( 374) = ( -0.1060606 0.1060606 0.5000000), wk = 0.0025000 k( 375) = ( -0.1212121 0.1212121 0.5000000), wk = 0.0025000 k( 376) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0025000 k( 377) = ( -0.1515151 0.1515151 0.5000000), wk = 0.0025000 k( 378) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0025000 k( 379) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0025000 k( 380) = ( -0.1969697 0.1969697 0.5000000), wk = 0.0025000 k( 381) = ( -0.2121212 0.2121212 0.5000000), wk = 0.0025000 k( 382) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0025000 k( 383) = ( -0.2424242 0.2424242 0.5000000), wk = 0.0025000 k( 384) = ( -0.2575758 0.2575758 0.5000000), wk = 0.0025000 k( 385) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0025000 k( 386) = ( -0.2878788 0.2878788 0.5000000), wk = 0.0025000 k( 387) = ( -0.3030303 0.3030303 0.5000000), wk = 0.0025000 k( 388) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0025000 k( 389) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0025000 k( 390) = ( -0.3484849 0.3484848 0.5000000), wk = 0.0025000 k( 391) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0025000 k( 392) = ( -0.3787879 0.3787879 0.5000000), wk = 0.0025000 k( 393) = ( -0.3939394 0.3939394 0.5000000), wk = 0.0025000 k( 394) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0025000 k( 395) = ( -0.4242424 0.4242424 0.5000000), wk = 0.0025000 k( 396) = ( -0.4393939 0.4393939 0.5000000), wk = 0.0025000 k( 397) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0025000 k( 398) = ( -0.4696970 0.4696970 0.5000000), wk = 0.0025000 k( 399) = ( -0.4848485 0.4848485 0.5000000), wk = 0.0025000 k( 400) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 63353 G-vectors FFT dimensions: ( 60, 60, 48) Smooth grid: 30615 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 174, 46) NL pseudopotentials 0.16 Mb ( 87, 124) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1320) G-vector shells 0.01 Mb ( 659) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 174, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.17 Mb ( 124, 2, 46) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Li2Ga.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.2 secs Computing kpt #: 2 total cpu time spent up to now is 45.0 secs Computing kpt #: 3 total cpu time spent up to now is 47.1 secs Computing kpt #: 4 total cpu time spent up to now is 48.2 secs Computing kpt #: 5 total cpu time spent up to now is 49.3 secs Computing kpt #: 6 total cpu time spent up to now is 50.4 secs Computing kpt #: 7 total cpu time spent up to now is 51.5 secs Computing kpt #: 8 total cpu time spent up to now is 52.5 secs Computing kpt #: 9 total cpu time spent up to now is 53.6 secs Computing kpt #: 10 total cpu time spent up to now is 54.7 secs Computing kpt #: 11 total cpu time spent up to now is 55.9 secs Computing kpt #: 12 total cpu time spent up to now is 57.2 secs Computing kpt #: 13 total cpu time spent up to now is 58.7 secs Computing kpt #: 14 total cpu time spent up to now is 60.1 secs Computing kpt #: 15 total cpu time spent up to now is 61.9 secs Computing kpt #: 16 total cpu time spent up to now is 64.2 secs Computing kpt #: 17 total cpu time spent up to now is 66.1 secs Computing kpt #: 18 total cpu time spent up to now is 68.1 secs Computing kpt #: 19 total cpu time spent up to now is 70.0 secs Computing kpt #: 20 total cpu time spent up to now is 71.9 secs Computing kpt #: 21 total cpu time spent up to now is 73.5 secs Computing kpt #: 22 total cpu time spent up to now is 74.9 secs Computing kpt #: 23 total cpu time spent up to now is 76.3 secs Computing kpt #: 24 total cpu time spent up to now is 77.7 secs Computing kpt #: 25 total cpu time spent up to now is 79.2 secs Computing kpt #: 26 total cpu time spent up to now is 80.6 secs Computing kpt #: 27 total cpu time spent up to now is 82.2 secs Computing kpt #: 28 total cpu time spent up to now is 83.6 secs Computing kpt #: 29 total cpu time spent up to now is 84.9 secs Computing kpt #: 30 total cpu time spent up to now is 86.2 secs Computing kpt #: 31 total cpu time spent up to now is 87.7 secs Computing kpt #: 32 total cpu time spent up to now is 89.1 secs Computing kpt #: 33 total cpu time spent up to now is 90.5 secs Computing kpt #: 34 total cpu time spent up to now is 93.5 secs Computing kpt #: 35 total cpu time spent up to now is 95.1 secs Computing kpt #: 36 total cpu time spent up to now is 96.9 secs Computing kpt #: 37 total cpu time spent up to now is 99.0 secs Computing kpt #: 38 total cpu time spent up to now is 100.2 secs Computing kpt #: 39 total cpu time spent up to now is 101.3 secs Computing kpt #: 40 total cpu time spent up to now is 102.5 secs Computing kpt #: 41 total cpu time spent up to now is 103.6 secs Computing kpt #: 42 total cpu time spent up to now is 104.9 secs Computing kpt #: 43 total cpu time spent up to now is 106.3 secs Computing kpt #: 44 total cpu time spent up to now is 107.5 secs Computing kpt #: 45 total cpu time spent up to now is 108.9 secs Computing kpt #: 46 total cpu time spent up to now is 110.1 secs Computing kpt #: 47 total cpu time spent up to now is 111.5 secs Computing kpt #: 48 total cpu time spent up to now is 112.7 secs Computing kpt #: 49 total cpu time spent up to now is 114.1 secs Computing kpt #: 50 total cpu time spent up to now is 115.4 secs Computing kpt #: 51 total cpu time spent up to now is 116.7 secs Computing kpt #: 52 total cpu time spent up to now is 118.0 secs Computing kpt #: 53 total cpu time spent up to now is 119.3 secs Computing kpt #: 54 total cpu time spent up to now is 120.6 secs Computing kpt #: 55 total cpu time spent up to now is 122.1 secs Computing kpt #: 56 total cpu time spent up to now is 123.7 secs Computing kpt #: 57 total cpu time spent up to now is 125.4 secs Computing kpt #: 58 total cpu time spent up to now is 127.2 secs Computing kpt #: 59 total cpu time spent up to now is 128.8 secs Computing kpt #: 60 total cpu time spent up to now is 130.3 secs Computing kpt #: 61 total cpu time spent up to now is 131.7 secs Computing kpt #: 62 total cpu time spent up to now is 133.6 secs Computing kpt #: 63 total cpu time spent up to now is 135.1 secs Computing kpt #: 64 total cpu time spent up to now is 136.4 secs Computing kpt #: 65 total cpu time spent up to now is 137.7 secs Computing kpt #: 66 total cpu time spent up to now is 139.0 secs Computing kpt #: 67 total cpu time spent up to now is 140.3 secs Computing kpt #: 68 total cpu time spent up to now is 141.8 secs Computing kpt #: 69 total cpu time spent up to now is 143.5 secs Computing kpt #: 70 total cpu time spent up to now is 145.1 secs Computing kpt #: 71 total cpu time spent up to now is 146.6 secs Computing kpt #: 72 total cpu time spent up to now is 148.2 secs Computing kpt #: 73 total cpu time spent up to now is 149.9 secs Computing kpt #: 74 total cpu time spent up to now is 151.8 secs Computing kpt #: 75 total cpu time spent up to now is 153.5 secs Computing kpt #: 76 total cpu time spent up to now is 155.5 secs Computing kpt #: 77 total cpu time spent up to now is 157.3 secs Computing kpt #: 78 total cpu time spent up to now is 159.1 secs Computing kpt #: 79 total cpu time spent up to now is 160.8 secs Computing kpt #: 80 total cpu time spent up to now is 162.5 secs Computing kpt #: 81 total cpu time spent up to now is 164.4 secs Computing kpt #: 82 total cpu time spent up to now is 165.8 secs Computing kpt #: 83 total cpu time spent up to now is 167.4 secs Computing kpt #: 84 total cpu time spent up to now is 168.9 secs Computing kpt #: 85 total cpu time spent up to now is 170.3 secs Computing kpt #: 86 total cpu time spent up to now is 171.7 secs Computing kpt #: 87 total cpu time spent up to now is 173.2 secs Computing kpt #: 88 total cpu time spent up to now is 174.5 secs Computing kpt #: 89 total cpu time spent up to now is 176.3 secs Computing kpt #: 90 total cpu time spent up to now is 178.4 secs Computing kpt #: 91 total cpu time spent up to now is 180.0 secs Computing kpt #: 92 total cpu time spent up to now is 181.5 secs Computing kpt #: 93 total cpu time spent up to now is 183.2 secs Computing kpt #: 94 total cpu time spent up to now is 184.7 secs Computing kpt #: 95 total cpu time spent up to now is 186.3 secs Computing kpt #: 96 total cpu time spent up to now is 187.9 secs Computing kpt #: 97 total cpu time spent up to now is 189.6 secs Computing kpt #: 98 total cpu time spent up to now is 191.2 secs Computing kpt #: 99 total cpu time spent up to now is 193.1 secs Computing kpt #: 100 total cpu time spent up to now is 194.9 secs Computing kpt #: 101 total cpu time spent up to now is 196.4 secs Computing kpt #: 102 total cpu time spent up to now is 198.1 secs Computing kpt #: 103 total cpu time spent up to now is 200.8 secs Computing kpt #: 104 total cpu time spent up to now is 203.4 secs Computing kpt #: 105 total cpu time spent up to now is 205.5 secs Computing kpt #: 106 total cpu time spent up to now is 207.4 secs Computing kpt #: 107 total cpu time spent up to now is 209.1 secs Computing kpt #: 108 total cpu time spent up to now is 210.8 secs Computing kpt #: 109 total cpu time spent up to now is 212.5 secs Computing kpt #: 110 total cpu time spent up to now is 214.3 secs Computing kpt #: 111 total cpu time spent up to now is 216.0 secs Computing kpt #: 112 total cpu time spent up to now is 217.6 secs Computing kpt #: 113 total cpu time spent up to now is 219.2 secs Computing kpt #: 114 total cpu time spent up to now is 220.9 secs Computing kpt #: 115 total cpu time spent up to now is 222.6 secs Computing kpt #: 116 total cpu time spent up to now is 224.3 secs Computing kpt #: 117 total cpu time spent up to now is 225.9 secs Computing kpt #: 118 total cpu time spent up to now is 227.6 secs Computing kpt #: 119 total cpu time spent up to now is 229.2 secs Computing kpt #: 120 total cpu time spent up to now is 230.8 secs Computing kpt #: 121 total cpu time spent up to now is 232.5 secs Computing kpt #: 122 total cpu time spent up to now is 234.3 secs Computing kpt #: 123 total cpu time spent up to now is 236.0 secs Computing kpt #: 124 total cpu time spent up to now is 238.0 secs Computing kpt #: 125 total cpu time spent up to now is 239.8 secs Computing kpt #: 126 total cpu time spent up to now is 241.4 secs Computing kpt #: 127 total cpu time spent up to now is 243.0 secs Computing kpt #: 128 total cpu time spent up to now is 244.8 secs Computing kpt #: 129 total cpu time spent up to now is 246.5 secs Computing kpt #: 130 total cpu time spent up to now is 248.2 secs Computing kpt #: 131 total cpu time spent up to now is 249.7 secs Computing kpt #: 132 total cpu time spent up to now is 251.6 secs Computing kpt #: 133 total cpu time spent up to now is 253.2 secs Computing kpt #: 134 total cpu time spent up to now is 254.9 secs Computing kpt #: 135 total cpu time spent up to now is 256.8 secs Computing kpt #: 136 total cpu time spent up to now is 258.3 secs Computing kpt #: 137 total cpu time spent up to now is 259.9 secs Computing kpt #: 138 total cpu time spent up to now is 262.5 secs Computing kpt #: 139 total cpu time spent up to now is 264.2 secs Computing kpt #: 140 total cpu time spent up to now is 265.8 secs Computing kpt #: 141 total cpu time spent up to now is 267.9 secs Computing kpt #: 142 total cpu time spent up to now is 269.8 secs Computing kpt #: 143 total cpu time spent up to now is 271.4 secs Computing kpt #: 144 total cpu time spent up to now is 273.5 secs Computing kpt #: 145 total cpu time spent up to now is 275.2 secs Computing kpt #: 146 total cpu time spent up to now is 277.1 secs Computing kpt #: 147 total cpu time spent up to now is 278.7 secs Computing kpt #: 148 total cpu time spent up to now is 280.4 secs Computing kpt #: 149 total cpu time spent up to now is 282.5 secs Computing kpt #: 150 total cpu time spent up to now is 284.5 secs Computing kpt #: 151 total cpu time spent up to now is 286.3 secs Computing kpt #: 152 total cpu time spent up to now is 288.0 secs Computing kpt #: 153 total cpu time spent up to now is 289.9 secs Computing kpt #: 154 total cpu time spent up to now is 291.7 secs Computing kpt #: 155 total cpu time spent up to now is 293.5 secs Computing kpt #: 156 total cpu time spent up to now is 295.3 secs Computing kpt #: 157 total cpu time spent up to now is 297.3 secs Computing kpt #: 158 total cpu time spent up to now is 300.1 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.1 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.3 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.7 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.9 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.4 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.5 secs Computing kpt #: 165 total cpu time spent up to now is 321.4 secs Computing kpt #: 166 total cpu time spent up to now is 323.4 secs Computing kpt #: 167 total cpu time spent up to now is 325.2 secs Computing kpt #: 168 total cpu time spent up to now is 327.2 secs Computing kpt #: 169 total cpu time spent up to now is 329.1 secs Computing kpt #: 170 total cpu time spent up to now is 330.6 secs Computing kpt #: 171 total cpu time spent up to now is 332.4 secs Computing kpt #: 172 total cpu time spent up to now is 334.2 secs Computing kpt #: 173 total cpu time spent up to now is 336.4 secs Computing kpt #: 174 total cpu time spent up to now is 339.1 secs Computing kpt #: 175 total cpu time spent up to now is 340.9 secs Computing kpt #: 176 total cpu time spent up to now is 342.6 secs Computing kpt #: 177 total cpu time spent up to now is 344.0 secs Computing kpt #: 178 total cpu time spent up to now is 345.5 secs Computing kpt #: 179 total cpu time spent up to now is 346.8 secs Computing kpt #: 180 total cpu time spent up to now is 348.2 secs Computing kpt #: 181 total cpu time spent up to now is 349.6 secs Computing kpt #: 182 total cpu time spent up to now is 351.2 secs Computing kpt #: 183 total cpu time spent up to now is 352.7 secs Computing kpt #: 184 total cpu time spent up to now is 354.2 secs Computing kpt #: 185 total cpu time spent up to now is 356.1 secs Computing kpt #: 186 total cpu time spent up to now is 357.9 secs Computing kpt #: 187 total cpu time spent up to now is 359.4 secs Computing kpt #: 188 total cpu time spent up to now is 361.0 secs Computing kpt #: 189 total cpu time spent up to now is 362.4 secs Computing kpt #: 190 total cpu time spent up to now is 363.8 secs Computing kpt #: 191 total cpu time spent up to now is 365.1 secs Computing kpt #: 192 total cpu time spent up to now is 366.4 secs Computing kpt #: 193 total cpu time spent up to now is 367.7 secs Computing kpt #: 194 total cpu time spent up to now is 368.8 secs Computing kpt #: 195 total cpu time spent up to now is 370.2 secs Computing kpt #: 196 total cpu time spent up to now is 371.5 secs Computing kpt #: 197 total cpu time spent up to now is 372.6 secs Computing kpt #: 198 total cpu time spent up to now is 373.7 secs Computing kpt #: 199 total cpu time spent up to now is 374.9 secs Computing kpt #: 200 total cpu time spent up to now is 376.1 secs Computing kpt #: 201 total cpu time spent up to now is 377.1 secs Computing kpt #: 202 total cpu time spent up to now is 378.2 secs Computing kpt #: 203 total cpu time spent up to now is 379.3 secs Computing kpt #: 204 total cpu time spent up to now is 380.6 secs Computing kpt #: 205 total cpu time spent up to now is 381.8 secs Computing kpt #: 206 total cpu time spent up to now is 382.9 secs Computing kpt #: 207 total cpu time spent up to now is 384.0 secs Computing kpt #: 208 total cpu time spent up to now is 385.4 secs Computing kpt #: 209 total cpu time spent up to now is 386.6 secs Computing kpt #: 210 total cpu time spent up to now is 387.8 secs Computing kpt #: 211 total cpu time spent up to now is 389.0 secs Computing kpt #: 212 total cpu time spent up to now is 390.4 secs Computing kpt #: 213 total cpu time spent up to now is 391.8 secs Computing kpt #: 214 total cpu time spent up to now is 393.2 secs Computing kpt #: 215 total cpu time spent up to now is 395.6 secs Computing kpt #: 216 total cpu time spent up to now is 397.5 secs Computing kpt #: 217 total cpu time spent up to now is 398.9 secs Computing kpt #: 218 total cpu time spent up to now is 400.2 secs Computing kpt #: 219 total cpu time spent up to now is 401.5 secs Computing kpt #: 220 total cpu time spent up to now is 402.6 secs Computing kpt #: 221 total cpu time spent up to now is 403.8 secs Computing kpt #: 222 total cpu time spent up to now is 405.3 secs Computing kpt #: 223 total cpu time spent up to now is 406.5 secs Computing kpt #: 224 total cpu time spent up to now is 408.3 secs Computing kpt #: 225 total cpu time spent up to now is 409.6 secs Computing kpt #: 226 total cpu time spent up to now is 410.8 secs Computing kpt #: 227 total cpu time spent up to now is 412.4 secs Computing kpt #: 228 total cpu time spent up to now is 414.8 secs Computing kpt #: 229 total cpu time spent up to now is 416.2 secs Computing kpt #: 230 total cpu time spent up to now is 417.7 secs Computing kpt #: 231 total cpu time spent up to now is 419.0 secs Computing kpt #: 232 total cpu time spent up to now is 420.6 secs Computing kpt #: 233 total cpu time spent up to now is 422.0 secs Computing kpt #: 234 total cpu time spent up to now is 423.3 secs Computing kpt #: 235 total cpu time spent up to now is 425.0 secs Computing kpt #: 236 total cpu time spent up to now is 426.3 secs Computing kpt #: 237 total cpu time spent up to now is 427.5 secs Computing kpt #: 238 total cpu time spent up to now is 429.0 secs Computing kpt #: 239 total cpu time spent up to now is 430.4 secs Computing kpt #: 240 total cpu time spent up to now is 431.7 secs Computing kpt #: 241 total cpu time spent up to now is 433.2 secs Computing kpt #: 242 total cpu time spent up to now is 434.5 secs Computing kpt #: 243 total cpu time spent up to now is 435.8 secs Computing kpt #: 244 total cpu time spent up to now is 437.1 secs Computing kpt #: 245 total cpu time spent up to now is 438.4 secs Computing kpt #: 246 total cpu time spent up to now is 439.6 secs Computing kpt #: 247 total cpu time spent up to now is 441.0 secs Computing kpt #: 248 total cpu time spent up to now is 442.5 secs Computing kpt #: 249 total cpu time spent up to now is 444.4 secs Computing kpt #: 250 total cpu time spent up to now is 445.5 secs Computing kpt #: 251 total cpu time spent up to now is 446.7 secs Computing kpt #: 252 total cpu time spent up to now is 448.5 secs Computing kpt #: 253 total cpu time spent up to now is 450.0 secs Computing kpt #: 254 total cpu time spent up to now is 451.9 secs Computing kpt #: 255 total cpu time spent up to now is 453.9 secs Computing kpt #: 256 total cpu time spent up to now is 455.4 secs Computing kpt #: 257 total cpu time spent up to now is 456.9 secs Computing kpt #: 258 total cpu time spent up to now is 458.3 secs Computing kpt #: 259 total cpu time spent up to now is 459.7 secs Computing kpt #: 260 total cpu time spent up to now is 461.3 secs Computing kpt #: 261 total cpu time spent up to now is 462.7 secs Computing kpt #: 262 total cpu time spent up to now is 464.0 secs Computing kpt #: 263 total cpu time spent up to now is 465.3 secs Computing kpt #: 264 total cpu time spent up to now is 466.4 secs Computing kpt #: 265 total cpu time spent up to now is 467.7 secs Computing kpt #: 266 total cpu time spent up to now is 469.2 secs Computing kpt #: 267 total cpu time spent up to now is 471.0 secs Computing kpt #: 268 total cpu time spent up to now is 473.1 secs Computing kpt #: 269 total cpu time spent up to now is 474.4 secs Computing kpt #: 270 total cpu time spent up to now is 475.7 secs Computing kpt #: 271 total cpu time spent up to now is 477.0 secs Computing kpt #: 272 total cpu time spent up to now is 479.0 secs Computing kpt #: 273 total cpu time spent up to now is 480.1 secs Computing kpt #: 274 total cpu time spent up to now is 481.2 secs Computing kpt #: 275 total cpu time spent up to now is 482.5 secs Computing kpt #: 276 total cpu time spent up to now is 484.1 secs Computing kpt #: 277 total cpu time spent up to now is 485.3 secs Computing kpt #: 278 total cpu time spent up to now is 486.4 secs Computing kpt #: 279 total cpu time spent up to now is 487.5 secs Computing kpt #: 280 total cpu time spent up to now is 488.6 secs Computing kpt #: 281 total cpu time spent up to now is 489.9 secs Computing kpt #: 282 total cpu time spent up to now is 491.3 secs Computing kpt #: 283 total cpu time spent up to now is 492.6 secs Computing kpt #: 284 total cpu time spent up to now is 494.0 secs Computing kpt #: 285 total cpu time spent up to now is 495.6 secs Computing kpt #: 286 total cpu time spent up to now is 497.2 secs Computing kpt #: 287 total cpu time spent up to now is 498.7 secs Computing kpt #: 288 total cpu time spent up to now is 500.1 secs Computing kpt #: 289 total cpu time spent up to now is 501.6 secs Computing kpt #: 290 total cpu time spent up to now is 503.2 secs Computing kpt #: 291 total cpu time spent up to now is 504.4 secs Computing kpt #: 292 total cpu time spent up to now is 505.7 secs Computing kpt #: 293 total cpu time spent up to now is 506.9 secs Computing kpt #: 294 total cpu time spent up to now is 508.3 secs Computing kpt #: 295 total cpu time spent up to now is 509.8 secs Computing kpt #: 296 total cpu time spent up to now is 511.1 secs Computing kpt #: 297 total cpu time spent up to now is 512.4 secs Computing kpt #: 298 total cpu time spent up to now is 513.9 secs Computing kpt #: 299 total cpu time spent up to now is 515.4 secs Computing kpt #: 300 total cpu time spent up to now is 516.9 secs Computing kpt #: 301 total cpu time spent up to now is 518.4 secs Computing kpt #: 302 total cpu time spent up to now is 520.3 secs Computing kpt #: 303 total cpu time spent up to now is 522.0 secs Computing kpt #: 304 total cpu time spent up to now is 523.7 secs Computing kpt #: 305 total cpu time spent up to now is 525.3 secs Computing kpt #: 306 total cpu time spent up to now is 528.1 secs Computing kpt #: 307 total cpu time spent up to now is 530.3 secs Computing kpt #: 308 total cpu time spent up to now is 532.1 secs Computing kpt #: 309 total cpu time spent up to now is 534.9 secs Computing kpt #: 310 total cpu time spent up to now is 537.3 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 540.3 secs Computing kpt #: 312 total cpu time spent up to now is 542.2 secs Computing kpt #: 313 total cpu time spent up to now is 544.8 secs Computing kpt #: 314 total cpu time spent up to now is 546.7 secs Computing kpt #: 315 total cpu time spent up to now is 548.6 secs Computing kpt #: 316 total cpu time spent up to now is 550.4 secs Computing kpt #: 317 total cpu time spent up to now is 552.8 secs Computing kpt #: 318 total cpu time spent up to now is 554.7 secs Computing kpt #: 319 total cpu time spent up to now is 556.5 secs Computing kpt #: 320 total cpu time spent up to now is 558.3 secs Computing kpt #: 321 total cpu time spent up to now is 560.2 secs Computing kpt #: 322 total cpu time spent up to now is 562.0 secs Computing kpt #: 323 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 565.2 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 568.2 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 571.3 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 574.5 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 577.6 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 581.4 secs Computing kpt #: 329 total cpu time spent up to now is 583.7 secs Computing kpt #: 330 total cpu time spent up to now is 585.6 secs Computing kpt #: 331 total cpu time spent up to now is 587.4 secs Computing kpt #: 332 total cpu time spent up to now is 589.3 secs Computing kpt #: 333 total cpu time spent up to now is 591.0 secs Computing kpt #: 334 total cpu time spent up to now is 592.5 secs Computing kpt #: 335 total cpu time spent up to now is 594.0 secs Computing kpt #: 336 total cpu time spent up to now is 596.1 secs Computing kpt #: 337 total cpu time spent up to now is 597.5 secs Computing kpt #: 338 total cpu time spent up to now is 599.0 secs Computing kpt #: 339 total cpu time spent up to now is 600.6 secs Computing kpt #: 340 total cpu time spent up to now is 602.5 secs Computing kpt #: 341 total cpu time spent up to now is 604.0 secs Computing kpt #: 342 total cpu time spent up to now is 605.5 secs Computing kpt #: 343 total cpu time spent up to now is 606.9 secs Computing kpt #: 344 total cpu time spent up to now is 608.4 secs Computing kpt #: 345 total cpu time spent up to now is 610.2 secs Computing kpt #: 346 total cpu time spent up to now is 612.0 secs Computing kpt #: 347 total cpu time spent up to now is 614.0 secs Computing kpt #: 348 total cpu time spent up to now is 615.8 secs Computing kpt #: 349 total cpu time spent up to now is 617.4 secs Computing kpt #: 350 total cpu time spent up to now is 619.2 secs Computing kpt #: 351 total cpu time spent up to now is 621.1 secs Computing kpt #: 352 total cpu time spent up to now is 623.2 secs Computing kpt #: 353 total cpu time spent up to now is 624.7 secs Computing kpt #: 354 total cpu time spent up to now is 626.0 secs Computing kpt #: 355 total cpu time spent up to now is 627.2 secs Computing kpt #: 356 total cpu time spent up to now is 628.5 secs Computing kpt #: 357 total cpu time spent up to now is 629.9 secs Computing kpt #: 358 total cpu time spent up to now is 631.2 secs Computing kpt #: 359 total cpu time spent up to now is 632.5 secs Computing kpt #: 360 total cpu time spent up to now is 633.7 secs Computing kpt #: 361 total cpu time spent up to now is 635.0 secs Computing kpt #: 362 total cpu time spent up to now is 636.3 secs Computing kpt #: 363 total cpu time spent up to now is 637.8 secs Computing kpt #: 364 total cpu time spent up to now is 639.1 secs Computing kpt #: 365 total cpu time spent up to now is 641.3 secs Computing kpt #: 366 total cpu time spent up to now is 642.6 secs Computing kpt #: 367 total cpu time spent up to now is 644.6 secs Computing kpt #: 368 total cpu time spent up to now is 646.4 secs Computing kpt #: 369 total cpu time spent up to now is 648.5 secs Computing kpt #: 370 total cpu time spent up to now is 650.0 secs Computing kpt #: 371 total cpu time spent up to now is 651.5 secs Computing kpt #: 372 total cpu time spent up to now is 653.0 secs Computing kpt #: 373 total cpu time spent up to now is 654.3 secs Computing kpt #: 374 total cpu time spent up to now is 656.0 secs Computing kpt #: 375 total cpu time spent up to now is 657.8 secs Computing kpt #: 376 total cpu time spent up to now is 659.1 secs Computing kpt #: 377 total cpu time spent up to now is 660.5 secs Computing kpt #: 378 total cpu time spent up to now is 661.9 secs Computing kpt #: 379 total cpu time spent up to now is 663.9 secs Computing kpt #: 380 total cpu time spent up to now is 665.7 secs Computing kpt #: 381 total cpu time spent up to now is 667.3 secs Computing kpt #: 382 total cpu time spent up to now is 668.7 secs Computing kpt #: 383 total cpu time spent up to now is 670.3 secs Computing kpt #: 384 total cpu time spent up to now is 671.6 secs Computing kpt #: 385 total cpu time spent up to now is 673.0 secs Computing kpt #: 386 total cpu time spent up to now is 674.3 secs Computing kpt #: 387 total cpu time spent up to now is 675.6 secs Computing kpt #: 388 total cpu time spent up to now is 676.9 secs Computing kpt #: 389 total cpu time spent up to now is 678.2 secs Computing kpt #: 390 total cpu time spent up to now is 679.9 secs Computing kpt #: 391 total cpu time spent up to now is 681.2 secs Computing kpt #: 392 total cpu time spent up to now is 682.5 secs Computing kpt #: 393 total cpu time spent up to now is 683.8 secs Computing kpt #: 394 total cpu time spent up to now is 685.1 secs Computing kpt #: 395 total cpu time spent up to now is 686.4 secs Computing kpt #: 396 total cpu time spent up to now is 688.2 secs Computing kpt #: 397 total cpu time spent up to now is 690.2 secs Computing kpt #: 398 total cpu time spent up to now is 692.2 secs Computing kpt #: 399 total cpu time spent up to now is 694.7 secs Computing kpt #: 400 total cpu time spent up to now is 696.6 secs ethr = 2.63E-11, avg # of iterations = 37.0 total cpu time spent up to now is 696.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7232 -9.7232 -9.7154 -9.7154 -9.7086 -9.7086 -9.3197 -9.3197 -9.3025 -9.3025 -9.2405 -9.2405 -9.2173 -9.2173 -9.1776 -9.1776 -9.1630 -9.1630 -3.2458 -3.2458 1.9639 1.9639 3.6399 3.6399 3.9817 3.9817 4.5606 4.5606 5.8993 5.8993 6.6640 6.6640 7.4199 7.4199 7.9236 7.9236 k = 0.0071 0.0149-0.0000 ( 3843 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7232 -9.7232 -9.7154 -9.7154 -9.7086 -9.7086 -9.3198 -9.3198 -9.3025 -9.3025 -9.2405 -9.2405 -9.2173 -9.2173 -9.1776 -9.1776 -9.1631 -9.1631 -3.2451 -3.2451 1.9639 1.9639 3.6411 3.6411 3.9777 3.9777 4.5569 4.5569 5.8896 5.8896 6.6638 6.6638 7.4316 7.4316 7.9370 7.9370 k = 0.0143 0.0299-0.0000 ( 3839 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7232 -9.7232 -9.7153 -9.7153 -9.7086 -9.7086 -9.3197 -9.3197 -9.3025 -9.3025 -9.2405 -9.2405 -9.2172 -9.2172 -9.1776 -9.1776 -9.1630 -9.1630 -3.2430 -3.2430 1.9640 1.9640 3.6448 3.6448 3.9655 3.9655 4.5467 4.5467 5.8611 5.8611 6.6634 6.6634 7.4662 7.4662 7.9765 7.9765 k = 0.0214 0.0448-0.0000 ( 3845 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7231 -9.7231 -9.7154 -9.7154 -9.7086 -9.7086 -9.3197 -9.3197 -9.3026 -9.3026 -9.2405 -9.2405 -9.2172 -9.2172 -9.1777 -9.1777 -9.1631 -9.1631 -3.2397 -3.2397 1.9641 1.9641 3.6508 3.6508 3.9443 3.9443 4.5316 4.5316 5.8162 5.8162 6.6626 6.6626 7.5227 7.5227 8.0399 8.0399 k = 0.0286 0.0598-0.0000 ( 3849 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7231 -9.7231 -9.7154 -9.7154 -9.7087 -9.7087 -9.3197 -9.3197 -9.3026 -9.3026 -9.2405 -9.2405 -9.2171 -9.2171 -9.1777 -9.1777 -9.1631 -9.1631 -3.2350 -3.2350 1.9642 1.9642 3.6593 3.6593 3.9134 3.9134 4.5143 4.5143 5.7578 5.7578 6.6616 6.6616 7.5994 7.5994 8.1242 8.1242 k = 0.0357 0.0747-0.0000 ( 3845 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0692 -41.0692 -9.7704 -9.7704 -9.7230 -9.7230 -9.7153 -9.7153 -9.7087 -9.7087 -9.3197 -9.3197 -9.3026 -9.3026 -9.2404 -9.2404 -9.2170 -9.2170 -9.1777 -9.1777 -9.1631 -9.1631 -3.2289 -3.2289 1.9641 1.9641 3.6699 3.6699 3.8721 3.8721 4.4975 4.4975 5.6890 5.6890 6.6602 6.6602 7.6944 7.6944 8.2263 8.2263 k = 0.0429 0.0896-0.0000 ( 3841 PWs) bands (ev): -41.2950 -41.2950 -41.2736 -41.2736 -41.0756 -41.0756 -41.0692 -41.0692 -9.7704 -9.7704 -9.7229 -9.7229 -9.7153 -9.7153 -9.7087 -9.7087 -9.3197 -9.3197 -9.3026 -9.3026 -9.2403 -9.2403 -9.2169 -9.2169 -9.1776 -9.1776 -9.1631 -9.1631 -3.2216 -3.2216 1.9638 1.9638 3.6822 3.6822 3.8207 3.8207 4.4832 4.4832 5.6129 5.6129 6.6586 6.6586 7.8057 7.8057 8.3433 8.3433 k = 0.0500 0.1046-0.0000 ( 3841 PWs) bands (ev): -41.2950 -41.2950 -41.2736 -41.2736 -41.0756 -41.0756 -41.0693 -41.0693 -9.7703 -9.7703 -9.7228 -9.7228 -9.7153 -9.7153 -9.7088 -9.7088 -9.3196 -9.3196 -9.3027 -9.3027 -9.2403 -9.2403 -9.2168 -9.2168 -9.1776 -9.1776 -9.1631 -9.1631 -3.2130 -3.2130 1.9630 1.9630 3.6929 3.6929 3.7628 3.7628 4.4732 4.4732 5.5322 5.5322 6.6567 6.6567 7.9314 7.9314 8.4728 8.4728 k = 0.0571 0.1195-0.0000 ( 3843 PWs) bands (ev): -41.2950 -41.2950 -41.2736 -41.2736 -41.0756 -41.0756 -41.0694 -41.0694 -9.7703 -9.7703 -9.7227 -9.7227 -9.7153 -9.7153 -9.7088 -9.7088 -9.3196 -9.3196 -9.3028 -9.3028 -9.2402 -9.2402 -9.2167 -9.2167 -9.1777 -9.1777 -9.1632 -9.1632 -3.2031 -3.2031 1.9617 1.9617 3.6691 3.6691 3.7327 3.7327 4.4678 4.4678 5.4489 5.4489 6.6546 6.6546 8.0696 8.0696 8.6126 8.6126 k = 0.0643 0.1345-0.0000 ( 3847 PWs) bands (ev): -41.2949 -41.2949 -41.2736 -41.2736 -41.0755 -41.0755 -41.0694 -41.0694 -9.7703 -9.7703 -9.7226 -9.7226 -9.7153 -9.7153 -9.7089 -9.7089 -9.3196 -9.3196 -9.3028 -9.3028 -9.2402 -9.2402 -9.2166 -9.2166 -9.1777 -9.1777 -9.1632 -9.1632 -3.1920 -3.1920 1.9596 1.9596 3.5961 3.5961 3.7464 3.7464 4.4673 4.4673 5.3650 5.3650 6.6522 6.6522 8.2188 8.2188 8.7611 8.7611 k = 0.0714 0.1494-0.0000 ( 3863 PWs) bands (ev): -41.2949 -41.2949 -41.2736 -41.2736 -41.0755 -41.0755 -41.0695 -41.0695 -9.7704 -9.7704 -9.7226 -9.7226 -9.7153 -9.7153 -9.7090 -9.7090 -9.3196 -9.3196 -9.3030 -9.3030 -9.2402 -9.2402 -9.2165 -9.2165 -9.1777 -9.1777 -9.1633 -9.1633 -3.1798 -3.1798 1.9565 1.9565 3.5114 3.5114 3.7680 3.7680 4.4712 4.4712 5.2818 5.2818 6.6495 6.6495 8.3777 8.3777 8.9170 8.9170 k = 0.0786 0.1643-0.0000 ( 3859 PWs) bands (ev): -41.2948 -41.2948 -41.2736 -41.2736 -41.0755 -41.0755 -41.0696 -41.0696 -9.7703 -9.7703 -9.7224 -9.7224 -9.7153 -9.7153 -9.7090 -9.7090 -9.3195 -9.3195 -9.3030 -9.3030 -9.2401 -9.2401 -9.2164 -9.2164 -9.1777 -9.1777 -9.1633 -9.1633 -3.1664 -3.1664 1.9522 1.9522 3.4213 3.4213 3.7929 3.7929 4.4792 4.4792 5.2006 5.2006 6.6466 6.6466 8.5451 8.5451 9.0792 9.0792 k = 0.0857 0.1793-0.0000 ( 3851 PWs) bands (ev): -41.2948 -41.2948 -41.2736 -41.2736 -41.0754 -41.0754 -41.0697 -41.0697 -9.7703 -9.7703 -9.7222 -9.7222 -9.7153 -9.7153 -9.7090 -9.7090 -9.3194 -9.3194 -9.3031 -9.3031 -9.2400 -9.2400 -9.2161 -9.2161 -9.1777 -9.1777 -9.1633 -9.1633 -3.1520 -3.1520 1.9464 1.9464 3.3277 3.3277 3.8205 3.8205 4.4908 4.4908 5.1224 5.1224 6.6434 6.6434 8.7201 8.7201 9.2468 9.2468 k = 0.0929 0.1942-0.0000 ( 3851 PWs) bands (ev): -41.2947 -41.2947 -41.2736 -41.2736 -41.0753 -41.0753 -41.0698 -41.0698 -9.7703 -9.7703 -9.7221 -9.7221 -9.7152 -9.7152 -9.7091 -9.7091 -9.3194 -9.3194 -9.3031 -9.3031 -9.2399 -9.2399 -9.2159 -9.2159 -9.1777 -9.1777 -9.1634 -9.1634 -3.1365 -3.1365 1.9388 1.9388 3.2321 3.2321 3.8504 3.8504 4.5056 4.5056 5.0482 5.0482 6.6400 6.6400 8.9018 8.9018 9.4189 9.4189 k = 0.1000 0.2092-0.0000 ( 3847 PWs) bands (ev): -41.2947 -41.2947 -41.2736 -41.2736 -41.0753 -41.0753 -41.0699 -41.0699 -9.7702 -9.7702 -9.7219 -9.7219 -9.7152 -9.7152 -9.7091 -9.7091 -9.3193 -9.3193 -9.3032 -9.3032 -9.2398 -9.2398 -9.2157 -9.2157 -9.1776 -9.1776 -9.1634 -9.1634 -3.1201 -3.1201 1.9292 1.9292 3.1354 3.1354 3.8825 3.8825 4.5234 4.5234 4.9788 4.9788 6.6364 6.6364 9.0894 9.0894 9.5946 9.5946 k = 0.1071 0.2241-0.0000 ( 3839 PWs) bands (ev): -41.2946 -41.2946 -41.2736 -41.2736 -41.0752 -41.0752 -41.0700 -41.0700 -9.7701 -9.7701 -9.7217 -9.7217 -9.7151 -9.7151 -9.7092 -9.7092 -9.3192 -9.3192 -9.3033 -9.3033 -9.2396 -9.2396 -9.2155 -9.2155 -9.1775 -9.1775 -9.1634 -9.1634 -3.1028 -3.1028 1.9172 1.9172 3.0387 3.0387 3.9168 3.9168 4.5438 4.5438 4.9148 4.9148 6.6325 6.6325 9.2822 9.2822 9.6658 9.6658 k = 0.1143 0.2390-0.0000 ( 3839 PWs) bands (ev): -41.2945 -41.2945 -41.2736 -41.2736 -41.0751 -41.0751 -41.0702 -41.0702 -9.7700 -9.7700 -9.7215 -9.7215 -9.7151 -9.7151 -9.7092 -9.7092 -9.3191 -9.3191 -9.3034 -9.3034 -9.2395 -9.2395 -9.2153 -9.2153 -9.1775 -9.1775 -9.1635 -9.1635 -3.0846 -3.0846 1.9026 1.9026 2.9425 2.9425 3.9531 3.9531 4.5666 4.5666 4.8568 4.8568 6.6285 6.6285 9.4796 9.4796 9.5623 9.5623 k = 0.1214 0.2540-0.0000 ( 3843 PWs) bands (ev): -41.2945 -41.2945 -41.2736 -41.2736 -41.0751 -41.0751 -41.0703 -41.0703 -9.7700 -9.7700 -9.7214 -9.7214 -9.7151 -9.7151 -9.7094 -9.7094 -9.3190 -9.3190 -9.3035 -9.3035 -9.2394 -9.2394 -9.2152 -9.2152 -9.1775 -9.1775 -9.1636 -9.1636 -3.0658 -3.0658 1.8852 1.8852 2.8477 2.8477 3.9914 3.9914 4.5916 4.5916 4.8055 4.8055 6.6243 6.6243 9.4562 9.4562 9.6806 9.6806 k = 0.1286 0.2689-0.0000 ( 3839 PWs) bands (ev): -41.2944 -41.2944 -41.2736 -41.2736 -41.0750 -41.0750 -41.0704 -41.0704 -9.7700 -9.7700 -9.7212 -9.7212 -9.7150 -9.7150 -9.7094 -9.7094 -9.3190 -9.3190 -9.3036 -9.3036 -9.2393 -9.2393 -9.2150 -9.2150 -9.1775 -9.1775 -9.1636 -9.1636 -3.0463 -3.0463 1.8647 1.8647 2.7545 2.7545 4.0316 4.0316 4.6185 4.6185 4.7614 4.7614 6.6198 6.6198 9.3490 9.3490 9.8217 9.8217 k = 0.1357 0.2839-0.0000 ( 3831 PWs) bands (ev): -41.2943 -41.2943 -41.2736 -41.2736 -41.0749 -41.0749 -41.0705 -41.0705 -9.7699 -9.7699 -9.7210 -9.7210 -9.7149 -9.7149 -9.7094 -9.7094 -9.3189 -9.3189 -9.3036 -9.3036 -9.2392 -9.2392 -9.2147 -9.2147 -9.1774 -9.1774 -9.1636 -9.1636 -3.0262 -3.0262 1.8410 1.8410 2.6636 2.6636 4.0734 4.0734 4.6464 4.6464 4.7259 4.7259 6.6152 6.6152 9.2415 9.2415 9.7360 9.7360 k = 0.1429 0.2988-0.0000 ( 3827 PWs) bands (ev): -41.2943 -41.2943 -41.2736 -41.2736 -41.0748 -41.0748 -41.0707 -41.0707 -9.7699 -9.7699 -9.7208 -9.7208 -9.7149 -9.7149 -9.7095 -9.7095 -9.3188 -9.3188 -9.3036 -9.3036 -9.2391 -9.2391 -9.2145 -9.2145 -9.1774 -9.1774 -9.1636 -9.1636 -3.0057 -3.0057 1.8140 1.8140 2.5753 2.5753 4.1169 4.1169 4.6686 4.6686 4.7055 4.7055 6.6104 6.6104 9.1345 9.1345 9.6406 9.6406 k = 0.1500 0.3137-0.0000 ( 3826 PWs) bands (ev): -41.2942 -41.2942 -41.2736 -41.2736 -41.0747 -41.0747 -41.0708 -41.0708 -9.7698 -9.7698 -9.7206 -9.7206 -9.7148 -9.7148 -9.7096 -9.7096 -9.3187 -9.3187 -9.3037 -9.3037 -9.2389 -9.2389 -9.2144 -9.2144 -9.1773 -9.1773 -9.1637 -9.1637 -2.9849 -2.9849 1.7836 1.7836 2.4899 2.4899 4.1618 4.1618 4.6633 4.6633 4.7223 4.7223 6.6054 6.6054 9.0286 9.0286 9.5405 9.5405 k = 0.1571 0.3287-0.0000 ( 3836 PWs) bands (ev): -41.2941 -41.2941 -41.2736 -41.2736 -41.0746 -41.0746 -41.0710 -41.0710 -9.7698 -9.7698 -9.7205 -9.7205 -9.7148 -9.7148 -9.7097 -9.7097 -9.3187 -9.3187 -9.3038 -9.3038 -9.2389 -9.2389 -9.2142 -9.2142 -9.1774 -9.1774 -9.1638 -9.1638 -2.9638 -2.9638 1.7498 1.7498 2.4078 2.4078 4.2081 4.2081 4.6516 4.6516 4.7553 4.7553 6.6002 6.6002 8.9243 8.9243 9.4371 9.4371 k = 0.1643 0.3436-0.0000 ( 3836 PWs) bands (ev): -41.2941 -41.2941 -41.2737 -41.2737 -41.0745 -41.0745 -41.0711 -41.0711 -9.7698 -9.7698 -9.7203 -9.7203 -9.7148 -9.7148 -9.7098 -9.7098 -9.3186 -9.3186 -9.3039 -9.3039 -9.2388 -9.2388 -9.2141 -9.2141 -9.1774 -9.1774 -9.1638 -9.1638 -2.9426 -2.9426 1.7127 1.7127 2.3293 2.3293 4.2554 4.2554 4.6459 4.6459 4.7919 4.7919 6.5949 6.5949 8.8223 8.8223 9.3316 9.3316 k = 0.1714 0.3586-0.0000 ( 3828 PWs) bands (ev): -41.2940 -41.2940 -41.2737 -41.2737 -41.0744 -41.0744 -41.0713 -41.0713 -9.7697 -9.7697 -9.7202 -9.7202 -9.7147 -9.7147 -9.7098 -9.7098 -9.3185 -9.3185 -9.3040 -9.3040 -9.2387 -9.2387 -9.2139 -9.2139 -9.1773 -9.1773 -9.1639 -9.1639 -2.9215 -2.9215 1.6726 1.6726 2.2546 2.2546 4.3037 4.3037 4.6475 4.6475 4.8310 4.8310 6.5894 6.5894 8.7230 8.7230 9.2246 9.2246 k = 0.1786 0.3735-0.0000 ( 3832 PWs) bands (ev): -41.2939 -41.2939 -41.2737 -41.2737 -41.0743 -41.0743 -41.0714 -41.0714 -9.7696 -9.7696 -9.7200 -9.7200 -9.7147 -9.7147 -9.7100 -9.7100 -9.3184 -9.3184 -9.3041 -9.3041 -9.2385 -9.2385 -9.2138 -9.2138 -9.1773 -9.1773 -9.1640 -9.1640 -2.9005 -2.9005 1.6295 1.6295 2.1840 2.1840 4.3527 4.3527 4.6565 4.6565 4.8720 4.8720 6.5837 6.5837 8.6268 8.6268 9.1169 9.1169 k = 0.1857 0.3884-0.0000 ( 3834 PWs) bands (ev): -41.2938 -41.2938 -41.2737 -41.2737 -41.0742 -41.0742 -41.0716 -41.0716 -9.7696 -9.7696 -9.7199 -9.7199 -9.7147 -9.7147 -9.7100 -9.7100 -9.3183 -9.3183 -9.3041 -9.3041 -9.2385 -9.2385 -9.2136 -9.2136 -9.1773 -9.1773 -9.1641 -9.1641 -2.8797 -2.8797 1.5837 1.5837 2.1178 2.1178 4.4022 4.4022 4.6728 4.6728 4.9148 4.9148 6.5778 6.5778 8.5344 8.5344 9.0091 9.0091 k = 0.1929 0.4034-0.0000 ( 3826 PWs) bands (ev): -41.2938 -41.2938 -41.2738 -41.2738 -41.0741 -41.0741 -41.0718 -41.0718 -9.7695 -9.7695 -9.7197 -9.7197 -9.7146 -9.7146 -9.7100 -9.7100 -9.3182 -9.3182 -9.3041 -9.3041 -9.2384 -9.2384 -9.2135 -9.2135 -9.1772 -9.1772 -9.1641 -9.1641 -2.8594 -2.8594 1.5356 1.5356 2.0561 2.0561 4.4519 4.4519 4.6963 4.6963 4.9595 4.9595 6.5717 6.5717 8.4459 8.4459 8.9017 8.9017 k = 0.2000 0.4183-0.0000 ( 3826 PWs) bands (ev): -41.2937 -41.2937 -41.2738 -41.2738 -41.0739 -41.0739 -41.0719 -41.0719 -9.7695 -9.7695 -9.7195 -9.7195 -9.7146 -9.7146 -9.7101 -9.7101 -9.3181 -9.3181 -9.3042 -9.3042 -9.2383 -9.2383 -9.2133 -9.2133 -9.1772 -9.1772 -9.1642 -9.1642 -2.8397 -2.8397 1.4853 1.4853 1.9992 1.9992 4.5016 4.5016 4.7267 4.7267 5.0059 5.0059 6.5655 6.5655 8.3621 8.3621 8.7949 8.7949 k = 0.2071 0.4333-0.0000 ( 3830 PWs) bands (ev): -41.2936 -41.2936 -41.2738 -41.2738 -41.0738 -41.0738 -41.0721 -41.0721 -9.7695 -9.7695 -9.7194 -9.7194 -9.7146 -9.7146 -9.7102 -9.7102 -9.3180 -9.3180 -9.3043 -9.3043 -9.2382 -9.2382 -9.2133 -9.2133 -9.1771 -9.1771 -9.1643 -9.1643 -2.8206 -2.8206 1.4332 1.4332 1.9472 1.9472 4.5509 4.5509 4.7636 4.7636 5.0539 5.0539 6.5591 6.5591 8.2832 8.2832 8.6893 8.6893 k = 0.2143 0.4482-0.0000 ( 3826 PWs) bands (ev): -41.2936 -41.2936 -41.2739 -41.2739 -41.0737 -41.0737 -41.0722 -41.0722 -9.7694 -9.7694 -9.7193 -9.7193 -9.7146 -9.7146 -9.7102 -9.7102 -9.3180 -9.3180 -9.3043 -9.3043 -9.2382 -9.2382 -9.2131 -9.2131 -9.1771 -9.1771 -9.1643 -9.1643 -2.8024 -2.8024 1.3796 1.3796 1.9004 1.9004 4.5995 4.5995 4.8069 4.8069 5.1036 5.1036 6.5526 6.5526 8.2098 8.2098 8.5849 8.5849 k = 0.2214 0.4631-0.0000 ( 3824 PWs) bands (ev): -41.2935 -41.2935 -41.2739 -41.2739 -41.0735 -41.0735 -41.0724 -41.0724 -9.7694 -9.7694 -9.7192 -9.7192 -9.7146 -9.7146 -9.7102 -9.7102 -9.3179 -9.3179 -9.3043 -9.3043 -9.2381 -9.2381 -9.2130 -9.2130 -9.1770 -9.1770 -9.1644 -9.1644 -2.7851 -2.7851 1.3249 1.3249 1.8589 1.8589 4.6472 4.6472 4.8560 4.8560 5.1548 5.1548 6.5458 6.5458 8.1424 8.1424 8.4820 8.4820 k = 0.2286 0.4781-0.0000 ( 3822 PWs) bands (ev): -41.2934 -41.2934 -41.2740 -41.2740 -41.0734 -41.0734 -41.0726 -41.0726 -9.7693 -9.7693 -9.7191 -9.7191 -9.7146 -9.7146 -9.7102 -9.7102 -9.3178 -9.3178 -9.3044 -9.3044 -9.2380 -9.2380 -9.2130 -9.2130 -9.1770 -9.1770 -9.1645 -9.1645 -2.7689 -2.7689 1.2692 1.2692 1.8228 1.8228 4.6933 4.6933 4.9109 4.9109 5.2076 5.2076 6.5389 6.5389 8.0815 8.0815 8.3808 8.3808 k = 0.2357 0.4930-0.0000 ( 3824 PWs) bands (ev): -41.2934 -41.2934 -41.2740 -41.2740 -41.0732 -41.0732 -41.0727 -41.0727 -9.7693 -9.7693 -9.7190 -9.7190 -9.7146 -9.7146 -9.7103 -9.7103 -9.3177 -9.3177 -9.3044 -9.3044 -9.2379 -9.2379 -9.2130 -9.2130 -9.1770 -9.1770 -9.1646 -9.1646 -2.7540 -2.7540 1.2130 1.2130 1.7924 1.7924 4.7376 4.7376 4.9712 4.9712 5.2618 5.2618 6.5319 6.5319 8.0275 8.0275 8.2815 8.2815 k = 0.2429 0.5080-0.0000 ( 3822 PWs) bands (ev): -41.2933 -41.2933 -41.2741 -41.2741 -41.0731 -41.0731 -41.0729 -41.0729 -9.7692 -9.7692 -9.7189 -9.7189 -9.7146 -9.7146 -9.7103 -9.7103 -9.3176 -9.3176 -9.3045 -9.3045 -9.2379 -9.2379 -9.2129 -9.2129 -9.1769 -9.1769 -9.1647 -9.1647 -2.7403 -2.7403 1.1564 1.1564 1.7677 1.7677 4.7795 4.7795 5.0367 5.0367 5.3175 5.3175 6.5246 6.5246 7.9810 7.9810 8.1841 8.1841 k = 0.2500 0.5229-0.0000 ( 3824 PWs) bands (ev): -41.2933 -41.2933 -41.2741 -41.2741 -41.0730 -41.0730 -41.0729 -41.0729 -9.7692 -9.7692 -9.7188 -9.7188 -9.7146 -9.7146 -9.7103 -9.7103 -9.3176 -9.3176 -9.3045 -9.3045 -9.2379 -9.2379 -9.2130 -9.2130 -9.1769 -9.1769 -9.1648 -9.1648 -2.7280 -2.7280 1.0997 1.0997 1.7488 1.7488 4.8185 4.8185 5.1072 5.1072 5.3746 5.3746 6.5173 6.5173 7.9425 7.9425 8.0888 8.0888 k = 0.2571 0.5378-0.0000 ( 3824 PWs) bands (ev): -41.2932 -41.2932 -41.2742 -41.2742 -41.0732 -41.0732 -41.0728 -41.0728 -9.7691 -9.7691 -9.7188 -9.7188 -9.7146 -9.7146 -9.7104 -9.7104 -9.3175 -9.3175 -9.3045 -9.3045 -9.2378 -9.2378 -9.2130 -9.2130 -9.1768 -9.1768 -9.1649 -9.1649 -2.7172 -2.7172 1.0431 1.0431 1.7359 1.7359 4.8542 4.8542 5.1825 5.1825 5.4330 5.4330 6.5098 6.5098 7.9125 7.9125 7.9957 7.9957 k = 0.2643 0.5528-0.0000 ( 3822 PWs) bands (ev): -41.2932 -41.2932 -41.2742 -41.2742 -41.0733 -41.0733 -41.0726 -41.0726 -9.7691 -9.7691 -9.7187 -9.7187 -9.7146 -9.7146 -9.7104 -9.7104 -9.3174 -9.3174 -9.3045 -9.3045 -9.2378 -9.2378 -9.2130 -9.2130 -9.1767 -9.1767 -9.1650 -9.1650 -2.7079 -2.7079 0.9868 0.9868 1.7288 1.7288 4.8859 4.8859 5.2625 5.2625 5.4926 5.4926 6.5022 6.5022 7.8913 7.8913 7.9050 7.9050 k = 0.2714 0.5677-0.0000 ( 3814 PWs) bands (ev): -41.2931 -41.2931 -41.2743 -41.2743 -41.0735 -41.0735 -41.0725 -41.0725 -9.7690 -9.7690 -9.7186 -9.7186 -9.7146 -9.7146 -9.7103 -9.7103 -9.3173 -9.3173 -9.3045 -9.3045 -9.2378 -9.2378 -9.2130 -9.2130 -9.1767 -9.1767 -9.1651 -9.1651 -2.7001 -2.7001 0.9310 0.9310 1.7278 1.7278 4.9135 4.9135 5.3468 5.3468 5.5535 5.5535 6.4946 6.4946 7.8162 7.8162 7.8799 7.8799 k = 0.2786 0.5827-0.0000 ( 3818 PWs) bands (ev): -41.2931 -41.2931 -41.2743 -41.2743 -41.0736 -41.0736 -41.0723 -41.0723 -9.7690 -9.7690 -9.7187 -9.7187 -9.7146 -9.7146 -9.7103 -9.7103 -9.3173 -9.3173 -9.3044 -9.3044 -9.2378 -9.2378 -9.2130 -9.2130 -9.1767 -9.1767 -9.1652 -9.1652 -2.6940 -2.6940 0.8759 0.8759 1.7327 1.7327 4.9366 4.9366 5.4354 5.4354 5.6156 5.6156 6.4869 6.4869 7.7301 7.7301 7.8778 7.8778 k = 0.2857 0.5976-0.0000 ( 3822 PWs) bands (ev): -41.2930 -41.2930 -41.2744 -41.2744 -41.0737 -41.0737 -41.0722 -41.0722 -9.7689 -9.7689 -9.7187 -9.7187 -9.7147 -9.7147 -9.7103 -9.7103 -9.3172 -9.3172 -9.3045 -9.3045 -9.2378 -9.2378 -9.2132 -9.2132 -9.1766 -9.1766 -9.1653 -9.1653 -2.6894 -2.6894 0.8216 0.8216 1.7436 1.7436 4.9550 4.9550 5.5278 5.5278 5.6789 5.6789 6.4792 6.4792 7.6464 7.6464 7.8855 7.8855 k = 0.2929 0.6126-0.0000 ( 3830 PWs) bands (ev): -41.2930 -41.2930 -41.2745 -41.2745 -41.0739 -41.0739 -41.0720 -41.0720 -9.7689 -9.7689 -9.7188 -9.7188 -9.7147 -9.7147 -9.7104 -9.7104 -9.3172 -9.3172 -9.3045 -9.3045 -9.2379 -9.2379 -9.2134 -9.2134 -9.1766 -9.1766 -9.1654 -9.1654 -2.6864 -2.6864 0.7683 0.7683 1.7603 1.7603 4.9686 4.9686 5.6239 5.6239 5.7434 5.7434 6.4717 6.4717 7.5651 7.5651 7.9031 7.9031 k = 0.3000 0.6275-0.0000 ( 3826 PWs) bands (ev): -41.2929 -41.2929 -41.2745 -41.2745 -41.0740 -41.0740 -41.0719 -41.0719 -9.7688 -9.7688 -9.7188 -9.7188 -9.7147 -9.7147 -9.7104 -9.7104 -9.3171 -9.3171 -9.3044 -9.3044 -9.2379 -9.2379 -9.2134 -9.2134 -9.1765 -9.1765 -9.1655 -9.1655 -2.6849 -2.6849 0.7160 0.7160 1.7829 1.7829 4.9774 4.9774 5.7227 5.7227 5.8096 5.8096 6.4643 6.4643 7.4864 7.4864 7.9306 7.9306 k = 0.3071 0.6424-0.0000 ( 3822 PWs) bands (ev): -41.2929 -41.2929 -41.2746 -41.2746 -41.0741 -41.0741 -41.0717 -41.0717 -9.7688 -9.7688 -9.7188 -9.7188 -9.7147 -9.7147 -9.7104 -9.7104 -9.3170 -9.3170 -9.3044 -9.3044 -9.2379 -9.2379 -9.2135 -9.2135 -9.1765 -9.1765 -9.1656 -9.1656 -2.6849 -2.6849 0.6650 0.6650 1.8111 1.8111 4.9816 4.9816 5.8223 5.8223 5.8791 5.8791 6.4574 6.4574 7.4102 7.4102 7.9678 7.9678 k = 0.3071 0.6424-0.0000 ( 3822 PWs) bands (ev): -41.2929 -41.2929 -41.2746 -41.2746 -41.0741 -41.0741 -41.0717 -41.0717 -9.7688 -9.7688 -9.7188 -9.7188 -9.7147 -9.7147 -9.7104 -9.7104 -9.3170 -9.3170 -9.3044 -9.3044 -9.2379 -9.2379 -9.2135 -9.2135 -9.1765 -9.1765 -9.1656 -9.1656 -2.6849 -2.6849 0.6650 0.6650 1.8111 1.8111 4.9816 4.9816 5.8223 5.8223 5.8791 5.8791 6.4574 6.4574 7.4102 7.4102 7.9678 7.9678 k = 0.2910 0.6424-0.0000 ( 3828 PWs) bands (ev): -41.2929 -41.2929 -41.2746 -41.2746 -41.0741 -41.0741 -41.0718 -41.0718 -9.7688 -9.7688 -9.7188 -9.7188 -9.7147 -9.7147 -9.7104 -9.7104 -9.3171 -9.3171 -9.3044 -9.3044 -9.2379 -9.2379 -9.2135 -9.2135 -9.1765 -9.1765 -9.1656 -9.1656 -2.6851 -2.6851 0.6868 0.6868 1.8007 1.8007 4.9793 4.9793 5.6935 5.6935 5.9362 5.9362 6.4603 6.4603 7.4395 7.4395 7.9578 7.9578 k = 0.2748 0.6424-0.0000 ( 3830 PWs) bands (ev): -41.2929 -41.2929 -41.2745 -41.2745 -41.0740 -41.0740 -41.0718 -41.0718 -9.7688 -9.7688 -9.7188 -9.7188 -9.7148 -9.7148 -9.7104 -9.7104 -9.3171 -9.3171 -9.3045 -9.3045 -9.2379 -9.2379 -9.2134 -9.2134 -9.1765 -9.1765 -9.1656 -9.1656 -2.6860 -2.6860 0.7094 0.7094 1.7957 1.7957 4.9742 4.9742 5.5435 5.5435 6.0157 6.0157 6.4637 6.4637 7.4614 7.4614 7.9659 7.9659 k = 0.2586 0.6424-0.0000 ( 3825 PWs) bands (ev): -41.2930 -41.2930 -41.2745 -41.2745 -41.0740 -41.0740 -41.0719 -41.0719 -9.7688 -9.7688 -9.7188 -9.7188 -9.7147 -9.7147 -9.7104 -9.7104 -9.3171 -9.3171 -9.3045 -9.3045 -9.2378 -9.2378 -9.2134 -9.2134 -9.1765 -9.1765 -9.1655 -9.1655 -2.6876 -2.6876 0.7320 0.7320 1.7968 1.7968 4.9667 4.9667 5.3938 5.3938 6.0960 6.0960 6.4679 6.4679 7.4728 7.4728 7.9945 7.9945 k = 0.2425 0.6424-0.0000 ( 3824 PWs) bands (ev): -41.2930 -41.2930 -41.2745 -41.2745 -41.0739 -41.0739 -41.0720 -41.0720 -9.7688 -9.7688 -9.7187 -9.7187 -9.7148 -9.7148 -9.7104 -9.7104 -9.3171 -9.3171 -9.3045 -9.3045 -9.2378 -9.2378 -9.2134 -9.2134 -9.1765 -9.1765 -9.1655 -9.1655 -2.6898 -2.6898 0.7541 0.7541 1.8042 1.8042 4.9569 4.9569 5.2460 5.2460 6.1751 6.1751 6.4737 6.4737 7.4733 7.4733 8.0437 8.0437 k = 0.2263 0.6424-0.0000 ( 3822 PWs) bands (ev): -41.2930 -41.2930 -41.2744 -41.2744 -41.0739 -41.0739 -41.0720 -41.0720 -9.7688 -9.7688 -9.7187 -9.7187 -9.7148 -9.7148 -9.7104 -9.7104 -9.3172 -9.3172 -9.3045 -9.3045 -9.2378 -9.2378 -9.2133 -9.2133 -9.1765 -9.1765 -9.1654 -9.1654 -2.6925 -2.6925 0.7749 0.7749 1.8183 1.8183 4.9435 4.9435 5.1025 5.1025 6.2508 6.2508 6.4831 6.4831 7.4650 7.4650 8.1109 8.1109 k = 0.2102 0.6424-0.0000 ( 3819 PWs) bands (ev): -41.2930 -41.2930 -41.2744 -41.2744 -41.0738 -41.0738 -41.0721 -41.0721 -9.7689 -9.7689 -9.7187 -9.7187 -9.7147 -9.7147 -9.7104 -9.7104 -9.3172 -9.3172 -9.3045 -9.3045 -9.2377 -9.2377 -9.2133 -9.2133 -9.1765 -9.1765 -9.1654 -9.1654 -2.6955 -2.6955 0.7941 0.7941 1.8392 1.8392 4.9106 4.9106 4.9801 4.9801 6.3184 6.3184 6.5003 6.5003 7.4509 7.4509 8.1927 8.1927 k = 0.1940 0.6424-0.0000 ( 3817 PWs) bands (ev): -41.2931 -41.2931 -41.2744 -41.2744 -41.0737 -41.0737 -41.0722 -41.0722 -9.7689 -9.7689 -9.7187 -9.7187 -9.7147 -9.7147 -9.7104 -9.7104 -9.3172 -9.3172 -9.3045 -9.3045 -9.2378 -9.2378 -9.2132 -9.2132 -9.1766 -9.1766 -9.1653 -9.1653 -2.6987 -2.6987 0.8113 0.8113 1.8670 1.8670 4.7988 4.7988 4.9388 4.9388 6.3699 6.3699 6.5332 6.5332 7.4335 7.4335 8.2862 8.2862 k = 0.1778 0.6424-0.0000 ( 3816 PWs) bands (ev): -41.2931 -41.2931 -41.2743 -41.2743 -41.0737 -41.0737 -41.0722 -41.0722 -9.7689 -9.7689 -9.7187 -9.7187 -9.7147 -9.7147 -9.7104 -9.7104 -9.3173 -9.3173 -9.3045 -9.3045 -9.2377 -9.2377 -9.2132 -9.2132 -9.1766 -9.1766 -9.1653 -9.1653 -2.7021 -2.7021 0.8261 0.8261 1.9013 1.9013 4.6646 4.6646 4.9232 4.9232 6.4003 6.4003 6.5863 6.5863 7.4146 7.4146 8.3893 8.3893 k = 0.1617 0.6424-0.0000 ( 3814 PWs) bands (ev): -41.2931 -41.2931 -41.2743 -41.2743 -41.0736 -41.0736 -41.0723 -41.0723 -9.7689 -9.7689 -9.7187 -9.7187 -9.7147 -9.7147 -9.7103 -9.7103 -9.3173 -9.3173 -9.3045 -9.3045 -9.2378 -9.2378 -9.2131 -9.2131 -9.1766 -9.1766 -9.1651 -9.1651 -2.7055 -2.7055 0.8387 0.8387 1.9418 1.9418 4.5315 4.5315 4.9105 4.9105 6.4157 6.4157 6.6530 6.6530 7.3954 7.3954 8.5002 8.5002 k = 0.1455 0.6424-0.0000 ( 3815 PWs) bands (ev): -41.2931 -41.2931 -41.2743 -41.2743 -41.0736 -41.0736 -41.0724 -41.0724 -9.7690 -9.7690 -9.7187 -9.7187 -9.7147 -9.7147 -9.7103 -9.7103 -9.3173 -9.3173 -9.3045 -9.3045 -9.2378 -9.2378 -9.2131 -9.2131 -9.1766 -9.1766 -9.1651 -9.1651 -2.7089 -2.7089 0.8490 0.8490 1.9877 1.9877 4.4022 4.4022 4.8990 4.8990 6.4235 6.4235 6.7251 6.7251 7.3768 7.3768 8.6179 8.6179 k = 0.1293 0.6424-0.0000 ( 3816 PWs) bands (ev): -41.2932 -41.2932 -41.2742 -41.2742 -41.0735 -41.0735 -41.0724 -41.0724 -9.7690 -9.7690 -9.7187 -9.7187 -9.7147 -9.7147 -9.7103 -9.7103 -9.3174 -9.3174 -9.3045 -9.3045 -9.2378 -9.2378 -9.2131 -9.2131 -9.1766 -9.1766 -9.1651 -9.1651 -2.7121 -2.7121 0.8572 0.8572 2.0380 2.0380 4.2781 4.2781 4.8884 4.8884 6.4279 6.4279 6.7980 6.7980 7.3594 7.3594 8.7415 8.7415 k = 0.1132 0.6424-0.0000 ( 3814 PWs) bands (ev): -41.2932 -41.2932 -41.2742 -41.2742 -41.0734 -41.0734 -41.0725 -41.0725 -9.7690 -9.7690 -9.7187 -9.7187 -9.7147 -9.7147 -9.7103 -9.7103 -9.3174 -9.3174 -9.3045 -9.3045 -9.2378 -9.2378 -9.2130 -9.2130 -9.1766 -9.1766 -9.1650 -9.1650 -2.7152 -2.7152 0.8636 0.8636 2.0914 2.0914 4.1603 4.1603 4.8788 4.8788 6.4304 6.4304 6.8690 6.8690 7.3435 7.3435 8.8703 8.8703 k = 0.0970 0.6424-0.0000 ( 3815 PWs) bands (ev): -41.2932 -41.2932 -41.2742 -41.2742 -41.0734 -41.0734 -41.0726 -41.0726 -9.7690 -9.7690 -9.7187 -9.7187 -9.7147 -9.7147 -9.7103 -9.7103 -9.3174 -9.3174 -9.3046 -9.3046 -9.2378 -9.2378 -9.2130 -9.2130 -9.1766 -9.1766 -9.1650 -9.1650 -2.7179 -2.7179 0.8685 0.8685 2.1462 2.1462 4.0503 4.0503 4.8702 4.8702 6.4320 6.4320 6.9362 6.9362 7.3293 7.3293 9.0035 9.0035 k = 0.0808 0.6424-0.0000 ( 3816 PWs) bands (ev): -41.2932 -41.2932 -41.2742 -41.2742 -41.0733 -41.0733 -41.0726 -41.0726 -9.7690 -9.7690 -9.7187 -9.7187 -9.7147 -9.7147 -9.7103 -9.7103 -9.3174 -9.3174 -9.3046 -9.3046 -9.2378 -9.2378 -9.2130 -9.2130 -9.1766 -9.1766 -9.1650 -9.1650 -2.7204 -2.7204 0.8721 0.8721 2.2006 2.2006 3.9498 3.9498 4.8627 4.8627 6.4329 6.4329 6.9977 6.9977 7.3171 7.3171 9.0488 9.0488 k = 0.0647 0.6424-0.0000 ( 3813 PWs) bands (ev): -41.2932 -41.2932 -41.2741 -41.2741 -41.0733 -41.0733 -41.0727 -41.0727 -9.7690 -9.7690 -9.7186 -9.7186 -9.7148 -9.7148 -9.7103 -9.7103 -9.3174 -9.3174 -9.3046 -9.3046 -9.2377 -9.2377 -9.2130 -9.2130 -9.1766 -9.1766 -9.1650 -9.1650 -2.7225 -2.7225 0.8747 0.8747 2.2520 2.2520 3.8609 3.8609 4.8564 4.8564 6.4335 6.4335 7.0519 7.0519 7.3070 7.3070 8.9955 8.9955 k = 0.0485 0.6424-0.0000 ( 3816 PWs) bands (ev): -41.2932 -41.2932 -41.2741 -41.2741 -41.0732 -41.0732 -41.0728 -41.0728 -9.7691 -9.7691 -9.7186 -9.7186 -9.7148 -9.7148 -9.7103 -9.7103 -9.3174 -9.3174 -9.3046 -9.3046 -9.2378 -9.2378 -9.2130 -9.2130 -9.1766 -9.1766 -9.1650 -9.1650 -2.7241 -2.7241 0.8765 0.8765 2.2974 2.2974 3.7866 3.7866 4.8515 4.8515 6.4338 6.4338 7.0967 7.0967 7.2990 7.2990 8.9508 8.9508 k = 0.0323 0.6424-0.0000 ( 3816 PWs) bands (ev): -41.2933 -41.2933 -41.2741 -41.2741 -41.0731 -41.0731 -41.0728 -41.0728 -9.7691 -9.7691 -9.7187 -9.7187 -9.7148 -9.7148 -9.7103 -9.7103 -9.3175 -9.3175 -9.3046 -9.3046 -9.2378 -9.2378 -9.2129 -9.2129 -9.1766 -9.1766 -9.1649 -9.1649 -2.7253 -2.7253 0.8776 0.8776 2.3335 2.3335 3.7300 3.7300 4.8479 4.8479 6.4340 6.4340 7.1304 7.1304 7.2933 7.2933 8.9172 8.9172 k = 0.0162 0.6424-0.0000 ( 3812 PWs) bands (ev): -41.2933 -41.2933 -41.2741 -41.2741 -41.0731 -41.0731 -41.0729 -41.0729 -9.7690 -9.7690 -9.7186 -9.7186 -9.7148 -9.7148 -9.7103 -9.7103 -9.3174 -9.3174 -9.3046 -9.3046 -9.2377 -9.2377 -9.2129 -9.2129 -9.1766 -9.1766 -9.1649 -9.1649 -2.7261 -2.7261 0.8783 0.8783 2.3569 2.3569 3.6944 3.6944 4.8458 4.8458 6.4340 6.4340 7.1513 7.1513 7.2899 7.2899 8.8962 8.8962 k = 0.0000 0.6424-0.0000 ( 3808 PWs) bands (ev): -41.2933 -41.2933 -41.2741 -41.2741 -41.0730 -41.0730 -41.0729 -41.0729 -9.7690 -9.7690 -9.7186 -9.7186 -9.7147 -9.7147 -9.7103 -9.7103 -9.3174 -9.3174 -9.3046 -9.3046 -9.2377 -9.2377 -9.2129 -9.2129 -9.1766 -9.1766 -9.1649 -9.1649 -2.7263 -2.7263 0.8785 0.8785 2.3650 2.3650 3.6822 3.6822 4.8450 4.8450 6.4341 6.4341 7.1584 7.1584 7.2887 7.2887 8.8891 8.8891 k = 0.0000 0.6424-0.0000 ( 3808 PWs) bands (ev): -41.2933 -41.2933 -41.2741 -41.2741 -41.0730 -41.0730 -41.0729 -41.0729 -9.7690 -9.7690 -9.7186 -9.7186 -9.7147 -9.7147 -9.7103 -9.7103 -9.3174 -9.3174 -9.3046 -9.3046 -9.2377 -9.2377 -9.2129 -9.2129 -9.1766 -9.1766 -9.1649 -9.1649 -2.7263 -2.7263 0.8785 0.8785 2.3650 2.3650 3.6822 3.6822 4.8450 4.8450 6.4341 6.4341 7.1584 7.1584 7.2887 7.2887 8.8891 8.8891 k = 0.0000 0.6424 0.0168 ( 3810 PWs) bands (ev): -41.2932 -41.2932 -41.2741 -41.2741 -41.0730 -41.0730 -41.0729 -41.0729 -9.7691 -9.7691 -9.7189 -9.7189 -9.7145 -9.7145 -9.7102 -9.7102 -9.3174 -9.3174 -9.3046 -9.3046 -9.2377 -9.2377 -9.2130 -9.2130 -9.1769 -9.1769 -9.1645 -9.1645 -2.7249 -2.7249 0.8789 0.8789 2.3651 2.3651 3.6826 3.6826 4.8234 4.8234 6.4591 6.4591 7.0633 7.0633 7.3839 7.3839 8.8874 8.8874 k = 0.0000 0.6424 0.0337 ( 3818 PWs) bands (ev): -41.2932 -41.2932 -41.2741 -41.2741 -41.0730 -41.0730 -41.0729 -41.0729 -9.7691 -9.7691 -9.7197 -9.7197 -9.7142 -9.7142 -9.7099 -9.7099 -9.3173 -9.3173 -9.3047 -9.3047 -9.2376 -9.2376 -9.2133 -9.2133 -9.1777 -9.1777 -9.1636 -9.1636 -2.7206 -2.7206 0.8801 0.8801 2.3650 2.3650 3.6838 3.6838 4.7624 4.7624 6.5303 6.5303 6.9240 6.9240 7.5236 7.5236 8.8823 8.8823 k = 0.0000 0.6424 0.0505 ( 3822 PWs) bands (ev): -41.2932 -41.2932 -41.2742 -41.2742 -41.0730 -41.0730 -41.0729 -41.0729 -9.7692 -9.7692 -9.7206 -9.7206 -9.7138 -9.7138 -9.7093 -9.7093 -9.3171 -9.3171 -9.3047 -9.3047 -9.2374 -9.2374 -9.2138 -9.2138 -9.1787 -9.1787 -9.1624 -9.1624 -2.7134 -2.7134 0.8822 0.8822 2.3649 2.3649 3.6859 3.6859 4.6712 4.6712 6.6375 6.6375 6.7816 6.7816 7.6673 7.6673 8.8739 8.8739 k = 0.0000 0.6424 0.0673 ( 3822 PWs) bands (ev): -41.2931 -41.2931 -41.2742 -41.2742 -41.0731 -41.0731 -41.0730 -41.0730 -9.7693 -9.7693 -9.7216 -9.7216 -9.7135 -9.7135 -9.7086 -9.7086 -9.3169 -9.3169 -9.3048 -9.3048 -9.2370 -9.2370 -9.2144 -9.2144 -9.1799 -9.1799 -9.1608 -9.1608 -2.7033 -2.7033 0.8849 0.8849 2.3645 2.3645 3.6887 3.6887 4.5599 4.5599 6.6340 6.6340 6.7762 6.7762 7.8114 7.8114 8.8625 8.8625 k = 0.0000 0.6424 0.0842 ( 3822 PWs) bands (ev): -41.2930 -41.2930 -41.2743 -41.2743 -41.0731 -41.0731 -41.0730 -41.0730 -9.7695 -9.7695 -9.7227 -9.7227 -9.7132 -9.7132 -9.7077 -9.7077 -9.3165 -9.3165 -9.3048 -9.3048 -9.2366 -9.2366 -9.2153 -9.2153 -9.1811 -9.1811 -9.1591 -9.1591 -2.6904 -2.6904 0.8881 0.8881 2.3636 2.3636 3.6923 3.6923 4.4366 4.4366 6.4915 6.4915 6.9282 6.9282 7.9551 7.9551 8.8484 8.8484 k = 0.0000 0.6424 0.1010 ( 3818 PWs) bands (ev): -41.2929 -41.2929 -41.2744 -41.2744 -41.0731 -41.0731 -41.0730 -41.0730 -9.7696 -9.7696 -9.7238 -9.7238 -9.7130 -9.7130 -9.7067 -9.7067 -9.3162 -9.3162 -9.3049 -9.3049 -9.2361 -9.2361 -9.2162 -9.2162 -9.1823 -9.1823 -9.1573 -9.1573 -2.6746 -2.6746 0.8916 0.8916 2.3619 2.3619 3.6965 3.6965 4.3076 4.3076 6.3487 6.3487 7.0926 7.0926 8.0979 8.0979 8.8327 8.8327 k = 0.0000 0.6424 0.1178 ( 3824 PWs) bands (ev): -41.2928 -41.2928 -41.2745 -41.2745 -41.0731 -41.0731 -41.0730 -41.0730 -9.7698 -9.7698 -9.7249 -9.7249 -9.7128 -9.7128 -9.7058 -9.7058 -9.3157 -9.3157 -9.3049 -9.3049 -9.2355 -9.2355 -9.2173 -9.2173 -9.1833 -9.1833 -9.1557 -9.1557 -2.6560 -2.6560 0.8952 0.8952 2.3590 2.3590 3.7014 3.7014 4.1772 4.1772 6.2067 6.2067 7.2627 7.2627 8.2393 8.2393 8.8171 8.8171 k = 0.0000 0.6424 0.1346 ( 3824 PWs) bands (ev): -41.2926 -41.2926 -41.2746 -41.2746 -41.0731 -41.0731 -41.0730 -41.0730 -9.7700 -9.7700 -9.7260 -9.7260 -9.7126 -9.7126 -9.7048 -9.7048 -9.3152 -9.3152 -9.3050 -9.3050 -9.2349 -9.2349 -9.2185 -9.2185 -9.1843 -9.1843 -9.1540 -9.1540 -2.6344 -2.6344 0.8985 0.8985 2.3545 2.3545 3.7068 3.7068 4.0490 4.0490 6.0657 6.0657 7.4327 7.4327 8.3790 8.3790 8.8047 8.8047 k = 0.0000 0.6424 0.1515 ( 3830 PWs) bands (ev): -41.2924 -41.2924 -41.2747 -41.2747 -41.0731 -41.0731 -41.0730 -41.0730 -9.7701 -9.7701 -9.7271 -9.7271 -9.7125 -9.7125 -9.7040 -9.7040 -9.3147 -9.3147 -9.3051 -9.3051 -9.2342 -9.2342 -9.2199 -9.2199 -9.1851 -9.1851 -9.1523 -9.1523 -2.6101 -2.6101 0.9011 0.9011 2.3478 2.3478 3.7122 3.7122 3.9259 3.9259 5.9260 5.9260 7.5958 7.5958 8.5161 8.5161 8.8007 8.8007 k = 0.0000 0.6424 0.1683 ( 3834 PWs) bands (ev): -41.2923 -41.2923 -41.2749 -41.2749 -41.0731 -41.0731 -41.0730 -41.0730 -9.7703 -9.7703 -9.7282 -9.7282 -9.7124 -9.7124 -9.7031 -9.7031 -9.3142 -9.3142 -9.3052 -9.3052 -9.2335 -9.2335 -9.2213 -9.2213 -9.1858 -9.1858 -9.1507 -9.1507 -2.5828 -2.5828 0.9024 0.9024 2.3384 2.3384 3.7158 3.7158 3.8121 3.8121 5.7876 5.7876 7.7425 7.7425 8.6471 8.6471 8.7688 8.7688 k = 0.0000 0.6424 0.1851 ( 3836 PWs) bands (ev): -41.2920 -41.2920 -41.2750 -41.2750 -41.0731 -41.0731 -41.0730 -41.0730 -9.7704 -9.7704 -9.7293 -9.7293 -9.7122 -9.7122 -9.7023 -9.7023 -9.3136 -9.3136 -9.3052 -9.3052 -9.2329 -9.2329 -9.2226 -9.2226 -9.1864 -9.1864 -9.1492 -9.1492 -2.5527 -2.5527 0.9018 0.9018 2.3256 2.3256 3.6866 3.6866 3.7406 3.7406 5.6506 5.6506 7.8610 7.8610 8.6324 8.6324 8.7885 8.7885 k = 0.0000 0.6424 0.2020 ( 3838 PWs) bands (ev): -41.2918 -41.2918 -41.2752 -41.2752 -41.0732 -41.0732 -41.0731 -41.0731 -9.7706 -9.7706 -9.7303 -9.7303 -9.7120 -9.7120 -9.7015 -9.7015 -9.3131 -9.3131 -9.3052 -9.3052 -9.2323 -9.2323 -9.2239 -9.2239 -9.1868 -9.1868 -9.1478 -9.1478 -2.5197 -2.5197 0.8984 0.8984 2.3093 2.3093 3.5979 3.5979 3.7399 3.7399 5.5153 5.5153 7.9403 7.9403 8.5110 8.5110 8.9063 8.9063 k = 0.0000 0.6424 0.2188 ( 3842 PWs) bands (ev): -41.2916 -41.2916 -41.2754 -41.2754 -41.0732 -41.0732 -41.0731 -41.0731 -9.7707 -9.7707 -9.7314 -9.7314 -9.7118 -9.7118 -9.7008 -9.7008 -9.3126 -9.3126 -9.3051 -9.3051 -9.2320 -9.2320 -9.2249 -9.2249 -9.1871 -9.1871 -9.1465 -9.1465 -2.4838 -2.4838 0.8913 0.8913 2.2892 2.2892 3.5146 3.5146 3.7462 3.7462 5.3816 5.3816 7.9776 7.9776 8.3897 8.3897 9.0288 9.0288 k = 0.0000 0.6424 0.2356 ( 3844 PWs) bands (ev): -41.2913 -41.2913 -41.2756 -41.2756 -41.0732 -41.0732 -41.0731 -41.0731 -9.7708 -9.7708 -9.7324 -9.7324 -9.7116 -9.7116 -9.7002 -9.7002 -9.3121 -9.3121 -9.3050 -9.3050 -9.2320 -9.2320 -9.2256 -9.2256 -9.1872 -9.1872 -9.1454 -9.1454 -2.4451 -2.4451 0.8794 0.8794 2.2658 2.2658 3.4437 3.4437 3.7535 3.7535 5.2496 5.2496 7.9792 7.9792 8.2711 8.2711 9.1614 9.1614 k = 0.0000 0.6424 0.2525 ( 3844 PWs) bands (ev): -41.2911 -41.2911 -41.2758 -41.2758 -41.0732 -41.0732 -41.0731 -41.0731 -9.7708 -9.7708 -9.7334 -9.7334 -9.7114 -9.7114 -9.6997 -9.6997 -9.3117 -9.3117 -9.3048 -9.3048 -9.2324 -9.2324 -9.2258 -9.2258 -9.1872 -9.1872 -9.1444 -9.1444 -2.4035 -2.4035 0.8615 0.8615 2.2402 2.2402 3.3862 3.3862 3.7611 3.7611 5.1195 5.1195 7.9555 7.9555 8.1556 8.1556 9.2897 9.2897 k = 0.0000 0.6424 0.2693 ( 3842 PWs) bands (ev): -41.2908 -41.2908 -41.2761 -41.2761 -41.0733 -41.0733 -41.0732 -41.0732 -9.7707 -9.7707 -9.7344 -9.7344 -9.7111 -9.7111 -9.6992 -9.6992 -9.3113 -9.3113 -9.3044 -9.3044 -9.2333 -9.2333 -9.2256 -9.2256 -9.1871 -9.1871 -9.1435 -9.1435 -2.3591 -2.3591 0.8364 0.8364 2.2141 2.2141 3.3420 3.3420 3.7685 3.7685 4.9913 4.9913 7.9151 7.9151 8.0438 8.0438 9.4121 9.4121 k = 0.0000 0.6424 0.2861 ( 3842 PWs) bands (ev): -41.2905 -41.2905 -41.2763 -41.2763 -41.0733 -41.0733 -41.0732 -41.0732 -9.7706 -9.7706 -9.7354 -9.7354 -9.7109 -9.7109 -9.6988 -9.6988 -9.3111 -9.3111 -9.3041 -9.3041 -9.2342 -9.2342 -9.2252 -9.2252 -9.1868 -9.1868 -9.1427 -9.1427 -2.3118 -2.3118 0.8030 0.8030 2.1895 2.1895 3.3103 3.3103 3.7757 3.7757 4.8651 4.8651 7.8640 7.8640 7.9360 7.9360 9.5303 9.5303 k = 0.0000 0.6424 0.3029 ( 3838 PWs) bands (ev): -41.2901 -41.2901 -41.2766 -41.2766 -41.0733 -41.0733 -41.0732 -41.0732 -9.7704 -9.7704 -9.7364 -9.7364 -9.7106 -9.7106 -9.6985 -9.6985 -9.3108 -9.3108 -9.3037 -9.3037 -9.2352 -9.2352 -9.2247 -9.2247 -9.1863 -9.1863 -9.1421 -9.1421 -2.2617 -2.2617 0.7604 0.7604 2.1687 2.1687 3.2898 3.2898 3.7823 3.7823 4.7410 4.7410 7.8056 7.8056 7.8331 7.8331 9.6453 9.6453 k = 0.0000 0.6424 0.3198 ( 3836 PWs) bands (ev): -41.2898 -41.2898 -41.2769 -41.2769 -41.0733 -41.0733 -41.0732 -41.0732 -9.7702 -9.7702 -9.7374 -9.7374 -9.7104 -9.7104 -9.6983 -9.6983 -9.3107 -9.3107 -9.3033 -9.3033 -9.2362 -9.2362 -9.2243 -9.2243 -9.1856 -9.1856 -9.1416 -9.1416 -2.2088 -2.2088 0.7082 0.7082 2.1535 2.1535 3.2790 3.2790 3.7882 3.7882 4.6191 4.6191 7.7301 7.7301 7.7478 7.7478 9.7574 9.7574 k = 0.0000 0.6424 0.3366 ( 3836 PWs) bands (ev): -41.2895 -41.2895 -41.2771 -41.2771 -41.0733 -41.0733 -41.0732 -41.0732 -9.7699 -9.7699 -9.7385 -9.7385 -9.7101 -9.7101 -9.6981 -9.6981 -9.3106 -9.3106 -9.3029 -9.3029 -9.2370 -9.2370 -9.2239 -9.2239 -9.1847 -9.1847 -9.1413 -9.1413 -2.1530 -2.1530 0.6465 0.6465 2.1454 2.1454 3.2766 3.2766 3.7930 3.7930 4.4995 4.4995 7.6372 7.6372 7.6824 7.6824 9.8669 9.8669 k = 0.0000 0.6424 0.3534 ( 3830 PWs) bands (ev): -41.2891 -41.2891 -41.2774 -41.2774 -41.0734 -41.0734 -41.0733 -41.0733 -9.7695 -9.7695 -9.7395 -9.7395 -9.7097 -9.7097 -9.6981 -9.6981 -9.3104 -9.3104 -9.3026 -9.3026 -9.2378 -9.2378 -9.2237 -9.2237 -9.1837 -9.1837 -9.1411 -9.1411 -2.0945 -2.0945 0.5758 0.5758 2.1452 2.1452 3.2812 3.2812 3.7964 3.7964 4.3825 4.3825 7.5481 7.5481 7.6174 7.6174 9.9741 9.9741 k = 0.0000 0.6424 0.3703 ( 3828 PWs) bands (ev): -41.2888 -41.2888 -41.2778 -41.2778 -41.0734 -41.0734 -41.0733 -41.0733 -9.7691 -9.7691 -9.7406 -9.7406 -9.7094 -9.7094 -9.6981 -9.6981 -9.3103 -9.3103 -9.3023 -9.3023 -9.2383 -9.2383 -9.2235 -9.2235 -9.1825 -9.1825 -9.1411 -9.1411 -2.0331 -2.0331 0.4971 0.4971 2.1530 2.1530 3.2916 3.2916 3.7980 3.7980 4.2683 4.2683 7.4642 7.4642 7.5526 7.5526 10.0792 10.0792 k = 0.0000 0.6424 0.3871 ( 3830 PWs) bands (ev): -41.2884 -41.2884 -41.2781 -41.2781 -41.0734 -41.0734 -41.0733 -41.0733 -9.7686 -9.7686 -9.7416 -9.7416 -9.7091 -9.7091 -9.6982 -9.6982 -9.3102 -9.3102 -9.3021 -9.3021 -9.2388 -9.2388 -9.2235 -9.2235 -9.1812 -9.1812 -9.1413 -9.1413 -1.9690 -1.9690 0.4114 0.4114 2.1688 2.1688 3.3067 3.3067 3.7969 3.7969 4.1576 4.1576 7.3858 7.3858 7.4887 7.4887 10.1824 10.1824 k = 0.0000 0.6424 0.4039 ( 3828 PWs) bands (ev): -41.2880 -41.2880 -41.2784 -41.2784 -41.0734 -41.0734 -41.0733 -41.0733 -9.7681 -9.7681 -9.7427 -9.7427 -9.7086 -9.7086 -9.6983 -9.6983 -9.3101 -9.3101 -9.3020 -9.3020 -9.2390 -9.2390 -9.2236 -9.2236 -9.1797 -9.1797 -9.1416 -9.1416 -1.9021 -1.9021 0.3200 0.3200 2.1920 2.1920 3.3257 3.3257 3.7915 3.7915 4.0519 4.0519 7.3132 7.3132 7.4263 7.4263 10.2838 10.2838 k = 0.0000 0.6424 0.4208 ( 3832 PWs) bands (ev): -41.2876 -41.2876 -41.2788 -41.2788 -41.0734 -41.0734 -41.0734 -41.0734 -9.7675 -9.7675 -9.7439 -9.7439 -9.7083 -9.7083 -9.6985 -9.6985 -9.3100 -9.3100 -9.3020 -9.3020 -9.2391 -9.2391 -9.2238 -9.2238 -9.1781 -9.1781 -9.1421 -9.1421 -1.8325 -1.8325 0.2241 0.2241 2.2221 2.2221 3.3479 3.3479 3.7773 3.7773 3.9557 3.9557 7.2467 7.2467 7.3660 7.3660 10.3750 10.3750 k = 0.0000 0.6424 0.4376 ( 3834 PWs) bands (ev): -41.2872 -41.2872 -41.2791 -41.2791 -41.0734 -41.0734 -41.0734 -41.0734 -9.7668 -9.7668 -9.7450 -9.7450 -9.7079 -9.7079 -9.6988 -9.6988 -9.3098 -9.3098 -9.3021 -9.3021 -9.2390 -9.2390 -9.2242 -9.2242 -9.1764 -9.1764 -9.1428 -9.1428 -1.7602 -1.7602 0.1248 0.1248 2.2585 2.2585 3.3726 3.3726 3.7417 3.7417 3.8813 3.8813 7.1864 7.1864 7.3082 7.3082 10.4396 10.4396 k = 0.0000 0.6424 0.4544 ( 3836 PWs) bands (ev): -41.2868 -41.2868 -41.2795 -41.2795 -41.0735 -41.0735 -41.0734 -41.0734 -9.7660 -9.7660 -9.7461 -9.7461 -9.7075 -9.7075 -9.6991 -9.6991 -9.3096 -9.3096 -9.3022 -9.3022 -9.2388 -9.2388 -9.2246 -9.2246 -9.1746 -9.1746 -9.1436 -9.1436 -1.6853 -1.6853 0.0231 0.0231 2.3006 2.3006 3.3992 3.3992 3.6729 3.6729 3.8404 3.8404 7.1325 7.1325 7.2533 7.2533 10.5051 10.5051 k = 0.0000 0.6424 0.4712 ( 3836 PWs) bands (ev): -41.2864 -41.2864 -41.2798 -41.2798 -41.0735 -41.0735 -41.0734 -41.0734 -9.7652 -9.7652 -9.7473 -9.7473 -9.7071 -9.7071 -9.6995 -9.6995 -9.3094 -9.3094 -9.3025 -9.3025 -9.2384 -9.2384 -9.2252 -9.2252 -9.1727 -9.1727 -9.1446 -9.1446 -1.6077 -1.6077 -0.0802 -0.0802 2.3480 2.3480 3.4270 3.4270 3.5852 3.5852 3.8190 3.8190 7.0853 7.0853 7.2017 7.2017 10.5729 10.5729 k = 0.0000 0.6424 0.4881 ( 3840 PWs) bands (ev): -41.2860 -41.2860 -41.2802 -41.2802 -41.0735 -41.0735 -41.0734 -41.0734 -9.7643 -9.7643 -9.7485 -9.7485 -9.7066 -9.7066 -9.6999 -9.6999 -9.3091 -9.3091 -9.3028 -9.3028 -9.2379 -9.2379 -9.2258 -9.2258 -9.1708 -9.1708 -9.1457 -9.1457 -1.5275 -1.5275 -0.1844 -0.1844 2.4002 2.4002 3.4522 3.4522 3.4959 3.4959 3.8031 3.8031 7.0448 7.0448 7.1539 7.1539 10.6433 10.6433 k = 0.0000 0.6424 0.5049 ( 3832 PWs) bands (ev): -41.2856 -41.2856 -41.2806 -41.2806 -41.0735 -41.0735 -41.0735 -41.0735 -9.7633 -9.7633 -9.7496 -9.7496 -9.7061 -9.7061 -9.7003 -9.7003 -9.3087 -9.3087 -9.3032 -9.3032 -9.2372 -9.2372 -9.2265 -9.2265 -9.1687 -9.1687 -9.1469 -9.1469 -1.4447 -1.4447 -0.2888 -0.2888 2.4567 2.4567 3.3942 3.3942 3.4900 3.4900 3.7877 3.7877 7.0111 7.0111 7.1101 7.1101 10.7162 10.7162 k = 0.0000 0.6424 0.5217 ( 3832 PWs) bands (ev): -41.2852 -41.2852 -41.2810 -41.2810 -41.0735 -41.0735 -41.0735 -41.0735 -9.7623 -9.7623 -9.7508 -9.7508 -9.7056 -9.7056 -9.7007 -9.7007 -9.3084 -9.3084 -9.3036 -9.3036 -9.2365 -9.2365 -9.2272 -9.2272 -9.1667 -9.1667 -9.1483 -9.1483 -1.3595 -1.3595 -0.3931 -0.3931 2.5174 2.5174 3.3028 3.3028 3.5191 3.5191 3.7714 3.7714 6.9843 6.9843 7.0708 7.0708 10.7916 10.7916 k = 0.0000 0.6424 0.5386 ( 3836 PWs) bands (ev): -41.2847 -41.2847 -41.2814 -41.2814 -41.0735 -41.0735 -41.0735 -41.0735 -9.7613 -9.7613 -9.7520 -9.7520 -9.7052 -9.7052 -9.7012 -9.7012 -9.3080 -9.3080 -9.3041 -9.3041 -9.2357 -9.2357 -9.2281 -9.2281 -9.1647 -9.1647 -9.1498 -9.1498 -1.2719 -1.2719 -0.4967 -0.4967 2.5819 2.5819 3.2123 3.2123 3.5490 3.5490 3.7533 3.7533 6.9643 6.9643 7.0361 7.0361 10.8696 10.8696 k = 0.0000 0.6424 0.5554 ( 3836 PWs) bands (ev): -41.2843 -41.2843 -41.2818 -41.2818 -41.0735 -41.0735 -41.0735 -41.0735 -9.7603 -9.7603 -9.7532 -9.7532 -9.7047 -9.7047 -9.7017 -9.7017 -9.3076 -9.3076 -9.3046 -9.3046 -9.2348 -9.2348 -9.2290 -9.2290 -9.1626 -9.1626 -9.1514 -9.1514 -1.1819 -1.1819 -0.5994 -0.5994 2.6500 2.6500 3.1238 3.1238 3.5788 3.5788 3.7335 3.7335 6.9511 6.9511 7.0066 7.0066 10.9501 10.9501 k = 0.0000 0.6424 0.5722 ( 3834 PWs) bands (ev): -41.2839 -41.2839 -41.2822 -41.2822 -41.0735 -41.0735 -41.0735 -41.0735 -9.7591 -9.7591 -9.7544 -9.7544 -9.7042 -9.7042 -9.7022 -9.7022 -9.3071 -9.3071 -9.3051 -9.3051 -9.2339 -9.2339 -9.2299 -9.2299 -9.1606 -9.1606 -9.1530 -9.1530 -1.0897 -1.0897 -0.7008 -0.7008 2.7214 2.7214 3.0378 3.0378 3.6078 3.6078 3.7117 3.7117 6.9447 6.9447 6.9824 6.9824 11.0330 11.0330 k = 0.0000 0.6424 0.5891 ( 3830 PWs) bands (ev): -41.2835 -41.2835 -41.2826 -41.2826 -41.0735 -41.0735 -41.0735 -41.0735 -9.7580 -9.7580 -9.7556 -9.7556 -9.7037 -9.7037 -9.7027 -9.7027 -9.3066 -9.3066 -9.3056 -9.3056 -9.2329 -9.2329 -9.2309 -9.2309 -9.1586 -9.1586 -9.1548 -9.1548 -0.9954 -0.9954 -0.8008 -0.8008 2.7961 2.7961 2.9544 2.9544 3.6359 3.6359 3.6881 3.6881 6.9447 6.9447 6.9638 6.9638 11.1181 11.1181 k = 0.0000 0.6424 0.6059 ( 3832 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7568 -9.7568 -9.7032 -9.7032 -9.7032 -9.7032 -9.3061 -9.3061 -9.3061 -9.3061 -9.2319 -9.2319 -9.2319 -9.2319 -9.1567 -9.1567 -9.1567 -9.1567 -0.8990 -0.8990 -0.8990 -0.8990 2.8738 2.8738 2.8738 2.8738 3.6627 3.6627 3.6627 3.6627 6.9512 6.9512 6.9512 6.9512 11.2046 11.2046 k = 0.0000 0.6424 0.6059 ( 3832 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7568 -9.7568 -9.7032 -9.7032 -9.7032 -9.7032 -9.3061 -9.3061 -9.3061 -9.3061 -9.2319 -9.2319 -9.2319 -9.2319 -9.1567 -9.1567 -9.1567 -9.1567 -0.8990 -0.8990 -0.8990 -0.8990 2.8738 2.8738 2.8738 2.8738 3.6627 3.6627 3.6627 3.6627 6.9512 6.9512 6.9512 6.9512 11.2046 11.2046 k = 0.0162 0.6424 0.6059 ( 3830 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7568 -9.7568 -9.7032 -9.7032 -9.7032 -9.7032 -9.3062 -9.3062 -9.3060 -9.3060 -9.2319 -9.2319 -9.2318 -9.2318 -9.1567 -9.1567 -9.1566 -9.1566 -0.8988 -0.8988 -0.8988 -0.8988 2.8740 2.8740 2.8745 2.8745 3.6592 3.6592 3.6598 3.6598 6.9576 6.9576 6.9578 6.9578 11.1567 11.1567 k = 0.0323 0.6424 0.6059 ( 3828 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7568 -9.7568 -9.7032 -9.7032 -9.7031 -9.7031 -9.3063 -9.3063 -9.3059 -9.3059 -9.2320 -9.2320 -9.2318 -9.2318 -9.1567 -9.1567 -9.1565 -9.1565 -0.8983 -0.8983 -0.8983 -0.8983 2.8753 2.8753 2.8763 2.8763 3.6493 3.6493 3.6506 3.6506 6.9768 6.9768 6.9771 6.9771 11.0632 11.0632 k = 0.0485 0.6424 0.6059 ( 3830 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7568 -9.7568 -9.7032 -9.7032 -9.7031 -9.7031 -9.3064 -9.3064 -9.3058 -9.3058 -9.2320 -9.2320 -9.2318 -9.2318 -9.1568 -9.1568 -9.1565 -9.1565 -0.8975 -0.8975 -0.8974 -0.8974 2.8774 2.8774 2.8790 2.8790 3.6334 3.6334 3.6354 3.6354 7.0084 7.0084 7.0090 7.0090 10.9583 10.9583 k = 0.0647 0.6424 0.6059 ( 3842 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7568 -9.7568 -9.7033 -9.7033 -9.7032 -9.7032 -9.3066 -9.3066 -9.3057 -9.3057 -9.2321 -9.2321 -9.2318 -9.2318 -9.1569 -9.1569 -9.1565 -9.1565 -0.8963 -0.8963 -0.8962 -0.8962 2.8805 2.8805 2.8826 2.8826 3.6121 3.6121 3.6148 3.6148 7.0520 7.0520 7.0527 7.0527 10.8509 10.8509 k = 0.0808 0.6424 0.6059 ( 3838 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7568 -9.7568 -9.7033 -9.7033 -9.7031 -9.7031 -9.3067 -9.3067 -9.3056 -9.3056 -9.2322 -9.2322 -9.2317 -9.2317 -9.1570 -9.1570 -9.1565 -9.1565 -0.8949 -0.8949 -0.8947 -0.8947 2.8842 2.8842 2.8870 2.8870 3.5861 3.5861 3.5895 3.5895 7.1067 7.1067 7.1076 7.1076 10.7439 10.7439 k = 0.0970 0.6424 0.6059 ( 3838 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7568 -9.7568 -9.7033 -9.7033 -9.7031 -9.7031 -9.3068 -9.3068 -9.3055 -9.3055 -9.2322 -9.2322 -9.2317 -9.2317 -9.1570 -9.1570 -9.1565 -9.1565 -0.8932 -0.8932 -0.8930 -0.8930 2.8886 2.8886 2.8921 2.8921 3.5563 3.5563 3.5605 3.5605 7.1718 7.1718 7.1728 7.1728 10.6385 10.6385 k = 0.1132 0.6424 0.6059 ( 3842 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7569 -9.7569 -9.7033 -9.7033 -9.7030 -9.7030 -9.3069 -9.3069 -9.3054 -9.3054 -9.2323 -9.2323 -9.2317 -9.2317 -9.1571 -9.1571 -9.1565 -9.1565 -0.8913 -0.8913 -0.8911 -0.8911 2.8934 2.8934 2.8976 2.8976 3.5237 3.5237 3.5288 3.5288 7.2462 7.2462 7.2474 7.2474 10.5354 10.5354 k = 0.1293 0.6424 0.6059 ( 3840 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7569 -9.7569 -9.7033 -9.7033 -9.7030 -9.7030 -9.3069 -9.3069 -9.3053 -9.3053 -9.2323 -9.2323 -9.2317 -9.2317 -9.1572 -9.1572 -9.1564 -9.1564 -0.8893 -0.8893 -0.8891 -0.8891 2.8982 2.8982 2.9033 2.9033 3.4893 3.4893 3.4954 3.4954 7.3289 7.3289 7.3301 7.3301 10.4354 10.4354 k = 0.1455 0.6424 0.6059 ( 3840 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7569 -9.7569 -9.7033 -9.7033 -9.7029 -9.7029 -9.3070 -9.3070 -9.3052 -9.3052 -9.2323 -9.2323 -9.2316 -9.2316 -9.1573 -9.1573 -9.1564 -9.1564 -0.8872 -0.8872 -0.8869 -0.8869 2.9028 2.9028 2.9089 2.9089 3.4544 3.4544 3.4615 3.4615 7.4186 7.4186 7.4200 7.4200 10.3390 10.3390 k = 0.1617 0.6424 0.6059 ( 3838 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7569 -9.7569 -9.7032 -9.7032 -9.7029 -9.7029 -9.3071 -9.3071 -9.3051 -9.3051 -9.2324 -9.2324 -9.2316 -9.2316 -9.1573 -9.1573 -9.1564 -9.1564 -0.8850 -0.8850 -0.8848 -0.8848 2.9066 2.9066 2.9138 2.9138 3.4202 3.4202 3.4284 3.4284 7.5143 7.5143 7.5157 7.5157 10.2469 10.2469 k = 0.1778 0.6424 0.6059 ( 3836 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7569 -9.7569 -9.7032 -9.7032 -9.7028 -9.7028 -9.3071 -9.3071 -9.3050 -9.3050 -9.2324 -9.2324 -9.2316 -9.2316 -9.1573 -9.1573 -9.1564 -9.1564 -0.8830 -0.8830 -0.8827 -0.8827 2.9091 2.9091 2.9174 2.9174 3.3881 3.3881 3.3975 3.3975 7.6144 7.6144 7.6159 7.6159 10.1599 10.1599 k = 0.1940 0.6424 0.6059 ( 3832 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7569 -9.7569 -9.7032 -9.7032 -9.7028 -9.7028 -9.3071 -9.3071 -9.3049 -9.3049 -9.2324 -9.2324 -9.2316 -9.2316 -9.1574 -9.1574 -9.1564 -9.1564 -0.8811 -0.8811 -0.8808 -0.8808 2.9096 2.9096 2.9191 2.9191 3.3593 3.3593 3.3700 3.3700 7.7175 7.7175 7.7190 7.7190 10.0790 10.0790 k = 0.2102 0.6424 0.6059 ( 3836 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7570 -9.7570 -9.7569 -9.7569 -9.7032 -9.7032 -9.7028 -9.7028 -9.3072 -9.3072 -9.3049 -9.3049 -9.2325 -9.2325 -9.2316 -9.2316 -9.1575 -9.1575 -9.1564 -9.1564 -0.8794 -0.8794 -0.8791 -0.8791 2.9073 2.9073 2.9180 2.9180 3.3354 3.3354 3.3473 3.3473 7.8218 7.8218 7.8233 7.8233 10.0055 10.0055 k = 0.2263 0.6424 0.6059 ( 3836 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7570 -9.7570 -9.7569 -9.7569 -9.7032 -9.7032 -9.7027 -9.7027 -9.3072 -9.3072 -9.3048 -9.3048 -9.2325 -9.2325 -9.2316 -9.2316 -9.1575 -9.1575 -9.1565 -9.1565 -0.8781 -0.8781 -0.8778 -0.8778 2.9018 2.9018 2.9135 2.9135 3.3176 3.3176 3.3305 3.3305 7.9250 7.9250 7.9265 7.9265 9.9412 9.9412 k = 0.2425 0.6424 0.6059 ( 3830 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7570 -9.7570 -9.7569 -9.7569 -9.7032 -9.7032 -9.7027 -9.7027 -9.3073 -9.3073 -9.3047 -9.3047 -9.2326 -9.2326 -9.2315 -9.2315 -9.1575 -9.1575 -9.1564 -9.1564 -0.8772 -0.8772 -0.8768 -0.8768 2.8928 2.8928 2.9052 2.9052 3.3068 3.3068 3.3203 3.3203 8.0246 8.0246 8.0261 8.0261 9.8882 9.8882 k = 0.2586 0.6424 0.6059 ( 3830 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7570 -9.7570 -9.7569 -9.7569 -9.7031 -9.7031 -9.7026 -9.7026 -9.3073 -9.3073 -9.3047 -9.3047 -9.2326 -9.2326 -9.2315 -9.2315 -9.1576 -9.1576 -9.1565 -9.1565 -0.8768 -0.8768 -0.8764 -0.8764 2.8806 2.8806 2.8934 2.8934 3.3031 3.3031 3.3170 3.3170 8.1174 8.1174 8.1188 8.1188 9.8494 9.8494 k = 0.2748 0.6424 0.6059 ( 3832 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7571 -9.7571 -9.7570 -9.7570 -9.7031 -9.7031 -9.7026 -9.7026 -9.3073 -9.3073 -9.3047 -9.3047 -9.2326 -9.2326 -9.2316 -9.2316 -9.1576 -9.1576 -9.1565 -9.1565 -0.8770 -0.8770 -0.8767 -0.8767 2.8658 2.8658 2.8786 2.8786 3.3064 3.3064 3.3204 3.3204 8.1997 8.1997 8.2011 8.2011 9.8279 9.8279 k = 0.2910 0.6424 0.6059 ( 3836 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7571 -9.7571 -9.7570 -9.7570 -9.7031 -9.7031 -9.7026 -9.7026 -9.3073 -9.3073 -9.3047 -9.3047 -9.2326 -9.2326 -9.2316 -9.2316 -9.1577 -9.1577 -9.1566 -9.1566 -0.8780 -0.8780 -0.8776 -0.8776 2.8494 2.8494 2.8620 2.8620 3.3160 3.3160 3.3298 3.3298 8.2678 8.2678 8.2691 8.2691 9.8274 9.8274 k = 0.3071 0.6424 0.6059 ( 3834 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7571 -9.7571 -9.7570 -9.7570 -9.7031 -9.7031 -9.7025 -9.7025 -9.3073 -9.3073 -9.3046 -9.3046 -9.2327 -9.2327 -9.2316 -9.2316 -9.1578 -9.1578 -9.1566 -9.1566 -0.8797 -0.8797 -0.8793 -0.8793 2.8325 2.8325 2.8448 2.8448 3.3309 3.3309 3.3444 3.3444 8.3183 8.3183 8.3195 8.3195 9.8508 9.8508 k = 0.3071 0.6424 0.6059 ( 3834 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7571 -9.7571 -9.7570 -9.7570 -9.7031 -9.7031 -9.7025 -9.7025 -9.3073 -9.3073 -9.3046 -9.3046 -9.2327 -9.2327 -9.2316 -9.2316 -9.1578 -9.1578 -9.1566 -9.1566 -0.8797 -0.8797 -0.8793 -0.8793 2.8325 2.8325 2.8448 2.8448 3.3309 3.3309 3.3444 3.3444 8.3183 8.3183 8.3195 8.3195 9.8508 9.8508 k = 0.3000 0.6275 0.6059 ( 3830 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7570 -9.7570 -9.7569 -9.7569 -9.7031 -9.7031 -9.7026 -9.7026 -9.3073 -9.3073 -9.3047 -9.3047 -9.2326 -9.2326 -9.2315 -9.2315 -9.1577 -9.1577 -9.1565 -9.1565 -0.8754 -0.8754 -0.8750 -0.8750 2.8730 2.8730 2.8862 2.8862 3.2928 3.2928 3.3071 3.3071 8.2220 8.2220 8.2234 8.2234 9.7663 9.7663 k = 0.2929 0.6126 0.6059 ( 3830 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7570 -9.7570 -9.7569 -9.7569 -9.7031 -9.7031 -9.7026 -9.7026 -9.3073 -9.3073 -9.3047 -9.3047 -9.2325 -9.2325 -9.2315 -9.2315 -9.1576 -9.1576 -9.1564 -9.1564 -0.8729 -0.8729 -0.8726 -0.8726 2.9148 2.9148 2.9289 2.9289 3.2611 3.2611 3.2764 3.2764 8.1278 8.1278 8.1292 8.1292 9.6838 9.6838 k = 0.2857 0.5976 0.6059 ( 3838 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7570 -9.7570 -9.7569 -9.7569 -9.7032 -9.7032 -9.7027 -9.7027 -9.3073 -9.3073 -9.3048 -9.3048 -9.2325 -9.2325 -9.2315 -9.2315 -9.1575 -9.1575 -9.1564 -9.1564 -0.8724 -0.8724 -0.8720 -0.8720 2.9577 2.9577 2.9728 2.9728 3.2360 3.2360 3.2523 3.2523 8.0356 8.0356 8.0372 8.0372 9.6032 9.6032 k = 0.2786 0.5827 0.6059 ( 3838 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7570 -9.7570 -9.7569 -9.7569 -9.7032 -9.7032 -9.7028 -9.7028 -9.3073 -9.3073 -9.3048 -9.3048 -9.2325 -9.2325 -9.2315 -9.2315 -9.1575 -9.1575 -9.1563 -9.1563 -0.8738 -0.8738 -0.8735 -0.8735 3.0017 3.0017 3.0178 3.0178 3.2178 3.2178 3.2350 3.2350 7.9456 7.9456 7.9474 7.9474 9.5246 9.5246 k = 0.2714 0.5677 0.6059 ( 3838 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7569 -9.7569 -9.7032 -9.7032 -9.7028 -9.7028 -9.3073 -9.3073 -9.3048 -9.3048 -9.2324 -9.2324 -9.2315 -9.2315 -9.1574 -9.1574 -9.1563 -9.1563 -0.8773 -0.8773 -0.8771 -0.8771 3.0469 3.0469 3.0636 3.0636 3.2067 3.2067 3.2246 3.2246 7.8579 7.8579 7.8598 7.8598 9.4481 9.4481 k = 0.2643 0.5528 0.6059 ( 3842 PWs) bands (ev): -41.2830 -41.2830 -41.2830 -41.2830 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7569 -9.7569 -9.7033 -9.7033 -9.7029 -9.7029 -9.3074 -9.3074 -9.3049 -9.3049 -9.2324 -9.2324 -9.2315 -9.2315 -9.1574 -9.1574 -9.1562 -9.1562 -0.8829 -0.8829 -0.8827 -0.8827 3.0930 3.0930 3.1097 3.1097 3.2034 3.2034 3.2214 3.2214 7.7724 7.7724 7.7744 7.7744 9.3737 9.3737 k = 0.2571 0.5378 0.6059 ( 3850 PWs) bands (ev): -41.2830 -41.2830 -41.2830 -41.2830 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7569 -9.7569 -9.7034 -9.7034 -9.7030 -9.7030 -9.3074 -9.3074 -9.3049 -9.3049 -9.2324 -9.2324 -9.2315 -9.2315 -9.1574 -9.1574 -9.1562 -9.1562 -0.8906 -0.8906 -0.8904 -0.8904 3.1396 3.1396 3.1536 3.1536 3.2103 3.2103 3.2255 3.2255 7.6892 7.6892 7.6913 7.6913 9.3013 9.3013 k = 0.2500 0.5229 0.6059 ( 3838 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7569 -9.7569 -9.7568 -9.7568 -9.7034 -9.7034 -9.7031 -9.7031 -9.3073 -9.3073 -9.3049 -9.3049 -9.2323 -9.2323 -9.2315 -9.2315 -9.1573 -9.1573 -9.1561 -9.1561 -0.9003 -0.9003 -0.9002 -0.9002 3.1854 3.1854 3.1875 3.1875 3.2351 3.2351 3.2382 3.2382 7.6083 7.6083 7.6106 7.6106 9.2311 9.2311 k = 0.2429 0.5080 0.6059 ( 3834 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7568 -9.7568 -9.7034 -9.7034 -9.7031 -9.7031 -9.3073 -9.3073 -9.3050 -9.3050 -9.2323 -9.2323 -9.2314 -9.2314 -9.1572 -9.1572 -9.1561 -9.1561 -0.9120 -0.9120 -0.9120 -0.9120 3.2104 3.2104 3.2263 3.2263 3.2637 3.2637 3.2786 3.2786 7.5298 7.5298 7.5322 7.5322 9.1630 9.1630 k = 0.2357 0.4930 0.6059 ( 3828 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7567 -9.7567 -9.7035 -9.7035 -9.7032 -9.7032 -9.3073 -9.3073 -9.3050 -9.3050 -9.2322 -9.2322 -9.2314 -9.2314 -9.1572 -9.1572 -9.1560 -9.1560 -0.9257 -0.9257 -0.9257 -0.9257 3.2333 3.2333 3.2588 3.2588 3.3052 3.3052 3.3297 3.3297 7.4537 7.4537 7.4561 7.4561 9.0970 9.0970 k = 0.2286 0.4781 0.6059 ( 3828 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7567 -9.7567 -9.7035 -9.7035 -9.7033 -9.7033 -9.3073 -9.3073 -9.3051 -9.3051 -9.2322 -9.2322 -9.2314 -9.2314 -9.1572 -9.1572 -9.1560 -9.1560 -0.9412 -0.9412 -0.9411 -0.9411 3.2604 3.2604 3.2902 3.2902 3.3552 3.3552 3.3841 3.3841 7.3799 7.3799 7.3824 7.3824 9.0332 9.0332 k = 0.2214 0.4631 0.6059 ( 3824 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7567 -9.7567 -9.7036 -9.7036 -9.7033 -9.7033 -9.3073 -9.3073 -9.3051 -9.3051 -9.2322 -9.2322 -9.2315 -9.2315 -9.1571 -9.1571 -9.1560 -9.1560 -0.9583 -0.9583 -0.9582 -0.9582 3.2922 3.2922 3.3251 3.3251 3.4089 3.4089 3.4410 3.4410 7.3085 7.3085 7.3111 7.3111 8.9715 8.9715 k = 0.2143 0.4482 0.6059 ( 3836 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7567 -9.7567 -9.7037 -9.7037 -9.7035 -9.7035 -9.3073 -9.3073 -9.3053 -9.3053 -9.2323 -9.2323 -9.2316 -9.2316 -9.1571 -9.1571 -9.1560 -9.1560 -0.9769 -0.9769 -0.9768 -0.9768 3.3287 3.3287 3.3643 3.3643 3.4653 3.4653 3.5001 3.5001 7.2395 7.2395 7.2422 7.2422 8.9120 8.9120 k = 0.2071 0.4333 0.6059 ( 3834 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7568 -9.7568 -9.7567 -9.7567 -9.7038 -9.7038 -9.7036 -9.7036 -9.3073 -9.3073 -9.3053 -9.3053 -9.2323 -9.2323 -9.2316 -9.2316 -9.1571 -9.1571 -9.1561 -9.1561 -0.9969 -0.9969 -0.9968 -0.9968 3.3696 3.3696 3.4078 3.4078 3.5241 3.5241 3.5617 3.5617 7.1729 7.1729 7.1757 7.1757 8.8547 8.8547 k = 0.2000 0.4183 0.6059 ( 3834 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0734 -41.0734 -41.0734 -41.0734 -9.7568 -9.7568 -9.7566 -9.7566 -9.7039 -9.7039 -9.7037 -9.7037 -9.3072 -9.3072 -9.3053 -9.3053 -9.2323 -9.2323 -9.2317 -9.2317 -9.1571 -9.1571 -9.1561 -9.1561 -1.0180 -1.0180 -1.0179 -1.0179 3.4143 3.4143 3.4548 3.4548 3.5858 3.5858 3.6258 3.6258 7.1088 7.1088 7.1116 7.1116 8.7996 8.7996 k = 0.1929 0.4034 0.6059 ( 3830 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0734 -41.0734 -41.0734 -41.0734 -9.7567 -9.7567 -9.7566 -9.7566 -9.7039 -9.7039 -9.7038 -9.7038 -9.3072 -9.3072 -9.3054 -9.3054 -9.2323 -9.2323 -9.2317 -9.2317 -9.1571 -9.1571 -9.1561 -9.1561 -1.0402 -1.0402 -1.0400 -1.0400 3.4623 3.4623 3.5046 3.5046 3.6508 3.6508 3.6928 3.6928 7.0471 7.0471 7.0500 7.0500 8.7466 8.7466 k = 0.1857 0.3884 0.6059 ( 3830 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0734 -41.0734 -41.0734 -41.0734 -9.7567 -9.7567 -9.7566 -9.7566 -9.7040 -9.7040 -9.7040 -9.7040 -9.3072 -9.3072 -9.3055 -9.3055 -9.2324 -9.2324 -9.2318 -9.2318 -9.1571 -9.1571 -9.1561 -9.1561 -1.0631 -1.0631 -1.0629 -1.0629 3.5128 3.5128 3.5565 3.5565 3.7196 3.7196 3.7631 3.7631 6.9878 6.9878 6.9907 6.9907 8.6958 8.6958 k = 0.1786 0.3735 0.6059 ( 3818 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0734 -41.0734 -41.0734 -41.0734 -9.7567 -9.7567 -9.7565 -9.7565 -9.7041 -9.7041 -9.7040 -9.7040 -9.3071 -9.3071 -9.3055 -9.3055 -9.2324 -9.2324 -9.2319 -9.2319 -9.1571 -9.1571 -9.1561 -9.1561 -1.0866 -1.0866 -1.0864 -1.0864 3.5653 3.5653 3.6096 3.6096 3.7926 3.7926 3.8370 3.8370 6.9310 6.9310 6.9339 6.9339 8.6473 8.6473 k = 0.1714 0.3586 0.6059 ( 3818 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0734 -41.0734 -41.0734 -41.0734 -9.7567 -9.7567 -9.7565 -9.7565 -9.7042 -9.7042 -9.7042 -9.7042 -9.3071 -9.3071 -9.3055 -9.3055 -9.2324 -9.2324 -9.2319 -9.2319 -9.1571 -9.1571 -9.1561 -9.1561 -1.1106 -1.1106 -1.1103 -1.1103 3.6189 3.6189 3.6632 3.6632 3.8703 3.8703 3.9148 3.9148 6.8766 6.8766 6.8795 6.8795 8.6009 8.6009 k = 0.1643 0.3436 0.6059 ( 3810 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0733 -41.0733 -41.0733 -41.0733 -9.7567 -9.7567 -9.7565 -9.7565 -9.7042 -9.7042 -9.7042 -9.7042 -9.3071 -9.3071 -9.3056 -9.3056 -9.2324 -9.2324 -9.2320 -9.2320 -9.1571 -9.1571 -9.1562 -9.1562 -1.1348 -1.1348 -1.1346 -1.1346 3.6732 3.6732 3.7167 3.7167 3.9528 3.9528 3.9968 3.9968 6.8247 6.8247 6.8276 6.8276 8.5567 8.5567 k = 0.1571 0.3287 0.6059 ( 3802 PWs) bands (ev): -41.2833 -41.2833 -41.2833 -41.2833 -41.0733 -41.0733 -41.0733 -41.0733 -9.7566 -9.7566 -9.7564 -9.7564 -9.7043 -9.7043 -9.7043 -9.7043 -9.3070 -9.3070 -9.3056 -9.3056 -9.2324 -9.2324 -9.2320 -9.2320 -9.1570 -9.1570 -9.1562 -9.1562 -1.1591 -1.1591 -1.1589 -1.1589 3.7275 3.7275 3.7696 3.7696 4.0404 4.0404 4.0833 4.0833 6.7752 6.7752 6.7781 6.7781 8.5147 8.5147 k = 0.1500 0.3137 0.6059 ( 3808 PWs) bands (ev): -41.2833 -41.2833 -41.2833 -41.2833 -41.0733 -41.0733 -41.0733 -41.0733 -9.7567 -9.7567 -9.7564 -9.7564 -9.7045 -9.7045 -9.7044 -9.7044 -9.3071 -9.3071 -9.3057 -9.3057 -9.2325 -9.2325 -9.2321 -9.2321 -9.1571 -9.1571 -9.1563 -9.1563 -1.1833 -1.1833 -1.1831 -1.1831 3.7814 3.7814 3.8217 3.8217 4.1329 4.1329 4.1743 4.1743 6.7282 6.7282 6.7310 6.7310 8.4749 8.4749 k = 0.1429 0.2988 0.6059 ( 3816 PWs) bands (ev): -41.2833 -41.2833 -41.2833 -41.2833 -41.0732 -41.0732 -41.0732 -41.0732 -9.7567 -9.7567 -9.7565 -9.7565 -9.7047 -9.7047 -9.7046 -9.7046 -9.3071 -9.3071 -9.3058 -9.3058 -9.2326 -9.2326 -9.2322 -9.2322 -9.1571 -9.1571 -9.1563 -9.1563 -1.2074 -1.2074 -1.2071 -1.2071 3.8344 3.8344 3.8727 3.8727 4.2301 4.2301 4.2698 4.2698 6.6837 6.6837 6.6863 6.6863 8.4373 8.4373 k = 0.1357 0.2839 0.6059 ( 3818 PWs) bands (ev): -41.2834 -41.2834 -41.2834 -41.2834 -41.0732 -41.0732 -41.0732 -41.0732 -9.7567 -9.7567 -9.7565 -9.7565 -9.7048 -9.7048 -9.7047 -9.7047 -9.3071 -9.3071 -9.3059 -9.3059 -9.2327 -9.2327 -9.2324 -9.2324 -9.1571 -9.1571 -9.1564 -9.1564 -1.2310 -1.2310 -1.2308 -1.2308 3.8864 3.8864 3.9224 3.9224 4.3319 4.3319 4.3698 4.3698 6.6416 6.6416 6.6441 6.6441 8.4019 8.4019 k = 0.1286 0.2689 0.6059 ( 3822 PWs) bands (ev): -41.2834 -41.2834 -41.2834 -41.2834 -41.0732 -41.0732 -41.0732 -41.0732 -9.7567 -9.7567 -9.7565 -9.7565 -9.7050 -9.7050 -9.7048 -9.7048 -9.3071 -9.3071 -9.3060 -9.3060 -9.2328 -9.2328 -9.2325 -9.2325 -9.1572 -9.1572 -9.1565 -9.1565 -1.2542 -1.2542 -1.2540 -1.2540 3.9370 3.9370 3.9707 3.9707 4.4381 4.4381 4.4742 4.4742 6.6020 6.6020 6.6044 6.6044 8.3687 8.3687 k = 0.1214 0.2540 0.6059 ( 3826 PWs) bands (ev): -41.2834 -41.2834 -41.2834 -41.2834 -41.0732 -41.0732 -41.0732 -41.0732 -9.7567 -9.7567 -9.7565 -9.7565 -9.7051 -9.7051 -9.7049 -9.7049 -9.3071 -9.3071 -9.3061 -9.3061 -9.2329 -9.2329 -9.2326 -9.2326 -9.1572 -9.1572 -9.1565 -9.1565 -1.2767 -1.2767 -1.2765 -1.2765 3.9860 3.9860 4.0175 4.0175 4.5483 4.5483 4.5826 4.5826 6.5649 6.5649 6.5670 6.5670 8.3375 8.3375 k = 0.1143 0.2390 0.6059 ( 3826 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7567 -9.7567 -9.7565 -9.7565 -9.7052 -9.7052 -9.7050 -9.7050 -9.3070 -9.3070 -9.3062 -9.3062 -9.2330 -9.2330 -9.2327 -9.2327 -9.1572 -9.1572 -9.1566 -9.1566 -1.2985 -1.2985 -1.2983 -1.2983 4.0333 4.0333 4.0626 4.0626 4.6622 4.6622 4.6949 4.6949 6.5302 6.5302 6.5321 6.5321 8.3086 8.3086 k = 0.1071 0.2241 0.6059 ( 3810 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7567 -9.7567 -9.7564 -9.7564 -9.7052 -9.7052 -9.7050 -9.7050 -9.3069 -9.3069 -9.3062 -9.3062 -9.2330 -9.2330 -9.2328 -9.2328 -9.1571 -9.1571 -9.1566 -9.1566 -1.3195 -1.3195 -1.3193 -1.3193 4.0787 4.0787 4.1059 4.1059 4.7796 4.7796 4.8107 4.8107 6.4980 6.4980 6.4996 6.4996 8.2817 8.2817 k = 0.1000 0.2092 0.6059 ( 3810 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7567 -9.7567 -9.7564 -9.7564 -9.7054 -9.7054 -9.7051 -9.7051 -9.3069 -9.3069 -9.3062 -9.3062 -9.2331 -9.2331 -9.2329 -9.2329 -9.1571 -9.1571 -9.1566 -9.1566 -1.3395 -1.3395 -1.3393 -1.3393 4.1221 4.1221 4.1472 4.1472 4.9001 4.9001 4.9298 4.9298 6.4683 6.4683 6.4695 6.4695 8.2570 8.2570 k = 0.0929 0.1942 0.6059 ( 3814 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7567 -9.7567 -9.7565 -9.7565 -9.7055 -9.7055 -9.7053 -9.7053 -9.3069 -9.3069 -9.3063 -9.3063 -9.2331 -9.2331 -9.2330 -9.2330 -9.1572 -9.1572 -9.1567 -9.1567 -1.3585 -1.3585 -1.3583 -1.3583 4.1632 4.1632 4.1863 4.1863 5.0233 5.0233 5.0516 5.0516 6.4410 6.4410 6.4418 6.4418 8.2343 8.2343 k = 0.0857 0.1793 0.6059 ( 3816 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7567 -9.7567 -9.7565 -9.7565 -9.7056 -9.7056 -9.7054 -9.7054 -9.3069 -9.3069 -9.3064 -9.3064 -9.2332 -9.2332 -9.2331 -9.2331 -9.1572 -9.1572 -9.1568 -9.1568 -1.3763 -1.3763 -1.3762 -1.3762 4.2021 4.2021 4.2232 4.2232 5.1487 5.1487 5.1759 5.1759 6.4163 6.4163 6.4165 6.4165 8.2136 8.2136 k = 0.0786 0.1643 0.6059 ( 3816 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7567 -9.7567 -9.7565 -9.7565 -9.7057 -9.7057 -9.7055 -9.7055 -9.3069 -9.3069 -9.3064 -9.3064 -9.2333 -9.2333 -9.2331 -9.2331 -9.1572 -9.1572 -9.1569 -9.1569 -1.3930 -1.3930 -1.3929 -1.3929 4.2384 4.2384 4.2577 4.2577 5.2758 5.2758 5.3019 5.3019 6.3936 6.3936 6.3940 6.3940 8.1950 8.1950 k = 0.0714 0.1494 0.6059 ( 3816 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7567 -9.7567 -9.7565 -9.7565 -9.7058 -9.7058 -9.7056 -9.7056 -9.3069 -9.3069 -9.3065 -9.3065 -9.2333 -9.2333 -9.2332 -9.2332 -9.1572 -9.1572 -9.1569 -9.1569 -1.4085 -1.4085 -1.4083 -1.4083 4.2722 4.2722 4.2897 4.2897 5.4038 5.4038 5.4291 5.4291 6.3731 6.3731 6.3742 6.3742 8.1783 8.1783 k = 0.0643 0.1345 0.6059 ( 3816 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7567 -9.7567 -9.7565 -9.7565 -9.7058 -9.7058 -9.7056 -9.7056 -9.3069 -9.3069 -9.3065 -9.3065 -9.2334 -9.2334 -9.2333 -9.2333 -9.1573 -9.1573 -9.1570 -9.1570 -1.4226 -1.4226 -1.4225 -1.4225 4.3033 4.3033 4.3189 4.3189 5.5319 5.5319 5.5564 5.5564 6.3551 6.3551 6.3571 6.3571 8.1636 8.1636 k = 0.0571 0.1195 0.6059 ( 3812 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0730 -41.0730 -41.0730 -41.0730 -9.7566 -9.7566 -9.7565 -9.7565 -9.7059 -9.7059 -9.7057 -9.7057 -9.3069 -9.3069 -9.3065 -9.3065 -9.2334 -9.2334 -9.2333 -9.2333 -9.1573 -9.1573 -9.1570 -9.1570 -1.4354 -1.4354 -1.4353 -1.4353 4.3315 4.3315 4.3453 4.3453 5.6587 5.6587 5.6826 5.6826 6.3397 6.3397 6.3429 6.3429 8.1509 8.1509 k = 0.0500 0.1046 0.6059 ( 3814 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7565 -9.7565 -9.7059 -9.7059 -9.7058 -9.7058 -9.3069 -9.3069 -9.3066 -9.3066 -9.2335 -9.2335 -9.2334 -9.2334 -9.1573 -9.1573 -9.1570 -9.1570 -1.4468 -1.4468 -1.4467 -1.4467 4.3567 4.3567 4.3688 4.3688 5.7826 5.7826 5.8060 5.8060 6.3273 6.3273 6.3318 6.3318 8.1402 8.1402 k = 0.0429 0.0896 0.6059 ( 3814 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7566 -9.7566 -9.7565 -9.7565 -9.7060 -9.7060 -9.7059 -9.7059 -9.3069 -9.3069 -9.3066 -9.3066 -9.2336 -9.2336 -9.2335 -9.2335 -9.1573 -9.1573 -9.1571 -9.1571 -1.4567 -1.4567 -1.4566 -1.4566 4.3789 4.3789 4.3893 4.3893 5.9007 5.9007 5.9239 5.9239 6.3186 6.3186 6.3248 6.3248 8.1316 8.1316 k = 0.0357 0.0747 0.6059 ( 3818 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7566 -9.7566 -9.7060 -9.7060 -9.7059 -9.7059 -9.3069 -9.3069 -9.3066 -9.3066 -9.2336 -9.2336 -9.2335 -9.2335 -9.1573 -9.1573 -9.1571 -9.1571 -1.4652 -1.4652 -1.4651 -1.4651 4.3980 4.3980 4.4066 4.4066 6.0089 6.0089 6.0320 6.0320 6.3153 6.3153 6.3234 6.3234 8.1253 8.1253 k = 0.0286 0.0598 0.6059 ( 3826 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7566 -9.7566 -9.7061 -9.7061 -9.7060 -9.7060 -9.3069 -9.3069 -9.3067 -9.3067 -9.2337 -9.2337 -9.2336 -9.2336 -9.1573 -9.1573 -9.1572 -9.1572 -1.4721 -1.4721 -1.4721 -1.4721 4.4138 4.4138 4.4207 4.4207 6.1001 6.1001 6.1224 6.1224 6.3218 6.3218 6.3315 6.3315 8.1217 8.1217 k = 0.0214 0.0448 0.6059 ( 3826 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7061 -9.7061 -9.7060 -9.7060 -9.3069 -9.3069 -9.3068 -9.3068 -9.2337 -9.2337 -9.2336 -9.2336 -9.1573 -9.1573 -9.1572 -9.1572 -1.4776 -1.4776 -1.4775 -1.4775 4.4264 4.4264 4.4316 4.4316 6.1648 6.1648 6.1833 6.1833 6.3454 6.3454 6.3539 6.3539 8.1216 8.1218 k = 0.0143 0.0299 0.6059 ( 3830 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7061 -9.7061 -9.7061 -9.7061 -9.3069 -9.3069 -9.3068 -9.3068 -9.2337 -9.2337 -9.2337 -9.2337 -9.1573 -9.1573 -9.1573 -9.1573 -1.4815 -1.4815 -1.4814 -1.4814 4.4357 4.4357 4.4391 4.4391 6.1999 6.1999 6.2115 6.2115 6.3836 6.3836 6.3881 6.3881 8.1265 8.1265 k = 0.0071 0.0149 0.6059 ( 3826 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7061 -9.7061 -9.7061 -9.7061 -9.3068 -9.3068 -9.3068 -9.3068 -9.2337 -9.2337 -9.2337 -9.2337 -9.1573 -9.1573 -9.1573 -9.1573 -1.4838 -1.4838 -1.4838 -1.4838 4.4416 4.4416 4.4433 4.4433 6.2154 6.2154 6.2206 6.2206 6.4168 6.4168 6.4184 6.4184 8.1381 8.1382 k = 0.0000 0.0000 0.6059 ( 3822 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7061 -9.7061 -9.7061 -9.7061 -9.3068 -9.3068 -9.3068 -9.3068 -9.2336 -9.2336 -9.2336 -9.2336 -9.1573 -9.1573 -9.1573 -9.1573 -1.4846 -1.4846 -1.4846 -1.4846 4.4441 4.4441 4.4441 4.4441 6.2211 6.2211 6.2211 6.2211 6.4298 6.4298 6.4298 6.4298 8.1509 8.1509 k = 0.0000 0.0000 0.6059 ( 3822 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7061 -9.7061 -9.7061 -9.7061 -9.3068 -9.3068 -9.3068 -9.3068 -9.2336 -9.2336 -9.2336 -9.2336 -9.1573 -9.1573 -9.1573 -9.1573 -1.4846 -1.4846 -1.4846 -1.4846 4.4441 4.4441 4.4441 4.4441 6.2211 6.2211 6.2211 6.2211 6.4298 6.4298 6.4298 6.4298 8.1509 8.1509 k = 0.0000 0.0000 0.5891 ( 3826 PWs) bands (ev): -41.2842 -41.2842 -41.2833 -41.2833 -41.0730 -41.0730 -41.0727 -41.0727 -9.7579 -9.7579 -9.7555 -9.7555 -9.7066 -9.7066 -9.7056 -9.7056 -9.3073 -9.3073 -9.3063 -9.3063 -9.2349 -9.2349 -9.2324 -9.2324 -9.1594 -9.1594 -9.1553 -9.1553 -1.5795 -1.5795 -1.3874 -1.3874 4.4193 4.4193 4.4637 4.4637 6.2232 6.2232 6.2276 6.2276 6.3476 6.3476 6.5088 6.5088 8.0790 8.0790 k = 0.0000 0.0000 0.5722 ( 3820 PWs) bands (ev): -41.2847 -41.2847 -41.2828 -41.2828 -41.0732 -41.0732 -41.0726 -41.0726 -9.7589 -9.7589 -9.7543 -9.7543 -9.7070 -9.7070 -9.7051 -9.7051 -9.3077 -9.3077 -9.3058 -9.3058 -9.2362 -9.2362 -9.2311 -9.2311 -9.1615 -9.1615 -9.1534 -9.1534 -1.6719 -1.6719 -1.2878 -1.2878 4.3896 4.3896 4.4777 4.4777 6.2282 6.2282 6.2427 6.2427 6.2696 6.2696 6.5821 6.5821 8.0185 8.0185 k = 0.0000 0.0000 0.5554 ( 3818 PWs) bands (ev): -41.2852 -41.2852 -41.2823 -41.2823 -41.0733 -41.0733 -41.0724 -41.0724 -9.7600 -9.7600 -9.7531 -9.7531 -9.7074 -9.7074 -9.7047 -9.7047 -9.3081 -9.3081 -9.3053 -9.3053 -9.2374 -9.2374 -9.2299 -9.2299 -9.1637 -9.1637 -9.1515 -9.1515 -1.7620 -1.7620 -1.1861 -1.1861 4.3558 4.3558 4.4861 4.4861 6.1699 6.1699 6.2603 6.2603 6.2688 6.2688 6.6470 6.6470 7.9723 7.9723 k = 0.0000 0.0000 0.5386 ( 3812 PWs) bands (ev): -41.2856 -41.2856 -41.2819 -41.2819 -41.0734 -41.0734 -41.0723 -41.0723 -9.7611 -9.7611 -9.7519 -9.7519 -9.7078 -9.7078 -9.7041 -9.7041 -9.3085 -9.3085 -9.3048 -9.3048 -9.2385 -9.2385 -9.2287 -9.2287 -9.1659 -9.1659 -9.1498 -9.1498 -1.8495 -1.8495 -1.0821 -1.0821 4.3184 4.3184 4.4889 4.4889 6.0853 6.0853 6.2868 6.2868 6.3019 6.3019 6.7002 6.7002 7.9432 7.9432 k = 0.0000 0.0000 0.5217 ( 3828 PWs) bands (ev): -41.2861 -41.2861 -41.2814 -41.2814 -41.0736 -41.0736 -41.0721 -41.0721 -9.7623 -9.7623 -9.7508 -9.7508 -9.7083 -9.7083 -9.7037 -9.7037 -9.3088 -9.3088 -9.3044 -9.3044 -9.2398 -9.2398 -9.2276 -9.2276 -9.1682 -9.1682 -9.1482 -9.1482 -1.9346 -1.9346 -0.9761 -0.9761 4.2781 4.2781 4.4865 4.4865 6.0000 6.0000 6.3213 6.3213 6.3439 6.3439 6.7390 6.7390 7.9343 7.9343 k = 0.0000 0.0000 0.5049 ( 3818 PWs) bands (ev): -41.2866 -41.2866 -41.2810 -41.2810 -41.0737 -41.0737 -41.0720 -41.0720 -9.7633 -9.7633 -9.7496 -9.7496 -9.7087 -9.7087 -9.7032 -9.7032 -9.3091 -9.3091 -9.3039 -9.3039 -9.2407 -9.2407 -9.2265 -9.2265 -9.1704 -9.1704 -9.1467 -9.1467 -2.0171 -2.0171 -0.8680 -0.8680 4.2357 4.2357 4.4794 4.4794 5.9153 5.9153 6.3622 6.3622 6.3938 6.3938 6.7612 6.7612 7.9475 7.9475 k = 0.0000 0.0000 0.4881 ( 3826 PWs) bands (ev): -41.2870 -41.2870 -41.2805 -41.2805 -41.0738 -41.0738 -41.0718 -41.0718 -9.7643 -9.7643 -9.7485 -9.7485 -9.7090 -9.7090 -9.7028 -9.7028 -9.3093 -9.3093 -9.3036 -9.3036 -9.2416 -9.2416 -9.2255 -9.2255 -9.1726 -9.1726 -9.1454 -9.1454 -2.0970 -2.0970 -0.7579 -0.7579 4.1917 4.1917 4.4680 4.4680 5.8321 5.8321 6.4086 6.4086 6.4509 6.4509 6.7664 6.7664 7.9832 7.9832 k = 0.0000 0.0000 0.4712 ( 3822 PWs) bands (ev): -41.2875 -41.2875 -41.2801 -41.2801 -41.0740 -41.0740 -41.0717 -41.0717 -9.7652 -9.7652 -9.7474 -9.7474 -9.7094 -9.7094 -9.7023 -9.7023 -9.3095 -9.3095 -9.3033 -9.3033 -9.2423 -9.2423 -9.2246 -9.2246 -9.1748 -9.1748 -9.1442 -9.1442 -2.1744 -2.1744 -0.6460 -0.6460 4.1468 4.1468 4.4531 4.4531 5.7505 5.7505 6.4597 6.4597 6.5144 6.5144 6.7561 6.7561 8.0396 8.0396 k = 0.0000 0.0000 0.4544 ( 3818 PWs) bands (ev): -41.2880 -41.2880 -41.2797 -41.2797 -41.0741 -41.0741 -41.0715 -41.0715 -9.7661 -9.7661 -9.7463 -9.7463 -9.7096 -9.7096 -9.7019 -9.7019 -9.3096 -9.3096 -9.3030 -9.3030 -9.2430 -9.2430 -9.2238 -9.2238 -9.1769 -9.1769 -9.1431 -9.1431 -2.2491 -2.2491 -0.5324 -0.5324 4.1015 4.1015 4.4351 4.4351 5.6708 5.6708 6.5150 6.5150 6.5830 6.5830 6.7330 6.7330 8.0463 8.0463 k = 0.0000 0.0000 0.4376 ( 3818 PWs) bands (ev): -41.2884 -41.2884 -41.2793 -41.2793 -41.0742 -41.0742 -41.0714 -41.0714 -9.7669 -9.7669 -9.7452 -9.7452 -9.7099 -9.7099 -9.7015 -9.7015 -9.3097 -9.3097 -9.3029 -9.3029 -9.2434 -9.2434 -9.2231 -9.2231 -9.1789 -9.1789 -9.1421 -9.1421 -2.3212 -2.3212 -0.4172 -0.4172 4.0563 4.0563 4.4148 4.4148 5.5933 5.5933 6.5738 6.5738 6.6557 6.6557 6.7004 6.7004 8.0429 8.0429 k = 0.0000 0.0000 0.4208 ( 3818 PWs) bands (ev): -41.2888 -41.2888 -41.2789 -41.2789 -41.0743 -41.0743 -41.0713 -41.0713 -9.7676 -9.7676 -9.7442 -9.7442 -9.7102 -9.7102 -9.7012 -9.7012 -9.3097 -9.3097 -9.3029 -9.3029 -9.2437 -9.2437 -9.2225 -9.2225 -9.1808 -9.1808 -9.1414 -9.1414 -2.3907 -2.3907 -0.3005 -0.3005 4.0116 4.0116 4.3926 4.3926 5.5180 5.5180 6.6356 6.6356 6.6606 6.6606 6.7316 6.7316 8.0440 8.0440 k = 0.0000 0.0000 0.4039 ( 3810 PWs) bands (ev): -41.2893 -41.2893 -41.2785 -41.2785 -41.0744 -41.0744 -41.0711 -41.0711 -9.7683 -9.7683 -9.7431 -9.7431 -9.7105 -9.7105 -9.7008 -9.7008 -9.3097 -9.3097 -9.3030 -9.3030 -9.2438 -9.2438 -9.2221 -9.2221 -9.1825 -9.1825 -9.1408 -9.1408 -2.4575 -2.4575 -0.1824 -0.1824 3.9677 3.9677 4.3690 4.3690 5.4452 5.4452 6.6166 6.6166 6.7000 6.7000 6.8087 6.8087 8.0504 8.0504 k = 0.0000 0.0000 0.3871 ( 3810 PWs) bands (ev): -41.2897 -41.2897 -41.2781 -41.2781 -41.0745 -41.0745 -41.0710 -41.0710 -9.7689 -9.7689 -9.7421 -9.7421 -9.7107 -9.7107 -9.7006 -9.7006 -9.3096 -9.3096 -9.3032 -9.3032 -9.2437 -9.2437 -9.2218 -9.2218 -9.1842 -9.1842 -9.1403 -9.1403 -2.5217 -2.5217 -0.0633 -0.0633 3.9250 3.9250 4.3444 4.3444 5.3749 5.3749 6.5698 6.5698 6.7664 6.7664 6.8859 6.8859 8.0632 8.0632 k = 0.0000 0.0000 0.3703 ( 3814 PWs) bands (ev): -41.2901 -41.2901 -41.2777 -41.2777 -41.0746 -41.0746 -41.0708 -41.0708 -9.7695 -9.7695 -9.7412 -9.7412 -9.7109 -9.7109 -9.7004 -9.7004 -9.3096 -9.3096 -9.3036 -9.3036 -9.2434 -9.2434 -9.2217 -9.2217 -9.1856 -9.1856 -9.1401 -9.1401 -2.5831 -2.5831 0.0568 0.0568 3.8838 3.8838 4.3194 4.3194 5.3072 5.3072 6.5217 6.5217 6.8344 6.8344 6.9614 6.9614 8.0837 8.0837 k = 0.0000 0.0000 0.3534 ( 3816 PWs) bands (ev): -41.2905 -41.2905 -41.2774 -41.2774 -41.0747 -41.0747 -41.0707 -41.0707 -9.7700 -9.7700 -9.7402 -9.7402 -9.7111 -9.7111 -9.7003 -9.7003 -9.3095 -9.3095 -9.3040 -9.3040 -9.2429 -9.2429 -9.2218 -9.2218 -9.1869 -9.1869 -9.1400 -9.1400 -2.6419 -2.6419 0.1775 0.1775 3.8443 3.8443 4.2941 4.2941 5.2423 5.2423 6.4731 6.4731 6.9036 6.9036 7.0335 7.0335 8.1133 8.1133 k = 0.0000 0.0000 0.3366 ( 3823 PWs) bands (ev): -41.2909 -41.2909 -41.2770 -41.2770 -41.0748 -41.0748 -41.0706 -41.0706 -9.7704 -9.7704 -9.7393 -9.7393 -9.7114 -9.7114 -9.7003 -9.7003 -9.3096 -9.3096 -9.3045 -9.3045 -9.2422 -9.2422 -9.2220 -9.2220 -9.1880 -9.1880 -9.1400 -9.1400 -2.6980 -2.6980 0.2987 0.2987 3.8068 3.8068 4.2688 4.2688 5.1800 5.1800 6.4249 6.4249 6.9736 6.9736 7.1004 7.1004 8.1533 8.1533 k = 0.0000 0.0000 0.3198 ( 3823 PWs) bands (ev): -41.2913 -41.2913 -41.2767 -41.2767 -41.0749 -41.0749 -41.0704 -41.0704 -9.7707 -9.7707 -9.7384 -9.7384 -9.7116 -9.7116 -9.7003 -9.7003 -9.3096 -9.3096 -9.3049 -9.3049 -9.2414 -9.2414 -9.2224 -9.2224 -9.1888 -9.1888 -9.1403 -9.1403 -2.7513 -2.7513 0.4200 0.4200 3.7716 3.7716 4.2438 4.2438 5.1206 5.1206 6.3776 6.3776 7.0439 7.0439 7.1607 7.1607 8.2049 8.2049 k = 0.0000 0.0000 0.3029 ( 3833 PWs) bands (ev): -41.2917 -41.2917 -41.2764 -41.2764 -41.0750 -41.0750 -41.0703 -41.0703 -9.7711 -9.7711 -9.7375 -9.7375 -9.7118 -9.7118 -9.7005 -9.7005 -9.3098 -9.3098 -9.3054 -9.3054 -9.2404 -9.2404 -9.2230 -9.2230 -9.1894 -9.1894 -9.1407 -9.1407 -2.8020 -2.8020 0.5411 0.5411 3.7389 3.7389 4.2194 4.2194 5.0640 5.0640 6.3316 6.3316 7.1140 7.1140 7.2134 7.2134 8.2689 8.2689 k = 0.0000 0.0000 0.2861 ( 3833 PWs) bands (ev): -41.2920 -41.2920 -41.2761 -41.2761 -41.0751 -41.0751 -41.0702 -41.0702 -9.7713 -9.7713 -9.7367 -9.7367 -9.7120 -9.7120 -9.7007 -9.7007 -9.3100 -9.3100 -9.3057 -9.3057 -9.2394 -9.2394 -9.2236 -9.2236 -9.1898 -9.1898 -9.1413 -9.1413 -2.8499 -2.8499 0.6615 0.6615 3.7088 3.7088 4.1956 4.1956 5.0102 5.0102 6.2872 6.2872 7.1834 7.1834 7.2582 7.2582 8.3210 8.3210 k = 0.0000 0.0000 0.2693 ( 3843 PWs) bands (ev): -41.2923 -41.2923 -41.2758 -41.2758 -41.0751 -41.0751 -41.0701 -41.0701 -9.7715 -9.7715 -9.7358 -9.7358 -9.7121 -9.7121 -9.7009 -9.7009 -9.3105 -9.3105 -9.3059 -9.3059 -9.2384 -9.2384 -9.2243 -9.2243 -9.1900 -9.1900 -9.1421 -9.1421 -2.8951 -2.8951 0.7808 0.7808 3.6816 3.6816 4.1726 4.1726 4.9594 4.9594 6.2447 6.2447 7.2513 7.2513 7.2955 7.2955 8.2365 8.2365 k = 0.0000 0.0000 0.2525 ( 3847 PWs) bands (ev): -41.2927 -41.2927 -41.2756 -41.2756 -41.0752 -41.0752 -41.0699 -41.0699 -9.7716 -9.7716 -9.7349 -9.7349 -9.7123 -9.7123 -9.7013 -9.7013 -9.3112 -9.3112 -9.3059 -9.3059 -9.2373 -9.2373 -9.2249 -9.2249 -9.1900 -9.1900 -9.1429 -9.1429 -2.9375 -2.9375 0.8985 0.8985 3.6574 3.6574 4.1506 4.1506 4.9116 4.9116 6.2042 6.2042 7.3132 7.3132 7.3300 7.3300 8.1361 8.1361 k = 0.0000 0.0000 0.2356 ( 3839 PWs) bands (ev): -41.2930 -41.2930 -41.2753 -41.2753 -41.0753 -41.0753 -41.0698 -41.0698 -9.7716 -9.7716 -9.7340 -9.7340 -9.7124 -9.7124 -9.7017 -9.7017 -9.3119 -9.3119 -9.3057 -9.3057 -9.2364 -9.2364 -9.2253 -9.2253 -9.1898 -9.1898 -9.1439 -9.1439 -2.9772 -2.9772 1.0140 1.0140 3.6366 3.6366 4.1296 4.1296 4.8667 4.8667 6.1660 6.1660 7.3449 7.3449 7.3862 7.3862 8.0232 8.0232 k = 0.0000 0.0000 0.2188 ( 3835 PWs) bands (ev): -41.2933 -41.2933 -41.2751 -41.2751 -41.0753 -41.0753 -41.0697 -41.0697 -9.7716 -9.7716 -9.7331 -9.7331 -9.7125 -9.7125 -9.7021 -9.7021 -9.3127 -9.3127 -9.3054 -9.3054 -9.2358 -9.2358 -9.2255 -9.2255 -9.1894 -9.1894 -9.1450 -9.1450 -3.0142 -3.0142 1.1266 1.1266 3.6192 3.6192 4.1098 4.1098 4.8248 4.8248 6.1300 6.1300 7.3639 7.3639 7.4462 7.4462 7.9022 7.9022 k = 0.0000 0.0000 0.2020 ( 3847 PWs) bands (ev): -41.2935 -41.2935 -41.2748 -41.2748 -41.0754 -41.0754 -41.0696 -41.0696 -9.7716 -9.7716 -9.7323 -9.7323 -9.7127 -9.7127 -9.7027 -9.7027 -9.3136 -9.3136 -9.3052 -9.3052 -9.2356 -9.2356 -9.2255 -9.2255 -9.1890 -9.1890 -9.1463 -9.1463 -3.0485 -3.0485 1.2357 1.2357 3.6054 3.6054 4.0912 4.0912 4.7860 4.7860 6.0964 6.0964 7.3782 7.3782 7.4995 7.4995 7.7794 7.7794 k = 0.0000 0.0000 0.1851 ( 3839 PWs) bands (ev): -41.2938 -41.2938 -41.2746 -41.2746 -41.0755 -41.0755 -41.0696 -41.0696 -9.7715 -9.7715 -9.7314 -9.7314 -9.7128 -9.7128 -9.7032 -9.7032 -9.3145 -9.3145 -9.3048 -9.3048 -9.2356 -9.2356 -9.2249 -9.2249 -9.1883 -9.1883 -9.1477 -9.1477 -3.0800 -3.0800 1.3403 1.3403 3.5953 3.5953 4.0740 4.0740 4.7502 4.7502 6.0654 6.0654 7.3891 7.3891 7.5264 7.5264 7.6771 7.6771 k = 0.0000 0.0000 0.1683 ( 3839 PWs) bands (ev): -41.2940 -41.2940 -41.2745 -41.2745 -41.0755 -41.0755 -41.0695 -41.0695 -9.7714 -9.7714 -9.7304 -9.7304 -9.7130 -9.7130 -9.7038 -9.7038 -9.3153 -9.3153 -9.3045 -9.3045 -9.2360 -9.2360 -9.2241 -9.2241 -9.1875 -9.1875 -9.1491 -9.1491 -3.1088 -3.1088 1.4396 1.4396 3.5891 3.5891 4.0581 4.0581 4.7174 4.7174 6.0368 6.0368 7.3973 7.3973 7.4620 7.4620 7.6627 7.6627 k = 0.0000 0.0000 0.1515 ( 3841 PWs) bands (ev): -41.2942 -41.2942 -41.2743 -41.2743 -41.0755 -41.0755 -41.0694 -41.0694 -9.7713 -9.7713 -9.7295 -9.7295 -9.7131 -9.7131 -9.7045 -9.7045 -9.3161 -9.3161 -9.3041 -9.3041 -9.2366 -9.2366 -9.2231 -9.2231 -9.1866 -9.1866 -9.1507 -9.1507 -3.1348 -3.1348 1.5327 1.5327 3.5866 3.5866 4.0436 4.0436 4.6877 4.6877 6.0109 6.0109 7.3448 7.3448 7.4040 7.4040 7.6992 7.6992 k = 0.0000 0.0000 0.1346 ( 3849 PWs) bands (ev): -41.2944 -41.2944 -41.2741 -41.2741 -41.0756 -41.0756 -41.0693 -41.0693 -9.7712 -9.7712 -9.7286 -9.7286 -9.7134 -9.7134 -9.7052 -9.7052 -9.3169 -9.3169 -9.3039 -9.3039 -9.2373 -9.2373 -9.2221 -9.2221 -9.1857 -9.1857 -9.1524 -9.1524 -3.1581 -3.1581 1.6188 1.6188 3.5876 3.5876 4.0306 4.0306 4.6611 4.6611 5.9876 5.9876 7.2235 7.2235 7.4085 7.4085 7.7414 7.7414 k = 0.0000 0.0000 0.1178 ( 3847 PWs) bands (ev): -41.2946 -41.2946 -41.2740 -41.2740 -41.0756 -41.0756 -41.0693 -41.0693 -9.7711 -9.7711 -9.7277 -9.7277 -9.7136 -9.7136 -9.7059 -9.7059 -9.3175 -9.3175 -9.3036 -9.3036 -9.2379 -9.2379 -9.2211 -9.2211 -9.1846 -9.1846 -9.1541 -9.1541 -3.1786 -3.1786 1.6967 1.6967 3.5918 3.5918 4.0191 4.0191 4.6376 4.6376 5.9670 5.9670 7.1070 7.1070 7.4120 7.4120 7.7816 7.7816 k = 0.0000 0.0000 0.1010 ( 3847 PWs) bands (ev): -41.2947 -41.2947 -41.2739 -41.2739 -41.0756 -41.0756 -41.0692 -41.0692 -9.7709 -9.7709 -9.7268 -9.7268 -9.7138 -9.7138 -9.7065 -9.7065 -9.3181 -9.3181 -9.3033 -9.3033 -9.2386 -9.2386 -9.2202 -9.2202 -9.1834 -9.1834 -9.1558 -9.1558 -3.1964 -3.1964 1.7659 1.7659 3.5987 3.5987 4.0091 4.0091 4.6172 4.6172 5.9491 5.9491 6.9992 6.9992 7.4146 7.4146 7.8179 7.8179 k = 0.0000 0.0000 0.0842 ( 3843 PWs) bands (ev): -41.2948 -41.2948 -41.2738 -41.2738 -41.0757 -41.0757 -41.0692 -41.0692 -9.7708 -9.7708 -9.7259 -9.7259 -9.7141 -9.7141 -9.7071 -9.7071 -9.3186 -9.3186 -9.3031 -9.3031 -9.2391 -9.2391 -9.2193 -9.2193 -9.1821 -9.1821 -9.1575 -9.1575 -3.2115 -3.2115 1.8255 1.8255 3.6073 3.6073 4.0007 4.0007 4.5999 4.5999 5.9339 5.9339 6.9028 6.9028 7.4165 7.4165 7.8494 7.8494 k = 0.0000 0.0000 0.0673 ( 3839 PWs) bands (ev): -41.2949 -41.2949 -41.2737 -41.2737 -41.0757 -41.0757 -41.0691 -41.0691 -9.7706 -9.7706 -9.7251 -9.7251 -9.7144 -9.7144 -9.7076 -9.7076 -9.3190 -9.3190 -9.3028 -9.3028 -9.2396 -9.2396 -9.2186 -9.2186 -9.1808 -9.1808 -9.1592 -9.1592 -3.2238 -3.2238 1.8749 1.8749 3.6167 3.6167 3.9938 3.9938 4.5858 4.5858 5.9215 5.9215 6.8202 6.8202 7.4179 7.4179 7.8758 7.8758 k = 0.0000 0.0000 0.0505 ( 3839 PWs) bands (ev): -41.2950 -41.2950 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7705 -9.7705 -9.7243 -9.7243 -9.7147 -9.7147 -9.7080 -9.7080 -9.3193 -9.3193 -9.3027 -9.3027 -9.2400 -9.2400 -9.2180 -9.2180 -9.1796 -9.1796 -9.1607 -9.1607 -3.2334 -3.2334 1.9136 1.9136 3.6257 3.6257 3.9885 3.9885 4.5747 4.5747 5.9118 5.9118 6.7534 6.7534 7.4189 7.4189 7.8965 7.8965 k = 0.0000 0.0000 0.0337 ( 3843 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7705 -9.7705 -9.7237 -9.7237 -9.7150 -9.7150 -9.7084 -9.7084 -9.3196 -9.3196 -9.3026 -9.3026 -9.2403 -9.2403 -9.2176 -9.2176 -9.1786 -9.1786 -9.1619 -9.1619 -3.2403 -3.2403 1.9415 1.9415 3.6332 3.6332 3.9847 3.9847 4.5669 4.5669 5.9048 5.9048 6.7042 6.7042 7.4195 7.4195 7.9115 7.9115 k = 0.0000 0.0000 0.0168 ( 3843 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7233 -9.7233 -9.7153 -9.7153 -9.7086 -9.7086 -9.3197 -9.3197 -9.3025 -9.3025 -9.2405 -9.2405 -9.2174 -9.2174 -9.1779 -9.1779 -9.1628 -9.1628 -3.2444 -3.2444 1.9583 1.9583 3.6381 3.6381 3.9825 3.9825 4.5621 4.5621 5.9007 5.9007 6.6741 6.6741 7.4198 7.4198 7.9206 7.9206 k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7232 -9.7232 -9.7154 -9.7154 -9.7086 -9.7086 -9.3197 -9.3197 -9.3025 -9.3025 -9.2405 -9.2405 -9.2173 -9.2173 -9.1776 -9.1776 -9.1630 -9.1630 -3.2458 -3.2458 1.9639 1.9639 3.6399 3.6399 3.9817 3.9817 4.5606 4.5606 5.8993 5.8993 6.6640 6.6640 7.4199 7.4199 7.9236 7.9236 k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7232 -9.7232 -9.7154 -9.7154 -9.7086 -9.7086 -9.3197 -9.3197 -9.3025 -9.3025 -9.2405 -9.2405 -9.2173 -9.2173 -9.1776 -9.1776 -9.1630 -9.1630 -3.2458 -3.2458 1.9639 1.9639 3.6399 3.6399 3.9817 3.9817 4.5606 4.5606 5.8993 5.8993 6.6640 6.6640 7.4199 7.4199 7.9236 7.9236 k =-0.0152 0.0072 0.0000 ( 3847 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7232 -9.7232 -9.7154 -9.7154 -9.7086 -9.7086 -9.3198 -9.3198 -9.3025 -9.3025 -9.2405 -9.2405 -9.2173 -9.2173 -9.1777 -9.1777 -9.1631 -9.1631 -3.2450 -3.2450 1.9549 1.9549 3.6413 3.6413 3.9918 3.9918 4.5543 4.5543 5.9085 5.9085 6.6648 6.6648 7.4183 7.4183 7.9266 7.9266 k =-0.0303 0.0145 0.0000 ( 3849 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7232 -9.7232 -9.7154 -9.7154 -9.7086 -9.7086 -9.3198 -9.3198 -9.3025 -9.3025 -9.2405 -9.2405 -9.2173 -9.2173 -9.1776 -9.1776 -9.1631 -9.1631 -3.2429 -3.2429 1.9285 1.9285 3.6457 3.6457 4.0214 4.0214 4.5359 4.5359 5.9356 5.9356 6.6673 6.6673 7.4135 7.4135 7.9354 7.9354 k =-0.0455 0.0217 0.0000 ( 3845 PWs) bands (ev): -41.2951 -41.2951 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7232 -9.7232 -9.7153 -9.7153 -9.7086 -9.7086 -9.3197 -9.3197 -9.3025 -9.3025 -9.2405 -9.2405 -9.2173 -9.2173 -9.1776 -9.1776 -9.1631 -9.1631 -3.2393 -3.2393 1.8863 1.8863 3.6529 3.6529 4.0690 4.0690 4.5068 4.5068 5.9791 5.9791 6.6715 6.6715 7.4056 7.4056 7.9499 7.9499 k =-0.0606 0.0290 0.0000 ( 3845 PWs) bands (ev): -41.2950 -41.2950 -41.2736 -41.2736 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7231 -9.7231 -9.7153 -9.7153 -9.7087 -9.7087 -9.3197 -9.3197 -9.3025 -9.3025 -9.2405 -9.2405 -9.2173 -9.2173 -9.1776 -9.1776 -9.1632 -9.1632 -3.2343 -3.2343 1.8305 1.8305 3.6629 3.6629 4.1323 4.1323 4.4690 4.4690 6.0372 6.0372 6.6775 6.6775 7.3948 7.3948 7.9700 7.9700 k =-0.0758 0.0362 0.0000 ( 3847 PWs) bands (ev): -41.2950 -41.2950 -41.2737 -41.2737 -41.0757 -41.0757 -41.0691 -41.0691 -9.7704 -9.7704 -9.7231 -9.7231 -9.7153 -9.7153 -9.7087 -9.7087 -9.3196 -9.3196 -9.3025 -9.3025 -9.2405 -9.2405 -9.2173 -9.2173 -9.1776 -9.1776 -9.1633 -9.1633 -3.2279 -3.2279 1.7636 1.7636 3.6756 3.6756 4.2087 4.2087 4.4244 4.4244 6.1078 6.1078 6.6853 6.6853 7.3813 7.3813 7.9957 7.9957 k =-0.0909 0.0435 0.0000 ( 3849 PWs) bands (ev): -41.2949 -41.2949 -41.2737 -41.2737 -41.0757 -41.0757 -41.0691 -41.0691 -9.7703 -9.7703 -9.7231 -9.7231 -9.7153 -9.7153 -9.7087 -9.7087 -9.3196 -9.3196 -9.3026 -9.3026 -9.2405 -9.2405 -9.2172 -9.2172 -9.1776 -9.1776 -9.1633 -9.1633 -3.2202 -3.2202 1.6879 1.6879 3.6909 3.6909 4.2956 4.2956 4.3749 4.3749 6.1891 6.1891 6.6950 6.6950 7.3654 7.3654 8.0267 8.0267 k =-0.1061 0.0507 0.0000 ( 3855 PWs) bands (ev): -41.2949 -41.2949 -41.2738 -41.2738 -41.0757 -41.0757 -41.0691 -41.0691 -9.7703 -9.7703 -9.7231 -9.7231 -9.7153 -9.7153 -9.7087 -9.7087 -9.3196 -9.3196 -9.3026 -9.3026 -9.2405 -9.2405 -9.2172 -9.2172 -9.1776 -9.1776 -9.1634 -9.1634 -3.2111 -3.2111 1.6057 1.6057 3.7089 3.7089 4.3221 4.3221 4.3908 4.3908 6.2794 6.2794 6.7069 6.7069 7.3472 7.3472 8.0631 8.0631 k =-0.1212 0.0580 0.0000 ( 3855 PWs) bands (ev): -41.2948 -41.2948 -41.2738 -41.2738 -41.0757 -41.0757 -41.0691 -41.0691 -9.7703 -9.7703 -9.7230 -9.7230 -9.7153 -9.7153 -9.7088 -9.7088 -9.3194 -9.3194 -9.3026 -9.3026 -9.2405 -9.2405 -9.2172 -9.2172 -9.1775 -9.1775 -9.1636 -9.1636 -3.2008 -3.2008 1.5187 1.5187 3.7295 3.7295 4.2673 4.2673 4.4920 4.4920 6.3773 6.3773 6.7209 6.7209 7.3269 7.3269 8.1047 8.1047 k =-0.1364 0.0652 0.0000 ( 3851 PWs) bands (ev): -41.2947 -41.2947 -41.2739 -41.2739 -41.0757 -41.0757 -41.0691 -41.0691 -9.7702 -9.7702 -9.7229 -9.7229 -9.7153 -9.7153 -9.7088 -9.7088 -9.3193 -9.3193 -9.3027 -9.3027 -9.2404 -9.2404 -9.2172 -9.2172 -9.1774 -9.1774 -9.1637 -9.1637 -3.1892 -3.1892 1.4285 1.4285 3.7527 3.7527 4.2116 4.2116 4.5974 4.5974 6.4818 6.4818 6.7374 6.7374 7.3047 7.3047 8.1516 8.1516 k =-0.1515 0.0724 0.0000 ( 3842 PWs) bands (ev): -41.2946 -41.2946 -41.2740 -41.2740 -41.0757 -41.0757 -41.0691 -41.0691 -9.7701 -9.7701 -9.7228 -9.7228 -9.7153 -9.7153 -9.7089 -9.7089 -9.3191 -9.3191 -9.3027 -9.3027 -9.2403 -9.2403 -9.2172 -9.2172 -9.1773 -9.1773 -9.1638 -9.1638 -3.1764 -3.1764 1.3363 1.3363 3.7784 3.7784 4.1556 4.1556 4.7055 4.7055 6.5919 6.5919 6.7567 6.7567 7.2808 7.2808 8.2038 8.2038 k =-0.1667 0.0797 0.0000 ( 3840 PWs) bands (ev): -41.2945 -41.2945 -41.2741 -41.2741 -41.0757 -41.0757 -41.0691 -41.0691 -9.7700 -9.7700 -9.7227 -9.7227 -9.7152 -9.7152 -9.7089 -9.7089 -9.3190 -9.3190 -9.3027 -9.3027 -9.2402 -9.2402 -9.2172 -9.2172 -9.1772 -9.1772 -9.1640 -9.1640 -3.1625 -3.1625 1.2431 1.2431 3.8067 3.8067 4.1002 4.1002 4.8148 4.8148 6.7055 6.7055 6.7802 6.7802 7.2553 7.2553 8.2613 8.2613 k =-0.1818 0.0869 0.0000 ( 3828 PWs) bands (ev): -41.2944 -41.2944 -41.2742 -41.2742 -41.0758 -41.0758 -41.0691 -41.0691 -9.7698 -9.7698 -9.7225 -9.7225 -9.7152 -9.7152 -9.7089 -9.7089 -9.3188 -9.3188 -9.3027 -9.3027 -9.2401 -9.2401 -9.2171 -9.2171 -9.1770 -9.1770 -9.1641 -9.1641 -3.1475 -3.1475 1.1497 1.1497 3.8373 3.8373 4.0457 4.0457 4.9241 4.9241 6.7932 6.7932 6.8368 6.8368 7.2284 7.2284 8.3239 8.3239 k =-0.1970 0.0942 0.0000 ( 3826 PWs) bands (ev): -41.2943 -41.2943 -41.2743 -41.2743 -41.0758 -41.0758 -41.0691 -41.0691 -9.7697 -9.7697 -9.7224 -9.7224 -9.7152 -9.7152 -9.7090 -9.7090 -9.3186 -9.3186 -9.3027 -9.3027 -9.2401 -9.2401 -9.2171 -9.2171 -9.1769 -9.1769 -9.1644 -9.1644 -3.1316 -3.1316 1.0569 1.0569 3.8701 3.8701 3.9927 3.9927 5.0322 5.0322 6.8253 6.8253 6.9558 6.9558 7.2005 7.2005 8.2723 8.2723 k =-0.2121 0.1014 0.0000 ( 3822 PWs) bands (ev): -41.2942 -41.2942 -41.2744 -41.2744 -41.0758 -41.0758 -41.0691 -41.0691 -9.7696 -9.7696 -9.7222 -9.7222 -9.7152 -9.7152 -9.7091 -9.7091 -9.3184 -9.3184 -9.3028 -9.3028 -9.2400 -9.2400 -9.2171 -9.2171 -9.1767 -9.1767 -9.1646 -9.1646 -3.1149 -3.1149 0.9653 0.9653 3.9038 3.9038 3.9427 3.9427 5.1383 5.1383 6.8560 6.8560 7.0812 7.0812 7.1730 7.1730 8.1282 8.1282 k =-0.2273 0.1087 0.0000 ( 3822 PWs) bands (ev): -41.2941 -41.2941 -41.2745 -41.2745 -41.0758 -41.0758 -41.0691 -41.0691 -9.7695 -9.7695 -9.7221 -9.7221 -9.7152 -9.7152 -9.7091 -9.7091 -9.3182 -9.3182 -9.3028 -9.3028 -9.2399 -9.2399 -9.2171 -9.2171 -9.1766 -9.1766 -9.1648 -9.1648 -3.0973 -3.0973 0.8753 0.8753 3.8890 3.8890 3.9453 3.9453 5.2414 5.2414 6.8890 6.8890 7.1348 7.1348 7.2203 7.2203 7.9871 7.9871 k =-0.2424 0.1159 0.0000 ( 3818 PWs) bands (ev): -41.2940 -41.2940 -41.2746 -41.2746 -41.0758 -41.0758 -41.0691 -41.0691 -9.7693 -9.7693 -9.7220 -9.7220 -9.7152 -9.7152 -9.7092 -9.7092 -9.3181 -9.3181 -9.3028 -9.3028 -9.2398 -9.2398 -9.2171 -9.2171 -9.1765 -9.1765 -9.1650 -9.1650 -3.0792 -3.0792 0.7874 0.7874 3.8422 3.8422 3.9840 3.9840 5.3407 5.3407 6.9245 6.9245 7.1058 7.1058 7.3526 7.3526 7.8494 7.8494 k =-0.2576 0.1231 0.0000 ( 3824 PWs) bands (ev): -41.2939 -41.2939 -41.2747 -41.2747 -41.0758 -41.0758 -41.0691 -41.0691 -9.7693 -9.7693 -9.7219 -9.7219 -9.7152 -9.7152 -9.7093 -9.7093 -9.3179 -9.3179 -9.3029 -9.3029 -9.2398 -9.2398 -9.2171 -9.2171 -9.1764 -9.1764 -9.1653 -9.1653 -3.0605 -3.0605 0.7021 0.7021 3.7969 3.7969 4.0253 4.0253 5.4357 5.4357 6.9620 6.9620 7.0745 7.0745 7.4891 7.4891 7.7161 7.7161 k =-0.2727 0.1304 0.0000 ( 3820 PWs) bands (ev): -41.2938 -41.2938 -41.2748 -41.2748 -41.0758 -41.0758 -41.0691 -41.0691 -9.7692 -9.7692 -9.7218 -9.7218 -9.7152 -9.7152 -9.7093 -9.7093 -9.3178 -9.3178 -9.3029 -9.3029 -9.2397 -9.2397 -9.2171 -9.2171 -9.1763 -9.1763 -9.1655 -9.1655 -3.0415 -3.0415 0.6197 0.6197 3.7538 3.7538 4.0685 4.0685 5.5260 5.5260 6.9979 6.9979 7.0459 7.0459 7.5744 7.5744 7.6408 7.6408 k =-0.2879 0.1376 0.0000 ( 3828 PWs) bands (ev): -41.2937 -41.2937 -41.2749 -41.2749 -41.0758 -41.0758 -41.0691 -41.0691 -9.7691 -9.7691 -9.7217 -9.7217 -9.7152 -9.7152 -9.7094 -9.7094 -9.3176 -9.3176 -9.3030 -9.3030 -9.2397 -9.2397 -9.2172 -9.2172 -9.1762 -9.1762 -9.1657 -9.1657 -3.0222 -3.0222 0.5405 0.5405 3.7132 3.7132 4.1133 4.1133 5.6112 5.6112 6.9973 6.9973 7.0550 7.0550 7.4550 7.4550 7.7769 7.7769 k =-0.3030 0.1449 0.0000 ( 3830 PWs) bands (ev): -41.2935 -41.2935 -41.2751 -41.2751 -41.0758 -41.0758 -41.0691 -41.0691 -9.7689 -9.7689 -9.7215 -9.7215 -9.7153 -9.7153 -9.7095 -9.7095 -9.3174 -9.3174 -9.3031 -9.3031 -9.2396 -9.2396 -9.2172 -9.2172 -9.1761 -9.1761 -9.1660 -9.1660 -3.0029 -3.0029 0.4649 0.4649 3.6750 3.6750 4.1594 4.1594 5.6912 5.6912 6.9660 6.9660 7.0953 7.0953 7.3338 7.3338 7.9214 7.9214 k =-0.3182 0.1521 0.0000 ( 3830 PWs) bands (ev): -41.2934 -41.2934 -41.2752 -41.2752 -41.0758 -41.0758 -41.0691 -41.0691 -9.7689 -9.7689 -9.7214 -9.7214 -9.7152 -9.7152 -9.7096 -9.7096 -9.3173 -9.3173 -9.3031 -9.3031 -9.2396 -9.2396 -9.2172 -9.2172 -9.1760 -9.1760 -9.1662 -9.1662 -2.9838 -2.9838 0.3932 0.3932 3.6394 3.6394 4.2065 4.2065 5.7660 5.7660 6.9313 6.9313 7.1361 7.1361 7.2200 7.2200 8.0680 8.0680 k =-0.3333 0.1594 0.0000 ( 3830 PWs) bands (ev): -41.2933 -41.2933 -41.2753 -41.2753 -41.0758 -41.0758 -41.0691 -41.0691 -9.7688 -9.7688 -9.7213 -9.7213 -9.7153 -9.7153 -9.7096 -9.7096 -9.3171 -9.3171 -9.3032 -9.3032 -9.2395 -9.2395 -9.2172 -9.2172 -9.1759 -9.1759 -9.1664 -9.1664 -2.9650 -2.9650 0.3257 0.3257 3.6065 3.6065 4.2543 4.2543 5.8357 5.8357 6.8957 6.8957 7.0964 7.0964 7.1925 7.1925 8.2159 8.2159 k =-0.3485 0.1666 0.0000 ( 3832 PWs) bands (ev): -41.2932 -41.2932 -41.2754 -41.2754 -41.0758 -41.0758 -41.0691 -41.0691 -9.7687 -9.7687 -9.7212 -9.7212 -9.7153 -9.7153 -9.7097 -9.7097 -9.3170 -9.3170 -9.3032 -9.3032 -9.2395 -9.2395 -9.2172 -9.2172 -9.1758 -9.1758 -9.1666 -9.1666 -2.9468 -2.9468 0.2628 0.2628 3.5764 3.5764 4.3022 4.3022 5.9007 5.9007 6.8594 6.8594 6.9923 6.9923 7.2347 7.2347 8.3643 8.3643 k =-0.3636 0.1739 0.0000 ( 3832 PWs) bands (ev): -41.2931 -41.2931 -41.2755 -41.2755 -41.0758 -41.0758 -41.0691 -41.0691 -9.7686 -9.7686 -9.7211 -9.7211 -9.7154 -9.7154 -9.7097 -9.7097 -9.3169 -9.3169 -9.3033 -9.3033 -9.2394 -9.2394 -9.2172 -9.2172 -9.1757 -9.1757 -9.1668 -9.1668 -2.9294 -2.9294 0.2047 0.2047 3.5489 3.5489 4.3498 4.3498 5.9611 5.9611 6.8220 6.8220 6.8927 6.8927 7.2781 7.2781 8.5122 8.5122 k =-0.3788 0.1811 0.0000 ( 3832 PWs) bands (ev): -41.2930 -41.2930 -41.2756 -41.2756 -41.0758 -41.0758 -41.0691 -41.0691 -9.7685 -9.7685 -9.7210 -9.7210 -9.7154 -9.7154 -9.7098 -9.7098 -9.3167 -9.3167 -9.3033 -9.3033 -9.2393 -9.2393 -9.2172 -9.2172 -9.1757 -9.1757 -9.1670 -9.1670 -2.9129 -2.9129 0.1517 0.1517 3.5243 3.5243 4.3965 4.3965 6.0172 6.0172 6.7776 6.7776 6.8065 6.8065 7.3198 7.3198 8.6587 8.6587 k =-0.3939 0.1883 0.0000 ( 3832 PWs) bands (ev): -41.2929 -41.2929 -41.2756 -41.2756 -41.0758 -41.0758 -41.0691 -41.0691 -9.7684 -9.7684 -9.7209 -9.7209 -9.7154 -9.7154 -9.7098 -9.7098 -9.3166 -9.3166 -9.3034 -9.3034 -9.2393 -9.2393 -9.2172 -9.2172 -9.1756 -9.1756 -9.1671 -9.1671 -2.8977 -2.8977 0.1041 0.1041 3.5025 3.5025 4.4415 4.4415 6.0694 6.0694 6.7034 6.7034 6.7576 6.7576 7.3589 7.3589 8.8019 8.8019 k =-0.4091 0.1956 0.0000 ( 3840 PWs) bands (ev): -41.2929 -41.2929 -41.2757 -41.2757 -41.0758 -41.0758 -41.0691 -41.0691 -9.7684 -9.7684 -9.7208 -9.7208 -9.7154 -9.7154 -9.7099 -9.7099 -9.3166 -9.3166 -9.3034 -9.3034 -9.2393 -9.2393 -9.2172 -9.2172 -9.1756 -9.1756 -9.1673 -9.1673 -2.8840 -2.8840 0.0622 0.0622 3.4836 3.4836 4.4838 4.4838 6.1177 6.1177 6.6259 6.6259 6.7208 6.7208 7.3944 7.3944 8.9398 8.9398 k =-0.4242 0.2028 0.0000 ( 3848 PWs) bands (ev): -41.2928 -41.2928 -41.2758 -41.2758 -41.0758 -41.0758 -41.0691 -41.0691 -9.7684 -9.7684 -9.7208 -9.7208 -9.7155 -9.7155 -9.7100 -9.7100 -9.3165 -9.3165 -9.3035 -9.3035 -9.2393 -9.2393 -9.2172 -9.2172 -9.1755 -9.1755 -9.1675 -9.1675 -2.8720 -2.8720 0.0263 0.0263 3.4676 3.4676 4.5226 4.5226 6.1620 6.1620 6.5565 6.5565 6.6865 6.6865 7.4258 7.4258 9.0693 9.0693 k =-0.4394 0.2101 0.0000 ( 3852 PWs) bands (ev): -41.2927 -41.2927 -41.2758 -41.2758 -41.0758 -41.0758 -41.0691 -41.0691 -9.7684 -9.7684 -9.7207 -9.7207 -9.7155 -9.7155 -9.7100 -9.7100 -9.3165 -9.3165 -9.3035 -9.3035 -9.2393 -9.2393 -9.2173 -9.2173 -9.1755 -9.1755 -9.1676 -9.1676 -2.8618 -2.8618 -0.0035 -0.0035 3.4544 3.4544 4.5566 4.5566 6.2020 6.2020 6.4972 6.4972 6.6543 6.6543 7.4523 7.4523 9.1864 9.1864 k =-0.4545 0.2173 0.0000 ( 3842 PWs) bands (ev): -41.2927 -41.2927 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7207 -9.7207 -9.7155 -9.7155 -9.7100 -9.7100 -9.3164 -9.3164 -9.3035 -9.3035 -9.2392 -9.2392 -9.2172 -9.2172 -9.1755 -9.1755 -9.1676 -9.1676 -2.8537 -2.8537 -0.0268 -0.0268 3.4442 3.4442 4.5847 4.5847 6.2367 6.2367 6.4495 6.4495 6.6252 6.6252 7.4735 7.4735 9.2860 9.2860 k =-0.4697 0.2246 0.0000 ( 3854 PWs) bands (ev): -41.2927 -41.2927 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7206 -9.7206 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3036 -9.3036 -9.2392 -9.2392 -9.2173 -9.2173 -9.1754 -9.1754 -9.1678 -9.1678 -2.8478 -2.8478 -0.0436 -0.0436 3.4368 3.4368 4.6058 4.6058 6.2646 6.2646 6.4145 6.4145 6.6011 6.6011 7.4890 7.4890 9.3625 9.3625 k =-0.4848 0.2318 0.0000 ( 3854 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7206 -9.7206 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3036 -9.3036 -9.2392 -9.2392 -9.2173 -9.2173 -9.1754 -9.1754 -9.1678 -9.1678 -2.8442 -2.8442 -0.0538 -0.0538 3.4324 3.4324 4.6189 4.6189 6.2830 6.2830 6.3934 6.3934 6.5846 6.5846 7.4984 7.4984 9.4108 9.4108 k =-0.5000 0.2390 0.0000 ( 3858 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7206 -9.7206 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3036 -9.3036 -9.2392 -9.2392 -9.2173 -9.2173 -9.1755 -9.1755 -9.1678 -9.1678 -2.8430 -2.8430 -0.0572 -0.0572 3.4310 3.4310 4.6233 4.6233 6.2895 6.2895 6.3863 6.3863 6.5786 6.5786 7.5015 7.5015 9.4273 9.4273 k =-0.5000 0.2390 0.0000 ( 3858 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7206 -9.7206 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3036 -9.3036 -9.2392 -9.2392 -9.2173 -9.2173 -9.1755 -9.1755 -9.1678 -9.1678 -2.8430 -2.8430 -0.0572 -0.0572 3.4310 3.4310 4.6233 4.6233 6.2895 6.2895 6.3863 6.3863 6.5786 6.5786 7.5015 7.5015 9.4273 9.4273 k =-0.4929 0.2540-0.0000 ( 3858 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7206 -9.7206 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3036 -9.3036 -9.2392 -9.2392 -9.2173 -9.2173 -9.1755 -9.1755 -9.1678 -9.1678 -2.8426 -2.8426 -0.0561 -0.0561 3.4245 3.4245 4.6243 4.6243 6.2898 6.2898 6.3877 6.3877 6.5851 6.5851 7.5019 7.5019 9.3960 9.3960 k =-0.4857 0.2689-0.0000 ( 3852 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7206 -9.7206 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3035 -9.3035 -9.2392 -9.2392 -9.2173 -9.2173 -9.1754 -9.1754 -9.1677 -9.1677 -2.8413 -2.8413 -0.0530 -0.0530 3.4052 3.4052 4.6271 4.6271 6.2906 6.2906 6.3919 6.3919 6.6038 6.6038 7.5033 7.5033 9.3122 9.3122 k =-0.4786 0.2839-0.0000 ( 3848 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7205 -9.7205 -9.7155 -9.7155 -9.7101 -9.7101 -9.3163 -9.3163 -9.3036 -9.3036 -9.2392 -9.2392 -9.2172 -9.2172 -9.1754 -9.1754 -9.1677 -9.1677 -2.8391 -2.8391 -0.0479 -0.0479 3.3739 3.3739 4.6317 4.6317 6.2919 6.2919 6.3990 6.3990 6.6332 6.6332 7.5069 7.5069 9.1948 9.1948 k =-0.4714 0.2988-0.0000 ( 3848 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7205 -9.7205 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3036 -9.3036 -9.2391 -9.2391 -9.2172 -9.2172 -9.1754 -9.1754 -9.1677 -9.1677 -2.8361 -2.8361 -0.0406 -0.0406 3.3316 3.3316 4.6381 4.6381 6.2937 6.2937 6.4088 6.4088 6.6701 6.6701 7.5146 7.5146 9.0584 9.0584 k =-0.4643 0.3137-0.0000 ( 3848 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0692 -41.0692 -9.7683 -9.7683 -9.7204 -9.7204 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3036 -9.3036 -9.2391 -9.2391 -9.2171 -9.2171 -9.1754 -9.1754 -9.1677 -9.1677 -2.8323 -2.8323 -0.0313 -0.0313 3.2796 3.2796 4.6464 4.6464 6.2961 6.2961 6.4215 6.4215 6.7106 6.7106 7.5293 7.5293 8.9115 8.9115 k =-0.4571 0.3287-0.0000 ( 3848 PWs) bands (ev): -41.2926 -41.2926 -41.2758 -41.2758 -41.0757 -41.0757 -41.0692 -41.0692 -9.7683 -9.7683 -9.7204 -9.7204 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3037 -9.3037 -9.2390 -9.2390 -9.2170 -9.2170 -9.1755 -9.1755 -9.1677 -9.1677 -2.8277 -2.8277 -0.0200 -0.0200 3.2194 3.2194 4.6563 4.6563 6.2989 6.2989 6.4371 6.4371 6.7497 6.7497 7.5548 7.5548 8.7589 8.7589 k =-0.4500 0.3436-0.0000 ( 3840 PWs) bands (ev): -41.2926 -41.2926 -41.2758 -41.2758 -41.0757 -41.0757 -41.0693 -41.0693 -9.7682 -9.7682 -9.7202 -9.7202 -9.7155 -9.7155 -9.7101 -9.7101 -9.3162 -9.3162 -9.3037 -9.3037 -9.2390 -9.2390 -9.2169 -9.2169 -9.1754 -9.1754 -9.1676 -9.1676 -2.8224 -2.8224 -0.0066 -0.0066 3.1525 3.1525 4.6680 4.6680 6.3022 6.3022 6.4554 6.4554 6.7820 6.7820 7.5952 7.5952 8.6035 8.6035 k =-0.4429 0.3586-0.0000 ( 3836 PWs) bands (ev): -41.2926 -41.2926 -41.2758 -41.2758 -41.0757 -41.0757 -41.0693 -41.0693 -9.7682 -9.7682 -9.7201 -9.7201 -9.7155 -9.7155 -9.7101 -9.7101 -9.3162 -9.3162 -9.3037 -9.3037 -9.2389 -9.2389 -9.2168 -9.2168 -9.1754 -9.1754 -9.1675 -9.1675 -2.8164 -2.8164 0.0089 0.0089 3.0802 3.0802 4.6812 4.6812 6.3060 6.3060 6.4767 6.4767 6.8030 6.8030 7.6538 7.6538 8.4470 8.4470 k =-0.4357 0.3735-0.0000 ( 3848 PWs) bands (ev): -41.2926 -41.2926 -41.2757 -41.2757 -41.0756 -41.0756 -41.0694 -41.0694 -9.7684 -9.7684 -9.7201 -9.7201 -9.7155 -9.7155 -9.7102 -9.7102 -9.3163 -9.3163 -9.3038 -9.3038 -9.2389 -9.2389 -9.2167 -9.2167 -9.1756 -9.1756 -9.1675 -9.1675 -2.8097 -2.8097 0.0263 0.0263 3.0038 3.0038 4.6959 4.6959 6.3102 6.3102 6.5007 6.5007 6.8103 6.8103 7.7319 7.7319 8.2905 8.2905 k =-0.4286 0.3884-0.0000 ( 3844 PWs) bands (ev): -41.2926 -41.2926 -41.2757 -41.2757 -41.0756 -41.0756 -41.0695 -41.0695 -9.7684 -9.7684 -9.7200 -9.7200 -9.7155 -9.7155 -9.7102 -9.7102 -9.3164 -9.3164 -9.3038 -9.3038 -9.2388 -9.2388 -9.2165 -9.2165 -9.1756 -9.1756 -9.1674 -9.1674 -2.8025 -2.8025 0.0458 0.0458 2.9245 2.9245 4.7120 4.7120 6.3148 6.3148 6.5276 6.5276 6.8037 6.8037 7.8287 7.8287 8.1348 8.1348 k =-0.4214 0.4034-0.0000 ( 3838 PWs) bands (ev): -41.2926 -41.2926 -41.2756 -41.2756 -41.0755 -41.0755 -41.0696 -41.0696 -9.7684 -9.7684 -9.7199 -9.7199 -9.7154 -9.7154 -9.7101 -9.7101 -9.3164 -9.3164 -9.3038 -9.3038 -9.2387 -9.2387 -9.2163 -9.2163 -9.1756 -9.1756 -9.1672 -9.1672 -2.7948 -2.7948 0.0673 0.0673 2.8435 2.8435 4.7293 4.7293 6.3198 6.3198 6.5572 6.5572 6.7847 6.7847 7.9400 7.9400 7.9825 7.9825 k =-0.4143 0.4183-0.0000 ( 3826 PWs) bands (ev): -41.2926 -41.2926 -41.2756 -41.2756 -41.0755 -41.0755 -41.0697 -41.0697 -9.7683 -9.7683 -9.7198 -9.7198 -9.7153 -9.7153 -9.7101 -9.7101 -9.3163 -9.3163 -9.3038 -9.3038 -9.2386 -9.2386 -9.2161 -9.2161 -9.1756 -9.1756 -9.1672 -9.1672 -2.7866 -2.7866 0.0908 0.0908 2.7615 2.7615 4.7478 4.7478 6.3251 6.3251 6.5897 6.5897 6.7554 6.7554 7.8269 7.8269 8.0701 8.0701 k =-0.4071 0.4333-0.0000 ( 3836 PWs) bands (ev): -41.2927 -41.2927 -41.2755 -41.2755 -41.0754 -41.0754 -41.0698 -41.0698 -9.7684 -9.7684 -9.7198 -9.7198 -9.7153 -9.7153 -9.7102 -9.7102 -9.3164 -9.3164 -9.3039 -9.3039 -9.2387 -9.2387 -9.2159 -9.2159 -9.1757 -9.1757 -9.1671 -9.1671 -2.7781 -2.7781 0.1163 0.1163 2.6794 2.6794 4.7673 4.7673 6.3307 6.3307 6.6249 6.6249 6.7179 6.7179 7.6764 7.6764 8.2081 8.2081 k =-0.4000 0.4482-0.0000 ( 3828 PWs) bands (ev): -41.2927 -41.2927 -41.2755 -41.2755 -41.0754 -41.0754 -41.0699 -41.0699 -9.7684 -9.7684 -9.7196 -9.7196 -9.7152 -9.7152 -9.7102 -9.7102 -9.3164 -9.3164 -9.3039 -9.3039 -9.2386 -9.2386 -9.2157 -9.2157 -9.1758 -9.1758 -9.1670 -9.1670 -2.7694 -2.7694 0.1438 0.1438 2.5979 2.5979 4.7875 4.7875 6.3365 6.3365 6.6606 6.6606 6.6759 6.6759 7.5280 7.5280 8.3550 8.3550 k =-0.3929 0.4631-0.0000 ( 3820 PWs) bands (ev): -41.2927 -41.2927 -41.2754 -41.2754 -41.0753 -41.0753 -41.0700 -41.0700 -9.7684 -9.7684 -9.7195 -9.7195 -9.7151 -9.7151 -9.7102 -9.7102 -9.3164 -9.3164 -9.3039 -9.3039 -9.2384 -9.2384 -9.2155 -9.2155 -9.1758 -9.1758 -9.1669 -9.1669 -2.7604 -2.7604 0.1731 0.1731 2.5177 2.5177 4.8083 4.8083 6.3425 6.3425 6.6230 6.6230 6.7048 6.7048 7.3822 7.3822 8.5085 8.5085 k =-0.3857 0.4781-0.0000 ( 3816 PWs) bands (ev): -41.2927 -41.2927 -41.2754 -41.2754 -41.0752 -41.0752 -41.0701 -41.0701 -9.7684 -9.7684 -9.7194 -9.7194 -9.7151 -9.7151 -9.7102 -9.7102 -9.3164 -9.3164 -9.3040 -9.3040 -9.2384 -9.2384 -9.2153 -9.2153 -9.1758 -9.1758 -9.1668 -9.1668 -2.7515 -2.7515 0.2044 0.2044 2.4393 2.4393 4.8293 4.8293 6.3485 6.3485 6.5694 6.5694 6.7483 6.7483 7.2392 7.2392 8.6669 8.6669 k =-0.3786 0.4930-0.0000 ( 3820 PWs) bands (ev): -41.2927 -41.2927 -41.2753 -41.2753 -41.0752 -41.0752 -41.0703 -41.0703 -9.7684 -9.7684 -9.7193 -9.7193 -9.7151 -9.7151 -9.7103 -9.7103 -9.3165 -9.3165 -9.3040 -9.3040 -9.2383 -9.2383 -9.2151 -9.2151 -9.1759 -9.1759 -9.1667 -9.1667 -2.7426 -2.7426 0.2376 0.2376 2.3632 2.3632 4.8504 4.8504 6.3544 6.3544 6.5124 6.5124 6.7947 6.7947 7.0993 7.0993 8.7814 8.7814 k =-0.3714 0.5080-0.0000 ( 3818 PWs) bands (ev): -41.2927 -41.2927 -41.2752 -41.2752 -41.0751 -41.0751 -41.0704 -41.0704 -9.7684 -9.7684 -9.7193 -9.7193 -9.7150 -9.7150 -9.7103 -9.7103 -9.3165 -9.3165 -9.3041 -9.3041 -9.2382 -9.2382 -9.2149 -9.2149 -9.1759 -9.1759 -9.1666 -9.1666 -2.7339 -2.7339 0.2727 0.2727 2.2899 2.2899 4.8713 4.8713 6.3596 6.3596 6.4528 6.4528 6.8438 6.8438 6.9629 6.9629 8.6717 8.6717 k =-0.3643 0.5229-0.0000 ( 3812 PWs) bands (ev): -41.2927 -41.2927 -41.2752 -41.2752 -41.0750 -41.0750 -41.0705 -41.0705 -9.7684 -9.7684 -9.7191 -9.7191 -9.7149 -9.7149 -9.7103 -9.7103 -9.3165 -9.3165 -9.3041 -9.3041 -9.2382 -9.2382 -9.2147 -9.2147 -9.1759 -9.1759 -9.1665 -9.1665 -2.7255 -2.7255 0.3096 0.3096 2.2197 2.2197 4.8915 4.8915 6.3626 6.3626 6.3925 6.3925 6.8299 6.8299 6.8966 6.8966 8.5667 8.5667 k =-0.3571 0.5379-0.0000 ( 3812 PWs) bands (ev): -41.2927 -41.2927 -41.2751 -41.2751 -41.0749 -41.0749 -41.0707 -41.0707 -9.7685 -9.7685 -9.7190 -9.7190 -9.7149 -9.7149 -9.7104 -9.7104 -9.3166 -9.3166 -9.3042 -9.3042 -9.2381 -9.2381 -9.2145 -9.2145 -9.1760 -9.1760 -9.1664 -9.1664 -2.7176 -2.7176 0.3482 0.3482 2.1531 2.1531 4.9108 4.9108 6.3251 6.3251 6.3684 6.3684 6.7036 6.7036 6.9511 6.9511 8.4672 8.4672 k =-0.3500 0.5528-0.0000 ( 3816 PWs) bands (ev): -41.2927 -41.2927 -41.2750 -41.2750 -41.0748 -41.0748 -41.0708 -41.0708 -9.7685 -9.7685 -9.7190 -9.7190 -9.7149 -9.7149 -9.7104 -9.7104 -9.3166 -9.3166 -9.3042 -9.3042 -9.2380 -9.2380 -9.2144 -9.2144 -9.1761 -9.1761 -9.1663 -9.1663 -2.7102 -2.7102 0.3887 0.3887 2.0904 2.0904 4.9286 4.9286 6.2611 6.2611 6.3627 6.3627 6.5873 6.5873 7.0086 7.0086 8.3737 8.3737 k =-0.3429 0.5677-0.0000 ( 3822 PWs) bands (ev): -41.2928 -41.2928 -41.2749 -41.2749 -41.0747 -41.0747 -41.0709 -41.0709 -9.7685 -9.7685 -9.7190 -9.7190 -9.7149 -9.7149 -9.7104 -9.7104 -9.3167 -9.3167 -9.3043 -9.3043 -9.2380 -9.2380 -9.2142 -9.2142 -9.1761 -9.1761 -9.1662 -9.1662 -2.7035 -2.7035 0.4308 0.4308 2.0318 2.0318 4.9446 4.9446 6.1955 6.1955 6.3353 6.3353 6.4967 6.4967 7.0688 7.0688 8.2866 8.2866 k =-0.3357 0.5827-0.0000 ( 3822 PWs) bands (ev): -41.2928 -41.2928 -41.2749 -41.2749 -41.0746 -41.0746 -41.0711 -41.0711 -9.7686 -9.7686 -9.7189 -9.7189 -9.7148 -9.7148 -9.7104 -9.7104 -9.3168 -9.3168 -9.3043 -9.3043 -9.2380 -9.2380 -9.2140 -9.2140 -9.1762 -9.1762 -9.1661 -9.1661 -2.6976 -2.6976 0.4746 0.4746 1.9777 1.9777 4.9584 4.9584 6.1290 6.1290 6.2629 6.2629 6.4551 6.4551 7.1317 7.1317 8.2067 8.2067 k =-0.3286 0.5976-0.0000 ( 3818 PWs) bands (ev): -41.2928 -41.2928 -41.2748 -41.2748 -41.0745 -41.0745 -41.0712 -41.0712 -9.7686 -9.7686 -9.7189 -9.7189 -9.7148 -9.7148 -9.7104 -9.7104 -9.3168 -9.3168 -9.3043 -9.3043 -9.2379 -9.2379 -9.2138 -9.2138 -9.1763 -9.1763 -9.1660 -9.1660 -2.6927 -2.6927 0.5199 0.5199 1.9284 1.9284 4.9694 4.9694 6.0614 6.0614 6.1624 6.1624 6.4456 6.4456 7.1974 7.1974 8.1343 8.1343 k =-0.3214 0.6126-0.0000 ( 3814 PWs) bands (ev): -41.2928 -41.2928 -41.2747 -41.2747 -41.0744 -41.0744 -41.0714 -41.0714 -9.7687 -9.7687 -9.7188 -9.7188 -9.7147 -9.7147 -9.7103 -9.7103 -9.3169 -9.3169 -9.3043 -9.3043 -9.2379 -9.2379 -9.2137 -9.2137 -9.1763 -9.1763 -9.1659 -9.1659 -2.6889 -2.6889 0.5669 0.5669 1.8841 1.8841 4.9773 4.9773 5.9918 5.9918 6.0570 6.0570 6.4466 6.4466 7.2657 7.2657 8.0700 8.0700 k =-0.3143 0.6275-0.0000 ( 3822 PWs) bands (ev): -41.2929 -41.2929 -41.2747 -41.2747 -41.0743 -41.0743 -41.0715 -41.0715 -9.7687 -9.7687 -9.7188 -9.7188 -9.7147 -9.7147 -9.7104 -9.7104 -9.3170 -9.3170 -9.3044 -9.3044 -9.2379 -9.2379 -9.2136 -9.2136 -9.1764 -9.1764 -9.1658 -9.1658 -2.6863 -2.6863 0.6152 0.6152 1.8449 1.8449 4.9814 4.9814 5.9148 5.9148 5.9590 5.9590 6.4512 6.4512 7.3367 7.3367 8.0144 8.0144 k =-0.3071 0.6424-0.0000 ( 3822 PWs) bands (ev): -41.2929 -41.2929 -41.2746 -41.2746 -41.0741 -41.0741 -41.0717 -41.0717 -9.7688 -9.7688 -9.7188 -9.7188 -9.7147 -9.7147 -9.7104 -9.7104 -9.3170 -9.3170 -9.3044 -9.3044 -9.2379 -9.2379 -9.2135 -9.2135 -9.1765 -9.1765 -9.1656 -9.1656 -2.6849 -2.6849 0.6650 0.6650 1.8111 1.8111 4.9816 4.9816 5.8223 5.8223 5.8791 5.8791 6.4574 6.4574 7.4102 7.4102 7.9678 7.9678 k =-0.3071 0.6424-0.0000 ( 3822 PWs) bands (ev): -41.2929 -41.2929 -41.2746 -41.2746 -41.0741 -41.0741 -41.0717 -41.0717 -9.7688 -9.7688 -9.7188 -9.7188 -9.7147 -9.7147 -9.7104 -9.7104 -9.3170 -9.3170 -9.3044 -9.3044 -9.2379 -9.2379 -9.2135 -9.2135 -9.1765 -9.1765 -9.1656 -9.1656 -2.6849 -2.6849 0.6650 0.6650 1.8111 1.8111 4.9816 4.9816 5.8223 5.8223 5.8791 5.8791 6.4574 6.4574 7.4102 7.4102 7.9678 7.9678 k =-0.3071 0.6424 0.0168 ( 3830 PWs) bands (ev): -41.2929 -41.2929 -41.2746 -41.2746 -41.0741 -41.0741 -41.0717 -41.0717 -9.7688 -9.7688 -9.7191 -9.7191 -9.7146 -9.7146 -9.7103 -9.7103 -9.3170 -9.3170 -9.3044 -9.3044 -9.2379 -9.2379 -9.2136 -9.2136 -9.1768 -9.1768 -9.1653 -9.1653 -2.6835 -2.6835 0.6653 0.6653 1.8123 1.8123 4.9527 4.9527 5.8232 5.8232 5.8736 5.8736 6.4833 6.4833 7.4150 7.4150 7.9612 7.9612 k =-0.3071 0.6424 0.0337 ( 3827 PWs) bands (ev): -41.2929 -41.2929 -41.2746 -41.2746 -41.0741 -41.0741 -41.0717 -41.0717 -9.7689 -9.7689 -9.7198 -9.7198 -9.7142 -9.7142 -9.7099 -9.7099 -9.3169 -9.3169 -9.3045 -9.3045 -9.2377 -9.2377 -9.2139 -9.2139 -9.1776 -9.1776 -9.1643 -9.1643 -2.6792 -2.6792 0.6661 0.6661 1.8160 1.8160 4.8733 4.8733 5.8176 5.8176 5.8619 5.8619 6.5581 6.5581 7.4291 7.4291 7.9425 7.9425 k =-0.3071 0.6424 0.0505 ( 3831 PWs) bands (ev): -41.2928 -41.2928 -41.2747 -41.2747 -41.0741 -41.0741 -41.0717 -41.0717 -9.7690 -9.7690 -9.7207 -9.7207 -9.7139 -9.7139 -9.7093 -9.7093 -9.3167 -9.3167 -9.3045 -9.3045 -9.2374 -9.2374 -9.2143 -9.2143 -9.1788 -9.1788 -9.1630 -9.1630 -2.6720 -2.6720 0.6674 0.6674 1.8220 1.8220 4.7586 4.7586 5.7904 5.7904 5.8527 5.8527 6.6732 6.6732 7.4516 7.4516 7.9140 7.9140 k =-0.3071 0.6424 0.0673 ( 3829 PWs) bands (ev): -41.2927 -41.2927 -41.2747 -41.2747 -41.0741 -41.0741 -41.0717 -41.0717 -9.7690 -9.7690 -9.7217 -9.7217 -9.7136 -9.7136 -9.7086 -9.7086 -9.3164 -9.3164 -9.3046 -9.3046 -9.2371 -9.2371 -9.2149 -9.2149 -9.1800 -9.1800 -9.1613 -9.1613 -2.6620 -2.6620 0.6691 0.6691 1.8305 1.8305 4.6224 4.6224 5.7438 5.7438 5.8418 5.8418 6.8176 6.8176 7.4812 7.4812 7.8792 7.8792 k =-0.3071 0.6424 0.0842 ( 3824 PWs) bands (ev): -41.2927 -41.2927 -41.2748 -41.2748 -41.0741 -41.0741 -41.0718 -41.0718 -9.7691 -9.7691 -9.7228 -9.7228 -9.7134 -9.7134 -9.7076 -9.7076 -9.3161 -9.3161 -9.3046 -9.3046 -9.2367 -9.2367 -9.2157 -9.2157 -9.1812 -9.1812 -9.1596 -9.1596 -2.6491 -2.6491 0.6710 0.6710 1.8414 1.8414 4.4740 4.4740 5.6838 5.6838 5.8244 5.8244 6.9808 6.9808 7.5164 7.5164 7.8427 7.8427 k =-0.3071 0.6424 0.1010 ( 3820 PWs) bands (ev): -41.2925 -41.2925 -41.2749 -41.2749 -41.0741 -41.0741 -41.0718 -41.0718 -9.7692 -9.7692 -9.7239 -9.7239 -9.7132 -9.7132 -9.7067 -9.7067 -9.3157 -9.3157 -9.3047 -9.3047 -9.2362 -9.2362 -9.2166 -9.2166 -9.1824 -9.1824 -9.1578 -9.1578 -2.6334 -2.6334 0.6732 0.6732 1.8548 1.8548 4.3194 4.3194 5.6136 5.6136 5.7993 5.7993 7.1527 7.1527 7.5560 7.5560 7.8112 7.8112 k =-0.3071 0.6424 0.1178 ( 3822 PWs) bands (ev): -41.2924 -41.2924 -41.2750 -41.2750 -41.0741 -41.0741 -41.0718 -41.0718 -9.7694 -9.7694 -9.7250 -9.7250 -9.7130 -9.7130 -9.7057 -9.7057 -9.3153 -9.3153 -9.3048 -9.3048 -9.2356 -9.2356 -9.2176 -9.2176 -9.1835 -9.1835 -9.1561 -9.1561 -2.6148 -2.6148 0.6752 0.6752 1.8705 1.8705 4.1622 4.1622 5.5353 5.5353 5.7666 5.7666 7.3189 7.3189 7.5988 7.5988 7.7973 7.7973 k =-0.3071 0.6424 0.1346 ( 3828 PWs) bands (ev): -41.2923 -41.2923 -41.2751 -41.2751 -41.0741 -41.0741 -41.0718 -41.0718 -9.7696 -9.7696 -9.7261 -9.7261 -9.7128 -9.7128 -9.7047 -9.7047 -9.3149 -9.3149 -9.3048 -9.3048 -9.2350 -9.2350 -9.2188 -9.2188 -9.1845 -9.1845 -9.1544 -9.1544 -2.5933 -2.5933 0.6770 0.6770 1.8887 1.8887 4.0049 4.0049 5.4505 5.4505 5.7265 5.7265 7.4488 7.4488 7.6439 7.6439 7.8308 7.8308 k =-0.3071 0.6424 0.1515 ( 3826 PWs) bands (ev): -41.2921 -41.2921 -41.2752 -41.2752 -41.0741 -41.0741 -41.0719 -41.0719 -9.7698 -9.7698 -9.7272 -9.7272 -9.7127 -9.7127 -9.7037 -9.7037 -9.3144 -9.3144 -9.3049 -9.3049 -9.2344 -9.2344 -9.2200 -9.2200 -9.1854 -9.1854 -9.1527 -9.1527 -2.5690 -2.5690 0.6781 0.6781 1.9093 1.9093 3.8494 3.8494 5.3604 5.3604 5.6792 5.6792 7.5077 7.5077 7.6902 7.6902 7.9463 7.9463 k =-0.3071 0.6424 0.1683 ( 3828 PWs) bands (ev): -41.2919 -41.2919 -41.2753 -41.2753 -41.0741 -41.0741 -41.0719 -41.0719 -9.7700 -9.7700 -9.7283 -9.7283 -9.7125 -9.7125 -9.7028 -9.7028 -9.3139 -9.3139 -9.3049 -9.3049 -9.2337 -9.2337 -9.2213 -9.2213 -9.1861 -9.1861 -9.1511 -9.1511 -2.5418 -2.5418 0.6782 0.6782 1.9322 1.9322 3.6970 3.6970 5.2661 5.2661 5.6248 5.6248 7.5155 7.5155 7.7374 7.7374 8.1236 8.1236 k =-0.3071 0.6424 0.1851 ( 3832 PWs) bands (ev): -41.2917 -41.2917 -41.2755 -41.2755 -41.0741 -41.0741 -41.0720 -41.0720 -9.7701 -9.7701 -9.7294 -9.7294 -9.7123 -9.7123 -9.7020 -9.7020 -9.3133 -9.3133 -9.3049 -9.3049 -9.2331 -9.2331 -9.2226 -9.2226 -9.1867 -9.1867 -9.1496 -9.1496 -2.5118 -2.5118 0.6770 0.6770 1.9576 1.9576 3.5488 3.5488 5.1686 5.1686 5.5639 5.5639 7.5063 7.5063 7.7852 7.7852 8.3282 8.3282 k =-0.3071 0.6424 0.2020 ( 3829 PWs) bands (ev): -41.2915 -41.2915 -41.2757 -41.2757 -41.0741 -41.0741 -41.0720 -41.0720 -9.7702 -9.7702 -9.7305 -9.7305 -9.7121 -9.7121 -9.7012 -9.7012 -9.3128 -9.3128 -9.3049 -9.3049 -9.2326 -9.2326 -9.2237 -9.2237 -9.1871 -9.1871 -9.1482 -9.1482 -2.4789 -2.4789 0.6737 0.6737 1.9853 1.9853 3.4059 3.4059 5.0686 5.0686 5.4967 5.4967 7.4946 7.4946 7.8331 7.8331 8.5454 8.5454 k =-0.3071 0.6424 0.2188 ( 3825 PWs) bands (ev): -41.2913 -41.2913 -41.2758 -41.2758 -41.0741 -41.0741 -41.0720 -41.0720 -9.7703 -9.7703 -9.7315 -9.7315 -9.7119 -9.7119 -9.7005 -9.7005 -9.3123 -9.3123 -9.3048 -9.3048 -9.2322 -9.2322 -9.2247 -9.2247 -9.1874 -9.1874 -9.1469 -9.1469 -2.4432 -2.4432 0.6679 0.6679 2.0154 2.0154 3.2692 3.2692 4.9668 4.9668 5.4239 5.4239 7.4855 7.4855 7.8812 7.8812 8.7694 8.7694 k =-0.3071 0.6424 0.2356 ( 3826 PWs) bands (ev): -41.2910 -41.2910 -41.2760 -41.2760 -41.0741 -41.0741 -41.0721 -41.0721 -9.7704 -9.7704 -9.7325 -9.7325 -9.7116 -9.7116 -9.6998 -9.6998 -9.3118 -9.3118 -9.3047 -9.3047 -9.2322 -9.2322 -9.2254 -9.2254 -9.1876 -9.1876 -9.1457 -9.1457 -2.4046 -2.4046 0.6589 0.6589 2.0479 2.0479 3.1398 3.1398 4.8638 4.8638 5.3460 5.3460 7.4807 7.4807 7.9292 7.9292 8.9974 8.9974 k =-0.3071 0.6424 0.2525 ( 3820 PWs) bands (ev): -41.2908 -41.2908 -41.2762 -41.2762 -41.0741 -41.0741 -41.0721 -41.0721 -9.7704 -9.7704 -9.7335 -9.7335 -9.7114 -9.7114 -9.6993 -9.6993 -9.3114 -9.3114 -9.3044 -9.3044 -9.2324 -9.2324 -9.2257 -9.2257 -9.1875 -9.1875 -9.1447 -9.1447 -2.3632 -2.3632 0.6459 0.6459 2.0827 2.0827 3.0186 3.0186 4.7599 4.7599 5.2637 5.2637 7.4812 7.4812 7.9770 7.9770 9.2275 9.2275 k =-0.3071 0.6424 0.2693 ( 3817 PWs) bands (ev): -41.2905 -41.2905 -41.2765 -41.2765 -41.0741 -41.0741 -41.0722 -41.0722 -9.7703 -9.7703 -9.7345 -9.7345 -9.7111 -9.7111 -9.6988 -9.6988 -9.3111 -9.3111 -9.3042 -9.3042 -9.2331 -9.2331 -9.2256 -9.2256 -9.1874 -9.1874 -9.1438 -9.1438 -2.3190 -2.3190 0.6280 0.6280 2.1199 2.1199 2.9066 2.9066 4.6556 4.6556 5.1777 5.1777 7.4869 7.4869 8.0246 8.0246 9.4580 9.4580 k =-0.3071 0.6424 0.2861 ( 3815 PWs) bands (ev): -41.2902 -41.2902 -41.2767 -41.2767 -41.0741 -41.0741 -41.0723 -41.0723 -9.7702 -9.7702 -9.7356 -9.7356 -9.7109 -9.7109 -9.6984 -9.6984 -9.3108 -9.3108 -9.3038 -9.3038 -9.2340 -9.2340 -9.2253 -9.2253 -9.1871 -9.1871 -9.1430 -9.1430 -2.2719 -2.2719 0.6045 0.6045 2.1594 2.1594 2.8047 2.8047 4.5513 4.5513 5.0885 5.0885 7.4979 7.4979 8.0719 8.0719 9.6870 9.6870 k =-0.3071 0.6424 0.3029 ( 3815 PWs) bands (ev): -41.2899 -41.2899 -41.2769 -41.2769 -41.0741 -41.0741 -41.0723 -41.0723 -9.7701 -9.7701 -9.7366 -9.7366 -9.7106 -9.7106 -9.6981 -9.6981 -9.3106 -9.3106 -9.3035 -9.3035 -9.2349 -9.2349 -9.2250 -9.2250 -9.1866 -9.1866 -9.1424 -9.1424 -2.2221 -2.2221 0.5745 0.5745 2.2012 2.2012 2.7140 2.7140 4.4472 4.4472 4.9969 4.9969 7.5139 7.5139 8.1189 8.1189 9.9113 9.9113 k =-0.3071 0.6424 0.3198 ( 3812 PWs) bands (ev): -41.2896 -41.2896 -41.2772 -41.2772 -41.0741 -41.0741 -41.0724 -41.0724 -9.7699 -9.7699 -9.7376 -9.7376 -9.7103 -9.7103 -9.6978 -9.6978 -9.3104 -9.3104 -9.3031 -9.3031 -9.2358 -9.2358 -9.2246 -9.2246 -9.1859 -9.1859 -9.1420 -9.1420 -2.1694 -2.1694 0.5373 0.5373 2.2452 2.2452 2.6352 2.6352 4.3437 4.3437 4.9033 4.9033 7.5347 7.5347 8.1653 8.1653 10.1258 10.1258 k =-0.3071 0.6424 0.3366 ( 3811 PWs) bands (ev): -41.2893 -41.2893 -41.2775 -41.2775 -41.0740 -41.0740 -41.0724 -41.0724 -9.7696 -9.7696 -9.7387 -9.7387 -9.7099 -9.7099 -9.6977 -9.6977 -9.3103 -9.3103 -9.3027 -9.3027 -9.2366 -9.2366 -9.2243 -9.2243 -9.1851 -9.1851 -9.1417 -9.1417 -2.1140 -2.1140 0.4926 0.4926 2.2915 2.2915 2.5689 2.5689 4.2409 4.2409 4.8083 4.8083 7.5599 7.5599 8.2110 8.2110 10.2789 10.2789 k =-0.3071 0.6424 0.3534 ( 3814 PWs) bands (ev): -41.2889 -41.2889 -41.2778 -41.2778 -41.0740 -41.0740 -41.0725 -41.0725 -9.7693 -9.7693 -9.7397 -9.7397 -9.7096 -9.7096 -9.6976 -9.6976 -9.3102 -9.3102 -9.3024 -9.3024 -9.2374 -9.2374 -9.2241 -9.2241 -9.1841 -9.1841 -9.1415 -9.1415 -2.0558 -2.0558 0.4401 0.4401 2.3398 2.3398 2.5155 2.5155 4.1392 4.1392 4.7123 4.7123 7.5892 7.5892 8.2556 8.2556 10.2217 10.2217 k =-0.3071 0.6424 0.3703 ( 3819 PWs) bands (ev): -41.2886 -41.2886 -41.2781 -41.2781 -41.0740 -41.0740 -41.0726 -41.0726 -9.7689 -9.7689 -9.7408 -9.7408 -9.7093 -9.7093 -9.6977 -9.6977 -9.3101 -9.3101 -9.3022 -9.3022 -9.2380 -9.2380 -9.2240 -9.2240 -9.1829 -9.1829 -9.1416 -9.1416 -1.9949 -1.9949 0.3799 0.3799 2.3893 2.3893 2.4757 2.4757 4.0386 4.0386 4.6157 4.6157 7.6224 7.6224 8.2989 8.2989 10.1529 10.1529 k =-0.3071 0.6424 0.3871 ( 3821 PWs) bands (ev): -41.2882 -41.2882 -41.2784 -41.2784 -41.0740 -41.0740 -41.0726 -41.0726 -9.7684 -9.7684 -9.7419 -9.7419 -9.7089 -9.7089 -9.6978 -9.6978 -9.3100 -9.3100 -9.3020 -9.3020 -9.2384 -9.2384 -9.2240 -9.2240 -9.1816 -9.1816 -9.1418 -9.1418 -1.9312 -1.9312 0.3123 0.3123 2.4289 2.4289 2.4603 2.4603 3.9394 3.9394 4.5188 4.5188 7.6591 7.6591 8.3403 8.3403 10.0827 10.0827 k =-0.3071 0.6424 0.4039 ( 3823 PWs) bands (ev): -41.2878 -41.2878 -41.2787 -41.2787 -41.0739 -41.0739 -41.0727 -41.0727 -9.7679 -9.7679 -9.7430 -9.7430 -9.7085 -9.7085 -9.6979 -9.6979 -9.3099 -9.3099 -9.3019 -9.3019 -9.2387 -9.2387 -9.2241 -9.2241 -9.1802 -9.1802 -9.1422 -9.1422 -1.8649 -1.8649 0.2381 0.2381 2.4231 2.4231 2.5042 2.5042 3.8418 3.8418 4.4221 4.4221 7.6991 7.6991 8.3792 8.3792 10.0136 10.0136 k =-0.3071 0.6424 0.4208 ( 3827 PWs) bands (ev): -41.2875 -41.2875 -41.2790 -41.2790 -41.0739 -41.0739 -41.0728 -41.0728 -9.7673 -9.7673 -9.7441 -9.7441 -9.7082 -9.7082 -9.6981 -9.6981 -9.3098 -9.3098 -9.3019 -9.3019 -9.2388 -9.2388 -9.2243 -9.2243 -9.1786 -9.1786 -9.1427 -9.1427 -1.7959 -1.7959 0.1579 0.1579 2.4181 2.4181 2.5605 2.5605 3.7458 3.7458 4.3256 4.3256 7.7421 7.7421 8.4147 8.4147 9.9475 9.9475 k =-0.3071 0.6424 0.4376 ( 3830 PWs) bands (ev): -41.2871 -41.2871 -41.2793 -41.2793 -41.0739 -41.0739 -41.0728 -41.0728 -9.7666 -9.7666 -9.7453 -9.7453 -9.7078 -9.7078 -9.6984 -9.6984 -9.3097 -9.3097 -9.3019 -9.3019 -9.2387 -9.2387 -9.2247 -9.2247 -9.1769 -9.1769 -9.1434 -9.1434 -1.7243 -1.7243 0.0728 0.0728 2.4221 2.4221 2.6200 2.6200 3.6517 3.6517 4.2298 4.2298 7.7879 7.7879 8.4457 8.4457 9.8864 9.8864 k =-0.3071 0.6424 0.4544 ( 3832 PWs) bands (ev): -41.2867 -41.2867 -41.2797 -41.2797 -41.0739 -41.0739 -41.0729 -41.0729 -9.7659 -9.7659 -9.7464 -9.7464 -9.7073 -9.7073 -9.6987 -9.6987 -9.3095 -9.3095 -9.3021 -9.3021 -9.2385 -9.2385 -9.2251 -9.2251 -9.1750 -9.1750 -9.1442 -9.1442 -1.6502 -1.6502 -0.0163 -0.0163 2.4350 2.4350 2.6818 2.6818 3.5597 3.5597 4.1347 4.1347 7.8362 7.8362 8.4712 8.4712 9.8324 9.8324 k =-0.3071 0.6424 0.4712 ( 3834 PWs) bands (ev): -41.2863 -41.2863 -41.2800 -41.2800 -41.0738 -41.0738 -41.0730 -41.0730 -9.7651 -9.7651 -9.7476 -9.7476 -9.7069 -9.7069 -9.6991 -9.6991 -9.3093 -9.3093 -9.3023 -9.3023 -9.2382 -9.2382 -9.2257 -9.2257 -9.1731 -9.1731 -9.1451 -9.1451 -1.5735 -1.5735 -0.1086 -0.1086 2.4561 2.4561 2.7458 2.7458 3.4697 3.4697 4.0406 4.0406 7.8866 7.8866 8.4897 8.4897 9.7871 9.7871 k =-0.3071 0.6424 0.4881 ( 3834 PWs) bands (ev): -41.2859 -41.2859 -41.2804 -41.2804 -41.0738 -41.0738 -41.0730 -41.0730 -9.7643 -9.7643 -9.7487 -9.7487 -9.7064 -9.7064 -9.6995 -9.6995 -9.3091 -9.3091 -9.3026 -9.3026 -9.2377 -9.2377 -9.2263 -9.2263 -9.1712 -9.1712 -9.1462 -9.1462 -1.4944 -1.4944 -0.2033 -0.2033 2.4845 2.4845 2.8118 2.8118 3.3822 3.3822 3.9476 3.9476 7.9389 7.9389 8.4999 8.4999 9.7526 9.7526 k =-0.3071 0.6424 0.5049 ( 3836 PWs) bands (ev): -41.2855 -41.2855 -41.2808 -41.2808 -41.0738 -41.0738 -41.0731 -41.0731 -9.7633 -9.7633 -9.7499 -9.7499 -9.7060 -9.7060 -9.6999 -9.6999 -9.3088 -9.3088 -9.3029 -9.3029 -9.2371 -9.2371 -9.2270 -9.2270 -9.1692 -9.1692 -9.1475 -9.1475 -1.4129 -1.4129 -0.2995 -0.2995 2.5196 2.5196 2.8798 2.8798 3.2973 3.2973 3.8558 3.8558 7.9927 7.9927 8.5009 8.5009 9.7301 9.7301 k =-0.3071 0.6424 0.5217 ( 3836 PWs) bands (ev): -41.2851 -41.2851 -41.2811 -41.2811 -41.0737 -41.0737 -41.0732 -41.0732 -9.7624 -9.7624 -9.7511 -9.7511 -9.7055 -9.7055 -9.7003 -9.7003 -9.3085 -9.3085 -9.3032 -9.3032 -9.2365 -9.2365 -9.2277 -9.2277 -9.1672 -9.1672 -9.1488 -9.1488 -1.3291 -1.3291 -0.3967 -0.3967 2.5606 2.5606 2.9492 2.9492 3.2156 3.2156 3.7654 3.7654 8.0477 8.0477 8.4919 8.4919 9.7205 9.7205 k =-0.3071 0.6424 0.5386 ( 3836 PWs) bands (ev): -41.2847 -41.2847 -41.2815 -41.2815 -41.0737 -41.0737 -41.0732 -41.0732 -9.7614 -9.7614 -9.7523 -9.7523 -9.7050 -9.7050 -9.7008 -9.7008 -9.3082 -9.3082 -9.3036 -9.3036 -9.2357 -9.2357 -9.2286 -9.2286 -9.1651 -9.1651 -9.1502 -9.1502 -1.2430 -1.2430 -0.4942 -0.4942 2.6071 2.6071 3.0174 3.0174 3.1397 3.1397 3.6765 3.6765 8.1033 8.1033 8.4730 8.4730 9.7242 9.7242 k =-0.3071 0.6424 0.5554 ( 3836 PWs) bands (ev): -41.2843 -41.2843 -41.2819 -41.2819 -41.0736 -41.0736 -41.0733 -41.0733 -9.7603 -9.7603 -9.7535 -9.7535 -9.7045 -9.7045 -9.7013 -9.7013 -9.3079 -9.3079 -9.3040 -9.3040 -9.2349 -9.2349 -9.2294 -9.2294 -9.1631 -9.1631 -9.1518 -9.1518 -1.1549 -1.1549 -0.5917 -0.5917 2.6586 2.6586 3.0394 3.0394 3.1149 3.1149 3.5892 3.5892 8.1590 8.1590 8.4450 8.4450 9.7404 9.7404 k =-0.3071 0.6424 0.5722 ( 3830 PWs) bands (ev): -41.2839 -41.2839 -41.2823 -41.2823 -41.0736 -41.0736 -41.0734 -41.0734 -9.7592 -9.7592 -9.7547 -9.7547 -9.7039 -9.7039 -9.7018 -9.7018 -9.3076 -9.3076 -9.3043 -9.3043 -9.2340 -9.2340 -9.2302 -9.2302 -9.1611 -9.1611 -9.1535 -9.1535 -1.0649 -1.0649 -0.6886 -0.6886 2.7145 2.7145 2.9754 2.9754 3.1811 3.1811 3.5036 3.5036 8.2140 8.2140 8.4090 8.4090 9.7683 9.7683 k =-0.3071 0.6424 0.5891 ( 3828 PWs) bands (ev): -41.2835 -41.2835 -41.2827 -41.2827 -41.0735 -41.0735 -41.0734 -41.0734 -9.7581 -9.7581 -9.7558 -9.7558 -9.7034 -9.7034 -9.7022 -9.7022 -9.3074 -9.3074 -9.3045 -9.3045 -9.2332 -9.2332 -9.2311 -9.2311 -9.1591 -9.1591 -9.1552 -9.1552 -0.9730 -0.9730 -0.7846 -0.7846 2.7745 2.7745 2.9061 2.9061 3.2577 3.2577 3.4199 3.4199 8.2677 8.2677 8.3665 8.3665 9.8064 9.8064 k =-0.3071 0.6424 0.6059 ( 3834 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7571 -9.7571 -9.7570 -9.7570 -9.7031 -9.7031 -9.7025 -9.7025 -9.3073 -9.3073 -9.3046 -9.3046 -9.2327 -9.2327 -9.2316 -9.2316 -9.1578 -9.1578 -9.1566 -9.1566 -0.8797 -0.8797 -0.8793 -0.8793 2.8325 2.8325 2.8448 2.8448 3.3309 3.3309 3.3444 3.3444 8.3183 8.3183 8.3195 8.3195 9.8508 9.8508 k =-0.3071 0.6424 0.6059 ( 3834 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7571 -9.7571 -9.7570 -9.7570 -9.7031 -9.7031 -9.7025 -9.7025 -9.3073 -9.3073 -9.3046 -9.3046 -9.2327 -9.2327 -9.2316 -9.2316 -9.1578 -9.1578 -9.1566 -9.1566 -0.8797 -0.8797 -0.8793 -0.8793 2.8325 2.8325 2.8448 2.8448 3.3309 3.3309 3.3444 3.3444 8.3183 8.3183 8.3195 8.3195 9.8508 9.8508 k =-0.3143 0.6275 0.6059 ( 3842 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0735 -41.0735 -41.0735 -41.0735 -9.7571 -9.7571 -9.7570 -9.7570 -9.7032 -9.7032 -9.7026 -9.7026 -9.3074 -9.3074 -9.3047 -9.3047 -9.2328 -9.2328 -9.2317 -9.2317 -9.1579 -9.1579 -9.1567 -9.1567 -0.8857 -0.8857 -0.8853 -0.8853 2.7933 2.7933 2.8048 2.8048 3.3754 3.3754 3.3881 3.3881 8.4165 8.4165 8.4176 8.4176 9.9371 9.9371 k =-0.3214 0.6126 0.6059 ( 3846 PWs) bands (ev): -41.2831 -41.2831 -41.2831 -41.2831 -41.0734 -41.0734 -41.0734 -41.0734 -9.7572 -9.7572 -9.7570 -9.7570 -9.7032 -9.7032 -9.7026 -9.7026 -9.3074 -9.3074 -9.3047 -9.3047 -9.2329 -9.2329 -9.2318 -9.2318 -9.1579 -9.1579 -9.1568 -9.1568 -0.8933 -0.8933 -0.8928 -0.8928 2.7554 2.7554 2.7661 2.7661 3.4261 3.4261 3.4379 3.4379 8.5164 8.5164 8.5174 8.5174 10.0252 10.0252 k =-0.3286 0.5976 0.6059 ( 3848 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0734 -41.0734 -41.0734 -41.0734 -9.7572 -9.7572 -9.7571 -9.7571 -9.7032 -9.7032 -9.7026 -9.7026 -9.3073 -9.3073 -9.3046 -9.3046 -9.2330 -9.2330 -9.2319 -9.2319 -9.1580 -9.1580 -9.1569 -9.1569 -0.9022 -0.9022 -0.9017 -0.9017 2.7188 2.7188 2.7287 2.7287 3.4826 3.4826 3.4937 3.4937 8.6180 8.6180 8.6187 8.6187 10.1149 10.1149 k =-0.3357 0.5827 0.6059 ( 3852 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0734 -41.0734 -41.0734 -41.0734 -9.7573 -9.7573 -9.7571 -9.7571 -9.7033 -9.7033 -9.7026 -9.7026 -9.3073 -9.3073 -9.3046 -9.3046 -9.2331 -9.2331 -9.2320 -9.2320 -9.1581 -9.1581 -9.1570 -9.1570 -0.9123 -0.9123 -0.9118 -0.9118 2.6835 2.6835 2.6928 2.6928 3.5448 3.5448 3.5553 3.5553 8.7207 8.7207 8.7214 8.7214 10.2060 10.2060 k =-0.3429 0.5677 0.6059 ( 3844 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0734 -41.0734 -41.0734 -41.0734 -9.7573 -9.7573 -9.7571 -9.7571 -9.7032 -9.7032 -9.7026 -9.7026 -9.3072 -9.3072 -9.3046 -9.3046 -9.2332 -9.2332 -9.2321 -9.2321 -9.1582 -9.1582 -9.1571 -9.1571 -0.9235 -0.9235 -0.9229 -0.9229 2.6496 2.6496 2.6582 2.6582 3.6124 3.6124 3.6223 3.6223 8.8242 8.8242 8.8248 8.8248 10.2981 10.2981 k =-0.3500 0.5528 0.6059 ( 3844 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0734 -41.0734 -41.0734 -41.0734 -9.7573 -9.7573 -9.7571 -9.7571 -9.7033 -9.7033 -9.7026 -9.7026 -9.3072 -9.3072 -9.3046 -9.3046 -9.2333 -9.2333 -9.2322 -9.2322 -9.1583 -9.1583 -9.1572 -9.1572 -0.9355 -0.9355 -0.9349 -0.9349 2.6171 2.6171 2.6251 2.6251 3.6852 3.6852 3.6944 3.6944 8.9279 8.9279 8.9283 8.9283 10.3903 10.3903 k =-0.3571 0.5379 0.6059 ( 3852 PWs) bands (ev): -41.2832 -41.2832 -41.2832 -41.2832 -41.0733 -41.0733 -41.0733 -41.0733 -9.7574 -9.7574 -9.7571 -9.7571 -9.7033 -9.7033 -9.7026 -9.7026 -9.3072 -9.3072 -9.3046 -9.3046 -9.2334 -9.2334 -9.2323 -9.2323 -9.1584 -9.1584 -9.1573 -9.1573 -0.9481 -0.9481 -0.9476 -0.9476 2.5860 2.5860 2.5934 2.5934 3.7628 3.7628 3.7715 3.7715 9.0305 9.0305 9.0309 9.0309 10.4800 10.4800 k =-0.3643 0.5229 0.6059 ( 3844 PWs) bands (ev): -41.2833 -41.2833 -41.2833 -41.2833 -41.0733 -41.0733 -41.0733 -41.0733 -9.7574 -9.7574 -9.7571 -9.7571 -9.7033 -9.7033 -9.7026 -9.7026 -9.3072 -9.3072 -9.3046 -9.3046 -9.2334 -9.2334 -9.2323 -9.2323 -9.1584 -9.1584 -9.1574 -9.1574 -0.9613 -0.9613 -0.9608 -0.9608 2.5563 2.5563 2.5632 2.5632 3.8451 3.8451 3.8533 3.8533 9.1303 9.1303 9.1306 9.1306 10.5541 10.5541 k =-0.3714 0.5080 0.6059 ( 3844 PWs) bands (ev): -41.2833 -41.2833 -41.2833 -41.2833 -41.0733 -41.0733 -41.0733 -41.0733 -9.7574 -9.7574 -9.7572 -9.7572 -9.7033 -9.7033 -9.7027 -9.7027 -9.3072 -9.3072 -9.3047 -9.3047 -9.2335 -9.2335 -9.2324 -9.2324 -9.1585 -9.1585 -9.1575 -9.1575 -0.9748 -0.9748 -0.9743 -0.9743 2.5280 2.5280 2.5344 2.5344 3.9316 3.9316 3.9393 3.9393 9.2237 9.2237 9.2241 9.2241 10.5334 10.5334 k =-0.3786 0.4930 0.6059 ( 3848 PWs) bands (ev): -41.2833 -41.2833 -41.2833 -41.2833 -41.0733 -41.0733 -41.0733 -41.0733 -9.7574 -9.7574 -9.7572 -9.7572 -9.7034 -9.7034 -9.7027 -9.7027 -9.3071 -9.3071 -9.3047 -9.3047 -9.2336 -9.2336 -9.2325 -9.2325 -9.1585 -9.1585 -9.1576 -9.1576 -0.9884 -0.9884 -0.9879 -0.9879 2.5012 2.5012 2.5071 2.5071 4.0220 4.0220 4.0293 4.0293 9.3047 9.3047 9.3052 9.3052 10.4071 10.4071 k =-0.3857 0.4781 0.6059 ( 3848 PWs) bands (ev): -41.2833 -41.2833 -41.2833 -41.2833 -41.0733 -41.0733 -41.0732 -41.0732 -9.7574 -9.7574 -9.7572 -9.7572 -9.7034 -9.7034 -9.7028 -9.7028 -9.3071 -9.3071 -9.3047 -9.3047 -9.2337 -9.2337 -9.2326 -9.2326 -9.1586 -9.1586 -9.1577 -9.1577 -1.0021 -1.0021 -1.0016 -1.0016 2.4759 2.4759 2.4813 2.4813 4.1160 4.1160 4.1228 4.1228 9.3616 9.3616 9.3624 9.3624 10.2857 10.2857 k =-0.3929 0.4631 0.6059 ( 3836 PWs) bands (ev): -41.2834 -41.2834 -41.2834 -41.2834 -41.0732 -41.0732 -41.0732 -41.0732 -9.7574 -9.7574 -9.7572 -9.7572 -9.7033 -9.7033 -9.7027 -9.7027 -9.3070 -9.3070 -9.3047 -9.3047 -9.2337 -9.2337 -9.2327 -9.2327 -9.1587 -9.1587 -9.1578 -9.1578 -1.0156 -1.0156 -1.0151 -1.0151 2.4520 2.4520 2.4570 2.4570 4.2132 4.2132 4.2196 4.2196 9.3765 9.3765 9.3779 9.3779 10.2068 10.2068 k =-0.4000 0.4482 0.6059 ( 3832 PWs) bands (ev): -41.2834 -41.2834 -41.2834 -41.2834 -41.0732 -41.0732 -41.0732 -41.0732 -9.7574 -9.7574 -9.7572 -9.7572 -9.7033 -9.7033 -9.7028 -9.7028 -9.3069 -9.3069 -9.3048 -9.3048 -9.2337 -9.2337 -9.2328 -9.2328 -9.1587 -9.1587 -9.1579 -9.1579 -1.0289 -1.0289 -1.0284 -1.0284 2.4296 2.4296 2.4343 2.4343 4.3131 4.3131 4.3191 4.3191 9.3349 9.3349 9.3367 9.3367 10.1887 10.1887 k =-0.4071 0.4333 0.6059 ( 3832 PWs) bands (ev): -41.2834 -41.2834 -41.2834 -41.2834 -41.0732 -41.0732 -41.0732 -41.0732 -9.7574 -9.7574 -9.7573 -9.7573 -9.7033 -9.7033 -9.7028 -9.7028 -9.3068 -9.3068 -9.3048 -9.3048 -9.2338 -9.2338 -9.2329 -9.2329 -9.1588 -9.1588 -9.1580 -9.1580 -1.0417 -1.0417 -1.0413 -1.0413 2.4088 2.4088 2.4130 2.4130 4.4153 4.4153 4.4209 4.4209 9.2418 9.2418 9.2438 9.2438 10.2274 10.2274 k =-0.4143 0.4183 0.6059 ( 3828 PWs) bands (ev): -41.2834 -41.2834 -41.2834 -41.2834 -41.0732 -41.0732 -41.0732 -41.0732 -9.7574 -9.7574 -9.7573 -9.7573 -9.7033 -9.7033 -9.7028 -9.7028 -9.3067 -9.3067 -9.3048 -9.3048 -9.2338 -9.2338 -9.2330 -9.2330 -9.1588 -9.1588 -9.1581 -9.1581 -1.0541 -1.0541 -1.0537 -1.0537 2.3894 2.3894 2.3933 2.3933 4.5191 4.5191 4.5244 4.5244 9.1162 9.1162 9.1182 9.1182 10.3050 10.3050 k =-0.4214 0.4034 0.6059 ( 3824 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7574 -9.7574 -9.7573 -9.7573 -9.7033 -9.7033 -9.7028 -9.7028 -9.3067 -9.3067 -9.3049 -9.3049 -9.2338 -9.2338 -9.2330 -9.2330 -9.1589 -9.1589 -9.1582 -9.1582 -1.0658 -1.0658 -1.0654 -1.0654 2.3716 2.3716 2.3751 2.3751 4.6240 4.6240 4.6289 4.6289 8.9746 8.9746 8.9766 8.9766 10.4061 10.4061 k =-0.4286 0.3884 0.6059 ( 3824 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7575 -9.7575 -9.7573 -9.7573 -9.7033 -9.7033 -9.7029 -9.7029 -9.3066 -9.3066 -9.3050 -9.3050 -9.2339 -9.2339 -9.2331 -9.2331 -9.1589 -9.1589 -9.1583 -9.1583 -1.0768 -1.0768 -1.0765 -1.0765 2.3553 2.3553 2.3585 2.3585 4.7291 4.7291 4.7336 4.7336 8.8271 8.8271 8.8289 8.8289 10.5214 10.5214 k =-0.4357 0.3735 0.6059 ( 3832 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7575 -9.7575 -9.7574 -9.7574 -9.7034 -9.7034 -9.7029 -9.7029 -9.3065 -9.3065 -9.3050 -9.3050 -9.2340 -9.2340 -9.2333 -9.2333 -9.1590 -9.1590 -9.1584 -9.1584 -1.0870 -1.0870 -1.0867 -1.0867 2.3406 2.3406 2.3434 2.3434 4.8334 4.8334 4.8376 4.8376 8.6794 8.6794 8.6811 8.6811 10.6460 10.6460 k =-0.4429 0.3586 0.6059 ( 3832 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7575 -9.7575 -9.7574 -9.7574 -9.7034 -9.7034 -9.7030 -9.7030 -9.3065 -9.3065 -9.3051 -9.3051 -9.2340 -9.2340 -9.2334 -9.2334 -9.1590 -9.1590 -9.1585 -9.1585 -1.0963 -1.0963 -1.0961 -1.0961 2.3274 2.3274 2.3298 2.3298 4.9359 4.9359 4.9397 4.9397 8.5354 8.5354 8.5370 8.5370 10.7770 10.7770 k =-0.4500 0.3436 0.6059 ( 3824 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7575 -9.7575 -9.7574 -9.7574 -9.7033 -9.7033 -9.7030 -9.7030 -9.3063 -9.3063 -9.3052 -9.3052 -9.2340 -9.2340 -9.2334 -9.2334 -9.1590 -9.1590 -9.1586 -9.1586 -1.1047 -1.1047 -1.1045 -1.1045 2.3158 2.3158 2.3179 2.3179 5.0350 5.0350 5.0385 5.0385 8.3981 8.3981 8.3995 8.3995 10.9129 10.9129 k =-0.4571 0.3287 0.6059 ( 3820 PWs) bands (ev): -41.2835 -41.2835 -41.2835 -41.2835 -41.0731 -41.0731 -41.0731 -41.0731 -9.7575 -9.7575 -9.7574 -9.7574 -9.7033 -9.7033 -9.7030 -9.7030 -9.3063 -9.3063 -9.3052 -9.3052 -9.2340 -9.2340 -9.2335 -9.2335 -9.1590 -9.1590 -9.1586 -9.1586 -1.1121 -1.1121 -1.1119 -1.1119 2.3057 2.3057 2.3075 2.3075 5.1290 5.1290 5.1321 5.1321 8.2700 8.2700 8.2713 8.2713 11.0526 11.0526 k =-0.4643 0.3137 0.6059 ( 3814 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0731 -41.0731 -41.0731 -41.0731 -9.7575 -9.7575 -9.7574 -9.7574 -9.7032 -9.7032 -9.7030 -9.7030 -9.3061 -9.3061 -9.3053 -9.3053 -9.2339 -9.2339 -9.2335 -9.2335 -9.1590 -9.1590 -9.1587 -9.1587 -1.1184 -1.1184 -1.1183 -1.1183 2.2972 2.2972 2.2986 2.2986 5.2159 5.2159 5.2185 5.2185 8.1538 8.1538 8.1550 8.1550 11.1955 11.1955 k =-0.4714 0.2988 0.6059 ( 3810 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7032 -9.7032 -9.7030 -9.7030 -9.3060 -9.3060 -9.3054 -9.3054 -9.2339 -9.2339 -9.2336 -9.2336 -9.1590 -9.1590 -9.1587 -9.1587 -1.1237 -1.1237 -1.1235 -1.1235 2.2902 2.2902 2.2914 2.2914 5.2930 5.2930 5.2951 5.2951 8.0525 8.0525 8.0536 8.0536 11.3408 11.3409 k =-0.4786 0.2839 0.6059 ( 3810 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7032 -9.7032 -9.7031 -9.7031 -9.3059 -9.3059 -9.3054 -9.3054 -9.2339 -9.2339 -9.2337 -9.2337 -9.1590 -9.1590 -9.1588 -9.1588 -1.1278 -1.1278 -1.1277 -1.1277 2.2848 2.2848 2.2857 2.2857 5.3575 5.3575 5.3592 5.3592 7.9691 7.9691 7.9699 7.9699 11.4879 11.4880 k =-0.4857 0.2689 0.6059 ( 3810 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7032 -9.7032 -9.7031 -9.7031 -9.3058 -9.3058 -9.3055 -9.3055 -9.2339 -9.2339 -9.2337 -9.2337 -9.1590 -9.1590 -9.1588 -9.1588 -1.1307 -1.1307 -1.1306 -1.1306 2.2810 2.2810 2.2816 2.2816 5.4065 5.4065 5.4077 5.4077 7.9066 7.9066 7.9072 7.9072 11.6353 11.6363 k =-0.4929 0.2540 0.6059 ( 3808 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7032 -9.7032 -9.7031 -9.7031 -9.3058 -9.3058 -9.3056 -9.3056 -9.2338 -9.2338 -9.2338 -9.2338 -9.1589 -9.1589 -9.1589 -9.1589 -1.1325 -1.1325 -1.1324 -1.1324 2.2788 2.2788 2.2791 2.2791 5.4373 5.4373 5.4379 5.4379 7.8679 7.8679 7.8682 7.8682 11.7642 11.7646 k =-0.5000 0.2390 0.6059 ( 3816 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7575 -9.7575 -9.7575 -9.7575 -9.7032 -9.7032 -9.7032 -9.7032 -9.3057 -9.3057 -9.3057 -9.3057 -9.2339 -9.2339 -9.2339 -9.2339 -9.1589 -9.1589 -9.1589 -9.1589 -1.1330 -1.1330 -1.1330 -1.1330 2.2782 2.2782 2.2782 2.2782 5.4480 5.4480 5.4480 5.4480 7.8548 7.8548 7.8548 7.8548 11.7981 11.7981 k =-0.5000 0.2390 0.6059 ( 3816 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7575 -9.7575 -9.7575 -9.7575 -9.7032 -9.7032 -9.7032 -9.7032 -9.3057 -9.3057 -9.3057 -9.3057 -9.2339 -9.2339 -9.2339 -9.2339 -9.1589 -9.1589 -9.1589 -9.1589 -1.1330 -1.1330 -1.1330 -1.1330 2.2782 2.2782 2.2782 2.2782 5.4480 5.4480 5.4480 5.4480 7.8548 7.8548 7.8548 7.8548 11.7981 11.7981 k =-0.5000 0.2390 0.5891 ( 3812 PWs) bands (ev): -41.2839 -41.2839 -41.2832 -41.2832 -41.0732 -41.0732 -41.0729 -41.0729 -9.7585 -9.7585 -9.7564 -9.7564 -9.7037 -9.7037 -9.7026 -9.7026 -9.3061 -9.3061 -9.3052 -9.3052 -9.2348 -9.2348 -9.2329 -9.2329 -9.1609 -9.1609 -9.1570 -9.1570 -1.2183 -1.2183 -1.0473 -1.0473 2.2156 2.2156 2.3456 2.3456 5.3402 5.3402 5.5586 5.5586 7.8010 7.8010 7.9103 7.9103 11.6931 11.6931 k =-0.5000 0.2390 0.5722 ( 3816 PWs) bands (ev): -41.2843 -41.2843 -41.2829 -41.2829 -41.0733 -41.0733 -41.0727 -41.0727 -9.7596 -9.7596 -9.7553 -9.7553 -9.7043 -9.7043 -9.7021 -9.7021 -9.3065 -9.3065 -9.3048 -9.3048 -9.2356 -9.2356 -9.2320 -9.2320 -9.1630 -9.1630 -9.1552 -9.1552 -1.3026 -1.3026 -0.9613 -0.9613 2.1582 2.1582 2.4175 2.4175 5.2350 5.2350 5.6718 5.6718 7.7490 7.7490 7.9676 7.9676 11.5858 11.5858 k =-0.5000 0.2390 0.5554 ( 3822 PWs) bands (ev): -41.2847 -41.2847 -41.2825 -41.2825 -41.0735 -41.0735 -41.0726 -41.0726 -9.7606 -9.7606 -9.7541 -9.7541 -9.7049 -9.7049 -9.7016 -9.7016 -9.3070 -9.3070 -9.3044 -9.3044 -9.2365 -9.2365 -9.2311 -9.2311 -9.1651 -9.1651 -9.1535 -9.1535 -1.3858 -1.3858 -0.8757 -0.8757 2.1064 2.1064 2.4937 2.4937 5.1327 5.1327 5.7876 5.7876 7.6988 7.6988 8.0267 8.0267 11.4778 11.4778 k =-0.5000 0.2390 0.5386 ( 3810 PWs) bands (ev): -41.2851 -41.2851 -41.2821 -41.2821 -41.0736 -41.0736 -41.0724 -41.0724 -9.7616 -9.7616 -9.7530 -9.7530 -9.7053 -9.7053 -9.7010 -9.7010 -9.3073 -9.3073 -9.3039 -9.3039 -9.2373 -9.2373 -9.2302 -9.2302 -9.1672 -9.1672 -9.1518 -9.1518 -1.4677 -1.4677 -0.7907 -0.7907 2.0608 2.0608 2.5739 2.5739 5.0331 5.0331 5.9059 5.9059 7.6502 7.6502 8.0875 8.0875 11.3699 11.3699 k =-0.5000 0.2390 0.5217 ( 3810 PWs) bands (ev): -41.2854 -41.2854 -41.2818 -41.2818 -41.0737 -41.0737 -41.0723 -41.0723 -9.7625 -9.7625 -9.7518 -9.7518 -9.7058 -9.7058 -9.7005 -9.7005 -9.3076 -9.3076 -9.3035 -9.3035 -9.2380 -9.2380 -9.2293 -9.2293 -9.1693 -9.1693 -9.1502 -9.1502 -1.5480 -1.5480 -0.7071 -0.7071 2.0217 2.0217 2.6579 2.6579 4.9363 4.9363 6.0268 6.0268 7.6034 7.6034 8.1501 8.1501 11.2622 11.2622 k =-0.5000 0.2390 0.5049 ( 3816 PWs) bands (ev): -41.2858 -41.2858 -41.2815 -41.2815 -41.0739 -41.0739 -41.0721 -41.0721 -9.7635 -9.7635 -9.7507 -9.7507 -9.7063 -9.7063 -9.7001 -9.7001 -9.3080 -9.3080 -9.3032 -9.3032 -9.2386 -9.2386 -9.2285 -9.2285 -9.1715 -9.1715 -9.1489 -9.1489 -1.6266 -1.6266 -0.6254 -0.6254 1.9899 1.9899 2.7455 2.7455 4.8424 4.8424 6.1501 6.1501 7.5583 7.5583 8.2144 8.2144 11.1548 11.1548 k =-0.5000 0.2390 0.4881 ( 3816 PWs) bands (ev): -41.2862 -41.2862 -41.2811 -41.2811 -41.0740 -41.0740 -41.0720 -41.0720 -9.7643 -9.7643 -9.7496 -9.7496 -9.7068 -9.7068 -9.6996 -9.6996 -9.3082 -9.3082 -9.3029 -9.3029 -9.2392 -9.2392 -9.2277 -9.2277 -9.1736 -9.1736 -9.1476 -9.1476 -1.7033 -1.7033 -0.5464 -0.5464 1.9660 1.9660 2.8367 2.8367 4.7513 4.7513 6.2757 6.2757 7.5149 7.5149 8.2805 8.2805 11.0475 11.0475 k =-0.5000 0.2390 0.4712 ( 3816 PWs) bands (ev): -41.2865 -41.2865 -41.2808 -41.2808 -41.0741 -41.0741 -41.0718 -41.0718 -9.7651 -9.7651 -9.7485 -9.7485 -9.7073 -9.7073 -9.6992 -9.6992 -9.3085 -9.3085 -9.3026 -9.3026 -9.2396 -9.2396 -9.2270 -9.2270 -9.1756 -9.1756 -9.1465 -9.1465 -1.7780 -1.7780 -0.4708 -0.4708 1.9508 1.9508 2.9312 2.9312 4.6631 4.6631 6.4036 6.4036 7.4732 7.4732 8.3482 8.3482 10.9401 10.9401 k =-0.5000 0.2390 0.4544 ( 3824 PWs) bands (ev): -41.2869 -41.2869 -41.2805 -41.2805 -41.0742 -41.0742 -41.0716 -41.0716 -9.7660 -9.7660 -9.7474 -9.7474 -9.7078 -9.7078 -9.6988 -9.6988 -9.3087 -9.3087 -9.3024 -9.3024 -9.2400 -9.2400 -9.2264 -9.2264 -9.1777 -9.1777 -9.1455 -9.1455 -1.8505 -1.8505 -0.3993 -0.3993 1.9451 1.9451 3.0290 3.0290 4.5779 4.5779 6.5338 6.5338 7.4331 7.4331 8.4176 8.4176 10.8323 10.8323 k =-0.5000 0.2390 0.4376 ( 3816 PWs) bands (ev): -41.2872 -41.2872 -41.2802 -41.2802 -41.0744 -41.0744 -41.0715 -41.0715 -9.7666 -9.7666 -9.7463 -9.7463 -9.7082 -9.7082 -9.6985 -9.6985 -9.3088 -9.3088 -9.3022 -9.3022 -9.2402 -9.2402 -9.2259 -9.2259 -9.1796 -9.1796 -9.1445 -9.1445 -1.9209 -1.9209 -0.3329 -0.3329 1.9495 1.9495 3.1299 3.1299 4.4956 4.4956 6.6660 6.6660 7.3946 7.3946 8.4887 8.4887 10.7237 10.7237 k =-0.5000 0.2390 0.4208 ( 3812 PWs) bands (ev): -41.2876 -41.2876 -41.2799 -41.2799 -41.0745 -41.0745 -41.0713 -41.0713 -9.7672 -9.7672 -9.7451 -9.7451 -9.7086 -9.7086 -9.6982 -9.6982 -9.3090 -9.3090 -9.3021 -9.3021 -9.2402 -9.2402 -9.2254 -9.2254 -9.1814 -9.1814 -9.1438 -9.1438 -1.9890 -1.9890 -0.2721 -0.2721 1.9648 1.9648 3.2339 3.2339 4.4162 4.4162 6.8002 6.8002 7.3577 7.3577 8.5613 8.5613 10.6139 10.6139 k =-0.5000 0.2390 0.4039 ( 3824 PWs) bands (ev): -41.2879 -41.2879 -41.2796 -41.2796 -41.0746 -41.0746 -41.0712 -41.0712 -9.7678 -9.7678 -9.7441 -9.7441 -9.7091 -9.7091 -9.6980 -9.6980 -9.3092 -9.3092 -9.3022 -9.3022 -9.2402 -9.2402 -9.2251 -9.2251 -9.1831 -9.1831 -9.1433 -9.1433 -2.0547 -2.0547 -0.2176 -0.2176 1.9914 1.9914 3.3408 3.3408 4.3399 4.3399 6.9363 6.9363 7.3224 7.3224 8.6355 8.6355 10.5023 10.5023 k =-0.5000 0.2390 0.3871 ( 3828 PWs) bands (ev): -41.2883 -41.2883 -41.2793 -41.2793 -41.0747 -41.0747 -41.0710 -41.0710 -9.7683 -9.7683 -9.7431 -9.7431 -9.7095 -9.7095 -9.6979 -9.6979 -9.3093 -9.3093 -9.3023 -9.3023 -9.2400 -9.2400 -9.2248 -9.2248 -9.1847 -9.1847 -9.1429 -9.1429 -2.1180 -2.1180 -0.1698 -0.1698 2.0299 2.0299 3.4506 3.4506 4.2665 4.2665 7.0740 7.0740 7.2887 7.2887 8.7112 8.7112 10.3883 10.3883 k =-0.5000 0.2390 0.3703 ( 3826 PWs) bands (ev): -41.2886 -41.2886 -41.2790 -41.2790 -41.0748 -41.0748 -41.0709 -41.0709 -9.7687 -9.7687 -9.7420 -9.7420 -9.7099 -9.7099 -9.6978 -9.6978 -9.3094 -9.3094 -9.3024 -9.3024 -9.2396 -9.2396 -9.2247 -9.2247 -9.1861 -9.1861 -9.1426 -9.1426 -2.1788 -2.1788 -0.1289 -0.1289 2.0803 2.0803 3.5632 3.5632 4.1962 4.1962 7.2132 7.2132 7.2565 7.2565 8.7882 8.7882 10.2712 10.2712 k =-0.5000 0.2390 0.3534 ( 3826 PWs) bands (ev): -41.2889 -41.2889 -41.2787 -41.2787 -41.0749 -41.0749 -41.0707 -41.0707 -9.7691 -9.7691 -9.7410 -9.7410 -9.7103 -9.7103 -9.6978 -9.6978 -9.3095 -9.3095 -9.3026 -9.3026 -9.2391 -9.2391 -9.2246 -9.2246 -9.1874 -9.1874 -9.1426 -9.1426 -2.2372 -2.2372 -0.0948 -0.0948 2.1426 2.1426 3.6784 3.6784 4.1290 4.1290 7.2257 7.2257 7.3537 7.3537 8.8665 8.8665 10.1500 10.1500 k =-0.5000 0.2390 0.3366 ( 3832 PWs) bands (ev): -41.2893 -41.2893 -41.2785 -41.2785 -41.0750 -41.0750 -41.0706 -41.0706 -9.7694 -9.7694 -9.7400 -9.7400 -9.7107 -9.7107 -9.6978 -9.6978 -9.3096 -9.3096 -9.3029 -9.3029 -9.2385 -9.2385 -9.2248 -9.2248 -9.1884 -9.1884 -9.1427 -9.1427 -2.2929 -2.2929 -0.0673 -0.0673 2.2164 2.2164 3.7961 3.7961 4.0650 4.0650 7.1964 7.1964 7.4952 7.4952 8.9459 8.9459 10.0230 10.0230 k =-0.5000 0.2390 0.3198 ( 3830 PWs) bands (ev): -41.2896 -41.2896 -41.2782 -41.2782 -41.0751 -41.0751 -41.0705 -41.0705 -9.7696 -9.7696 -9.7389 -9.7389 -9.7110 -9.7110 -9.6980 -9.6980 -9.3098 -9.3098 -9.3032 -9.3032 -9.2378 -9.2378 -9.2249 -9.2249 -9.1892 -9.1892 -9.1429 -9.1429 -2.3461 -2.3461 -0.0460 -0.0460 2.3012 2.3012 3.9150 3.9150 4.0054 4.0054 7.1684 7.1684 7.6374 7.6374 9.0264 9.0264 9.8816 9.8816 k =-0.5000 0.2390 0.3029 ( 3834 PWs) bands (ev): -41.2898 -41.2898 -41.2780 -41.2780 -41.0751 -41.0751 -41.0703 -41.0703 -9.7698 -9.7698 -9.7379 -9.7379 -9.7113 -9.7113 -9.6982 -9.6982 -9.3099 -9.3099 -9.3035 -9.3035 -9.2371 -9.2371 -9.2251 -9.2251 -9.1899 -9.1899 -9.1433 -9.1433 -2.3967 -2.3967 -0.0301 -0.0301 2.3962 2.3962 3.9422 3.9422 4.0432 4.0432 7.1418 7.1418 7.7798 7.7798 9.1078 9.1078 9.6886 9.6886 k =-0.5000 0.2390 0.2861 ( 3834 PWs) bands (ev): -41.2901 -41.2901 -41.2778 -41.2778 -41.0752 -41.0752 -41.0702 -41.0702 -9.7699 -9.7699 -9.7369 -9.7369 -9.7116 -9.7116 -9.6985 -9.6985 -9.3102 -9.3102 -9.3037 -9.3037 -9.2364 -9.2364 -9.2253 -9.2253 -9.1903 -9.1903 -9.1439 -9.1439 -2.4446 -2.4446 -0.0191 -0.0191 2.5008 2.5008 3.8886 3.8886 4.1672 4.1672 7.1165 7.1165 7.9220 7.9220 9.1897 9.1897 9.4580 9.4580 k =-0.5000 0.2390 0.2693 ( 3844 PWs) bands (ev): -41.2904 -41.2904 -41.2776 -41.2776 -41.0753 -41.0753 -41.0701 -41.0701 -9.7700 -9.7700 -9.7360 -9.7360 -9.7120 -9.7120 -9.6989 -9.6989 -9.3105 -9.3105 -9.3040 -9.3040 -9.2357 -9.2357 -9.2256 -9.2256 -9.1906 -9.1906 -9.1446 -9.1446 -2.4899 -2.4899 -0.0122 -0.0122 2.6140 2.6140 3.8369 3.8369 4.2949 4.2949 7.0925 7.0925 8.0635 8.0635 9.2210 9.2210 9.2723 9.2723 k =-0.5000 0.2390 0.2525 ( 3836 PWs) bands (ev): -41.2907 -41.2907 -41.2774 -41.2774 -41.0753 -41.0753 -41.0700 -41.0700 -9.7700 -9.7700 -9.7349 -9.7349 -9.7122 -9.7122 -9.6993 -9.6993 -9.3108 -9.3108 -9.3041 -9.3041 -9.2351 -9.2351 -9.2256 -9.2256 -9.1906 -9.1906 -9.1455 -9.1455 -2.5325 -2.5325 -0.0087 -0.0087 2.7350 2.7350 3.7881 3.7881 4.4250 4.4250 7.0695 7.0695 8.2032 8.2032 8.9847 8.9847 9.3387 9.3387 k =-0.5000 0.2390 0.2356 ( 3830 PWs) bands (ev): -41.2909 -41.2909 -41.2772 -41.2772 -41.0754 -41.0754 -41.0699 -41.0699 -9.7699 -9.7699 -9.7338 -9.7338 -9.7125 -9.7125 -9.6998 -9.6998 -9.3112 -9.3112 -9.3042 -9.3042 -9.2348 -9.2348 -9.2254 -9.2254 -9.1904 -9.1904 -9.1464 -9.1464 -2.5723 -2.5723 -0.0080 -0.0080 2.8629 2.8629 3.7423 3.7423 4.5573 4.5573 7.0476 7.0476 8.3397 8.3397 8.7503 8.7503 9.2024 9.2024 k =-0.5000 0.2390 0.2188 ( 3830 PWs) bands (ev): -41.2911 -41.2911 -41.2770 -41.2770 -41.0755 -41.0755 -41.0698 -41.0698 -9.7698 -9.7698 -9.7328 -9.7328 -9.7127 -9.7127 -9.7005 -9.7005 -9.3117 -9.3117 -9.3042 -9.3042 -9.2346 -9.2346 -9.2250 -9.2250 -9.1901 -9.1901 -9.1476 -9.1476 -2.6095 -2.6095 -0.0093 -0.0093 2.9970 2.9970 3.6997 3.6997 4.6916 4.6916 7.0267 7.0267 8.4564 8.4564 8.5344 8.5344 9.0516 9.0516 k =-0.5000 0.2390 0.2020 ( 3830 PWs) bands (ev): -41.2913 -41.2913 -41.2769 -41.2769 -41.0755 -41.0755 -41.0697 -41.0697 -9.7697 -9.7697 -9.7317 -9.7317 -9.7130 -9.7130 -9.7011 -9.7011 -9.3122 -9.3122 -9.3042 -9.3042 -9.2348 -9.2348 -9.2244 -9.2244 -9.1896 -9.1896 -9.1489 -9.1489 -2.6440 -2.6440 -0.0123 -0.0123 3.1364 3.1364 3.6601 3.6601 4.8279 4.8279 7.0064 7.0064 8.2798 8.2798 8.6082 8.6082 8.9007 8.9007 k =-0.5000 0.2390 0.1851 ( 3842 PWs) bands (ev): -41.2915 -41.2915 -41.2767 -41.2767 -41.0756 -41.0756 -41.0696 -41.0696 -9.7696 -9.7696 -9.7307 -9.7307 -9.7132 -9.7132 -9.7019 -9.7019 -9.3128 -9.3128 -9.3042 -9.3042 -9.2352 -9.2352 -9.2237 -9.2237 -9.1889 -9.1889 -9.1503 -9.1503 -2.6757 -2.6757 -0.0164 -0.0164 3.2803 3.2803 3.6238 3.6238 4.9660 4.9660 6.9866 6.9866 8.0549 8.0549 8.6953 8.6953 8.7820 8.7820 k =-0.5000 0.2390 0.1683 ( 3846 PWs) bands (ev): -41.2917 -41.2917 -41.2766 -41.2766 -41.0756 -41.0756 -41.0695 -41.0695 -9.7695 -9.7695 -9.7297 -9.7297 -9.7134 -9.7134 -9.7028 -9.7028 -9.3133 -9.3133 -9.3041 -9.3041 -9.2356 -9.2356 -9.2229 -9.2229 -9.1881 -9.1881 -9.1518 -9.1518 -2.7047 -2.7047 -0.0213 -0.0213 3.4274 3.4274 3.5910 3.5910 5.1056 5.1056 6.9670 6.9670 7.8329 7.8329 8.5766 8.5766 8.8631 8.8631 k =-0.5000 0.2390 0.1515 ( 3844 PWs) bands (ev): -41.2919 -41.2919 -41.2765 -41.2765 -41.0756 -41.0756 -41.0694 -41.0694 -9.7693 -9.7693 -9.7286 -9.7286 -9.7136 -9.7136 -9.7036 -9.7036 -9.3138 -9.3138 -9.3041 -9.3041 -9.2361 -9.2361 -9.2220 -9.2220 -9.1871 -9.1871 -9.1534 -9.1534 -2.7309 -2.7309 -0.0265 -0.0265 3.5541 3.5541 3.5844 3.5844 5.2465 5.2465 6.9471 6.9471 7.6157 7.6157 8.4254 8.4254 8.9694 8.9694 k =-0.5000 0.2390 0.1346 ( 3852 PWs) bands (ev): -41.2921 -41.2921 -41.2763 -41.2763 -41.0757 -41.0757 -41.0693 -41.0693 -9.7692 -9.7692 -9.7275 -9.7275 -9.7138 -9.7138 -9.7046 -9.7046 -9.3143 -9.3143 -9.3040 -9.3040 -9.2367 -9.2367 -9.2211 -9.2211 -9.1860 -9.1860 -9.1551 -9.1551 -2.7544 -2.7544 -0.0319 -0.0319 3.5322 3.5322 3.7311 3.7311 5.3884 5.3884 6.9263 6.9263 7.4044 7.4044 8.2744 8.2744 9.0677 9.0677 k =-0.5000 0.2390 0.1178 ( 3848 PWs) bands (ev): -41.2922 -41.2922 -41.2762 -41.2762 -41.0757 -41.0757 -41.0693 -41.0693 -9.7690 -9.7690 -9.7264 -9.7264 -9.7140 -9.7140 -9.7055 -9.7055 -9.3148 -9.3148 -9.3039 -9.3039 -9.2372 -9.2372 -9.2202 -9.2202 -9.1847 -9.1847 -9.1569 -9.1569 -2.7752 -2.7752 -0.0371 -0.0371 3.5087 3.5087 3.8825 3.8825 5.5308 5.5308 6.9035 6.9035 7.2005 7.2005 8.1272 8.1272 9.1552 9.1552 k =-0.5000 0.2390 0.1010 ( 3848 PWs) bands (ev): -41.2923 -41.2923 -41.2762 -41.2762 -41.0757 -41.0757 -41.0692 -41.0692 -9.7688 -9.7688 -9.7253 -9.7253 -9.7142 -9.7142 -9.7064 -9.7064 -9.3152 -9.3152 -9.3038 -9.3038 -9.2377 -9.2377 -9.2195 -9.2195 -9.1833 -9.1833 -9.1587 -9.1587 -2.7932 -2.7932 -0.0420 -0.0420 3.4882 3.4882 4.0322 4.0322 5.6731 5.6731 6.8773 6.8773 7.0057 7.0057 7.9863 7.9863 9.2305 9.2305 k =-0.5000 0.2390 0.0842 ( 3852 PWs) bands (ev): -41.2924 -41.2924 -41.2761 -41.2761 -41.0758 -41.0758 -41.0692 -41.0692 -9.7687 -9.7687 -9.7243 -9.7243 -9.7144 -9.7144 -9.7074 -9.7074 -9.3155 -9.3155 -9.3037 -9.3037 -9.2381 -9.2381 -9.2188 -9.2188 -9.1818 -9.1818 -9.1606 -9.1606 -2.8084 -2.8084 -0.0464 -0.0464 3.4707 3.4707 4.1772 4.1772 5.8146 5.8146 6.8227 6.8227 6.8458 6.8458 7.8549 7.8549 9.2931 9.2931 k =-0.5000 0.2390 0.0673 ( 3850 PWs) bands (ev): -41.2925 -41.2925 -41.2760 -41.2760 -41.0758 -41.0758 -41.0691 -41.0691 -9.7685 -9.7685 -9.7232 -9.7232 -9.7147 -9.7147 -9.7082 -9.7082 -9.3158 -9.3158 -9.3037 -9.3037 -9.2385 -9.2385 -9.2183 -9.2183 -9.1802 -9.1802 -9.1624 -9.1624 -2.8208 -2.8208 -0.0501 -0.0501 3.4564 3.4564 4.3135 4.3135 5.9539 5.9539 6.6555 6.6555 6.8061 6.8061 7.7373 7.7373 9.3430 9.3430 k =-0.5000 0.2390 0.0505 ( 3848 PWs) bands (ev): -41.2926 -41.2926 -41.2760 -41.2760 -41.0758 -41.0758 -41.0691 -41.0691 -9.7684 -9.7684 -9.7222 -9.7222 -9.7149 -9.7149 -9.7089 -9.7089 -9.3161 -9.3161 -9.3036 -9.3036 -9.2388 -9.2388 -9.2178 -9.2178 -9.1786 -9.1786 -9.1642 -9.1642 -2.8305 -2.8305 -0.0532 -0.0532 3.4453 3.4453 4.4352 4.4352 6.0892 6.0892 6.5099 6.5099 6.7555 6.7555 7.6385 7.6385 9.3807 9.3807 k =-0.5000 0.2390 0.0337 ( 3852 PWs) bands (ev): -41.2926 -41.2926 -41.2760 -41.2760 -41.0758 -41.0758 -41.0691 -41.0691 -9.7684 -9.7684 -9.7214 -9.7214 -9.7152 -9.7152 -9.7095 -9.7095 -9.3162 -9.3162 -9.3036 -9.3036 -9.2390 -9.2390 -9.2175 -9.2175 -9.1772 -9.1772 -9.1659 -9.1659 -2.8375 -2.8375 -0.0554 -0.0554 3.4373 3.4373 4.5341 4.5341 6.2167 6.2167 6.3943 6.3943 6.6923 6.6923 7.5637 7.5637 9.4069 9.4069 k =-0.5000 0.2390 0.0168 ( 3856 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7208 -9.7208 -9.7155 -9.7155 -9.7100 -9.7100 -9.3163 -9.3163 -9.3036 -9.3036 -9.2392 -9.2392 -9.2174 -9.2174 -9.1759 -9.1759 -9.1673 -9.1673 -2.8416 -2.8416 -0.0567 -0.0567 3.4326 3.4326 4.6000 4.6000 6.3108 6.3108 6.3352 6.3352 6.6216 6.6216 7.5172 7.5172 9.4223 9.4223 k =-0.5000 0.2390 0.0000 ( 3858 PWs) bands (ev): -41.2926 -41.2926 -41.2759 -41.2759 -41.0758 -41.0758 -41.0691 -41.0691 -9.7683 -9.7683 -9.7206 -9.7206 -9.7156 -9.7156 -9.7101 -9.7101 -9.3163 -9.3163 -9.3036 -9.3036 -9.2392 -9.2392 -9.2173 -9.2173 -9.1755 -9.1755 -9.1678 -9.1678 -2.8430 -2.8430 -0.0572 -0.0572 3.4310 3.4310 4.6233 4.6233 6.2895 6.2895 6.3863 6.3863 6.5786 6.5786 7.5015 7.5015 9.4273 9.4273 k = 0.0000 0.0000 0.6059 ( 3822 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7061 -9.7061 -9.7061 -9.7061 -9.3068 -9.3068 -9.3068 -9.3068 -9.2336 -9.2336 -9.2336 -9.2336 -9.1573 -9.1573 -9.1573 -9.1573 -1.4846 -1.4846 -1.4846 -1.4846 4.4441 4.4441 4.4441 4.4441 6.2211 6.2211 6.2211 6.2211 6.4298 6.4298 6.4298 6.4298 8.1509 8.1509 k =-0.0152 0.0072 0.6059 ( 3820 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7061 -9.7061 -9.7061 -9.7061 -9.3068 -9.3068 -9.3068 -9.3068 -9.2337 -9.2337 -9.2337 -9.2337 -9.1573 -9.1573 -9.1573 -9.1573 -1.4839 -1.4839 -1.4839 -1.4839 4.4325 4.4325 4.4325 4.4325 6.2347 6.2347 6.2347 6.2347 6.4254 6.4254 6.4254 6.4254 8.1584 8.1584 k =-0.0303 0.0145 0.6059 ( 3818 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7566 -9.7566 -9.7566 -9.7566 -9.7060 -9.7060 -9.7060 -9.7060 -9.3068 -9.3068 -9.3068 -9.3068 -9.2337 -9.2337 -9.2337 -9.2337 -9.1573 -9.1573 -9.1573 -9.1573 -1.4819 -1.4819 -1.4819 -1.4819 4.3987 4.3987 4.3987 4.3987 6.2742 6.2742 6.2742 6.2742 6.4127 6.4127 6.4127 6.4127 8.1804 8.1804 k =-0.0455 0.0217 0.6059 ( 3822 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7060 -9.7060 -9.7060 -9.7060 -9.3068 -9.3068 -9.3068 -9.3068 -9.2337 -9.2337 -9.2337 -9.2337 -9.1573 -9.1573 -9.1573 -9.1573 -1.4787 -1.4787 -1.4787 -1.4787 4.3456 4.3456 4.3456 4.3456 6.3344 6.3344 6.3344 6.3344 6.3946 6.3946 6.3946 6.3946 8.2048 8.2048 k =-0.0606 0.0290 0.6059 ( 3814 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7566 -9.7566 -9.7566 -9.7566 -9.7060 -9.7060 -9.7060 -9.7060 -9.3067 -9.3067 -9.3067 -9.3067 -9.2337 -9.2337 -9.2337 -9.2337 -9.1573 -9.1573 -9.1573 -9.1573 -1.4741 -1.4741 -1.4741 -1.4741 4.2769 4.2769 4.2769 4.2769 6.3560 6.3560 6.3560 6.3560 6.4275 6.4275 6.4275 6.4275 8.2098 8.2098 k =-0.0758 0.0362 0.6059 ( 3816 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7059 -9.7059 -9.7059 -9.7059 -9.3067 -9.3067 -9.3067 -9.3067 -9.2337 -9.2337 -9.2337 -9.2337 -9.1574 -9.1574 -9.1574 -9.1574 -1.4682 -1.4682 -1.4682 -1.4682 4.1963 4.1963 4.1963 4.1963 6.3245 6.3245 6.3245 6.3245 6.5229 6.5229 6.5229 6.5229 8.2165 8.2165 k =-0.0909 0.0435 0.6059 ( 3828 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7059 -9.7059 -9.7059 -9.7059 -9.3067 -9.3067 -9.3067 -9.3067 -9.2337 -9.2337 -9.2337 -9.2337 -9.1574 -9.1574 -9.1574 -9.1574 -1.4612 -1.4612 -1.4612 -1.4612 4.1072 4.1072 4.1072 4.1072 6.2860 6.2860 6.2860 6.2860 6.6322 6.6322 6.6322 6.6322 8.2256 8.2256 k =-0.1061 0.0507 0.6059 ( 3824 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7567 -9.7567 -9.7567 -9.7567 -9.7058 -9.7058 -9.7058 -9.7058 -9.3067 -9.3067 -9.3067 -9.3067 -9.2337 -9.2337 -9.2337 -9.2337 -9.1575 -9.1575 -9.1575 -9.1575 -1.4529 -1.4529 -1.4529 -1.4529 4.0122 4.0122 4.0122 4.0122 6.2436 6.2436 6.2436 6.2436 6.7502 6.7502 6.7502 6.7502 8.2378 8.2378 k =-0.1212 0.0580 0.6059 ( 3824 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7568 -9.7568 -9.7568 -9.7568 -9.7057 -9.7057 -9.7057 -9.7057 -9.3066 -9.3066 -9.3066 -9.3066 -9.2337 -9.2337 -9.2337 -9.2337 -9.1575 -9.1575 -9.1575 -9.1575 -1.4434 -1.4434 -1.4434 -1.4434 3.9135 3.9135 3.9135 3.9135 6.1984 6.1984 6.1984 6.1984 6.8735 6.8735 6.8735 6.8735 8.2541 8.2541 k =-0.1364 0.0652 0.6059 ( 3812 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7568 -9.7568 -9.7568 -9.7568 -9.7055 -9.7055 -9.7055 -9.7055 -9.3065 -9.3065 -9.3065 -9.3065 -9.2337 -9.2337 -9.2337 -9.2337 -9.1575 -9.1575 -9.1575 -9.1575 -1.4329 -1.4329 -1.4329 -1.4329 3.8127 3.8127 3.8127 3.8127 6.1516 6.1516 6.1516 6.1516 6.9992 6.9992 6.9992 6.9992 8.2758 8.2758 k =-0.1515 0.0724 0.6059 ( 3812 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7568 -9.7568 -9.7568 -9.7568 -9.7054 -9.7054 -9.7054 -9.7054 -9.3065 -9.3065 -9.3065 -9.3065 -9.2337 -9.2337 -9.2337 -9.2337 -9.1576 -9.1576 -9.1576 -9.1576 -1.4213 -1.4213 -1.4213 -1.4213 3.7110 3.7110 3.7110 3.7110 6.1039 6.1039 6.1039 6.1039 7.1241 7.1241 7.1241 7.1241 8.3048 8.3048 k =-0.1667 0.0797 0.6059 ( 3812 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7568 -9.7568 -9.7568 -9.7568 -9.7053 -9.7053 -9.7053 -9.7053 -9.3065 -9.3065 -9.3065 -9.3065 -9.2337 -9.2337 -9.2337 -9.2337 -9.1577 -9.1577 -9.1577 -9.1577 -1.4088 -1.4088 -1.4088 -1.4088 3.6095 3.6095 3.6095 3.6095 6.0559 6.0559 6.0559 6.0559 7.2449 7.2449 7.2449 7.2449 8.3436 8.3436 k =-0.1818 0.0869 0.6059 ( 3814 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7569 -9.7569 -9.7569 -9.7569 -9.7052 -9.7052 -9.7052 -9.7052 -9.3064 -9.3064 -9.3064 -9.3064 -9.2337 -9.2337 -9.2337 -9.2337 -9.1577 -9.1577 -9.1577 -9.1577 -1.3953 -1.3953 -1.3953 -1.3953 3.5089 3.5089 3.5089 3.5089 6.0082 6.0082 6.0082 6.0082 7.3581 7.3581 7.3581 7.3581 8.3949 8.3949 k =-0.1970 0.0942 0.6059 ( 3814 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7569 -9.7569 -9.7569 -9.7569 -9.7051 -9.7051 -9.7051 -9.7051 -9.3064 -9.3064 -9.3064 -9.3064 -9.2337 -9.2337 -9.2337 -9.2337 -9.1578 -9.1578 -9.1578 -9.1578 -1.3810 -1.3810 -1.3810 -1.3810 3.4098 3.4098 3.4098 3.4098 5.9611 5.9611 5.9611 5.9611 7.4600 7.4600 7.4600 7.4600 8.4618 8.4618 k =-0.2121 0.1014 0.6059 ( 3826 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7570 -9.7570 -9.7570 -9.7570 -9.7050 -9.7050 -9.7050 -9.7050 -9.3064 -9.3064 -9.3064 -9.3064 -9.2338 -9.2338 -9.2338 -9.2338 -9.1579 -9.1579 -9.1579 -9.1579 -1.3660 -1.3660 -1.3660 -1.3660 3.3128 3.3128 3.3128 3.3128 5.9151 5.9151 5.9151 5.9151 7.5477 7.5477 7.5477 7.5477 8.5467 8.5467 k =-0.2273 0.1087 0.6059 ( 3826 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0729 -41.0729 -41.0729 -41.0729 -9.7570 -9.7570 -9.7570 -9.7570 -9.7049 -9.7049 -9.7049 -9.7049 -9.3063 -9.3063 -9.3063 -9.3063 -9.2338 -9.2338 -9.2338 -9.2338 -9.1580 -9.1580 -9.1580 -9.1580 -1.3504 -1.3504 -1.3504 -1.3504 3.2183 3.2183 3.2183 3.2183 5.8705 5.8705 5.8705 5.8705 7.6200 7.6200 7.6200 7.6200 8.6505 8.6505 k =-0.2424 0.1159 0.6059 ( 3818 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0730 -41.0730 -41.0730 -41.0730 -9.7571 -9.7571 -9.7571 -9.7571 -9.7047 -9.7047 -9.7047 -9.7047 -9.3062 -9.3062 -9.3062 -9.3062 -9.2338 -9.2338 -9.2338 -9.2338 -9.1581 -9.1581 -9.1581 -9.1581 -1.3343 -1.3343 -1.3343 -1.3343 3.1267 3.1267 3.1267 3.1267 5.8274 5.8274 5.8274 5.8274 7.6772 7.6772 7.6772 7.6772 8.7725 8.7725 k =-0.2576 0.1231 0.6059 ( 3822 PWs) bands (ev): -41.2837 -41.2837 -41.2837 -41.2837 -41.0730 -41.0730 -41.0730 -41.0730 -9.7571 -9.7571 -9.7571 -9.7571 -9.7046 -9.7046 -9.7046 -9.7046 -9.3062 -9.3062 -9.3062 -9.3062 -9.2338 -9.2338 -9.2338 -9.2338 -9.1582 -9.1582 -9.1582 -9.1582 -1.3179 -1.3179 -1.3179 -1.3179 3.0384 3.0384 3.0384 3.0384 5.7861 5.7861 5.7861 5.7861 7.7214 7.7214 7.7214 7.7214 8.9105 8.9105 k =-0.2727 0.1304 0.6059 ( 3818 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7571 -9.7571 -9.7571 -9.7571 -9.7044 -9.7044 -9.7044 -9.7044 -9.3061 -9.3061 -9.3061 -9.3061 -9.2338 -9.2338 -9.2338 -9.2338 -9.1582 -9.1582 -9.1582 -9.1582 -1.3012 -1.3012 -1.3012 -1.3012 2.9536 2.9536 2.9536 2.9536 5.7467 5.7467 5.7467 5.7467 7.7549 7.7549 7.7549 7.7549 9.0618 9.0618 k =-0.2879 0.1376 0.6059 ( 3814 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7571 -9.7571 -9.7571 -9.7571 -9.7043 -9.7043 -9.7043 -9.7043 -9.3061 -9.3061 -9.3061 -9.3061 -9.2338 -9.2338 -9.2338 -9.2338 -9.1583 -9.1583 -9.1583 -9.1583 -1.2844 -1.2844 -1.2844 -1.2844 2.8726 2.8726 2.8726 2.8726 5.7095 5.7095 5.7095 5.7095 7.7801 7.7801 7.7801 7.7801 9.2237 9.2237 k =-0.3030 0.1449 0.6059 ( 3814 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7572 -9.7572 -9.7572 -9.7572 -9.7042 -9.7042 -9.7042 -9.7042 -9.3060 -9.3060 -9.3060 -9.3060 -9.2338 -9.2338 -9.2338 -9.2338 -9.1584 -9.1584 -9.1584 -9.1584 -1.2677 -1.2677 -1.2677 -1.2677 2.7958 2.7958 2.7958 2.7958 5.6744 5.6744 5.6744 5.6744 7.7992 7.7992 7.7992 7.7992 9.3941 9.3941 k =-0.3182 0.1521 0.6059 ( 3806 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7572 -9.7572 -9.7572 -9.7572 -9.7040 -9.7040 -9.7040 -9.7040 -9.3059 -9.3059 -9.3059 -9.3059 -9.2338 -9.2338 -9.2338 -9.2338 -9.1584 -9.1584 -9.1584 -9.1584 -1.2512 -1.2512 -1.2512 -1.2512 2.7234 2.7234 2.7234 2.7234 5.6416 5.6416 5.6416 5.6416 7.8135 7.8135 7.8135 7.8135 9.5712 9.5712 k =-0.3333 0.1594 0.6059 ( 3806 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7572 -9.7572 -9.7572 -9.7572 -9.7039 -9.7039 -9.7039 -9.7039 -9.3059 -9.3059 -9.3059 -9.3059 -9.2338 -9.2338 -9.2338 -9.2338 -9.1585 -9.1585 -9.1585 -9.1585 -1.2351 -1.2351 -1.2351 -1.2351 2.6555 2.6555 2.6555 2.6555 5.6112 5.6112 5.6112 5.6112 7.8243 7.8243 7.8243 7.8243 9.7535 9.7535 k =-0.3485 0.1666 0.6059 ( 3810 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7572 -9.7572 -9.7572 -9.7572 -9.7038 -9.7038 -9.7038 -9.7038 -9.3059 -9.3059 -9.3059 -9.3059 -9.2338 -9.2338 -9.2338 -9.2338 -9.1586 -9.1586 -9.1586 -9.1586 -1.2195 -1.2195 -1.2195 -1.2195 2.5926 2.5926 2.5926 2.5926 5.5833 5.5833 5.5833 5.5833 7.8325 7.8325 7.8325 7.8325 9.9400 9.9400 k =-0.3636 0.1739 0.6059 ( 3806 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7573 -9.7573 -9.7573 -9.7573 -9.7037 -9.7037 -9.7037 -9.7037 -9.3058 -9.3058 -9.3058 -9.3058 -9.2338 -9.2338 -9.2338 -9.2338 -9.1586 -9.1586 -9.1586 -9.1586 -1.2048 -1.2048 -1.2048 -1.2048 2.5348 2.5348 2.5348 2.5348 5.5579 5.5579 5.5579 5.5579 7.8387 7.8387 7.8387 7.8387 10.1297 10.1297 k =-0.3788 0.1811 0.6059 ( 3810 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7573 -9.7573 -9.7573 -9.7573 -9.7036 -9.7036 -9.7036 -9.7036 -9.3058 -9.3058 -9.3058 -9.3058 -9.2338 -9.2338 -9.2338 -9.2338 -9.1587 -9.1587 -9.1587 -9.1587 -1.1910 -1.1910 -1.1910 -1.1910 2.4824 2.4824 2.4824 2.4824 5.5350 5.5350 5.5350 5.5350 7.8433 7.8433 7.8433 7.8433 10.3220 10.3220 k =-0.3939 0.1883 0.6059 ( 3806 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7573 -9.7573 -9.7573 -9.7573 -9.7035 -9.7035 -9.7035 -9.7035 -9.3058 -9.3058 -9.3058 -9.3058 -9.2338 -9.2338 -9.2338 -9.2338 -9.1587 -9.1587 -9.1587 -9.1587 -1.1782 -1.1782 -1.1782 -1.1782 2.4355 2.4355 2.4355 2.4355 5.5148 5.5148 5.5148 5.5148 7.8468 7.8468 7.8468 7.8468 10.5162 10.5162 k =-0.4091 0.1956 0.6059 ( 3808 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7034 -9.7034 -9.7034 -9.7034 -9.3057 -9.3057 -9.3057 -9.3057 -9.2338 -9.2338 -9.2338 -9.2338 -9.1588 -9.1588 -9.1588 -9.1588 -1.1668 -1.1668 -1.1668 -1.1668 2.3944 2.3944 2.3944 2.3944 5.4971 5.4971 5.4971 5.4971 7.8494 7.8494 7.8494 7.8494 10.7115 10.7115 k =-0.4242 0.2028 0.6059 ( 3812 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7033 -9.7033 -9.7033 -9.7033 -9.3057 -9.3057 -9.3057 -9.3057 -9.2338 -9.2338 -9.2338 -9.2338 -9.1589 -9.1589 -9.1589 -9.1589 -1.1568 -1.1568 -1.1568 -1.1568 2.3593 2.3593 2.3593 2.3593 5.4822 5.4822 5.4822 5.4822 7.8513 7.8513 7.8513 7.8513 10.9075 10.9075 k =-0.4394 0.2101 0.6059 ( 3808 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7032 -9.7032 -9.7032 -9.7032 -9.3057 -9.3057 -9.3057 -9.3057 -9.2338 -9.2338 -9.2338 -9.2338 -9.1588 -9.1588 -9.1588 -9.1588 -1.1485 -1.1485 -1.1485 -1.1485 2.3303 2.3303 2.3303 2.3303 5.4699 5.4699 5.4699 5.4699 7.8527 7.8527 7.8527 7.8527 11.1032 11.1032 k =-0.4545 0.2173 0.6059 ( 3808 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7032 -9.7032 -9.7032 -9.7032 -9.3057 -9.3057 -9.3057 -9.3057 -9.2338 -9.2338 -9.2338 -9.2338 -9.1589 -9.1589 -9.1589 -9.1589 -1.1418 -1.1418 -1.1418 -1.1418 2.3076 2.3076 2.3076 2.3076 5.4604 5.4604 5.4604 5.4604 7.8537 7.8537 7.8537 7.8537 11.2979 11.2979 k =-0.4697 0.2246 0.6059 ( 3808 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7032 -9.7032 -9.7032 -9.7032 -9.3057 -9.3057 -9.3057 -9.3057 -9.2338 -9.2338 -9.2338 -9.2338 -9.1589 -9.1589 -9.1589 -9.1589 -1.1370 -1.1370 -1.1370 -1.1370 2.2913 2.2913 2.2913 2.2913 5.4535 5.4535 5.4535 5.4535 7.8543 7.8543 7.8543 7.8543 11.4897 11.4897 k =-0.4848 0.2318 0.6059 ( 3812 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7574 -9.7574 -9.7574 -9.7574 -9.7032 -9.7032 -9.7032 -9.7032 -9.3057 -9.3057 -9.3057 -9.3057 -9.2338 -9.2338 -9.2338 -9.2338 -9.1589 -9.1589 -9.1589 -9.1589 -1.1340 -1.1340 -1.1340 -1.1340 2.2814 2.2814 2.2814 2.2814 5.4494 5.4494 5.4494 5.4494 7.8547 7.8547 7.8547 7.8547 11.6739 11.6739 k =-0.5000 0.2390 0.6059 ( 3816 PWs) bands (ev): -41.2836 -41.2836 -41.2836 -41.2836 -41.0730 -41.0730 -41.0730 -41.0730 -9.7575 -9.7575 -9.7575 -9.7575 -9.7032 -9.7032 -9.7032 -9.7032 -9.3057 -9.3057 -9.3057 -9.3057 -9.2339 -9.2339 -9.2339 -9.2339 -9.1589 -9.1589 -9.1589 -9.1589 -1.1330 -1.1330 -1.1330 -1.1330 2.2782 2.2782 2.2782 2.2782 5.4480 5.4480 5.4480 5.4480 7.8548 7.8548 7.8548 7.8548 11.7981 11.7981 Writing output data file Li2Ga.save init_run : 4.42s CPU 14.12s WALL ( 1 calls) electrons : 650.06s CPU 657.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.69s WALL ( 1 calls) potinit : 0.54s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 650.04s CPU 657.16s WALL ( 1 calls) v_of_rho : 0.41s CPU 0.97s WALL ( 1 calls) v_h : 0.07s CPU 0.07s WALL ( 1 calls) v_xc : 0.35s CPU 0.61s WALL ( 1 calls) newd : 0.47s CPU 0.56s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 400 calls) cegterg : 566.55s CPU 570.68s WALL ( 941 calls) Called by sum_band: Called by *egterg: h_psi : 272.17s CPU 281.21s WALL ( 16140 calls) s_psi : 25.30s CPU 25.77s WALL ( 16140 calls) g_psi : 0.68s CPU 0.73s WALL ( 14799 calls) cdiaghg : 195.77s CPU 192.15s WALL ( 15199 calls) cegterg:over : 50.84s CPU 47.98s WALL ( 14799 calls) cegterg:upda : 8.78s CPU 12.47s WALL ( 14799 calls) cegterg:last : 8.93s CPU 9.96s WALL ( 2518 calls) Called by h_psi: h_psi:vloc : 216.45s CPU 223.97s WALL ( 16140 calls) h_psi:vnl : 55.43s CPU 56.49s WALL ( 16140 calls) add_vuspsi : 17.16s CPU 20.75s WALL ( 16140 calls) General routines calbec : 38.21s CPU 35.66s WALL ( 16140 calls) fft : 0.57s CPU 1.57s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 206.92s CPU 212.98s WALL ( 1379004 calls) interpolate : 0.04s CPU 0.06s WALL ( 4 calls) davcio : 0.03s CPU 1.50s WALL ( 800 calls) Parallel routines fft_scatter : 131.58s CPU 136.41s WALL ( 1379027 calls) PWSCF : 12m 5.80s CPU 14m20.04s WALL This run was terminated on: 11:55:19 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=