Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:42:19 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 70 19 2512 2512 369 Max 71 71 20 2517 2517 374 Sum 2549 2549 705 90537 90537 13349 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 = 103.0000 Ry charge density cutoff = 412.0000 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: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 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: /users/gautes/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 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E 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 0.0857146 -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 0.3172944 -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 0.3172944 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 0.0857146 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 0.3484849 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 0.3484849 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: 90537 G-vectors FFT dimensions: ( 72, 72, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.45 Mb ( 640, 46) NL pseudopotentials 0.61 Mb ( 320, 124) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2514) G-vector shells 0.01 Mb ( 1292) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.80 Mb ( 640, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.17 Mb ( 124, 2, 46) Check: negative/imaginary core charge= -0.000001 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 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.9 secs Computing kpt #: 13 total cpu time spent up to now is 9.5 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.0 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.9 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.6 secs Computing kpt #: 20 total cpu time spent up to now is 15.3 secs Computing kpt #: 21 total cpu time spent up to now is 15.9 secs Computing kpt #: 22 total cpu time spent up to now is 16.5 secs Computing kpt #: 23 total cpu time spent up to now is 17.2 secs Computing kpt #: 24 total cpu time spent up to now is 17.8 secs Computing kpt #: 25 total cpu time spent up to now is 18.4 secs Computing kpt #: 26 total cpu time spent up to now is 19.0 secs Computing kpt #: 27 total cpu time spent up to now is 19.7 secs Computing kpt #: 28 total cpu time spent up to now is 20.3 secs Computing kpt #: 29 total cpu time spent up to now is 20.9 secs Computing kpt #: 30 total cpu time spent up to now is 21.5 secs Computing kpt #: 31 total cpu time spent up to now is 22.1 secs Computing kpt #: 32 total cpu time spent up to now is 22.7 secs Computing kpt #: 33 total cpu time spent up to now is 23.3 secs Computing kpt #: 34 total cpu time spent up to now is 23.9 secs Computing kpt #: 35 total cpu time spent up to now is 24.6 secs Computing kpt #: 36 total cpu time spent up to now is 25.2 secs Computing kpt #: 37 total cpu time spent up to now is 25.9 secs Computing kpt #: 38 total cpu time spent up to now is 26.5 secs Computing kpt #: 39 total cpu time spent up to now is 27.1 secs Computing kpt #: 40 total cpu time spent up to now is 27.7 secs Computing kpt #: 41 total cpu time spent up to now is 28.4 secs Computing kpt #: 42 total cpu time spent up to now is 29.0 secs Computing kpt #: 43 total cpu time spent up to now is 29.6 secs Computing kpt #: 44 total cpu time spent up to now is 30.2 secs Computing kpt #: 45 total cpu time spent up to now is 30.8 secs Computing kpt #: 46 total cpu time spent up to now is 31.5 secs Computing kpt #: 47 total cpu time spent up to now is 32.1 secs Computing kpt #: 48 total cpu time spent up to now is 32.7 secs Computing kpt #: 49 total cpu time spent up to now is 33.4 secs Computing kpt #: 50 total cpu time spent up to now is 34.0 secs Computing kpt #: 51 total cpu time spent up to now is 34.6 secs Computing kpt #: 52 total cpu time spent up to now is 35.3 secs Computing kpt #: 53 total cpu time spent up to now is 35.9 secs Computing kpt #: 54 total cpu time spent up to now is 36.6 secs Computing kpt #: 55 total cpu time spent up to now is 37.2 secs Computing kpt #: 56 total cpu time spent up to now is 37.9 secs Computing kpt #: 57 total cpu time spent up to now is 38.7 secs Computing kpt #: 58 total cpu time spent up to now is 39.4 secs Computing kpt #: 59 total cpu time spent up to now is 40.1 secs Computing kpt #: 60 total cpu time spent up to now is 40.7 secs Computing kpt #: 61 total cpu time spent up to now is 41.3 secs Computing kpt #: 62 total cpu time spent up to now is 42.0 secs Computing kpt #: 63 total cpu time spent up to now is 42.6 secs Computing kpt #: 64 total cpu time spent up to now is 43.2 secs Computing kpt #: 65 total cpu time spent up to now is 43.9 secs Computing kpt #: 66 total cpu time spent up to now is 44.5 secs Computing kpt #: 67 total cpu time spent up to now is 45.2 secs Computing kpt #: 68 total cpu time spent up to now is 46.0 secs Computing kpt #: 69 total cpu time spent up to now is 46.7 secs Computing kpt #: 70 total cpu time spent up to now is 47.4 secs Computing kpt #: 71 total cpu time spent up to now is 48.2 secs Computing kpt #: 72 total cpu time spent up to now is 49.0 secs Computing kpt #: 73 total cpu time spent up to now is 49.9 secs Computing kpt #: 74 total cpu time spent up to now is 50.7 secs Computing kpt #: 75 total cpu time spent up to now is 51.4 secs Computing kpt #: 76 total cpu time spent up to now is 52.1 secs Computing kpt #: 77 total cpu time spent up to now is 52.8 secs Computing kpt #: 78 total cpu time spent up to now is 53.5 secs Computing kpt #: 79 total cpu time spent up to now is 54.3 secs Computing kpt #: 80 total cpu time spent up to now is 55.0 secs Computing kpt #: 81 total cpu time spent up to now is 55.6 secs Computing kpt #: 82 total cpu time spent up to now is 56.3 secs Computing kpt #: 83 total cpu time spent up to now is 56.9 secs Computing kpt #: 84 total cpu time spent up to now is 57.5 secs Computing kpt #: 85 total cpu time spent up to now is 58.2 secs Computing kpt #: 86 total cpu time spent up to now is 58.8 secs Computing kpt #: 87 total cpu time spent up to now is 59.4 secs Computing kpt #: 88 total cpu time spent up to now is 60.2 secs Computing kpt #: 89 total cpu time spent up to now is 60.9 secs Computing kpt #: 90 total cpu time spent up to now is 61.7 secs Computing kpt #: 91 total cpu time spent up to now is 62.5 secs Computing kpt #: 92 total cpu time spent up to now is 63.3 secs Computing kpt #: 93 total cpu time spent up to now is 64.1 secs Computing kpt #: 94 total cpu time spent up to now is 64.9 secs Computing kpt #: 95 total cpu time spent up to now is 65.8 secs Computing kpt #: 96 total cpu time spent up to now is 66.6 secs Computing kpt #: 97 total cpu time spent up to now is 67.4 secs Computing kpt #: 98 total cpu time spent up to now is 68.3 secs Computing kpt #: 99 total cpu time spent up to now is 69.2 secs Computing kpt #: 100 total cpu time spent up to now is 70.2 secs Computing kpt #: 101 total cpu time spent up to now is 71.0 secs Computing kpt #: 102 total cpu time spent up to now is 71.8 secs Computing kpt #: 103 total cpu time spent up to now is 72.7 secs Computing kpt #: 104 total cpu time spent up to now is 73.6 secs Computing kpt #: 105 total cpu time spent up to now is 74.6 secs Computing kpt #: 106 total cpu time spent up to now is 75.7 secs Computing kpt #: 107 total cpu time spent up to now is 76.7 secs Computing kpt #: 108 total cpu time spent up to now is 77.8 secs Computing kpt #: 109 total cpu time spent up to now is 78.8 secs Computing kpt #: 110 total cpu time spent up to now is 79.6 secs Computing kpt #: 111 total cpu time spent up to now is 80.4 secs Computing kpt #: 112 total cpu time spent up to now is 81.2 secs Computing kpt #: 113 total cpu time spent up to now is 82.0 secs Computing kpt #: 114 total cpu time spent up to now is 82.7 secs Computing kpt #: 115 total cpu time spent up to now is 83.5 secs Computing kpt #: 116 total cpu time spent up to now is 84.3 secs Computing kpt #: 117 total cpu time spent up to now is 85.1 secs Computing kpt #: 118 total cpu time spent up to now is 85.8 secs Computing kpt #: 119 total cpu time spent up to now is 86.6 secs Computing kpt #: 120 total cpu time spent up to now is 87.4 secs Computing kpt #: 121 total cpu time spent up to now is 88.1 secs Computing kpt #: 122 total cpu time spent up to now is 88.9 secs Computing kpt #: 123 total cpu time spent up to now is 89.7 secs Computing kpt #: 124 total cpu time spent up to now is 90.4 secs Computing kpt #: 125 total cpu time spent up to now is 91.2 secs Computing kpt #: 126 total cpu time spent up to now is 92.0 secs Computing kpt #: 127 total cpu time spent up to now is 92.7 secs Computing kpt #: 128 total cpu time spent up to now is 93.6 secs Computing kpt #: 129 total cpu time spent up to now is 94.2 secs Computing kpt #: 130 total cpu time spent up to now is 95.0 secs Computing kpt #: 131 total cpu time spent up to now is 95.6 secs Computing kpt #: 132 total cpu time spent up to now is 96.2 secs Computing kpt #: 133 total cpu time spent up to now is 97.0 secs Computing kpt #: 134 total cpu time spent up to now is 97.6 secs Computing kpt #: 135 total cpu time spent up to now is 98.4 secs Computing kpt #: 136 total cpu time spent up to now is 99.1 secs Computing kpt #: 137 total cpu time spent up to now is 99.9 secs Computing kpt #: 138 total cpu time spent up to now is 100.6 secs Computing kpt #: 139 total cpu time spent up to now is 101.3 secs Computing kpt #: 140 total cpu time spent up to now is 102.1 secs Computing kpt #: 141 total cpu time spent up to now is 102.9 secs Computing kpt #: 142 total cpu time spent up to now is 103.6 secs Computing kpt #: 143 total cpu time spent up to now is 104.4 secs Computing kpt #: 144 total cpu time spent up to now is 105.1 secs Computing kpt #: 145 total cpu time spent up to now is 105.9 secs Computing kpt #: 146 total cpu time spent up to now is 106.5 secs Computing kpt #: 147 total cpu time spent up to now is 107.3 secs Computing kpt #: 148 total cpu time spent up to now is 107.9 secs Computing kpt #: 149 total cpu time spent up to now is 108.5 secs Computing kpt #: 150 total cpu time spent up to now is 109.1 secs Computing kpt #: 151 total cpu time spent up to now is 109.7 secs Computing kpt #: 152 total cpu time spent up to now is 110.3 secs Computing kpt #: 153 total cpu time spent up to now is 110.9 secs Computing kpt #: 154 total cpu time spent up to now is 111.7 secs Computing kpt #: 155 total cpu time spent up to now is 112.4 secs Computing kpt #: 156 total cpu time spent up to now is 113.3 secs Computing kpt #: 157 total cpu time spent up to now is 113.9 secs Computing kpt #: 158 total cpu time spent up to now is 115.0 secs Computing kpt #: 159 total cpu time spent up to now is 115.8 secs Computing kpt #: 160 total cpu time spent up to now is 116.6 secs Computing kpt #: 161 total cpu time spent up to now is 117.4 secs Computing kpt #: 162 total cpu time spent up to now is 118.4 secs Computing kpt #: 163 total cpu time spent up to now is 119.6 secs Computing kpt #: 164 total cpu time spent up to now is 120.7 secs Computing kpt #: 165 total cpu time spent up to now is 121.3 secs Computing kpt #: 166 total cpu time spent up to now is 122.0 secs Computing kpt #: 167 total cpu time spent up to now is 122.6 secs Computing kpt #: 168 total cpu time spent up to now is 123.4 secs Computing kpt #: 169 total cpu time spent up to now is 124.1 secs Computing kpt #: 170 total cpu time spent up to now is 124.8 secs Computing kpt #: 171 total cpu time spent up to now is 125.4 secs Computing kpt #: 172 total cpu time spent up to now is 126.1 secs Computing kpt #: 173 total cpu time spent up to now is 126.8 secs Computing kpt #: 174 total cpu time spent up to now is 127.6 secs Computing kpt #: 175 total cpu time spent up to now is 128.3 secs Computing kpt #: 176 total cpu time spent up to now is 128.9 secs Computing kpt #: 177 total cpu time spent up to now is 129.6 secs Computing kpt #: 178 total cpu time spent up to now is 130.2 secs Computing kpt #: 179 total cpu time spent up to now is 130.8 secs Computing kpt #: 180 total cpu time spent up to now is 131.5 secs Computing kpt #: 181 total cpu time spent up to now is 132.1 secs Computing kpt #: 182 total cpu time spent up to now is 132.9 secs Computing kpt #: 183 total cpu time spent up to now is 133.8 secs Computing kpt #: 184 total cpu time spent up to now is 134.6 secs Computing kpt #: 185 total cpu time spent up to now is 135.5 secs Computing kpt #: 186 total cpu time spent up to now is 136.2 secs Computing kpt #: 187 total cpu time spent up to now is 137.0 secs Computing kpt #: 188 total cpu time spent up to now is 137.7 secs Computing kpt #: 189 total cpu time spent up to now is 138.4 secs Computing kpt #: 190 total cpu time spent up to now is 139.0 secs Computing kpt #: 191 total cpu time spent up to now is 139.7 secs Computing kpt #: 192 total cpu time spent up to now is 140.3 secs Computing kpt #: 193 total cpu time spent up to now is 140.9 secs Computing kpt #: 194 total cpu time spent up to now is 141.5 secs Computing kpt #: 195 total cpu time spent up to now is 142.1 secs Computing kpt #: 196 total cpu time spent up to now is 142.7 secs Computing kpt #: 197 total cpu time spent up to now is 143.3 secs Computing kpt #: 198 total cpu time spent up to now is 143.9 secs Computing kpt #: 199 total cpu time spent up to now is 144.5 secs Computing kpt #: 200 total cpu time spent up to now is 145.1 secs Computing kpt #: 201 total cpu time spent up to now is 145.6 secs Computing kpt #: 202 total cpu time spent up to now is 146.2 secs Computing kpt #: 203 total cpu time spent up to now is 146.8 secs Computing kpt #: 204 total cpu time spent up to now is 147.3 secs Computing kpt #: 205 total cpu time spent up to now is 147.9 secs Computing kpt #: 206 total cpu time spent up to now is 148.5 secs Computing kpt #: 207 total cpu time spent up to now is 149.1 secs Computing kpt #: 208 total cpu time spent up to now is 149.7 secs Computing kpt #: 209 total cpu time spent up to now is 150.2 secs Computing kpt #: 210 total cpu time spent up to now is 150.9 secs Computing kpt #: 211 total cpu time spent up to now is 151.5 secs Computing kpt #: 212 total cpu time spent up to now is 152.2 secs Computing kpt #: 213 total cpu time spent up to now is 152.8 secs Computing kpt #: 214 total cpu time spent up to now is 153.5 secs Computing kpt #: 215 total cpu time spent up to now is 154.3 secs Computing kpt #: 216 total cpu time spent up to now is 154.9 secs Computing kpt #: 217 total cpu time spent up to now is 155.5 secs Computing kpt #: 218 total cpu time spent up to now is 156.1 secs Computing kpt #: 219 total cpu time spent up to now is 156.7 secs Computing kpt #: 220 total cpu time spent up to now is 157.3 secs Computing kpt #: 221 total cpu time spent up to now is 157.9 secs Computing kpt #: 222 total cpu time spent up to now is 158.5 secs Computing kpt #: 223 total cpu time spent up to now is 159.1 secs Computing kpt #: 224 total cpu time spent up to now is 159.7 secs Computing kpt #: 225 total cpu time spent up to now is 160.3 secs Computing kpt #: 226 total cpu time spent up to now is 160.9 secs Computing kpt #: 227 total cpu time spent up to now is 161.5 secs Computing kpt #: 228 total cpu time spent up to now is 162.2 secs Computing kpt #: 229 total cpu time spent up to now is 162.8 secs Computing kpt #: 230 total cpu time spent up to now is 163.5 secs Computing kpt #: 231 total cpu time spent up to now is 164.1 secs Computing kpt #: 232 total cpu time spent up to now is 164.7 secs Computing kpt #: 233 total cpu time spent up to now is 165.4 secs Computing kpt #: 234 total cpu time spent up to now is 166.0 secs Computing kpt #: 235 total cpu time spent up to now is 166.6 secs Computing kpt #: 236 total cpu time spent up to now is 167.2 secs Computing kpt #: 237 total cpu time spent up to now is 167.8 secs Computing kpt #: 238 total cpu time spent up to now is 168.4 secs Computing kpt #: 239 total cpu time spent up to now is 169.1 secs Computing kpt #: 240 total cpu time spent up to now is 169.7 secs Computing kpt #: 241 total cpu time spent up to now is 170.3 secs Computing kpt #: 242 total cpu time spent up to now is 170.9 secs Computing kpt #: 243 total cpu time spent up to now is 171.5 secs Computing kpt #: 244 total cpu time spent up to now is 172.2 secs Computing kpt #: 245 total cpu time spent up to now is 172.8 secs Computing kpt #: 246 total cpu time spent up to now is 173.4 secs Computing kpt #: 247 total cpu time spent up to now is 174.0 secs Computing kpt #: 248 total cpu time spent up to now is 174.6 secs Computing kpt #: 249 total cpu time spent up to now is 175.2 secs Computing kpt #: 250 total cpu time spent up to now is 175.8 secs Computing kpt #: 251 total cpu time spent up to now is 176.4 secs Computing kpt #: 252 total cpu time spent up to now is 177.0 secs Computing kpt #: 253 total cpu time spent up to now is 177.6 secs Computing kpt #: 254 total cpu time spent up to now is 178.4 secs Computing kpt #: 255 total cpu time spent up to now is 179.2 secs Computing kpt #: 256 total cpu time spent up to now is 179.9 secs Computing kpt #: 257 total cpu time spent up to now is 180.6 secs Computing kpt #: 258 total cpu time spent up to now is 181.2 secs Computing kpt #: 259 total cpu time spent up to now is 181.8 secs Computing kpt #: 260 total cpu time spent up to now is 182.5 secs Computing kpt #: 261 total cpu time spent up to now is 183.1 secs Computing kpt #: 262 total cpu time spent up to now is 183.7 secs Computing kpt #: 263 total cpu time spent up to now is 184.4 secs Computing kpt #: 264 total cpu time spent up to now is 185.0 secs Computing kpt #: 265 total cpu time spent up to now is 185.6 secs Computing kpt #: 266 total cpu time spent up to now is 186.2 secs Computing kpt #: 267 total cpu time spent up to now is 186.8 secs Computing kpt #: 268 total cpu time spent up to now is 187.5 secs Computing kpt #: 269 total cpu time spent up to now is 188.1 secs Computing kpt #: 270 total cpu time spent up to now is 188.7 secs Computing kpt #: 271 total cpu time spent up to now is 189.3 secs Computing kpt #: 272 total cpu time spent up to now is 189.9 secs Computing kpt #: 273 total cpu time spent up to now is 190.5 secs Computing kpt #: 274 total cpu time spent up to now is 191.1 secs Computing kpt #: 275 total cpu time spent up to now is 191.7 secs Computing kpt #: 276 total cpu time spent up to now is 192.3 secs Computing kpt #: 277 total cpu time spent up to now is 192.9 secs Computing kpt #: 278 total cpu time spent up to now is 193.5 secs Computing kpt #: 279 total cpu time spent up to now is 194.1 secs Computing kpt #: 280 total cpu time spent up to now is 194.7 secs Computing kpt #: 281 total cpu time spent up to now is 195.3 secs Computing kpt #: 282 total cpu time spent up to now is 195.9 secs Computing kpt #: 283 total cpu time spent up to now is 196.5 secs Computing kpt #: 284 total cpu time spent up to now is 197.2 secs Computing kpt #: 285 total cpu time spent up to now is 198.0 secs Computing kpt #: 286 total cpu time spent up to now is 198.8 secs Computing kpt #: 287 total cpu time spent up to now is 199.5 secs Computing kpt #: 288 total cpu time spent up to now is 200.2 secs Computing kpt #: 289 total cpu time spent up to now is 200.8 secs Computing kpt #: 290 total cpu time spent up to now is 201.4 secs Computing kpt #: 291 total cpu time spent up to now is 202.0 secs Computing kpt #: 292 total cpu time spent up to now is 202.6 secs Computing kpt #: 293 total cpu time spent up to now is 203.2 secs Computing kpt #: 294 total cpu time spent up to now is 203.8 secs Computing kpt #: 295 total cpu time spent up to now is 204.4 secs Computing kpt #: 296 total cpu time spent up to now is 205.1 secs Computing kpt #: 297 total cpu time spent up to now is 205.7 secs Computing kpt #: 298 total cpu time spent up to now is 206.3 secs Computing kpt #: 299 total cpu time spent up to now is 206.9 secs Computing kpt #: 300 total cpu time spent up to now is 207.7 secs Computing kpt #: 301 total cpu time spent up to now is 208.5 secs Computing kpt #: 302 total cpu time spent up to now is 209.2 secs Computing kpt #: 303 total cpu time spent up to now is 210.0 secs Computing kpt #: 304 total cpu time spent up to now is 210.8 secs Computing kpt #: 305 total cpu time spent up to now is 211.6 secs Computing kpt #: 306 total cpu time spent up to now is 212.4 secs Computing kpt #: 307 total cpu time spent up to now is 213.2 secs Computing kpt #: 308 total cpu time spent up to now is 214.0 secs Computing kpt #: 309 total cpu time spent up to now is 215.1 secs Computing kpt #: 310 total cpu time spent up to now is 216.2 secs Computing kpt #: 311 total cpu time spent up to now is 217.2 secs Computing kpt #: 312 total cpu time spent up to now is 218.4 secs Computing kpt #: 313 total cpu time spent up to now is 219.5 secs Computing kpt #: 314 total cpu time spent up to now is 220.5 secs Computing kpt #: 315 total cpu time spent up to now is 221.2 secs Computing kpt #: 316 total cpu time spent up to now is 221.8 secs Computing kpt #: 317 total cpu time spent up to now is 222.4 secs Computing kpt #: 318 total cpu time spent up to now is 223.2 secs Computing kpt #: 319 total cpu time spent up to now is 224.3 secs Computing kpt #: 320 total cpu time spent up to now is 224.9 secs Computing kpt #: 321 total cpu time spent up to now is 225.8 secs Computing kpt #: 322 total cpu time spent up to now is 226.9 secs Computing kpt #: 323 total cpu time spent up to now is 228.0 secs Computing kpt #: 324 total cpu time spent up to now is 229.1 secs Computing kpt #: 325 total cpu time spent up to now is 230.3 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.4 secs Computing kpt #: 327 total cpu time spent up to now is 234.3 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.4 secs Computing kpt #: 329 total cpu time spent up to now is 237.3 secs Computing kpt #: 330 total cpu time spent up to now is 238.1 secs Computing kpt #: 331 total cpu time spent up to now is 239.0 secs Computing kpt #: 332 total cpu time spent up to now is 239.8 secs Computing kpt #: 333 total cpu time spent up to now is 240.6 secs Computing kpt #: 334 total cpu time spent up to now is 241.4 secs Computing kpt #: 335 total cpu time spent up to now is 242.2 secs Computing kpt #: 336 total cpu time spent up to now is 243.0 secs Computing kpt #: 337 total cpu time spent up to now is 243.7 secs Computing kpt #: 338 total cpu time spent up to now is 244.5 secs Computing kpt #: 339 total cpu time spent up to now is 245.3 secs Computing kpt #: 340 total cpu time spent up to now is 246.1 secs Computing kpt #: 341 total cpu time spent up to now is 246.8 secs Computing kpt #: 342 total cpu time spent up to now is 247.6 secs Computing kpt #: 343 total cpu time spent up to now is 248.4 secs Computing kpt #: 344 total cpu time spent up to now is 249.2 secs Computing kpt #: 345 total cpu time spent up to now is 250.1 secs Computing kpt #: 346 total cpu time spent up to now is 250.9 secs Computing kpt #: 347 total cpu time spent up to now is 251.7 secs Computing kpt #: 348 total cpu time spent up to now is 252.5 secs Computing kpt #: 349 total cpu time spent up to now is 253.3 secs Computing kpt #: 350 total cpu time spent up to now is 254.2 secs Computing kpt #: 351 total cpu time spent up to now is 255.0 secs Computing kpt #: 352 total cpu time spent up to now is 255.6 secs Computing kpt #: 353 total cpu time spent up to now is 256.3 secs Computing kpt #: 354 total cpu time spent up to now is 256.9 secs Computing kpt #: 355 total cpu time spent up to now is 257.5 secs Computing kpt #: 356 total cpu time spent up to now is 258.1 secs Computing kpt #: 357 total cpu time spent up to now is 258.7 secs Computing kpt #: 358 total cpu time spent up to now is 259.3 secs Computing kpt #: 359 total cpu time spent up to now is 260.0 secs Computing kpt #: 360 total cpu time spent up to now is 260.6 secs Computing kpt #: 361 total cpu time spent up to now is 261.2 secs Computing kpt #: 362 total cpu time spent up to now is 261.8 secs Computing kpt #: 363 total cpu time spent up to now is 262.4 secs Computing kpt #: 364 total cpu time spent up to now is 263.0 secs Computing kpt #: 365 total cpu time spent up to now is 263.6 secs Computing kpt #: 366 total cpu time spent up to now is 264.2 secs Computing kpt #: 367 total cpu time spent up to now is 265.0 secs Computing kpt #: 368 total cpu time spent up to now is 265.7 secs Computing kpt #: 369 total cpu time spent up to now is 266.5 secs Computing kpt #: 370 total cpu time spent up to now is 267.2 secs Computing kpt #: 371 total cpu time spent up to now is 267.8 secs Computing kpt #: 372 total cpu time spent up to now is 268.4 secs Computing kpt #: 373 total cpu time spent up to now is 269.0 secs Computing kpt #: 374 total cpu time spent up to now is 269.6 secs Computing kpt #: 375 total cpu time spent up to now is 270.3 secs Computing kpt #: 376 total cpu time spent up to now is 270.9 secs Computing kpt #: 377 total cpu time spent up to now is 271.5 secs Computing kpt #: 378 total cpu time spent up to now is 272.2 secs Computing kpt #: 379 total cpu time spent up to now is 272.8 secs Computing kpt #: 380 total cpu time spent up to now is 273.4 secs Computing kpt #: 381 total cpu time spent up to now is 274.1 secs Computing kpt #: 382 total cpu time spent up to now is 274.7 secs Computing kpt #: 383 total cpu time spent up to now is 275.4 secs Computing kpt #: 384 total cpu time spent up to now is 276.0 secs Computing kpt #: 385 total cpu time spent up to now is 276.7 secs Computing kpt #: 386 total cpu time spent up to now is 277.3 secs Computing kpt #: 387 total cpu time spent up to now is 277.9 secs Computing kpt #: 388 total cpu time spent up to now is 278.6 secs Computing kpt #: 389 total cpu time spent up to now is 279.2 secs Computing kpt #: 390 total cpu time spent up to now is 279.8 secs Computing kpt #: 391 total cpu time spent up to now is 280.4 secs Computing kpt #: 392 total cpu time spent up to now is 281.0 secs Computing kpt #: 393 total cpu time spent up to now is 281.7 secs Computing kpt #: 394 total cpu time spent up to now is 282.3 secs Computing kpt #: 395 total cpu time spent up to now is 282.9 secs Computing kpt #: 396 total cpu time spent up to now is 283.5 secs Computing kpt #: 397 total cpu time spent up to now is 284.2 secs Computing kpt #: 398 total cpu time spent up to now is 285.0 secs Computing kpt #: 399 total cpu time spent up to now is 285.8 secs Computing kpt #: 400 total cpu time spent up to now is 286.7 secs ethr = 2.63E-08, avg # of iterations = 20.4 total cpu time spent up to now is 286.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11287 PWs) bands (ev): -41.2807 -41.2807 -41.2590 -41.2590 -41.0641 -41.0641 -41.0574 -41.0574 -9.7855 -9.7855 -9.7386 -9.7386 -9.7307 -9.7307 -9.7240 -9.7240 -9.3349 -9.3349 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1931 -9.1931 -9.1785 -9.1785 -3.2487 -3.2487 1.9624 1.9624 3.6378 3.6378 3.9765 3.9765 4.5587 4.5587 5.8977 5.8977 6.6577 6.6577 7.4136 7.4136 7.9190 7.9190 k = 0.0071 0.0149-0.0000 ( 11295 PWs) bands (ev): -41.2807 -41.2807 -41.2590 -41.2590 -41.0641 -41.0641 -41.0574 -41.0574 -9.7855 -9.7855 -9.7386 -9.7386 -9.7307 -9.7307 -9.7240 -9.7240 -9.3349 -9.3349 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1931 -9.1931 -9.1785 -9.1785 -3.2480 -3.2480 1.9624 1.9624 3.6390 3.6390 3.9725 3.9725 4.5550 4.5550 5.8879 5.8879 6.6575 6.6575 7.4253 7.4253 7.9324 7.9324 k = 0.0143 0.0299-0.0000 ( 11303 PWs) bands (ev): -41.2807 -41.2807 -41.2590 -41.2590 -41.0641 -41.0641 -41.0575 -41.0575 -9.7855 -9.7855 -9.7386 -9.7386 -9.7307 -9.7307 -9.7240 -9.7240 -9.3349 -9.3349 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1931 -9.1931 -9.1785 -9.1785 -3.2460 -3.2460 1.9625 1.9625 3.6427 3.6427 3.9603 3.9603 4.5447 4.5447 5.8594 5.8594 6.6571 6.6571 7.4600 7.4600 7.9720 7.9720 k = 0.0214 0.0448-0.0000 ( 11291 PWs) bands (ev): -41.2807 -41.2807 -41.2590 -41.2590 -41.0641 -41.0641 -41.0575 -41.0575 -9.7855 -9.7855 -9.7385 -9.7385 -9.7307 -9.7307 -9.7241 -9.7241 -9.3349 -9.3349 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1931 -9.1931 -9.1785 -9.1785 -3.2426 -3.2426 1.9626 1.9626 3.6488 3.6488 3.9392 3.9392 4.5295 4.5295 5.8143 5.8143 6.6564 6.6564 7.5166 7.5166 8.0355 8.0355 k = 0.0286 0.0598-0.0000 ( 11289 PWs) bands (ev): -41.2806 -41.2806 -41.2590 -41.2590 -41.0640 -41.0640 -41.0575 -41.0575 -9.7855 -9.7855 -9.7385 -9.7385 -9.7307 -9.7307 -9.7241 -9.7241 -9.3349 -9.3349 -9.3178 -9.3178 -9.2558 -9.2558 -9.2324 -9.2324 -9.1931 -9.1931 -9.1785 -9.1785 -3.2379 -3.2379 1.9626 1.9626 3.6572 3.6572 3.9084 3.9084 4.5120 4.5120 5.7557 5.7557 6.6554 6.6554 7.5934 7.5934 8.1199 8.1199 k = 0.0357 0.0747-0.0000 ( 11277 PWs) bands (ev): -41.2806 -41.2806 -41.2590 -41.2590 -41.0640 -41.0640 -41.0575 -41.0575 -9.7855 -9.7855 -9.7384 -9.7384 -9.7306 -9.7306 -9.7241 -9.7241 -9.3348 -9.3348 -9.3178 -9.3178 -9.2558 -9.2558 -9.2323 -9.2323 -9.1931 -9.1931 -9.1785 -9.1785 -3.2318 -3.2318 1.9626 1.9626 3.6678 3.6678 3.8672 3.8672 4.4949 4.4949 5.6868 5.6868 6.6541 6.6541 7.6886 7.6886 8.2222 8.2222 k = 0.0429 0.0896-0.0000 ( 11278 PWs) bands (ev): -41.2806 -41.2806 -41.2590 -41.2590 -41.0640 -41.0640 -41.0576 -41.0576 -9.7855 -9.7855 -9.7383 -9.7383 -9.7306 -9.7306 -9.7241 -9.7241 -9.3348 -9.3348 -9.3178 -9.3178 -9.2557 -9.2557 -9.2323 -9.2323 -9.1931 -9.1931 -9.1786 -9.1786 -3.2245 -3.2245 1.9622 1.9622 3.6800 3.6800 3.8160 3.8160 4.4804 4.4804 5.6106 5.6106 6.6526 6.6526 7.8000 7.8000 8.3394 8.3394 k = 0.0500 0.1046-0.0000 ( 11274 PWs) bands (ev): -41.2806 -41.2806 -41.2590 -41.2590 -41.0640 -41.0640 -41.0576 -41.0576 -9.7855 -9.7855 -9.7382 -9.7382 -9.7306 -9.7306 -9.7242 -9.7242 -9.3348 -9.3348 -9.3179 -9.3179 -9.2557 -9.2557 -9.2322 -9.2322 -9.1931 -9.1931 -9.1786 -9.1786 -3.2159 -3.2159 1.9615 1.9615 3.6904 3.6904 3.7586 3.7586 4.4701 4.4701 5.5297 5.5297 6.6507 6.6507 7.9258 7.9258 8.4690 8.4690 k = 0.0571 0.1195-0.0000 ( 11268 PWs) bands (ev): -41.2805 -41.2805 -41.2590 -41.2590 -41.0639 -41.0639 -41.0577 -41.0577 -9.7854 -9.7854 -9.7381 -9.7381 -9.7306 -9.7306 -9.7242 -9.7242 -9.3347 -9.3347 -9.3180 -9.3180 -9.2556 -9.2556 -9.2321 -9.2321 -9.1931 -9.1931 -9.1786 -9.1786 -3.2060 -3.2060 1.9602 1.9602 3.6649 3.6649 3.7303 3.7303 4.4646 4.4646 5.4462 5.4462 6.6487 6.6487 8.0642 8.0642 8.6090 8.6090 k = 0.0643 0.1345-0.0000 ( 11256 PWs) bands (ev): -41.2805 -41.2805 -41.2590 -41.2590 -41.0639 -41.0639 -41.0578 -41.0578 -9.7854 -9.7854 -9.7380 -9.7380 -9.7306 -9.7306 -9.7243 -9.7243 -9.3347 -9.3347 -9.3180 -9.3180 -9.2556 -9.2556 -9.2319 -9.2319 -9.1931 -9.1931 -9.1786 -9.1786 -3.1949 -3.1949 1.9581 1.9581 3.5916 3.5916 3.7443 3.7443 4.4639 4.4639 5.3621 5.3621 6.6463 6.6463 8.2136 8.2136 8.7576 8.7576 k = 0.0714 0.1494-0.0000 ( 11268 PWs) bands (ev): -41.2804 -41.2804 -41.2590 -41.2590 -41.0639 -41.0639 -41.0579 -41.0579 -9.7854 -9.7854 -9.7379 -9.7379 -9.7306 -9.7306 -9.7243 -9.7243 -9.3346 -9.3346 -9.3181 -9.3181 -9.2555 -9.2555 -9.2318 -9.2318 -9.1930 -9.1930 -9.1787 -9.1787 -3.1826 -3.1826 1.9550 1.9550 3.5069 3.5069 3.7659 3.7659 4.4677 4.4677 5.2788 5.2788 6.6438 6.6438 8.3727 8.3727 8.9137 8.9137 k = 0.0786 0.1643-0.0000 ( 11282 PWs) bands (ev): -41.2804 -41.2804 -41.2590 -41.2590 -41.0638 -41.0638 -41.0580 -41.0580 -9.7854 -9.7854 -9.7377 -9.7377 -9.7305 -9.7305 -9.7244 -9.7244 -9.3346 -9.3346 -9.3182 -9.3182 -9.2554 -9.2554 -9.2316 -9.2316 -9.1930 -9.1930 -9.1787 -9.1787 -3.1693 -3.1693 1.9506 1.9506 3.4167 3.4167 3.7909 3.7909 4.4755 4.4755 5.1975 5.1975 6.6410 6.6410 8.5403 8.5403 9.0760 9.0760 k = 0.0857 0.1793-0.0000 ( 11284 PWs) bands (ev): -41.2803 -41.2803 -41.2591 -41.2591 -41.0638 -41.0638 -41.0581 -41.0581 -9.7853 -9.7853 -9.7376 -9.7376 -9.7305 -9.7305 -9.7245 -9.7245 -9.3345 -9.3345 -9.3182 -9.3182 -9.2553 -9.2553 -9.2315 -9.2315 -9.1930 -9.1930 -9.1788 -9.1788 -3.1548 -3.1548 1.9448 1.9448 3.3231 3.3231 3.8184 3.8184 4.4871 4.4871 5.1192 5.1192 6.6379 6.6379 8.7154 8.7154 9.2437 9.2437 k = 0.0929 0.1942-0.0000 ( 11292 PWs) bands (ev): -41.2803 -41.2803 -41.2591 -41.2591 -41.0637 -41.0637 -41.0582 -41.0582 -9.7853 -9.7853 -9.7374 -9.7374 -9.7305 -9.7305 -9.7245 -9.7245 -9.3344 -9.3344 -9.3183 -9.3183 -9.2552 -9.2552 -9.2313 -9.2313 -9.1930 -9.1930 -9.1788 -9.1788 -3.1393 -3.1393 1.9372 1.9372 3.2274 3.2274 3.8483 3.8483 4.5019 4.5019 5.0449 5.0449 6.6347 6.6347 8.8972 8.8972 9.4160 9.4160 k = 0.1000 0.2092-0.0000 ( 11304 PWs) bands (ev): -41.2802 -41.2802 -41.2591 -41.2591 -41.0637 -41.0637 -41.0583 -41.0583 -9.7852 -9.7852 -9.7373 -9.7373 -9.7305 -9.7305 -9.7246 -9.7246 -9.3344 -9.3344 -9.3184 -9.3184 -9.2551 -9.2551 -9.2312 -9.2312 -9.1930 -9.1930 -9.1789 -9.1789 -3.1229 -3.1229 1.9276 1.9276 3.1307 3.1307 3.8804 3.8804 4.5196 4.5196 4.9754 4.9754 6.6312 6.6312 9.0850 9.0850 9.5917 9.5917 k = 0.1071 0.2241-0.0000 ( 11288 PWs) bands (ev): -41.2802 -41.2802 -41.2591 -41.2591 -41.0636 -41.0636 -41.0584 -41.0584 -9.7852 -9.7852 -9.7371 -9.7371 -9.7304 -9.7304 -9.7247 -9.7247 -9.3343 -9.3343 -9.3185 -9.3185 -9.2550 -9.2550 -9.2310 -9.2310 -9.1930 -9.1930 -9.1789 -9.1789 -3.1055 -3.1055 1.9156 1.9156 3.0339 3.0339 3.9147 3.9147 4.5400 4.5400 4.9112 4.9112 6.6275 6.6275 9.2780 9.2780 9.6631 9.6631 k = 0.1143 0.2390-0.0000 ( 11306 PWs) bands (ev): -41.2801 -41.2801 -41.2591 -41.2591 -41.0635 -41.0635 -41.0585 -41.0585 -9.7852 -9.7852 -9.7369 -9.7369 -9.7304 -9.7304 -9.7247 -9.7247 -9.3342 -9.3342 -9.3186 -9.3186 -9.2549 -9.2549 -9.2308 -9.2308 -9.1929 -9.1929 -9.1790 -9.1790 -3.0874 -3.0874 1.9010 1.9010 2.9377 2.9377 3.9510 3.9510 4.5628 4.5628 4.8532 4.8532 6.6236 6.6236 9.4755 9.4755 9.5596 9.5596 k = 0.1214 0.2540-0.0000 ( 11312 PWs) bands (ev): -41.2800 -41.2800 -41.2591 -41.2591 -41.0634 -41.0634 -41.0587 -41.0587 -9.7851 -9.7851 -9.7367 -9.7367 -9.7304 -9.7304 -9.7248 -9.7248 -9.3342 -9.3342 -9.3187 -9.3187 -9.2548 -9.2548 -9.2306 -9.2306 -9.1929 -9.1929 -9.1790 -9.1790 -3.0685 -3.0685 1.8835 1.8835 2.8428 2.8428 3.9893 3.9893 4.5879 4.5879 4.8018 4.8018 6.6195 6.6195 9.4535 9.4535 9.6766 9.6766 k = 0.1286 0.2689-0.0000 ( 11314 PWs) bands (ev): -41.2800 -41.2800 -41.2591 -41.2591 -41.0634 -41.0634 -41.0588 -41.0588 -9.7851 -9.7851 -9.7366 -9.7366 -9.7304 -9.7304 -9.7249 -9.7249 -9.3341 -9.3341 -9.3188 -9.3188 -9.2547 -9.2547 -9.2304 -9.2304 -9.1929 -9.1929 -9.1791 -9.1791 -3.0490 -3.0490 1.8630 1.8630 2.7496 2.7496 4.0294 4.0294 4.6148 4.6148 4.7577 4.7577 6.6152 6.6152 9.3464 9.3464 9.8196 9.8196 k = 0.1357 0.2839-0.0000 ( 11320 PWs) bands (ev): -41.2799 -41.2799 -41.2591 -41.2591 -41.0633 -41.0633 -41.0589 -41.0589 -9.7850 -9.7850 -9.7364 -9.7364 -9.7303 -9.7303 -9.7250 -9.7250 -9.3340 -9.3340 -9.3188 -9.3188 -9.2546 -9.2546 -9.2303 -9.2303 -9.1929 -9.1929 -9.1791 -9.1791 -3.0289 -3.0289 1.8392 1.8392 2.6586 2.6586 4.0713 4.0713 4.6427 4.6427 4.7221 4.7221 6.6107 6.6107 9.2389 9.2389 9.7341 9.7341 k = 0.1429 0.2988-0.0000 ( 11314 PWs) bands (ev): -41.2798 -41.2798 -41.2591 -41.2591 -41.0632 -41.0632 -41.0591 -41.0591 -9.7850 -9.7850 -9.7362 -9.7362 -9.7303 -9.7303 -9.7251 -9.7251 -9.3339 -9.3339 -9.3189 -9.3189 -9.2545 -9.2545 -9.2301 -9.2301 -9.1928 -9.1928 -9.1792 -9.1792 -3.0084 -3.0084 1.8121 1.8121 2.5702 2.5702 4.1148 4.1148 4.6649 4.6649 4.7018 4.7018 6.6061 6.6061 9.1319 9.1319 9.6387 9.6387 k = 0.1500 0.3137-0.0000 ( 11312 PWs) bands (ev): -41.2798 -41.2798 -41.2591 -41.2591 -41.0631 -41.0631 -41.0592 -41.0592 -9.7849 -9.7849 -9.7360 -9.7360 -9.7303 -9.7303 -9.7251 -9.7251 -9.3338 -9.3338 -9.3190 -9.3190 -9.2543 -9.2543 -9.2299 -9.2299 -9.1928 -9.1928 -9.1793 -9.1793 -2.9875 -2.9875 1.7817 1.7817 2.4848 2.4848 4.1597 4.1597 4.6595 4.6595 4.7187 4.7187 6.6012 6.6012 9.0260 9.0260 9.5386 9.5386 k = 0.1571 0.3287-0.0000 ( 11318 PWs) bands (ev): -41.2797 -41.2797 -41.2592 -41.2592 -41.0630 -41.0630 -41.0594 -41.0594 -9.7849 -9.7849 -9.7358 -9.7358 -9.7303 -9.7303 -9.7252 -9.7252 -9.3337 -9.3337 -9.3191 -9.3191 -9.2542 -9.2542 -9.2297 -9.2297 -9.1928 -9.1928 -9.1793 -9.1793 -2.9664 -2.9664 1.7478 1.7478 2.4026 2.4026 4.2059 4.2059 4.6478 4.6478 4.7517 4.7517 6.5962 6.5962 8.9217 8.9217 9.4353 9.4353 k = 0.1643 0.3436-0.0000 ( 11318 PWs) bands (ev): -41.2796 -41.2796 -41.2592 -41.2592 -41.0629 -41.0629 -41.0595 -41.0595 -9.7848 -9.7848 -9.7357 -9.7357 -9.7303 -9.7303 -9.7253 -9.7253 -9.3337 -9.3337 -9.3192 -9.3192 -9.2541 -9.2541 -9.2296 -9.2296 -9.1928 -9.1928 -9.1794 -9.1794 -2.9452 -2.9452 1.7107 1.7107 2.3240 2.3240 4.2532 4.2532 4.6421 4.6421 4.7885 4.7885 6.5910 6.5910 8.8197 8.8197 9.3297 9.3297 k = 0.1714 0.3586-0.0000 ( 11314 PWs) bands (ev): -41.2795 -41.2795 -41.2592 -41.2592 -41.0628 -41.0628 -41.0597 -41.0597 -9.7848 -9.7848 -9.7355 -9.7355 -9.7302 -9.7302 -9.7254 -9.7254 -9.3336 -9.3336 -9.3193 -9.3193 -9.2540 -9.2540 -9.2294 -9.2294 -9.1927 -9.1927 -9.1795 -9.1795 -2.9240 -2.9240 1.6705 1.6705 2.2493 2.2493 4.3015 4.3015 4.6437 4.6437 4.8275 4.8275 6.5856 6.5856 8.7205 8.7205 9.2228 9.2228 k = 0.1786 0.3735-0.0000 ( 11306 PWs) bands (ev): -41.2795 -41.2795 -41.2592 -41.2592 -41.0627 -41.0627 -41.0598 -41.0598 -9.7847 -9.7847 -9.7353 -9.7353 -9.7302 -9.7302 -9.7254 -9.7254 -9.3335 -9.3335 -9.3194 -9.3194 -9.2539 -9.2539 -9.2293 -9.2293 -9.1927 -9.1927 -9.1796 -9.1796 -2.9029 -2.9029 1.6273 1.6273 2.1787 2.1787 4.3505 4.3505 4.6527 4.6527 4.8686 4.8686 6.5800 6.5800 8.6243 8.6243 9.1151 9.1151 k = 0.1857 0.3884-0.0000 ( 11296 PWs) bands (ev): -41.2794 -41.2794 -41.2592 -41.2592 -41.0626 -41.0626 -41.0600 -41.0600 -9.7847 -9.7847 -9.7352 -9.7352 -9.7302 -9.7302 -9.7255 -9.7255 -9.3334 -9.3334 -9.3194 -9.3194 -9.2538 -9.2538 -9.2291 -9.2291 -9.1927 -9.1927 -9.1797 -9.1797 -2.8822 -2.8822 1.5814 1.5814 2.1124 2.1124 4.4000 4.4000 4.6691 4.6691 4.9116 4.9116 6.5743 6.5743 8.5319 8.5319 9.0073 9.0073 k = 0.1929 0.4034-0.0000 ( 11322 PWs) bands (ev): -41.2793 -41.2793 -41.2593 -41.2593 -41.0624 -41.0624 -41.0601 -41.0601 -9.7846 -9.7846 -9.7350 -9.7350 -9.7302 -9.7302 -9.7256 -9.7256 -9.3333 -9.3333 -9.3195 -9.3195 -9.2537 -9.2537 -9.2290 -9.2290 -9.1926 -9.1926 -9.1797 -9.1797 -2.8618 -2.8618 1.5332 1.5332 2.0506 2.0506 4.4496 4.4496 4.6926 4.6926 4.9563 4.9563 6.5683 6.5683 8.4435 8.4435 8.8999 8.8999 k = 0.2000 0.4183-0.0000 ( 11314 PWs) bands (ev): -41.2793 -41.2793 -41.2593 -41.2593 -41.0623 -41.0623 -41.0603 -41.0603 -9.7846 -9.7846 -9.7349 -9.7349 -9.7302 -9.7302 -9.7256 -9.7256 -9.3332 -9.3332 -9.3196 -9.3196 -9.2537 -9.2537 -9.2289 -9.2289 -9.1926 -9.1926 -9.1798 -9.1798 -2.8420 -2.8420 1.4828 1.4828 1.9936 1.9936 4.4993 4.4993 4.7230 4.7230 5.0027 5.0027 6.5622 6.5622 8.3597 8.3597 8.7932 8.7932 k = 0.2071 0.4333-0.0000 ( 11322 PWs) bands (ev): -41.2792 -41.2792 -41.2593 -41.2593 -41.0622 -41.0622 -41.0605 -41.0605 -9.7845 -9.7845 -9.7348 -9.7348 -9.7302 -9.7302 -9.7257 -9.7257 -9.3331 -9.3331 -9.3196 -9.3196 -9.2536 -9.2536 -9.2288 -9.2288 -9.1925 -9.1925 -9.1799 -9.1799 -2.8230 -2.8230 1.4307 1.4307 1.9416 1.9416 4.5486 4.5486 4.7600 4.7600 5.0508 5.0508 6.5559 6.5559 8.2808 8.2808 8.6875 8.6875 k = 0.2143 0.4482-0.0000 ( 11314 PWs) bands (ev): -41.2791 -41.2791 -41.2594 -41.2594 -41.0620 -41.0620 -41.0606 -41.0606 -9.7845 -9.7845 -9.7346 -9.7346 -9.7301 -9.7301 -9.7257 -9.7257 -9.3331 -9.3331 -9.3197 -9.3197 -9.2535 -9.2535 -9.2287 -9.2287 -9.1925 -9.1925 -9.1800 -9.1800 -2.8047 -2.8047 1.3770 1.3770 1.8948 1.8948 4.5972 4.5972 4.8032 4.8032 5.1006 5.1006 6.5495 6.5495 8.2075 8.2075 8.5831 8.5831 k = 0.2214 0.4631-0.0000 ( 11326 PWs) bands (ev): -41.2791 -41.2791 -41.2594 -41.2594 -41.0619 -41.0619 -41.0608 -41.0608 -9.7844 -9.7844 -9.7345 -9.7345 -9.7301 -9.7301 -9.7258 -9.7258 -9.3330 -9.3330 -9.3197 -9.3197 -9.2534 -9.2534 -9.2286 -9.2286 -9.1925 -9.1925 -9.1801 -9.1801 -2.7874 -2.7874 1.3222 1.3222 1.8532 1.8532 4.6448 4.6448 4.8524 4.8524 5.1519 5.1519 6.5428 6.5428 8.1401 8.1401 8.4802 8.4802 k = 0.2286 0.4781-0.0000 ( 11318 PWs) bands (ev): -41.2790 -41.2790 -41.2595 -41.2595 -41.0618 -41.0618 -41.0609 -41.0609 -9.7844 -9.7844 -9.7344 -9.7344 -9.7301 -9.7301 -9.7258 -9.7258 -9.3329 -9.3329 -9.3198 -9.3198 -9.2534 -9.2534 -9.2286 -9.2286 -9.1924 -9.1924 -9.1802 -9.1802 -2.7712 -2.7712 1.2664 1.2664 1.8171 1.8171 4.6910 4.6910 4.9073 4.9073 5.2047 5.2047 6.5360 6.5360 8.0791 8.0791 8.3791 8.3791 k = 0.2357 0.4930-0.0000 ( 11326 PWs) bands (ev): -41.2789 -41.2789 -41.2595 -41.2595 -41.0616 -41.0616 -41.0611 -41.0611 -9.7843 -9.7843 -9.7343 -9.7343 -9.7301 -9.7301 -9.7259 -9.7259 -9.3328 -9.3328 -9.3198 -9.3198 -9.2533 -9.2533 -9.2286 -9.2286 -9.1924 -9.1924 -9.1803 -9.1803 -2.7562 -2.7562 1.2101 1.2101 1.7867 1.7867 4.7352 4.7352 4.9676 4.9676 5.2591 5.2591 6.5290 6.5290 8.0252 8.0252 8.2797 8.2797 k = 0.2429 0.5080-0.0000 ( 11322 PWs) bands (ev): -41.2789 -41.2789 -41.2596 -41.2596 -41.0615 -41.0615 -41.0613 -41.0613 -9.7843 -9.7843 -9.7343 -9.7343 -9.7301 -9.7301 -9.7259 -9.7259 -9.3327 -9.3327 -9.3198 -9.3198 -9.2533 -9.2533 -9.2285 -9.2285 -9.1923 -9.1923 -9.1804 -9.1804 -2.7425 -2.7425 1.1534 1.1534 1.7620 1.7620 4.7771 4.7771 5.0331 5.0331 5.3148 5.3148 6.5218 6.5218 7.9787 7.9787 8.1824 8.1824 k = 0.2500 0.5229-0.0000 ( 11326 PWs) bands (ev): -41.2788 -41.2788 -41.2596 -41.2596 -41.0614 -41.0614 -41.0613 -41.0613 -9.7842 -9.7842 -9.7342 -9.7342 -9.7301 -9.7301 -9.7259 -9.7259 -9.3327 -9.3327 -9.3199 -9.3199 -9.2533 -9.2533 -9.2285 -9.2285 -9.1923 -9.1923 -9.1805 -9.1805 -2.7302 -2.7302 1.0966 1.0966 1.7431 1.7431 4.8161 4.8161 5.1037 5.1037 5.3720 5.3720 6.5145 6.5145 7.9403 7.9403 8.0871 8.0871 k = 0.2571 0.5378-0.0000 ( 11330 PWs) bands (ev): -41.2788 -41.2788 -41.2597 -41.2597 -41.0616 -41.0616 -41.0612 -41.0612 -9.7842 -9.7842 -9.7342 -9.7342 -9.7301 -9.7301 -9.7260 -9.7260 -9.3326 -9.3326 -9.3199 -9.3199 -9.2532 -9.2532 -9.2285 -9.2285 -9.1922 -9.1922 -9.1806 -9.1806 -2.7193 -2.7193 1.0400 1.0400 1.7301 1.7301 4.8517 4.8517 5.1790 5.1790 5.4304 5.4304 6.5070 6.5070 7.9103 7.9103 7.9940 7.9940 k = 0.2643 0.5528-0.0000 ( 11340 PWs) bands (ev): -41.2787 -41.2787 -41.2597 -41.2597 -41.0617 -41.0617 -41.0610 -41.0610 -9.7841 -9.7841 -9.7341 -9.7341 -9.7301 -9.7301 -9.7260 -9.7260 -9.3325 -9.3325 -9.3199 -9.3199 -9.2532 -9.2532 -9.2286 -9.2286 -9.1922 -9.1922 -9.1807 -9.1807 -2.7100 -2.7100 0.9836 0.9836 1.7231 1.7231 4.8835 4.8835 5.2590 5.2590 5.4902 5.4902 6.4995 6.4995 7.8891 7.8891 7.9033 7.9033 k = 0.2714 0.5677-0.0000 ( 11350 PWs) bands (ev): -41.2787 -41.2787 -41.2598 -41.2598 -41.0619 -41.0619 -41.0609 -41.0609 -9.7841 -9.7841 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3325 -9.3325 -9.3199 -9.3199 -9.2532 -9.2532 -9.2286 -9.2286 -9.1921 -9.1921 -9.1808 -9.1808 -2.7023 -2.7023 0.9278 0.9278 1.7221 1.7221 4.9110 4.9110 5.3434 5.3434 5.5511 5.5511 6.4918 6.4918 7.8145 7.8145 7.8777 7.8777 k = 0.2786 0.5827-0.0000 ( 11350 PWs) bands (ev): -41.2786 -41.2786 -41.2599 -41.2599 -41.0620 -41.0620 -41.0607 -41.0607 -9.7841 -9.7841 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3324 -9.3324 -9.3199 -9.3199 -9.2532 -9.2532 -9.2287 -9.2287 -9.1921 -9.1921 -9.1809 -9.1809 -2.6961 -2.6961 0.8726 0.8726 1.7270 1.7270 4.9341 4.9341 5.4319 5.4319 5.6133 5.6133 6.4842 6.4842 7.7284 7.7284 7.8756 7.8756 k = 0.2857 0.5976-0.0000 ( 11350 PWs) bands (ev): -41.2786 -41.2786 -41.2599 -41.2599 -41.0621 -41.0621 -41.0606 -41.0606 -9.7840 -9.7840 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3323 -9.3323 -9.3199 -9.3199 -9.2532 -9.2532 -9.2287 -9.2287 -9.1920 -9.1920 -9.1810 -9.1810 -2.6915 -2.6915 0.8182 0.8182 1.7379 1.7379 4.9524 4.9524 5.5244 5.5244 5.6766 5.6766 6.4765 6.4765 7.6447 7.6447 7.8834 7.8834 k = 0.2929 0.6126-0.0000 ( 11358 PWs) bands (ev): -41.2785 -41.2785 -41.2600 -41.2600 -41.0623 -41.0623 -41.0604 -41.0604 -9.7840 -9.7840 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3323 -9.3323 -9.3199 -9.3199 -9.2532 -9.2532 -9.2288 -9.2288 -9.1920 -9.1920 -9.1811 -9.1811 -2.6885 -2.6885 0.7649 0.7649 1.7547 1.7547 4.9660 4.9660 5.6204 5.6204 5.7412 5.7412 6.4689 6.4689 7.5634 7.5634 7.9010 7.9010 k = 0.3000 0.6275-0.0000 ( 11358 PWs) bands (ev): -41.2785 -41.2785 -41.2601 -41.2601 -41.0624 -41.0624 -41.0603 -41.0603 -9.7839 -9.7839 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3322 -9.3322 -9.3198 -9.3198 -9.2532 -9.2532 -9.2289 -9.2289 -9.1919 -9.1919 -9.1812 -9.1812 -2.6870 -2.6870 0.7126 0.7126 1.7773 1.7773 4.9748 4.9748 5.7193 5.7193 5.8073 5.8073 6.4615 6.4615 7.4847 7.4847 7.9285 7.9285 k = 0.3071 0.6424-0.0000 ( 11348 PWs) bands (ev): -41.2785 -41.2785 -41.2601 -41.2601 -41.0625 -41.0625 -41.0601 -41.0601 -9.7839 -9.7839 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3321 -9.3321 -9.3198 -9.3198 -9.2532 -9.2532 -9.2290 -9.2290 -9.1919 -9.1919 -9.1813 -9.1813 -2.6870 -2.6870 0.6614 0.6614 1.8056 1.8056 4.9790 4.9790 5.8190 5.8190 5.8767 5.8767 6.4546 6.4546 7.4086 7.4086 7.9657 7.9657 k = 0.3071 0.6424-0.0000 ( 11348 PWs) bands (ev): -41.2785 -41.2785 -41.2601 -41.2601 -41.0625 -41.0625 -41.0601 -41.0601 -9.7839 -9.7839 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3321 -9.3321 -9.3198 -9.3198 -9.2532 -9.2532 -9.2290 -9.2290 -9.1919 -9.1919 -9.1813 -9.1813 -2.6870 -2.6870 0.6614 0.6614 1.8056 1.8056 4.9790 4.9790 5.8190 5.8190 5.8767 5.8767 6.4546 6.4546 7.4086 7.4086 7.9657 7.9657 k = 0.2910 0.6424-0.0000 ( 11349 PWs) bands (ev): -41.2785 -41.2785 -41.2601 -41.2601 -41.0625 -41.0625 -41.0602 -41.0602 -9.7839 -9.7839 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3322 -9.3322 -9.3198 -9.3198 -9.2532 -9.2532 -9.2290 -9.2290 -9.1919 -9.1919 -9.1813 -9.1813 -2.6872 -2.6872 0.6833 0.6833 1.7951 1.7951 4.9767 4.9767 5.6905 5.6905 5.9336 5.9336 6.4576 6.4576 7.4378 7.4378 7.9558 7.9558 k = 0.2748 0.6424-0.0000 ( 11344 PWs) bands (ev): -41.2785 -41.2785 -41.2601 -41.2601 -41.0624 -41.0624 -41.0602 -41.0602 -9.7839 -9.7839 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3322 -9.3322 -9.3198 -9.3198 -9.2532 -9.2532 -9.2289 -9.2289 -9.1919 -9.1919 -9.1812 -9.1812 -2.6881 -2.6881 0.7059 0.7059 1.7902 1.7902 4.9716 4.9716 5.5405 5.5405 6.0130 6.0130 6.4610 6.4610 7.4597 7.4597 7.9638 7.9638 k = 0.2586 0.6424-0.0000 ( 11341 PWs) bands (ev): -41.2785 -41.2785 -41.2600 -41.2600 -41.0624 -41.0624 -41.0603 -41.0603 -9.7840 -9.7840 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3322 -9.3322 -9.3198 -9.3198 -9.2532 -9.2532 -9.2289 -9.2289 -9.1920 -9.1920 -9.1812 -9.1812 -2.6897 -2.6897 0.7285 0.7285 1.7912 1.7912 4.9642 4.9642 5.3907 5.3907 6.0932 6.0932 6.4652 6.4652 7.4710 7.4710 7.9925 7.9925 k = 0.2425 0.6424-0.0000 ( 11349 PWs) bands (ev): -41.2785 -41.2785 -41.2600 -41.2600 -41.0623 -41.0623 -41.0604 -41.0604 -9.7840 -9.7840 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3323 -9.3323 -9.3199 -9.3199 -9.2532 -9.2532 -9.2288 -9.2288 -9.1920 -9.1920 -9.1811 -9.1811 -2.6919 -2.6919 0.7505 0.7505 1.7987 1.7987 4.9543 4.9543 5.2429 5.2429 6.1723 6.1723 6.4711 6.4711 7.4715 7.4715 8.0417 8.0417 k = 0.2263 0.6424-0.0000 ( 11347 PWs) bands (ev): -41.2786 -41.2786 -41.2600 -41.2600 -41.0623 -41.0623 -41.0604 -41.0604 -9.7840 -9.7840 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3323 -9.3323 -9.3199 -9.3199 -9.2532 -9.2532 -9.2288 -9.2288 -9.1920 -9.1920 -9.1811 -9.1811 -2.6946 -2.6946 0.7714 0.7714 1.8128 1.8128 4.9409 4.9409 5.0993 5.0993 6.2479 6.2479 6.4806 6.4806 7.4633 7.4633 8.1089 8.1089 k = 0.2102 0.6424-0.0000 ( 11345 PWs) bands (ev): -41.2786 -41.2786 -41.2599 -41.2599 -41.0622 -41.0622 -41.0605 -41.0605 -9.7840 -9.7840 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3323 -9.3323 -9.3199 -9.3199 -9.2532 -9.2532 -9.2288 -9.2288 -9.1920 -9.1920 -9.1810 -9.1810 -2.6976 -2.6976 0.7906 0.7906 1.8338 1.8338 4.9077 4.9077 4.9771 4.9771 6.3153 6.3153 6.4980 6.4980 7.4491 7.4491 8.1907 8.1907 k = 0.1940 0.6424-0.0000 ( 11340 PWs) bands (ev): -41.2786 -41.2786 -41.2599 -41.2599 -41.0621 -41.0621 -41.0606 -41.0606 -9.7840 -9.7840 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3324 -9.3324 -9.3199 -9.3199 -9.2532 -9.2532 -9.2287 -9.2287 -9.1920 -9.1920 -9.1810 -9.1810 -2.7008 -2.7008 0.8077 0.8077 1.8617 1.8617 4.7955 4.7955 4.9362 4.9362 6.3666 6.3666 6.5312 6.5312 7.4317 7.4317 8.2842 8.2842 k = 0.1778 0.6424-0.0000 ( 11341 PWs) bands (ev): -41.2786 -41.2786 -41.2599 -41.2599 -41.0621 -41.0621 -41.0606 -41.0606 -9.7841 -9.7841 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3324 -9.3324 -9.3199 -9.3199 -9.2532 -9.2532 -9.2287 -9.2287 -9.1920 -9.1920 -9.1809 -9.1809 -2.7042 -2.7042 0.8225 0.8225 1.8961 1.8961 4.6612 4.6612 4.9206 4.9206 6.3969 6.3969 6.5843 6.5843 7.4127 7.4127 8.3872 8.3872 k = 0.1617 0.6424-0.0000 ( 11334 PWs) bands (ev): -41.2787 -41.2787 -41.2598 -41.2598 -41.0620 -41.0620 -41.0607 -41.0607 -9.7841 -9.7841 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3324 -9.3324 -9.3199 -9.3199 -9.2532 -9.2532 -9.2287 -9.2287 -9.1921 -9.1921 -9.1809 -9.1809 -2.7076 -2.7076 0.8350 0.8350 1.9368 1.9368 4.5279 4.5279 4.9080 4.9080 6.4122 6.4122 6.6510 6.6510 7.3936 7.3936 8.4982 8.4982 k = 0.1455 0.6424-0.0000 ( 11337 PWs) bands (ev): -41.2787 -41.2787 -41.2598 -41.2598 -41.0620 -41.0620 -41.0608 -41.0608 -9.7841 -9.7841 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3325 -9.3325 -9.3199 -9.3199 -9.2532 -9.2532 -9.2286 -9.2286 -9.1921 -9.1921 -9.1808 -9.1808 -2.7110 -2.7110 0.8452 0.8452 1.9828 1.9828 4.3985 4.3985 4.8965 4.8965 6.4201 6.4201 6.7231 6.7231 7.3750 7.3750 8.6159 8.6159 k = 0.1293 0.6424-0.0000 ( 11337 PWs) bands (ev): -41.2787 -41.2787 -41.2598 -41.2598 -41.0619 -41.0619 -41.0608 -41.0608 -9.7841 -9.7841 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3325 -9.3325 -9.3199 -9.3199 -9.2532 -9.2532 -9.2286 -9.2286 -9.1921 -9.1921 -9.1808 -9.1808 -2.7143 -2.7143 0.8534 0.8534 2.0332 2.0332 4.2743 4.2743 4.8859 4.8859 6.4245 6.4245 6.7960 6.7960 7.3575 7.3575 8.7395 8.7395 k = 0.1132 0.6424-0.0000 ( 11334 PWs) bands (ev): -41.2787 -41.2787 -41.2597 -41.2597 -41.0618 -41.0618 -41.0609 -41.0609 -9.7842 -9.7842 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3325 -9.3325 -9.3199 -9.3199 -9.2532 -9.2532 -9.2286 -9.2286 -9.1921 -9.1921 -9.1808 -9.1808 -2.7173 -2.7173 0.8597 0.8597 2.0867 2.0867 4.1564 4.1564 4.8763 4.8763 6.4271 6.4271 6.8670 6.8670 7.3416 7.3416 8.8682 8.8682 k = 0.0970 0.6424-0.0000 ( 11325 PWs) bands (ev): -41.2788 -41.2788 -41.2597 -41.2597 -41.0618 -41.0618 -41.0610 -41.0610 -9.7842 -9.7842 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3325 -9.3325 -9.3199 -9.3199 -9.2532 -9.2532 -9.2286 -9.2286 -9.1921 -9.1921 -9.1807 -9.1807 -2.7201 -2.7201 0.8646 0.8646 2.1418 2.1418 4.0462 4.0462 4.8677 4.8677 6.4286 6.4286 6.9341 6.9341 7.3275 7.3275 9.0013 9.0013 k = 0.0808 0.6424-0.0000 ( 11321 PWs) bands (ev): -41.2788 -41.2788 -41.2597 -41.2597 -41.0617 -41.0617 -41.0610 -41.0610 -9.7842 -9.7842 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3326 -9.3326 -9.3199 -9.3199 -9.2532 -9.2532 -9.2286 -9.2286 -9.1921 -9.1921 -9.1807 -9.1807 -2.7226 -2.7226 0.8681 0.8681 2.1963 2.1963 3.9456 3.9456 4.8602 4.8602 6.4295 6.4295 6.9956 6.9956 7.3153 7.3153 9.0462 9.0462 k = 0.0647 0.6424-0.0000 ( 11319 PWs) bands (ev): -41.2788 -41.2788 -41.2597 -41.2597 -41.0616 -41.0616 -41.0611 -41.0611 -9.7842 -9.7842 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3326 -9.3326 -9.3200 -9.3200 -9.2533 -9.2533 -9.2285 -9.2285 -9.1921 -9.1921 -9.1807 -9.1807 -2.7246 -2.7246 0.8707 0.8707 2.2478 2.2478 3.8566 3.8566 4.8540 4.8540 6.4301 6.4301 7.0497 7.0497 7.3051 7.3051 8.9930 8.9930 k = 0.0485 0.6424-0.0000 ( 11321 PWs) bands (ev): -41.2788 -41.2788 -41.2596 -41.2596 -41.0616 -41.0616 -41.0612 -41.0612 -9.7842 -9.7842 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3326 -9.3326 -9.3200 -9.3200 -9.2533 -9.2533 -9.2285 -9.2285 -9.1921 -9.1921 -9.1807 -9.1807 -2.7263 -2.7263 0.8724 0.8724 2.2934 2.2934 3.7822 3.7822 4.8490 4.8490 6.4304 6.4304 7.0945 7.0945 7.2972 7.2972 8.9485 8.9485 k = 0.0323 0.6424-0.0000 ( 11330 PWs) bands (ev): -41.2788 -41.2788 -41.2596 -41.2596 -41.0615 -41.0615 -41.0612 -41.0612 -9.7842 -9.7842 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3326 -9.3326 -9.3200 -9.3200 -9.2533 -9.2533 -9.2285 -9.2285 -9.1921 -9.1921 -9.1806 -9.1806 -2.7275 -2.7275 0.8735 0.8735 2.3296 2.3296 3.7255 3.7255 4.8454 4.8454 6.4306 6.4306 7.1281 7.1281 7.2915 7.2915 8.9150 8.9150 k = 0.0162 0.6424-0.0000 ( 11324 PWs) bands (ev): -41.2788 -41.2788 -41.2596 -41.2596 -41.0615 -41.0615 -41.0613 -41.0613 -9.7842 -9.7842 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3326 -9.3326 -9.3200 -9.3200 -9.2533 -9.2533 -9.2285 -9.2285 -9.1921 -9.1921 -9.1806 -9.1806 -2.7282 -2.7282 0.8742 0.8742 2.3531 2.3531 3.6898 3.6898 4.8433 4.8433 6.4307 6.4307 7.1491 7.1491 7.2880 7.2880 8.8941 8.8941 k = 0.0000 0.6424-0.0000 ( 11320 PWs) bands (ev): -41.2788 -41.2788 -41.2596 -41.2596 -41.0614 -41.0614 -41.0613 -41.0613 -9.7842 -9.7842 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3326 -9.3326 -9.3200 -9.3200 -9.2533 -9.2533 -9.2285 -9.2285 -9.1921 -9.1921 -9.1806 -9.1806 -2.7285 -2.7285 0.8744 0.8744 2.3612 2.3612 3.6775 3.6775 4.8426 4.8426 6.4307 6.4307 7.1562 7.1562 7.2869 7.2869 8.8869 8.8869 k = 0.0000 0.6424-0.0000 ( 11320 PWs) bands (ev): -41.2788 -41.2788 -41.2596 -41.2596 -41.0614 -41.0614 -41.0613 -41.0613 -9.7842 -9.7842 -9.7341 -9.7341 -9.7303 -9.7303 -9.7259 -9.7259 -9.3326 -9.3326 -9.3200 -9.3200 -9.2533 -9.2533 -9.2285 -9.2285 -9.1921 -9.1921 -9.1806 -9.1806 -2.7285 -2.7285 0.8744 0.8744 2.3612 2.3612 3.6775 3.6775 4.8426 4.8426 6.4307 6.4307 7.1562 7.1562 7.2869 7.2869 8.8869 8.8869 k = 0.0000 0.6424 0.0168 ( 11318 PWs) bands (ev): -41.2788 -41.2788 -41.2596 -41.2596 -41.0614 -41.0614 -41.0613 -41.0613 -9.7842 -9.7842 -9.7344 -9.7344 -9.7301 -9.7301 -9.7258 -9.7258 -9.3326 -9.3326 -9.3200 -9.3200 -9.2532 -9.2532 -9.2286 -9.2286 -9.1924 -9.1924 -9.1803 -9.1803 -2.7270 -2.7270 0.8748 0.8748 2.3612 2.3612 3.6780 3.6780 4.8209 4.8209 6.4558 6.4558 7.0612 7.0612 7.3820 7.3820 8.8852 8.8852 k = 0.0000 0.6424 0.0337 ( 11328 PWs) bands (ev): -41.2788 -41.2788 -41.2597 -41.2597 -41.0614 -41.0614 -41.0613 -41.0613 -9.7843 -9.7843 -9.7351 -9.7351 -9.7297 -9.7297 -9.7254 -9.7254 -9.3324 -9.3324 -9.3200 -9.3200 -9.2531 -9.2531 -9.2289 -9.2289 -9.1932 -9.1932 -9.1793 -9.1793 -2.7227 -2.7227 0.8761 0.8761 2.3612 2.3612 3.6792 3.6792 4.7598 4.7598 6.5271 6.5271 6.9218 6.9218 7.5217 7.5217 8.8802 8.8802 k = 0.0000 0.6424 0.0505 ( 11328 PWs) bands (ev): -41.2787 -41.2787 -41.2597 -41.2597 -41.0614 -41.0614 -41.0613 -41.0613 -9.7844 -9.7844 -9.7360 -9.7360 -9.7293 -9.7293 -9.7249 -9.7249 -9.3323 -9.3323 -9.3200 -9.3200 -9.2528 -9.2528 -9.2294 -9.2294 -9.1942 -9.1942 -9.1780 -9.1780 -2.7155 -2.7155 0.8781 0.8781 2.3611 2.3611 3.6813 3.6813 4.6685 4.6685 6.6344 6.6344 6.7794 6.7794 7.6653 7.6653 8.8718 8.8718 k = 0.0000 0.6424 0.0673 ( 11324 PWs) bands (ev): -41.2787 -41.2787 -41.2597 -41.2597 -41.0614 -41.0614 -41.0613 -41.0613 -9.7845 -9.7845 -9.7370 -9.7370 -9.7290 -9.7290 -9.7241 -9.7241 -9.3320 -9.3320 -9.3201 -9.3201 -9.2525 -9.2525 -9.2300 -9.2300 -9.1954 -9.1954 -9.1764 -9.1764 -2.7055 -2.7055 0.8808 0.8808 2.3607 2.3607 3.6841 3.6841 4.5571 4.5571 6.6317 6.6317 6.7732 6.7732 7.8095 7.8095 8.8603 8.8603 k = 0.0000 0.6424 0.0842 ( 11318 PWs) bands (ev): -41.2786 -41.2786 -41.2598 -41.2598 -41.0615 -41.0615 -41.0613 -41.0613 -9.7846 -9.7846 -9.7381 -9.7381 -9.7288 -9.7288 -9.7232 -9.7232 -9.3317 -9.3317 -9.3201 -9.3201 -9.2520 -9.2520 -9.2308 -9.2308 -9.1966 -9.1966 -9.1748 -9.1748 -2.6926 -2.6926 0.8841 0.8841 2.3598 2.3598 3.6878 3.6878 4.4338 4.4338 6.4892 6.4892 6.9253 6.9253 7.9532 7.9532 8.8463 8.8463 k = 0.0000 0.6424 0.1010 ( 11314 PWs) bands (ev): -41.2784 -41.2784 -41.2599 -41.2599 -41.0615 -41.0615 -41.0613 -41.0613 -9.7848 -9.7848 -9.7392 -9.7392 -9.7285 -9.7285 -9.7223 -9.7223 -9.3313 -9.3313 -9.3202 -9.3202 -9.2515 -9.2515 -9.2318 -9.2318 -9.1977 -9.1977 -9.1730 -9.1730 -2.6768 -2.6768 0.8877 0.8877 2.3580 2.3580 3.6921 3.6921 4.3047 4.3047 6.3463 6.3463 7.0898 7.0898 8.0959 8.0959 8.8305 8.8305 k = 0.0000 0.6424 0.1178 ( 11320 PWs) bands (ev): -41.2783 -41.2783 -41.2600 -41.2600 -41.0615 -41.0615 -41.0614 -41.0614 -9.7849 -9.7849 -9.7403 -9.7403 -9.7284 -9.7284 -9.7213 -9.7213 -9.3309 -9.3309 -9.3203 -9.3203 -9.2509 -9.2509 -9.2329 -9.2329 -9.1988 -9.1988 -9.1713 -9.1713 -2.6581 -2.6581 0.8913 0.8913 2.3552 2.3552 3.6970 3.6970 4.1742 4.1742 6.2042 6.2042 7.2600 7.2600 8.2373 8.2373 8.8149 8.8149 k = 0.0000 0.6424 0.1346 ( 11316 PWs) bands (ev): -41.2782 -41.2782 -41.2601 -41.2601 -41.0615 -41.0615 -41.0614 -41.0614 -9.7851 -9.7851 -9.7414 -9.7414 -9.7282 -9.7282 -9.7204 -9.7204 -9.3304 -9.3304 -9.3203 -9.3203 -9.2503 -9.2503 -9.2341 -9.2341 -9.1997 -9.1997 -9.1696 -9.1696 -2.6366 -2.6366 0.8947 0.8947 2.3506 2.3506 3.7024 3.7024 4.0459 4.0459 6.0631 6.0631 7.4302 7.4302 8.3768 8.3768 8.8024 8.8024 k = 0.0000 0.6424 0.1515 ( 11316 PWs) bands (ev): -41.2780 -41.2780 -41.2603 -41.2603 -41.0615 -41.0615 -41.0614 -41.0614 -9.7852 -9.7852 -9.7425 -9.7425 -9.7280 -9.7280 -9.7194 -9.7194 -9.3298 -9.3298 -9.3204 -9.3204 -9.2496 -9.2496 -9.2354 -9.2354 -9.2006 -9.2006 -9.1679 -9.1679 -2.6122 -2.6122 0.8974 0.8974 2.3439 2.3439 3.7079 3.7079 3.9228 3.9228 5.9233 5.9233 7.5934 7.5934 8.5139 8.5139 8.7983 8.7983 k = 0.0000 0.6424 0.1683 ( 11320 PWs) bands (ev): -41.2778 -41.2778 -41.2604 -41.2604 -41.0615 -41.0615 -41.0614 -41.0614 -9.7854 -9.7854 -9.7435 -9.7435 -9.7278 -9.7278 -9.7186 -9.7186 -9.3293 -9.3293 -9.3204 -9.3204 -9.2489 -9.2489 -9.2367 -9.2367 -9.2013 -9.2013 -9.1663 -9.1663 -2.5850 -2.5850 0.8988 0.8988 2.3344 2.3344 3.7117 3.7117 3.8089 3.8089 5.7848 5.7848 7.7403 7.7403 8.6448 8.6448 8.7641 8.7641 k = 0.0000 0.6424 0.1851 ( 11320 PWs) bands (ev): -41.2776 -41.2776 -41.2606 -41.2606 -41.0615 -41.0615 -41.0614 -41.0614 -9.7855 -9.7855 -9.7446 -9.7446 -9.7277 -9.7277 -9.7177 -9.7177 -9.3287 -9.3287 -9.3204 -9.3204 -9.2482 -9.2482 -9.2380 -9.2380 -9.2018 -9.2018 -9.1648 -9.1648 -2.5548 -2.5548 0.8983 0.8983 2.3216 2.3216 3.6833 3.6833 3.7367 3.7367 5.6478 5.6478 7.8589 7.8589 8.6276 8.6276 8.7858 8.7858 k = 0.0000 0.6424 0.2020 ( 11326 PWs) bands (ev): -41.2774 -41.2774 -41.2607 -41.2607 -41.0616 -41.0616 -41.0614 -41.0614 -9.7857 -9.7857 -9.7456 -9.7456 -9.7275 -9.7275 -9.7170 -9.7170 -9.3282 -9.3282 -9.3204 -9.3204 -9.2477 -9.2477 -9.2393 -9.2393 -9.2022 -9.2022 -9.1634 -9.1634 -2.5218 -2.5218 0.8950 0.8950 2.3051 2.3051 3.5947 3.5947 3.7358 3.7358 5.5123 5.5123 7.9383 7.9383 8.5058 8.5058 8.9035 8.9035 k = 0.0000 0.6424 0.2188 ( 11336 PWs) bands (ev): -41.2771 -41.2771 -41.2609 -41.2609 -41.0616 -41.0616 -41.0615 -41.0615 -9.7858 -9.7858 -9.7467 -9.7467 -9.7273 -9.7273 -9.7163 -9.7163 -9.3277 -9.3277 -9.3203 -9.3203 -9.2473 -9.2473 -9.2403 -9.2403 -9.2025 -9.2025 -9.1621 -9.1621 -2.4860 -2.4860 0.8881 0.8881 2.2849 2.2849 3.5114 3.5114 3.7423 3.7423 5.3786 5.3786 7.9754 7.9754 8.3843 8.3843 9.0259 9.0259 k = 0.0000 0.6424 0.2356 ( 11328 PWs) bands (ev): -41.2769 -41.2769 -41.2611 -41.2611 -41.0616 -41.0616 -41.0615 -41.0615 -9.7858 -9.7858 -9.7477 -9.7477 -9.7271 -9.7271 -9.7156 -9.7156 -9.3272 -9.3272 -9.3202 -9.3202 -9.2473 -9.2473 -9.2410 -9.2410 -9.2027 -9.2027 -9.1609 -9.1609 -2.4472 -2.4472 0.8763 0.8763 2.2614 2.2614 3.4405 3.4405 3.7497 3.7497 5.2465 5.2465 7.9769 7.9769 8.2655 8.2655 9.1585 9.1585 k = 0.0000 0.6424 0.2525 ( 11324 PWs) bands (ev): -41.2766 -41.2766 -41.2614 -41.2614 -41.0616 -41.0616 -41.0615 -41.0615 -9.7858 -9.7858 -9.7487 -9.7487 -9.7268 -9.7268 -9.7151 -9.7151 -9.3268 -9.3268 -9.3199 -9.3199 -9.2478 -9.2478 -9.2411 -9.2411 -9.2027 -9.2027 -9.1599 -9.1599 -2.4057 -2.4057 0.8586 0.8586 2.2357 2.2357 3.3831 3.3831 3.7574 3.7574 5.1163 5.1163 7.9529 7.9529 8.1498 8.1498 9.2866 9.2866 k = 0.0000 0.6424 0.2693 ( 11328 PWs) bands (ev): -41.2763 -41.2763 -41.2616 -41.2616 -41.0616 -41.0616 -41.0615 -41.0615 -9.7858 -9.7858 -9.7497 -9.7497 -9.7266 -9.7266 -9.7146 -9.7146 -9.3265 -9.3265 -9.3197 -9.3197 -9.2486 -9.2486 -9.2409 -9.2409 -9.2025 -9.2025 -9.1590 -9.1590 -2.3612 -2.3612 0.8337 0.8337 2.2094 2.2094 3.3389 3.3389 3.7650 3.7650 4.9880 4.9880 7.9123 7.9123 8.0377 8.0377 9.4088 9.4088 k = 0.0000 0.6424 0.2861 ( 11322 PWs) bands (ev): -41.2760 -41.2760 -41.2618 -41.2618 -41.0617 -41.0617 -41.0616 -41.0616 -9.7857 -9.7857 -9.7507 -9.7507 -9.7263 -9.7263 -9.7143 -9.7143 -9.3262 -9.3262 -9.3193 -9.3193 -9.2495 -9.2495 -9.2406 -9.2406 -9.2022 -9.2022 -9.1582 -9.1582 -2.3140 -2.3140 0.8004 0.8004 2.1847 2.1847 3.3073 3.3073 3.7723 3.7723 4.8617 4.8617 7.8608 7.8608 7.9298 7.9298 9.5269 9.5269 k = 0.0000 0.6424 0.3029 ( 11328 PWs) bands (ev): -41.2757 -41.2757 -41.2621 -41.2621 -41.0617 -41.0617 -41.0616 -41.0616 -9.7855 -9.7855 -9.7517 -9.7517 -9.7261 -9.7261 -9.7140 -9.7140 -9.3260 -9.3260 -9.3189 -9.3189 -9.2506 -9.2506 -9.2401 -9.2401 -9.2017 -9.2017 -9.1576 -9.1576 -2.2639 -2.2639 0.7580 0.7580 2.1637 2.1637 3.2868 3.2868 3.7790 3.7790 4.7375 4.7375 7.8019 7.8019 7.8268 7.8268 9.6416 9.6416 k = 0.0000 0.6424 0.3198 ( 11330 PWs) bands (ev): -41.2754 -41.2754 -41.2624 -41.2624 -41.0617 -41.0617 -41.0616 -41.0616 -9.7853 -9.7853 -9.7527 -9.7527 -9.7258 -9.7258 -9.7137 -9.7137 -9.3259 -9.3259 -9.3185 -9.3185 -9.2515 -9.2515 -9.2397 -9.2397 -9.2011 -9.2011 -9.1572 -9.1572 -2.2109 -2.2109 0.7060 0.7060 2.1484 2.1484 3.2761 3.2761 3.7850 3.7850 4.6155 4.6155 7.7237 7.7237 7.7437 7.7437 9.7536 9.7536 k = 0.0000 0.6424 0.3366 ( 11330 PWs) bands (ev): -41.2750 -41.2750 -41.2627 -41.2627 -41.0617 -41.0617 -41.0616 -41.0616 -9.7850 -9.7850 -9.7538 -9.7538 -9.7255 -9.7255 -9.7136 -9.7136 -9.3258 -9.3258 -9.3182 -9.3182 -9.2524 -9.2524 -9.2393 -9.2393 -9.2003 -9.2003 -9.1569 -9.1569 -2.1552 -2.1552 0.6444 0.6444 2.1402 2.1402 3.2738 3.2738 3.7900 3.7900 4.4958 4.4958 7.6304 7.6304 7.6783 7.6783 9.8629 9.8629 k = 0.0000 0.6424 0.3534 ( 11334 PWs) bands (ev): -41.2747 -41.2747 -41.2630 -41.2630 -41.0617 -41.0617 -41.0617 -41.0617 -9.7847 -9.7847 -9.7548 -9.7548 -9.7252 -9.7252 -9.7136 -9.7136 -9.3257 -9.3257 -9.3178 -9.3178 -9.2531 -9.2531 -9.2390 -9.2390 -9.1993 -9.1993 -9.1567 -9.1567 -2.0966 -2.0966 0.5738 0.5738 2.1399 2.1399 3.2784 3.2784 3.7936 3.7936 4.3787 4.3787 7.5411 7.5411 7.6130 7.6130 9.9699 9.9699 k = 0.0000 0.6424 0.3703 ( 11332 PWs) bands (ev): -41.2743 -41.2743 -41.2633 -41.2633 -41.0618 -41.0618 -41.0617 -41.0617 -9.7843 -9.7843 -9.7559 -9.7559 -9.7249 -9.7249 -9.7136 -9.7136 -9.3256 -9.3256 -9.3175 -9.3175 -9.2537 -9.2537 -9.2389 -9.2389 -9.1981 -9.1981 -9.1568 -9.1568 -2.0353 -2.0353 0.4951 0.4951 2.1477 2.1477 3.2889 3.2889 3.7954 3.7954 4.2644 4.2644 7.4570 7.4570 7.5480 7.5480 10.0749 10.0749 k = 0.0000 0.6424 0.3871 ( 11328 PWs) bands (ev): -41.2739 -41.2739 -41.2636 -41.2636 -41.0618 -41.0618 -41.0617 -41.0617 -9.7838 -9.7838 -9.7569 -9.7569 -9.7245 -9.7245 -9.7137 -9.7137 -9.3255 -9.3255 -9.3173 -9.3173 -9.2541 -9.2541 -9.2388 -9.2388 -9.1968 -9.1968 -9.1569 -9.1569 -1.9711 -1.9711 0.4094 0.4094 2.1634 2.1634 3.3041 3.3041 3.7945 3.7945 4.1536 4.1536 7.3784 7.3784 7.4838 7.4838 10.1779 10.1779 k = 0.0000 0.6424 0.4039 ( 11334 PWs) bands (ev): -41.2735 -41.2735 -41.2639 -41.2639 -41.0618 -41.0618 -41.0617 -41.0617 -9.7832 -9.7832 -9.7580 -9.7580 -9.7242 -9.7242 -9.7138 -9.7138 -9.3253 -9.3253 -9.3172 -9.3172 -9.2544 -9.2544 -9.2389 -9.2389 -9.1953 -9.1953 -9.1573 -9.1573 -1.9043 -1.9043 0.3181 0.3181 2.1866 2.1866 3.3232 3.3232 3.7892 3.7892 4.0478 4.0478 7.3057 7.3057 7.4211 7.4211 10.2792 10.2792 k = 0.0000 0.6424 0.4208 ( 11330 PWs) bands (ev): -41.2732 -41.2732 -41.2643 -41.2643 -41.0618 -41.0618 -41.0618 -41.0618 -9.7826 -9.7826 -9.7591 -9.7591 -9.7238 -9.7238 -9.7140 -9.7140 -9.3252 -9.3252 -9.3172 -9.3172 -9.2544 -9.2544 -9.2392 -9.2392 -9.1937 -9.1937 -9.1578 -9.1578 -1.8347 -1.8347 0.2222 0.2222 2.2167 2.2167 3.3455 3.3455 3.7750 3.7750 3.9516 3.9516 7.2390 7.2390 7.3605 7.3605 10.3702 10.3702 k = 0.0000 0.6424 0.4376 ( 11328 PWs) bands (ev): -41.2728 -41.2728 -41.2646 -41.2646 -41.0618 -41.0618 -41.0618 -41.0618 -9.7819 -9.7819 -9.7602 -9.7602 -9.7234 -9.7234 -9.7143 -9.7143 -9.3250 -9.3250 -9.3173 -9.3173 -9.2544 -9.2544 -9.2395 -9.2395 -9.1920 -9.1920 -9.1584 -9.1584 -1.7623 -1.7623 0.1229 0.1229 2.2531 2.2531 3.3703 3.3703 3.7390 3.7390 3.8776 3.8776 7.1786 7.1786 7.3024 7.3024 10.4348 10.4348 k = 0.0000 0.6424 0.4544 ( 11326 PWs) bands (ev): -41.2724 -41.2724 -41.2650 -41.2650 -41.0619 -41.0619 -41.0618 -41.0618 -9.7811 -9.7811 -9.7614 -9.7614 -9.7230 -9.7230 -9.7146 -9.7146 -9.3248 -9.3248 -9.3174 -9.3174 -9.2541 -9.2541 -9.2399 -9.2399 -9.1901 -9.1901 -9.1592 -9.1592 -1.6874 -1.6874 0.0212 0.0212 2.2953 2.2953 3.3969 3.3969 3.6696 3.6696 3.8375 3.8375 7.1247 7.1247 7.2473 7.2473 10.5003 10.5003 k = 0.0000 0.6424 0.4712 ( 11322 PWs) bands (ev): -41.2719 -41.2719 -41.2654 -41.2654 -41.0619 -41.0619 -41.0618 -41.0618 -9.7803 -9.7803 -9.7625 -9.7625 -9.7225 -9.7225 -9.7150 -9.7150 -9.3246 -9.3246 -9.3177 -9.3177 -9.2537 -9.2537 -9.2405 -9.2405 -9.1882 -9.1882 -9.1602 -9.1602 -1.6098 -1.6098 -0.0821 -0.0821 2.3427 2.3427 3.4248 3.4248 3.5815 3.5815 3.8165 3.8165 7.0774 7.0774 7.1955 7.1955 10.5682 10.5682 k = 0.0000 0.6424 0.4881 ( 11328 PWs) bands (ev): -41.2715 -41.2715 -41.2657 -41.2657 -41.0619 -41.0619 -41.0618 -41.0618 -9.7794 -9.7794 -9.7637 -9.7637 -9.7221 -9.7221 -9.7153 -9.7153 -9.3243 -9.3243 -9.3180 -9.3180 -9.2532 -9.2532 -9.2411 -9.2411 -9.1863 -9.1863 -9.1613 -9.1613 -1.5296 -1.5296 -0.1863 -0.1863 2.3950 2.3950 3.4498 3.4498 3.4921 3.4921 3.8008 3.8008 7.0368 7.0368 7.1474 7.1474 10.6386 10.6386 k = 0.0000 0.6424 0.5049 ( 11326 PWs) bands (ev): -41.2711 -41.2711 -41.2661 -41.2661 -41.0619 -41.0619 -41.0618 -41.0618 -9.7785 -9.7785 -9.7649 -9.7649 -9.7217 -9.7217 -9.7158 -9.7158 -9.3240 -9.3240 -9.3184 -9.3184 -9.2526 -9.2526 -9.2419 -9.2419 -9.1842 -9.1842 -9.1625 -9.1625 -1.4468 -1.4468 -0.2908 -0.2908 2.4516 2.4516 3.3901 3.3901 3.4879 3.4879 3.7856 3.7856 7.0031 7.0031 7.1034 7.1034 10.7115 10.7115 k = 0.0000 0.6424 0.5217 ( 11312 PWs) bands (ev): -41.2707 -41.2707 -41.2665 -41.2665 -41.0619 -41.0619 -41.0619 -41.0619 -9.7775 -9.7775 -9.7661 -9.7661 -9.7212 -9.7212 -9.7162 -9.7162 -9.3236 -9.3236 -9.3188 -9.3188 -9.2518 -9.2518 -9.2427 -9.2427 -9.1822 -9.1822 -9.1638 -9.1638 -1.3616 -1.3616 -0.3951 -0.3951 2.5123 2.5123 3.2985 3.2985 3.5171 3.5171 3.7694 3.7694 6.9762 6.9762 7.0638 7.0638 10.7871 10.7871 k = 0.0000 0.6424 0.5386 ( 11316 PWs) bands (ev): -41.2703 -41.2703 -41.2669 -41.2669 -41.0619 -41.0619 -41.0619 -41.0619 -9.7765 -9.7765 -9.7673 -9.7673 -9.7207 -9.7207 -9.7167 -9.7167 -9.3232 -9.3232 -9.3193 -9.3193 -9.2510 -9.2510 -9.2435 -9.2435 -9.1802 -9.1802 -9.1653 -9.1653 -1.2740 -1.2740 -0.4987 -0.4987 2.5769 2.5769 3.2079 3.2079 3.5471 3.5471 3.7515 3.7515 6.9563 6.9563 7.0290 7.0290 10.8651 10.8651 k = 0.0000 0.6424 0.5554 ( 11320 PWs) bands (ev): -41.2698 -41.2698 -41.2673 -41.2673 -41.0619 -41.0619 -41.0619 -41.0619 -9.7754 -9.7754 -9.7685 -9.7685 -9.7202 -9.7202 -9.7172 -9.7172 -9.3228 -9.3228 -9.3198 -9.3198 -9.2501 -9.2501 -9.2444 -9.2444 -9.1781 -9.1781 -9.1669 -9.1669 -1.1840 -1.1840 -0.6014 -0.6014 2.6450 2.6450 3.1193 3.1193 3.5769 3.5769 3.7316 3.7316 6.9431 6.9431 6.9993 6.9993 10.9457 10.9457 k = 0.0000 0.6424 0.5722 ( 11328 PWs) bands (ev): -41.2694 -41.2694 -41.2677 -41.2677 -41.0619 -41.0619 -41.0619 -41.0619 -9.7743 -9.7743 -9.7697 -9.7697 -9.7197 -9.7197 -9.7177 -9.7177 -9.3223 -9.3223 -9.3203 -9.3203 -9.2492 -9.2492 -9.2454 -9.2454 -9.1761 -9.1761 -9.1686 -9.1686 -1.0918 -1.0918 -0.7029 -0.7029 2.7165 2.7165 3.0332 3.0332 3.6060 3.6060 3.7099 3.7099 6.9367 6.9367 6.9749 6.9749 11.0286 11.0286 k = 0.0000 0.6424 0.5891 ( 11326 PWs) bands (ev): -41.2690 -41.2690 -41.2682 -41.2682 -41.0619 -41.0619 -41.0619 -41.0619 -9.7732 -9.7732 -9.7708 -9.7708 -9.7192 -9.7192 -9.7182 -9.7182 -9.3218 -9.3218 -9.3208 -9.3208 -9.2483 -9.2483 -9.2463 -9.2463 -9.1741 -9.1741 -9.1704 -9.1704 -0.9974 -0.9974 -0.8028 -0.8028 2.7913 2.7913 2.9498 2.9498 3.6341 3.6341 3.6863 3.6863 6.9369 6.9369 6.9562 6.9562 11.1138 11.1138 k = 0.0000 0.6424 0.6059 ( 11328 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7187 -9.7187 -9.7187 -9.7187 -9.3213 -9.3213 -9.3213 -9.3213 -9.2473 -9.2473 -9.2473 -9.2473 -9.1722 -9.1722 -9.1722 -9.1722 -0.9011 -0.9011 -0.9011 -0.9011 2.8690 2.8690 2.8690 2.8690 3.6609 3.6609 3.6609 3.6609 6.9434 6.9434 6.9434 6.9434 11.2004 11.2004 k = 0.0000 0.6424 0.6059 ( 11328 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7187 -9.7187 -9.7187 -9.7187 -9.3213 -9.3213 -9.3213 -9.3213 -9.2473 -9.2473 -9.2473 -9.2473 -9.1722 -9.1722 -9.1722 -9.1722 -0.9011 -0.9011 -0.9011 -0.9011 2.8690 2.8690 2.8690 2.8690 3.6609 3.6609 3.6609 3.6609 6.9434 6.9434 6.9434 6.9434 11.2004 11.2004 k = 0.0162 0.6424 0.6059 ( 11326 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7187 -9.7187 -9.7187 -9.7187 -9.3214 -9.3214 -9.3212 -9.3212 -9.2473 -9.2473 -9.2472 -9.2472 -9.1723 -9.1723 -9.1722 -9.1722 -0.9009 -0.9009 -0.9009 -0.9009 2.8693 2.8693 2.8698 2.8698 3.6574 3.6574 3.6580 3.6580 6.9498 6.9498 6.9500 6.9500 11.1523 11.1523 k = 0.0323 0.6424 0.6059 ( 11322 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7187 -9.7187 -9.7186 -9.7186 -9.3215 -9.3215 -9.3211 -9.3211 -9.2474 -9.2474 -9.2472 -9.2472 -9.1723 -9.1723 -9.1721 -9.1721 -0.9004 -0.9004 -0.9003 -0.9003 2.8705 2.8705 2.8716 2.8716 3.6474 3.6474 3.6487 3.6487 6.9691 6.9691 6.9695 6.9695 11.0585 11.0585 k = 0.0485 0.6424 0.6059 ( 11324 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7187 -9.7187 -9.7186 -9.7186 -9.3217 -9.3217 -9.3210 -9.3210 -9.2474 -9.2474 -9.2472 -9.2472 -9.1724 -9.1724 -9.1721 -9.1721 -0.8995 -0.8995 -0.8994 -0.8994 2.8727 2.8727 2.8743 2.8743 3.6315 3.6315 3.6334 3.6334 7.0008 7.0008 7.0014 7.0014 10.9533 10.9533 k = 0.0647 0.6424 0.6059 ( 11322 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7188 -9.7188 -9.7186 -9.7186 -9.3218 -9.3218 -9.3209 -9.3209 -9.2475 -9.2475 -9.2471 -9.2471 -9.1724 -9.1724 -9.1720 -9.1720 -0.8984 -0.8984 -0.8983 -0.8983 2.8758 2.8758 2.8779 2.8779 3.6100 3.6100 3.6127 3.6127 7.0446 7.0446 7.0453 7.0453 10.8457 10.8457 k = 0.0808 0.6424 0.6059 ( 11326 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7720 -9.7720 -9.7188 -9.7188 -9.7185 -9.7185 -9.3219 -9.3219 -9.3208 -9.3208 -9.2475 -9.2475 -9.2471 -9.2471 -9.1725 -9.1725 -9.1720 -9.1720 -0.8969 -0.8969 -0.8968 -0.8968 2.8796 2.8796 2.8823 2.8823 3.5839 3.5839 3.5873 3.5873 7.0995 7.0995 7.1004 7.1004 10.7384 10.7384 k = 0.0970 0.6424 0.6059 ( 11328 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7720 -9.7720 -9.7188 -9.7188 -9.7185 -9.7185 -9.3220 -9.3220 -9.3207 -9.3207 -9.2476 -9.2476 -9.2471 -9.2471 -9.1726 -9.1726 -9.1720 -9.1720 -0.8952 -0.8952 -0.8951 -0.8951 2.8840 2.8840 2.8875 2.8875 3.5539 3.5539 3.5581 3.5581 7.1648 7.1648 7.1658 7.1658 10.6328 10.6328 k = 0.1132 0.6424 0.6059 ( 11320 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7720 -9.7720 -9.7188 -9.7188 -9.7185 -9.7185 -9.3220 -9.3220 -9.3205 -9.3205 -9.2476 -9.2476 -9.2470 -9.2470 -9.1726 -9.1726 -9.1720 -9.1720 -0.8933 -0.8933 -0.8931 -0.8931 2.8888 2.8888 2.8930 2.8930 3.5211 3.5211 3.5262 3.5262 7.2394 7.2394 7.2406 7.2406 10.5295 10.5295 k = 0.1293 0.6424 0.6059 ( 11312 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7720 -9.7720 -9.7188 -9.7188 -9.7184 -9.7184 -9.3221 -9.3221 -9.3204 -9.3204 -9.2477 -9.2477 -9.2470 -9.2470 -9.1727 -9.1727 -9.1720 -9.1720 -0.8913 -0.8913 -0.8911 -0.8911 2.8937 2.8937 2.8988 2.8988 3.4866 3.4866 3.4926 3.4926 7.3223 7.3223 7.3236 7.3236 10.4293 10.4293 k = 0.1455 0.6424 0.6059 ( 11312 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7720 -9.7720 -9.7188 -9.7188 -9.7184 -9.7184 -9.3222 -9.3222 -9.3204 -9.3204 -9.2477 -9.2477 -9.2470 -9.2470 -9.1728 -9.1728 -9.1719 -9.1719 -0.8892 -0.8892 -0.8889 -0.8889 2.8984 2.8984 2.9044 2.9044 3.4515 3.4515 3.4585 3.4585 7.4124 7.4124 7.4137 7.4137 10.3326 10.3326 k = 0.1617 0.6424 0.6059 ( 11310 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7721 -9.7721 -9.7187 -9.7187 -9.7183 -9.7183 -9.3223 -9.3223 -9.3203 -9.3203 -9.2478 -9.2478 -9.2470 -9.2470 -9.1728 -9.1728 -9.1719 -9.1719 -0.8870 -0.8870 -0.8868 -0.8868 2.9023 2.9023 2.9094 2.9094 3.4171 3.4171 3.4252 3.4252 7.5083 7.5083 7.5097 7.5097 10.2403 10.2403 k = 0.1778 0.6424 0.6059 ( 11310 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7721 -9.7721 -9.7187 -9.7187 -9.7183 -9.7183 -9.3223 -9.3223 -9.3202 -9.3202 -9.2478 -9.2478 -9.2470 -9.2470 -9.1729 -9.1729 -9.1719 -9.1719 -0.8850 -0.8850 -0.8847 -0.8847 2.9049 2.9049 2.9132 2.9132 3.3847 3.3847 3.3941 3.3941 7.6087 7.6087 7.6102 7.6102 10.1530 10.1530 k = 0.1940 0.6424 0.6059 ( 11314 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7721 -9.7721 -9.7187 -9.7187 -9.7183 -9.7183 -9.3224 -9.3224 -9.3201 -9.3201 -9.2479 -9.2479 -9.2469 -9.2469 -9.1730 -9.1730 -9.1719 -9.1719 -0.8831 -0.8831 -0.8828 -0.8828 2.9055 2.9055 2.9150 2.9150 3.3557 3.3557 3.3663 3.3663 7.7122 7.7122 7.7137 7.7137 10.0719 10.0719 k = 0.2102 0.6424 0.6059 ( 11316 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7182 -9.7182 -9.3224 -9.3224 -9.3200 -9.3200 -9.2479 -9.2479 -9.2469 -9.2469 -9.1730 -9.1730 -9.1720 -9.1720 -0.8814 -0.8814 -0.8811 -0.8811 2.9033 2.9033 2.9140 2.9140 3.3316 3.3316 3.3434 3.3434 7.8168 7.8168 7.8183 7.8183 9.9982 9.9982 k = 0.2263 0.6424 0.6059 ( 11318 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7182 -9.7182 -9.3225 -9.3225 -9.3200 -9.3200 -9.2479 -9.2479 -9.2469 -9.2469 -9.1731 -9.1731 -9.1720 -9.1720 -0.8801 -0.8801 -0.8797 -0.8797 2.8979 2.8979 2.9096 2.9096 3.3136 3.3136 3.3264 3.3264 7.9204 7.9204 7.9219 7.9219 9.9335 9.9335 k = 0.2425 0.6424 0.6059 ( 11310 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7182 -9.7182 -9.3225 -9.3225 -9.3199 -9.3199 -9.2480 -9.2480 -9.2469 -9.2469 -9.1731 -9.1731 -9.1720 -9.1720 -0.8791 -0.8791 -0.8788 -0.8788 2.8890 2.8890 2.9014 2.9014 3.3025 3.3025 3.3161 3.3161 8.0203 8.0203 8.0218 8.0218 9.8803 9.8803 k = 0.2586 0.6424 0.6059 ( 11316 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7181 -9.7181 -9.3225 -9.3225 -9.3199 -9.3199 -9.2480 -9.2480 -9.2469 -9.2469 -9.1732 -9.1732 -9.1720 -9.1720 -0.8788 -0.8788 -0.8784 -0.8784 2.8768 2.8768 2.8896 2.8896 3.2988 3.2988 3.3127 3.3127 8.1134 8.1134 8.1148 8.1148 9.8412 9.8412 k = 0.2748 0.6424 0.6059 ( 11328 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7181 -9.7181 -9.3225 -9.3225 -9.3199 -9.3199 -9.2480 -9.2480 -9.2470 -9.2470 -9.1732 -9.1732 -9.1720 -9.1720 -0.8790 -0.8790 -0.8786 -0.8786 2.8620 2.8620 2.8748 2.8748 3.3020 3.3020 3.3160 3.3160 8.1960 8.1960 8.1974 8.1974 9.8196 9.8196 k = 0.2910 0.6424 0.6059 ( 11318 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7181 -9.7181 -9.3225 -9.3225 -9.3198 -9.3198 -9.2481 -9.2481 -9.2470 -9.2470 -9.1732 -9.1732 -9.1721 -9.1721 -0.8799 -0.8799 -0.8795 -0.8795 2.8456 2.8456 2.8583 2.8583 3.3115 3.3115 3.3253 3.3253 8.2643 8.2643 8.2656 8.2656 9.8189 9.8189 k = 0.3071 0.6424 0.6059 ( 11318 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7181 -9.7181 -9.3225 -9.3225 -9.3198 -9.3198 -9.2481 -9.2481 -9.2470 -9.2470 -9.1733 -9.1733 -9.1721 -9.1721 -0.8817 -0.8817 -0.8813 -0.8813 2.8287 2.8287 2.8410 2.8410 3.3265 3.3265 3.3400 3.3400 8.3149 8.3149 8.3161 8.3161 9.8423 9.8423 k = 0.3071 0.6424 0.6059 ( 11318 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7181 -9.7181 -9.3225 -9.3225 -9.3198 -9.3198 -9.2481 -9.2481 -9.2470 -9.2470 -9.1733 -9.1733 -9.1721 -9.1721 -0.8817 -0.8817 -0.8813 -0.8813 2.8287 2.8287 2.8410 2.8410 3.3265 3.3265 3.3400 3.3400 8.3149 8.3149 8.3161 8.3161 9.8423 9.8423 k = 0.3000 0.6275 0.6059 ( 11322 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7181 -9.7181 -9.3225 -9.3225 -9.3198 -9.3198 -9.2480 -9.2480 -9.2469 -9.2469 -9.1732 -9.1732 -9.1720 -9.1720 -0.8774 -0.8774 -0.8770 -0.8770 2.8693 2.8693 2.8825 2.8825 3.2883 3.2883 3.3027 3.3027 8.2185 8.2185 8.2199 8.2199 9.7577 9.7577 k = 0.2929 0.6126 0.6059 ( 11322 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7181 -9.7181 -9.3226 -9.3226 -9.3199 -9.3199 -9.2480 -9.2480 -9.2469 -9.2469 -9.1731 -9.1731 -9.1720 -9.1720 -0.8749 -0.8749 -0.8745 -0.8745 2.9111 2.9111 2.9253 2.9253 3.2566 3.2566 3.2719 3.2719 8.1242 8.1242 8.1256 8.1256 9.6750 9.6750 k = 0.2857 0.5976 0.6059 ( 11326 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7182 -9.7182 -9.3226 -9.3226 -9.3199 -9.3199 -9.2479 -9.2479 -9.2469 -9.2469 -9.1731 -9.1731 -9.1719 -9.1719 -0.8743 -0.8743 -0.8740 -0.8740 2.9541 2.9541 2.9692 2.9692 3.2316 3.2316 3.2479 3.2479 8.0319 8.0319 8.0335 8.0335 9.5944 9.5944 k = 0.2786 0.5827 0.6059 ( 11318 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7721 -9.7721 -9.7187 -9.7187 -9.7182 -9.7182 -9.3226 -9.3226 -9.3199 -9.3199 -9.2479 -9.2479 -9.2468 -9.2468 -9.1730 -9.1730 -9.1718 -9.1718 -0.8758 -0.8758 -0.8755 -0.8755 2.9983 2.9983 3.0143 3.0143 3.2134 3.2134 3.2306 3.2306 7.9419 7.9419 7.9436 7.9436 9.5157 9.5157 k = 0.2714 0.5677 0.6059 ( 11306 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7721 -9.7721 -9.7188 -9.7188 -9.7183 -9.7183 -9.3226 -9.3226 -9.3200 -9.3200 -9.2478 -9.2478 -9.2468 -9.2468 -9.1730 -9.1730 -9.1718 -9.1718 -0.8793 -0.8793 -0.8790 -0.8790 3.0435 3.0435 3.0603 3.0603 3.2023 3.2023 3.2203 3.2203 7.8540 7.8540 7.8559 7.8559 9.4392 9.4392 k = 0.2643 0.5528 0.6059 ( 11314 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7721 -9.7721 -9.7720 -9.7720 -9.7188 -9.7188 -9.7184 -9.7184 -9.3225 -9.3225 -9.3200 -9.3200 -9.2478 -9.2478 -9.2468 -9.2468 -9.1729 -9.1729 -9.1717 -9.1717 -0.8849 -0.8849 -0.8847 -0.8847 3.0896 3.0896 3.1065 3.1065 3.1990 3.1990 3.2171 3.2171 7.7685 7.7685 7.7705 7.7705 9.3647 9.3647 k = 0.2571 0.5378 0.6059 ( 11330 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7188 -9.7188 -9.7184 -9.7184 -9.3225 -9.3225 -9.3201 -9.3201 -9.2478 -9.2478 -9.2468 -9.2468 -9.1729 -9.1729 -9.1717 -9.1717 -0.8926 -0.8926 -0.8925 -0.8925 3.1362 3.1362 3.1504 3.1504 3.2060 3.2060 3.2213 3.2213 7.6852 7.6852 7.6873 7.6873 9.2923 9.2923 k = 0.2500 0.5229 0.6059 ( 11334 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7189 -9.7189 -9.7185 -9.7185 -9.3225 -9.3225 -9.3201 -9.3201 -9.2477 -9.2477 -9.2468 -9.2468 -9.1728 -9.1728 -9.1716 -9.1716 -0.9023 -0.9023 -0.9023 -0.9023 3.1819 3.1819 3.1839 3.1839 3.2312 3.2312 3.2343 3.2343 7.6042 7.6042 7.6065 7.6065 9.2220 9.2220 k = 0.2429 0.5080 0.6059 ( 11328 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7189 -9.7189 -9.7186 -9.7186 -9.3225 -9.3225 -9.3202 -9.3202 -9.2477 -9.2477 -9.2469 -9.2469 -9.1728 -9.1728 -9.1716 -9.1716 -0.9141 -0.9141 -0.9141 -0.9141 3.2066 3.2066 3.2224 3.2224 3.2603 3.2603 3.2751 3.2751 7.5256 7.5256 7.5280 7.5280 9.1539 9.1539 k = 0.2357 0.4930 0.6059 ( 11320 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7720 -9.7720 -9.7190 -9.7190 -9.7187 -9.7187 -9.3225 -9.3225 -9.3202 -9.3202 -9.2477 -9.2477 -9.2469 -9.2469 -9.1727 -9.1727 -9.1716 -9.1716 -0.9278 -0.9278 -0.9278 -0.9278 3.2295 3.2295 3.2546 3.2546 3.3023 3.3023 3.3264 3.3264 7.4494 7.4494 7.4519 7.4519 9.0879 9.0879 k = 0.2286 0.4781 0.6059 ( 11320 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7719 -9.7719 -9.7190 -9.7190 -9.7188 -9.7188 -9.3225 -9.3225 -9.3203 -9.3203 -9.2477 -9.2477 -9.2469 -9.2469 -9.1727 -9.1727 -9.1716 -9.1716 -0.9433 -0.9433 -0.9433 -0.9433 3.2565 3.2565 3.2860 3.2860 3.3524 3.3524 3.3810 3.3810 7.3756 7.3756 7.3781 7.3781 9.0241 9.0241 k = 0.2214 0.4631 0.6059 ( 11316 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7719 -9.7719 -9.7191 -9.7191 -9.7189 -9.7189 -9.3225 -9.3225 -9.3204 -9.3204 -9.2477 -9.2477 -9.2470 -9.2470 -9.1727 -9.1727 -9.1716 -9.1716 -0.9605 -0.9605 -0.9604 -0.9604 3.2884 3.2884 3.3210 3.3210 3.4061 3.4061 3.4379 3.4379 7.3041 7.3041 7.3067 7.3067 8.9625 8.9625 k = 0.2143 0.4482 0.6059 ( 11316 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7720 -9.7720 -9.7719 -9.7719 -9.7192 -9.7192 -9.7190 -9.7190 -9.3225 -9.3225 -9.3204 -9.3204 -9.2477 -9.2477 -9.2470 -9.2470 -9.1727 -9.1727 -9.1716 -9.1716 -0.9791 -0.9791 -0.9790 -0.9790 3.3250 3.3250 3.3604 3.3604 3.4625 3.4625 3.4971 3.4971 7.2351 7.2351 7.2378 7.2378 8.9030 8.9030 k = 0.2071 0.4333 0.6059 ( 11336 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0618 -41.0618 -41.0618 -41.0618 -9.7720 -9.7720 -9.7719 -9.7719 -9.7192 -9.7192 -9.7191 -9.7191 -9.3224 -9.3224 -9.3205 -9.3205 -9.2477 -9.2477 -9.2471 -9.2471 -9.1727 -9.1727 -9.1716 -9.1716 -0.9991 -0.9991 -0.9990 -0.9990 3.3660 3.3660 3.4040 3.4040 3.5213 3.5213 3.5587 3.5587 7.1684 7.1684 7.1712 7.1712 8.8458 8.8458 k = 0.2000 0.4183 0.6059 ( 11340 PWs) bands (ev): -41.2687 -41.2687 -41.2687 -41.2687 -41.0618 -41.0618 -41.0618 -41.0618 -9.7720 -9.7720 -9.7718 -9.7718 -9.7193 -9.7193 -9.7192 -9.7192 -9.3224 -9.3224 -9.3206 -9.3206 -9.2477 -9.2477 -9.2471 -9.2471 -9.1727 -9.1727 -9.1716 -9.1716 -1.0203 -1.0203 -1.0202 -1.0202 3.4109 3.4109 3.4512 3.4512 3.5830 3.5830 3.6228 3.6228 7.1042 7.1042 7.1071 7.1071 8.7907 8.7935 k = 0.1929 0.4034 0.6059 ( 11340 PWs) bands (ev): -41.2687 -41.2687 -41.2687 -41.2687 -41.0618 -41.0618 -41.0618 -41.0618 -9.7720 -9.7720 -9.7718 -9.7718 -9.7194 -9.7194 -9.7193 -9.7193 -9.3224 -9.3224 -9.3206 -9.3206 -9.2478 -9.2478 -9.2472 -9.2472 -9.1727 -9.1727 -9.1717 -9.1717 -1.0425 -1.0425 -1.0423 -1.0423 3.4590 3.4590 3.5012 3.5012 3.6479 3.6479 3.6898 3.6898 7.0424 7.0424 7.0453 7.0453 8.7379 8.7380 k = 0.1857 0.3884 0.6059 ( 11328 PWs) bands (ev): -41.2687 -41.2687 -41.2687 -41.2687 -41.0618 -41.0618 -41.0618 -41.0618 -9.7720 -9.7720 -9.7718 -9.7718 -9.7195 -9.7195 -9.7195 -9.7195 -9.3224 -9.3224 -9.3207 -9.3207 -9.2478 -9.2478 -9.2473 -9.2473 -9.1727 -9.1727 -9.1717 -9.1717 -1.0654 -1.0654 -1.0652 -1.0652 3.5097 3.5097 3.5533 3.5533 3.7166 3.7166 3.7601 3.7601 6.9831 6.9831 6.9860 6.9860 8.6873 8.6874 k = 0.1786 0.3735 0.6059 ( 11344 PWs) bands (ev): -41.2687 -41.2687 -41.2687 -41.2687 -41.0618 -41.0618 -41.0618 -41.0618 -9.7720 -9.7720 -9.7718 -9.7718 -9.7196 -9.7196 -9.7196 -9.7196 -9.3224 -9.3224 -9.3208 -9.3208 -9.2479 -9.2479 -9.2473 -9.2473 -9.1727 -9.1727 -9.1717 -9.1717 -1.0890 -1.0890 -1.0888 -1.0888 3.5623 3.5623 3.6066 3.6066 3.7896 3.7896 3.8339 3.8339 6.9262 6.9262 6.9291 6.9291 8.6389 8.6389 k = 0.1714 0.3586 0.6059 ( 11344 PWs) bands (ev): -41.2688 -41.2688 -41.2688 -41.2688 -41.0617 -41.0617 -41.0617 -41.0617 -9.7720 -9.7720 -9.7718 -9.7718 -9.7197 -9.7197 -9.7197 -9.7197 -9.3224 -9.3224 -9.3208 -9.3208 -9.2479 -9.2479 -9.2474 -9.2474 -9.1727 -9.1727 -9.1718 -9.1718 -1.1130 -1.1130 -1.1128 -1.1128 3.6161 3.6161 3.6604 3.6604 3.8672 3.8672 3.9117 3.9117 6.8718 6.8718 6.8747 6.8747 8.5927 8.5928 k = 0.1643 0.3436 0.6059 ( 11348 PWs) bands (ev): -41.2688 -41.2688 -41.2688 -41.2688 -41.0617 -41.0617 -41.0617 -41.0617 -9.7720 -9.7720 -9.7718 -9.7718 -9.7198 -9.7198 -9.7198 -9.7198 -9.3224 -9.3224 -9.3209 -9.3209 -9.2479 -9.2479 -9.2475 -9.2475 -9.1727 -9.1727 -9.1718 -9.1718 -1.1372 -1.1372 -1.1370 -1.1370 3.6706 3.6706 3.7141 3.7141 3.9497 3.9497 3.9937 3.9937 6.8198 6.8198 6.8227 6.8227 8.5487 8.5489 k = 0.1571 0.3287 0.6059 ( 11338 PWs) bands (ev): -41.2688 -41.2688 -41.2688 -41.2688 -41.0617 -41.0617 -41.0617 -41.0617 -9.7720 -9.7720 -9.7718 -9.7718 -9.7200 -9.7200 -9.7199 -9.7199 -9.3223 -9.3223 -9.3210 -9.3210 -9.2480 -9.2480 -9.2476 -9.2476 -9.1727 -9.1727 -9.1719 -9.1719 -1.1616 -1.1616 -1.1613 -1.1613 3.7250 3.7250 3.7672 3.7672 4.0372 4.0372 4.0802 4.0802 6.7703 6.7703 6.7732 6.7732 8.5069 8.5070 k = 0.1500 0.3137 0.6059 ( 11330 PWs) bands (ev): -41.2688 -41.2688 -41.2688 -41.2688 -41.0617 -41.0617 -41.0617 -41.0617 -9.7720 -9.7720 -9.7718 -9.7718 -9.7201 -9.7201 -9.7200 -9.7200 -9.3223 -9.3223 -9.3211 -9.3211 -9.2481 -9.2481 -9.2477 -9.2477 -9.1727 -9.1727 -9.1719 -9.1719 -1.1859 -1.1859 -1.1856 -1.1856 3.7790 3.7790 3.8194 3.8194 4.1297 4.1297 4.1712 4.1712 6.7232 6.7232 6.7260 6.7260 8.4674 8.4677 k = 0.1429 0.2988 0.6059 ( 11318 PWs) bands (ev): -41.2689 -41.2689 -41.2689 -41.2689 -41.0616 -41.0616 -41.0616 -41.0616 -9.7720 -9.7720 -9.7718 -9.7718 -9.7202 -9.7202 -9.7201 -9.7201 -9.3223 -9.3223 -9.3211 -9.3211 -9.2481 -9.2481 -9.2478 -9.2478 -9.1727 -9.1727 -9.1720 -9.1720 -1.2099 -1.2099 -1.2097 -1.2097 3.8322 3.8322 3.8705 3.8705 4.2269 4.2269 4.2667 4.2667 6.6787 6.6787 6.6814 6.6814 8.4300 8.4300 k = 0.1357 0.2839 0.6059 ( 11318 PWs) bands (ev): -41.2689 -41.2689 -41.2689 -41.2689 -41.0616 -41.0616 -41.0616 -41.0616 -9.7720 -9.7720 -9.7718 -9.7718 -9.7203 -9.7203 -9.7202 -9.7202 -9.3223 -9.3223 -9.3212 -9.3212 -9.2482 -9.2482 -9.2479 -9.2479 -9.1727 -9.1727 -9.1720 -9.1720 -1.2336 -1.2336 -1.2334 -1.2334 3.8842 3.8842 3.9203 3.9203 4.3288 4.3288 4.3667 4.3667 6.6366 6.6366 6.6391 6.6391 8.3952 8.3966 k = 0.1286 0.2689 0.6059 ( 11314 PWs) bands (ev): -41.2689 -41.2689 -41.2689 -41.2689 -41.0616 -41.0616 -41.0616 -41.0616 -9.7720 -9.7720 -9.7718 -9.7718 -9.7205 -9.7205 -9.7203 -9.7203 -9.3223 -9.3223 -9.3213 -9.3213 -9.2483 -9.2483 -9.2480 -9.2480 -9.1728 -9.1728 -9.1721 -9.1721 -1.2568 -1.2568 -1.2566 -1.2566 3.9349 3.9349 3.9687 3.9687 4.4349 4.4349 4.4711 4.4711 6.5969 6.5969 6.5993 6.5993 8.3619 8.3621 k = 0.1214 0.2540 0.6059 ( 11318 PWs) bands (ev): -41.2689 -41.2689 -41.2689 -41.2689 -41.0616 -41.0616 -41.0616 -41.0616 -9.7720 -9.7720 -9.7718 -9.7718 -9.7206 -9.7206 -9.7204 -9.7204 -9.3223 -9.3223 -9.3213 -9.3213 -9.2483 -9.2483 -9.2481 -9.2481 -9.1728 -9.1728 -9.1721 -9.1721 -1.2793 -1.2793 -1.2791 -1.2791 3.9840 3.9840 4.0156 4.0156 4.5452 4.5452 4.5795 4.5795 6.5598 6.5598 6.5619 6.5619 8.3311 8.3324 k = 0.1143 0.2390 0.6059 ( 11312 PWs) bands (ev): -41.2690 -41.2690 -41.2690 -41.2690 -41.0615 -41.0615 -41.0615 -41.0615 -9.7720 -9.7720 -9.7718 -9.7718 -9.7207 -9.7207 -9.7205 -9.7205 -9.3223 -9.3223 -9.3214 -9.3214 -9.2484 -9.2484 -9.2482 -9.2482 -9.1728 -9.1728 -9.1722 -9.1722 -1.3012 -1.3012 -1.3010 -1.3010 4.0314 4.0314 4.0607 4.0607 4.6592 4.6592 4.6918 4.6918 6.5251 6.5251 6.5270 6.5270 8.3035 8.3039 k = 0.1071 0.2241 0.6059 ( 11304 PWs) bands (ev): -41.2690 -41.2690 -41.2690 -41.2690 -41.0615 -41.0615 -41.0615 -41.0615 -9.7720 -9.7720 -9.7718 -9.7718 -9.7208 -9.7208 -9.7206 -9.7206 -9.3223 -9.3223 -9.3215 -9.3215 -9.2485 -9.2485 -9.2483 -9.2483 -9.1728 -9.1728 -9.1723 -9.1723 -1.3221 -1.3221 -1.3219 -1.3219 4.0768 4.0768 4.1040 4.1040 4.7767 4.7767 4.8077 4.8077 6.4929 6.4929 6.4945 6.4945 8.2764 8.2773 k = 0.1000 0.2092 0.6059 ( 11296 PWs) bands (ev): -41.2690 -41.2690 -41.2690 -41.2690 -41.0615 -41.0615 -41.0615 -41.0615 -9.7720 -9.7720 -9.7718 -9.7718 -9.7209 -9.7209 -9.7207 -9.7207 -9.3222 -9.3222 -9.3215 -9.3215 -9.2485 -9.2485 -9.2483 -9.2483 -9.1729 -9.1729 -9.1723 -9.1723 -1.3422 -1.3422 -1.3420 -1.3420 4.1202 4.1202 4.1453 4.1453 4.8972 4.8972 4.9269 4.9269 6.4631 6.4631 6.4643 6.4643 8.2517 8.2523 k = 0.0929 0.1942 0.6059 ( 11300 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7720 -9.7720 -9.7718 -9.7718 -9.7210 -9.7210 -9.7208 -9.7208 -9.3222 -9.3222 -9.3216 -9.3216 -9.2486 -9.2486 -9.2484 -9.2484 -9.1729 -9.1729 -9.1724 -9.1724 -1.3612 -1.3612 -1.3610 -1.3610 4.1614 4.1614 4.1845 4.1845 5.0205 5.0205 5.0488 5.0488 6.4358 6.4358 6.4366 6.4366 8.2294 8.2300 k = 0.0857 0.1793 0.6059 ( 11304 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7720 -9.7720 -9.7718 -9.7718 -9.7211 -9.7211 -9.7209 -9.7209 -9.3222 -9.3222 -9.3216 -9.3216 -9.2487 -9.2487 -9.2485 -9.2485 -9.1729 -9.1729 -9.1724 -9.1724 -1.3791 -1.3791 -1.3789 -1.3789 4.2002 4.2002 4.2214 4.2214 5.1460 5.1460 5.1732 5.1732 6.4110 6.4110 6.4112 6.4112 8.2093 8.2097 k = 0.0786 0.1643 0.6059 ( 11306 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7720 -9.7720 -9.7718 -9.7718 -9.7212 -9.7212 -9.7210 -9.7210 -9.3222 -9.3222 -9.3217 -9.3217 -9.2487 -9.2487 -9.2486 -9.2486 -9.1729 -9.1729 -9.1725 -9.1725 -1.3958 -1.3958 -1.3956 -1.3956 4.2366 4.2366 4.2559 4.2559 5.2732 5.2732 5.2993 5.2993 6.3883 6.3883 6.3887 6.3887 8.1906 8.1907 k = 0.0714 0.1494 0.6059 ( 11316 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7720 -9.7720 -9.7718 -9.7718 -9.7213 -9.7213 -9.7211 -9.7211 -9.3222 -9.3222 -9.3217 -9.3217 -9.2488 -9.2488 -9.2487 -9.2487 -9.1729 -9.1729 -9.1726 -9.1726 -1.4112 -1.4112 -1.4111 -1.4111 4.2704 4.2704 4.2878 4.2878 5.4013 5.4013 5.4266 5.4266 6.3678 6.3678 6.3689 6.3689 8.1745 8.1752 k = 0.0643 0.1345 0.6059 ( 11316 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0614 -41.0614 -41.0614 -41.0614 -9.7720 -9.7720 -9.7718 -9.7718 -9.7213 -9.7213 -9.7212 -9.7212 -9.3222 -9.3222 -9.3218 -9.3218 -9.2488 -9.2488 -9.2487 -9.2487 -9.1729 -9.1729 -9.1726 -9.1726 -1.4254 -1.4254 -1.4253 -1.4253 4.3014 4.3014 4.3170 4.3170 5.5295 5.5295 5.5540 5.5540 6.3498 6.3498 6.3518 6.3518 8.1599 8.1599 k = 0.0571 0.1195 0.6059 ( 11308 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7720 -9.7720 -9.7718 -9.7718 -9.7214 -9.7214 -9.7213 -9.7213 -9.3222 -9.3222 -9.3218 -9.3218 -9.2489 -9.2489 -9.2488 -9.2488 -9.1730 -9.1730 -9.1727 -9.1727 -1.4382 -1.4382 -1.4381 -1.4381 4.3296 4.3296 4.3434 4.3434 5.6565 5.6565 5.6804 5.6804 6.3344 6.3344 6.3375 6.3375 8.1476 8.1483 k = 0.0500 0.1046 0.6059 ( 11304 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7720 -9.7720 -9.7718 -9.7718 -9.7215 -9.7215 -9.7213 -9.7213 -9.3222 -9.3222 -9.3219 -9.3219 -9.2489 -9.2489 -9.2489 -9.2489 -9.1730 -9.1730 -9.1727 -9.1727 -1.4496 -1.4496 -1.4495 -1.4495 4.3548 4.3548 4.3669 4.3669 5.7805 5.7805 5.8039 5.8039 6.3220 6.3220 6.3265 6.3265 8.1371 8.1371 k = 0.0429 0.0896 0.6059 ( 11316 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7720 -9.7720 -9.7718 -9.7718 -9.7215 -9.7215 -9.7214 -9.7214 -9.3222 -9.3222 -9.3219 -9.3219 -9.2490 -9.2490 -9.2489 -9.2489 -9.1730 -9.1730 -9.1727 -9.1727 -1.4595 -1.4595 -1.4594 -1.4594 4.3770 4.3770 4.3873 4.3873 5.8988 5.8988 5.9220 5.9220 6.3133 6.3133 6.3195 6.3195 8.1295 8.1297 k = 0.0357 0.0747 0.6059 ( 11318 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7718 -9.7718 -9.7215 -9.7215 -9.7214 -9.7214 -9.3222 -9.3222 -9.3219 -9.3219 -9.2490 -9.2490 -9.2490 -9.2490 -9.1730 -9.1730 -9.1728 -9.1728 -1.4680 -1.4680 -1.4679 -1.4679 4.3960 4.3960 4.4046 4.4046 6.0070 6.0070 6.0301 6.0301 6.3102 6.3102 6.3183 6.3183 8.1227 8.1233 k = 0.0286 0.0598 0.6059 ( 11330 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7216 -9.7216 -9.7215 -9.7215 -9.3222 -9.3222 -9.3220 -9.3220 -9.2490 -9.2490 -9.2490 -9.2490 -9.1730 -9.1730 -9.1728 -9.1728 -1.4750 -1.4750 -1.4749 -1.4749 4.4118 4.4118 4.4187 4.4187 6.0980 6.0980 6.1204 6.1204 6.3171 6.3171 6.3267 6.3267 8.1193 8.1197 k = 0.0214 0.0448 0.6059 ( 11334 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7216 -9.7216 -9.7215 -9.7215 -9.3221 -9.3221 -9.3220 -9.3220 -9.2490 -9.2490 -9.2490 -9.2490 -9.1730 -9.1730 -9.1729 -9.1729 -1.4804 -1.4804 -1.4803 -1.4803 4.4244 4.4244 4.4296 4.4296 6.1621 6.1621 6.1805 6.1805 6.3416 6.3416 6.3500 6.3500 8.1191 8.1191 k = 0.0143 0.0299 0.6059 ( 11322 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7216 -9.7216 -9.7216 -9.7216 -9.3221 -9.3221 -9.3220 -9.3220 -9.2491 -9.2491 -9.2490 -9.2490 -9.1730 -9.1730 -9.1729 -9.1729 -1.4843 -1.4843 -1.4843 -1.4843 4.4336 4.4336 4.4371 4.4371 6.1964 6.1964 6.2078 6.2078 6.3809 6.3809 6.3852 6.3852 8.1239 8.1240 k = 0.0071 0.0149 0.6059 ( 11318 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7216 -9.7216 -9.7216 -9.7216 -9.3221 -9.3221 -9.3221 -9.3221 -9.2491 -9.2491 -9.2491 -9.2491 -9.1729 -9.1729 -9.1729 -9.1729 -1.4866 -1.4866 -1.4866 -1.4866 4.4396 4.4396 4.4413 4.4413 6.2114 6.2114 6.2165 6.2165 6.4147 6.4147 6.4161 6.4161 8.1357 8.1358 k = 0.0000 0.0000 0.6059 ( 11346 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7216 -9.7216 -9.7216 -9.7216 -9.3221 -9.3221 -9.3221 -9.3221 -9.2491 -9.2491 -9.2491 -9.2491 -9.1729 -9.1729 -9.1729 -9.1729 -1.4874 -1.4874 -1.4874 -1.4874 4.4421 4.4421 4.4421 4.4421 6.2169 6.2169 6.2169 6.2169 6.4278 6.4278 6.4278 6.4278 8.1491 8.1491 k = 0.0000 0.0000 0.6059 ( 11346 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7216 -9.7216 -9.7216 -9.7216 -9.3221 -9.3221 -9.3221 -9.3221 -9.2491 -9.2491 -9.2491 -9.2491 -9.1729 -9.1729 -9.1729 -9.1729 -1.4874 -1.4874 -1.4874 -1.4874 4.4421 4.4421 4.4421 4.4421 6.2169 6.2169 6.2169 6.2169 6.4278 6.4278 6.4278 6.4278 8.1491 8.1491 k = 0.0000 0.0000 0.5891 ( 11328 PWs) bands (ev): -41.2697 -41.2697 -41.2688 -41.2688 -41.0614 -41.0614 -41.0611 -41.0611 -9.7731 -9.7731 -9.7707 -9.7707 -9.7221 -9.7221 -9.7211 -9.7211 -9.3226 -9.3226 -9.3216 -9.3216 -9.2503 -9.2503 -9.2478 -9.2478 -9.1750 -9.1750 -9.1709 -9.1709 -1.5823 -1.5823 -1.3902 -1.3902 4.4172 4.4172 4.4617 4.4617 6.2190 6.2190 6.2234 6.2234 6.3456 6.3456 6.5068 6.5068 8.0772 8.0772 k = 0.0000 0.0000 0.5722 ( 11310 PWs) bands (ev): -41.2702 -41.2702 -41.2683 -41.2683 -41.0616 -41.0616 -41.0610 -41.0610 -9.7742 -9.7742 -9.7696 -9.7696 -9.7225 -9.7225 -9.7206 -9.7206 -9.3230 -9.3230 -9.3211 -9.3211 -9.2516 -9.2516 -9.2465 -9.2465 -9.1771 -9.1771 -9.1690 -9.1690 -1.6748 -1.6748 -1.2906 -1.2906 4.3875 4.3875 4.4757 4.4757 6.2245 6.2245 6.2386 6.2386 6.2671 6.2671 6.5801 6.5801 8.0167 8.0167 k = 0.0000 0.0000 0.5554 ( 11310 PWs) bands (ev): -41.2707 -41.2707 -41.2679 -41.2679 -41.0617 -41.0617 -41.0608 -41.0608 -9.7753 -9.7753 -9.7684 -9.7684 -9.7229 -9.7229 -9.7202 -9.7202 -9.3234 -9.3234 -9.3206 -9.3206 -9.2528 -9.2528 -9.2453 -9.2453 -9.1793 -9.1793 -9.1672 -9.1672 -1.7648 -1.7648 -1.1888 -1.1888 4.3536 4.3536 4.4840 4.4840 6.1678 6.1678 6.2564 6.2564 6.2646 6.2646 6.6450 6.6450 7.9704 7.9704 k = 0.0000 0.0000 0.5386 ( 11308 PWs) bands (ev): -41.2712 -41.2712 -41.2674 -41.2674 -41.0618 -41.0618 -41.0607 -41.0607 -9.7764 -9.7764 -9.7672 -9.7672 -9.7234 -9.7234 -9.7197 -9.7197 -9.3238 -9.3238 -9.3201 -9.3201 -9.2540 -9.2540 -9.2441 -9.2441 -9.1815 -9.1815 -9.1655 -9.1655 -1.8524 -1.8524 -1.0849 -1.0849 4.3161 4.3161 4.4867 4.4867 6.0833 6.0833 6.2830 6.2830 6.2978 6.2978 6.6983 6.6983 7.9414 7.9414 k = 0.0000 0.0000 0.5217 ( 11320 PWs) bands (ev): -41.2716 -41.2716 -41.2669 -41.2669 -41.0620 -41.0620 -41.0605 -41.0605 -9.7775 -9.7775 -9.7661 -9.7661 -9.7238 -9.7238 -9.7192 -9.7192 -9.3241 -9.3241 -9.3196 -9.3196 -9.2551 -9.2551 -9.2430 -9.2430 -9.1838 -9.1838 -9.1638 -9.1638 -1.9374 -1.9374 -0.9788 -0.9788 4.2758 4.2758 4.4842 4.4842 5.9979 5.9979 6.3177 6.3177 6.3398 6.3398 6.7371 6.7371 7.9324 7.9324 k = 0.0000 0.0000 0.5049 ( 11324 PWs) bands (ev): -41.2721 -41.2721 -41.2665 -41.2665 -41.0621 -41.0621 -41.0604 -41.0604 -9.7785 -9.7785 -9.7649 -9.7649 -9.7241 -9.7241 -9.7187 -9.7187 -9.3244 -9.3244 -9.3192 -9.3192 -9.2561 -9.2561 -9.2419 -9.2419 -9.1860 -9.1860 -9.1624 -9.1624 -2.0200 -2.0200 -0.8707 -0.8707 4.2333 4.2333 4.4770 4.4770 5.9133 5.9133 6.3587 6.3587 6.3899 6.3899 6.7593 6.7593 7.9456 7.9456 k = 0.0000 0.0000 0.4881 ( 11324 PWs) bands (ev): -41.2726 -41.2726 -41.2661 -41.2661 -41.0622 -41.0622 -41.0602 -41.0602 -9.7795 -9.7795 -9.7638 -9.7638 -9.7245 -9.7245 -9.7183 -9.7183 -9.3246 -9.3246 -9.3188 -9.3188 -9.2570 -9.2570 -9.2409 -9.2409 -9.1882 -9.1882 -9.1610 -9.1610 -2.0999 -2.0999 -0.7606 -0.7606 4.1892 4.1892 4.4655 4.4655 5.8301 5.8301 6.4052 6.4052 6.4471 6.4471 6.7645 6.7645 7.9812 7.9812 k = 0.0000 0.0000 0.4712 ( 11316 PWs) bands (ev): -41.2731 -41.2731 -41.2656 -41.2656 -41.0623 -41.0623 -41.0601 -41.0601 -9.7804 -9.7804 -9.7627 -9.7627 -9.7248 -9.7248 -9.7178 -9.7178 -9.3248 -9.3248 -9.3185 -9.3185 -9.2578 -9.2578 -9.2400 -9.2400 -9.1904 -9.1904 -9.1598 -9.1598 -2.1773 -2.1773 -0.6487 -0.6487 4.1443 4.1443 4.4503 4.4503 5.7485 5.7485 6.4565 6.4565 6.5107 6.5107 6.7543 6.7543 8.0375 8.0375 k = 0.0000 0.0000 0.4544 ( 11320 PWs) bands (ev): -41.2735 -41.2735 -41.2652 -41.2652 -41.0625 -41.0625 -41.0599 -41.0599 -9.7813 -9.7813 -9.7616 -9.7616 -9.7251 -9.7251 -9.7174 -9.7174 -9.3249 -9.3249 -9.3183 -9.3183 -9.2584 -9.2584 -9.2392 -9.2392 -9.1925 -9.1925 -9.1588 -9.1588 -2.2520 -2.2520 -0.5350 -0.5350 4.0989 4.0989 4.4322 4.4322 5.6688 5.6688 6.5119 6.5119 6.5795 6.5795 6.7313 6.7313 8.0391 8.0391 k = 0.0000 0.0000 0.4376 ( 11320 PWs) bands (ev): -41.2740 -41.2740 -41.2648 -41.2648 -41.0626 -41.0626 -41.0598 -41.0598 -9.7821 -9.7821 -9.7606 -9.7606 -9.7254 -9.7254 -9.7170 -9.7170 -9.3250 -9.3250 -9.3182 -9.3182 -9.2589 -9.2589 -9.2385 -9.2385 -9.1945 -9.1945 -9.1579 -9.1579 -2.3242 -2.3242 -0.4197 -0.4197 4.0536 4.0536 4.4117 4.4117 5.5913 5.5913 6.5708 6.5708 6.6524 6.6524 6.6986 6.6986 8.0354 8.0354 k = 0.0000 0.0000 0.4208 ( 11324 PWs) bands (ev): -41.2744 -41.2744 -41.2644 -41.2644 -41.0627 -41.0627 -41.0596 -41.0596 -9.7829 -9.7829 -9.7595 -9.7595 -9.7257 -9.7257 -9.7167 -9.7167 -9.3250 -9.3250 -9.3182 -9.3182 -9.2591 -9.2591 -9.2380 -9.2380 -9.1964 -9.1964 -9.1571 -9.1571 -2.3936 -2.3936 -0.3030 -0.3030 4.0088 4.0088 4.3894 4.3894 5.5160 5.5160 6.6328 6.6328 6.6589 6.6589 6.7285 6.7285 8.0363 8.0363 k = 0.0000 0.0000 0.4039 ( 11324 PWs) bands (ev): -41.2748 -41.2748 -41.2640 -41.2640 -41.0628 -41.0628 -41.0595 -41.0595 -9.7835 -9.7835 -9.7585 -9.7585 -9.7260 -9.7260 -9.7164 -9.7164 -9.3250 -9.3250 -9.3183 -9.3183 -9.2592 -9.2592 -9.2375 -9.2375 -9.1982 -9.1982 -9.1565 -9.1565 -2.4605 -2.4605 -0.1849 -0.1849 3.9648 3.9648 4.3656 4.3656 5.4432 5.4432 6.6149 6.6149 6.6973 6.6973 6.8058 6.8058 8.0425 8.0425 k = 0.0000 0.0000 0.3871 ( 11323 PWs) bands (ev): -41.2753 -41.2753 -41.2636 -41.2636 -41.0629 -41.0629 -41.0593 -41.0593 -9.7842 -9.7842 -9.7575 -9.7575 -9.7262 -9.7262 -9.7162 -9.7162 -9.3250 -9.3250 -9.3185 -9.3185 -9.2591 -9.2591 -9.2373 -9.2373 -9.1998 -9.1998 -9.1561 -9.1561 -2.5246 -2.5246 -0.0658 -0.0658 3.9220 3.9220 4.3409 4.3409 5.3730 5.3730 6.5681 6.5681 6.7638 6.7638 6.8831 6.8831 8.0552 8.0552 k = 0.0000 0.0000 0.3703 ( 11303 PWs) bands (ev): -41.2757 -41.2757 -41.2632 -41.2632 -41.0630 -41.0630 -41.0592 -41.0592 -9.7847 -9.7847 -9.7566 -9.7566 -9.7264 -9.7264 -9.7160 -9.7160 -9.3249 -9.3249 -9.3188 -9.3188 -9.2588 -9.2588 -9.2372 -9.2372 -9.2012 -9.2012 -9.1558 -9.1558 -2.5861 -2.5861 0.0544 0.0544 3.8808 3.8808 4.3157 4.3157 5.3053 5.3053 6.5200 6.5200 6.8319 6.8319 6.9587 6.9587 8.0755 8.0755 k = 0.0000 0.0000 0.3534 ( 11299 PWs) bands (ev): -41.2761 -41.2761 -41.2629 -41.2629 -41.0631 -41.0631 -41.0591 -41.0591 -9.7852 -9.7852 -9.7556 -9.7556 -9.7266 -9.7266 -9.7159 -9.7159 -9.3249 -9.3249 -9.3192 -9.3192 -9.2583 -9.2583 -9.2372 -9.2372 -9.2025 -9.2025 -9.1557 -9.1557 -2.6448 -2.6448 0.1752 0.1752 3.8413 3.8413 4.2903 4.2903 5.2403 5.2403 6.4714 6.4714 6.9011 6.9011 7.0309 7.0309 8.1050 8.1050 k = 0.0000 0.0000 0.3366 ( 11309 PWs) bands (ev): -41.2765 -41.2765 -41.2625 -41.2625 -41.0632 -41.0632 -41.0589 -41.0589 -9.7856 -9.7856 -9.7547 -9.7547 -9.7268 -9.7268 -9.7158 -9.7158 -9.3248 -9.3248 -9.3197 -9.3197 -9.2576 -9.2576 -9.2375 -9.2375 -9.2035 -9.2035 -9.1558 -9.1558 -2.7009 -2.7009 0.2964 0.2964 3.8038 3.8038 4.2649 4.2649 5.1781 5.1781 6.4233 6.4233 6.9712 6.9712 7.0978 7.0978 8.1450 8.1450 k = 0.0000 0.0000 0.3198 ( 11309 PWs) bands (ev): -41.2769 -41.2769 -41.2622 -41.2622 -41.0633 -41.0633 -41.0588 -41.0588 -9.7859 -9.7859 -9.7538 -9.7538 -9.7270 -9.7270 -9.7158 -9.7158 -9.3248 -9.3248 -9.3202 -9.3202 -9.2568 -9.2568 -9.2379 -9.2379 -9.2043 -9.2043 -9.1560 -9.1560 -2.7542 -2.7542 0.4177 0.4177 3.7685 3.7685 4.2398 4.2398 5.1186 5.1186 6.3760 6.3760 7.0415 7.0415 7.1581 7.1581 8.1967 8.1967 k = 0.0000 0.0000 0.3029 ( 11305 PWs) bands (ev): -41.2772 -41.2772 -41.2619 -41.2619 -41.0634 -41.0634 -41.0587 -41.0587 -9.7862 -9.7862 -9.7529 -9.7529 -9.7272 -9.7272 -9.7159 -9.7159 -9.3249 -9.3249 -9.3206 -9.3206 -9.2558 -9.2558 -9.2384 -9.2384 -9.2049 -9.2049 -9.1564 -9.1564 -2.8049 -2.8049 0.5388 0.5388 3.7357 3.7357 4.2152 4.2152 5.0620 5.0620 6.3300 6.3300 7.1116 7.1116 7.2106 7.2106 8.2608 8.2608 k = 0.0000 0.0000 0.2861 ( 11293 PWs) bands (ev): -41.2776 -41.2776 -41.2616 -41.2616 -41.0634 -41.0634 -41.0585 -41.0585 -9.7864 -9.7864 -9.7520 -9.7520 -9.7273 -9.7273 -9.7161 -9.7161 -9.3252 -9.3252 -9.3209 -9.3209 -9.2548 -9.2548 -9.2390 -9.2390 -9.2053 -9.2053 -9.1569 -9.1569 -2.8528 -2.8528 0.6593 0.6593 3.7056 3.7056 4.1913 4.1913 5.0083 5.0083 6.2856 6.2856 7.1810 7.1810 7.2551 7.2551 8.3180 8.3180 k = 0.0000 0.0000 0.2693 ( 11289 PWs) bands (ev): -41.2779 -41.2779 -41.2613 -41.2613 -41.0635 -41.0635 -41.0584 -41.0584 -9.7866 -9.7866 -9.7511 -9.7511 -9.7275 -9.7275 -9.7163 -9.7163 -9.3257 -9.3257 -9.3210 -9.3210 -9.2537 -9.2537 -9.2396 -9.2396 -9.2054 -9.2054 -9.1576 -9.1576 -2.8980 -2.8980 0.7787 0.7787 3.6784 3.6784 4.1682 4.1682 4.9575 4.9575 6.2431 6.2431 7.2489 7.2489 7.2921 7.2921 8.2336 8.2336 k = 0.0000 0.0000 0.2525 ( 11293 PWs) bands (ev): -41.2782 -41.2782 -41.2610 -41.2610 -41.0636 -41.0636 -41.0583 -41.0583 -9.7867 -9.7867 -9.7502 -9.7502 -9.7276 -9.7276 -9.7167 -9.7167 -9.3263 -9.3263 -9.3210 -9.3210 -9.2527 -9.2527 -9.2403 -9.2403 -9.2054 -9.2054 -9.1585 -9.1585 -2.9404 -2.9404 0.8965 0.8965 3.6542 3.6542 4.1461 4.1461 4.9097 4.9097 6.2026 6.2026 7.3102 7.3102 7.3268 7.3268 8.1329 8.1329 k = 0.0000 0.0000 0.2356 ( 11293 PWs) bands (ev): -41.2785 -41.2785 -41.2608 -41.2608 -41.0636 -41.0636 -41.0582 -41.0582 -9.7867 -9.7867 -9.7493 -9.7493 -9.7278 -9.7278 -9.7171 -9.7171 -9.3271 -9.3271 -9.3208 -9.3208 -9.2518 -9.2518 -9.2407 -9.2407 -9.2052 -9.2052 -9.1595 -9.1595 -2.9802 -2.9802 1.0120 1.0120 3.6334 3.6334 4.1250 4.1250 4.8648 4.8648 6.1643 6.1643 7.3409 7.3409 7.3836 7.3836 8.0198 8.0198 k = 0.0000 0.0000 0.2188 ( 11299 PWs) bands (ev): -41.2788 -41.2788 -41.2606 -41.2606 -41.0637 -41.0637 -41.0581 -41.0581 -9.7867 -9.7867 -9.7485 -9.7485 -9.7279 -9.7279 -9.7175 -9.7175 -9.3279 -9.3279 -9.3206 -9.3206 -9.2512 -9.2512 -9.2409 -9.2409 -9.2049 -9.2049 -9.1606 -9.1606 -3.0172 -3.0172 1.1247 1.1247 3.6160 3.6160 4.1051 4.1051 4.8229 4.8229 6.1284 6.1284 7.3596 7.3596 7.4436 7.4436 7.8984 7.8984 k = 0.0000 0.0000 0.2020 ( 11303 PWs) bands (ev): -41.2791 -41.2791 -41.2603 -41.2603 -41.0638 -41.0638 -41.0580 -41.0580 -9.7867 -9.7867 -9.7476 -9.7476 -9.7280 -9.7280 -9.7181 -9.7181 -9.3288 -9.3288 -9.3203 -9.3203 -9.2509 -9.2509 -9.2408 -9.2408 -9.2044 -9.2044 -9.1619 -9.1619 -3.0514 -3.0514 1.2338 1.2338 3.6023 3.6023 4.0865 4.0865 4.7841 4.7841 6.0948 6.0948 7.3735 7.3735 7.4970 7.4970 7.7752 7.7752 k = 0.0000 0.0000 0.1851 ( 11307 PWs) bands (ev): -41.2793 -41.2793 -41.2601 -41.2601 -41.0638 -41.0638 -41.0579 -41.0579 -9.7866 -9.7866 -9.7467 -9.7467 -9.7282 -9.7282 -9.7187 -9.7187 -9.3296 -9.3296 -9.3200 -9.3200 -9.2510 -9.2510 -9.2403 -9.2403 -9.2038 -9.2038 -9.1633 -9.1633 -3.0829 -3.0829 1.3385 1.3385 3.5923 3.5923 4.0691 4.0691 4.7483 4.7483 6.0637 6.0637 7.3841 7.3841 7.5239 7.5239 7.6724 7.6724 k = 0.0000 0.0000 0.1683 ( 11311 PWs) bands (ev): -41.2796 -41.2796 -41.2599 -41.2599 -41.0639 -41.0639 -41.0578 -41.0578 -9.7865 -9.7865 -9.7457 -9.7457 -9.7283 -9.7283 -9.7193 -9.7193 -9.3305 -9.3305 -9.3197 -9.3197 -9.2513 -9.2513 -9.2395 -9.2395 -9.2030 -9.2030 -9.1647 -9.1647 -3.1117 -3.1117 1.4379 1.4379 3.5861 3.5861 4.0532 4.0532 4.7155 4.7155 6.0352 6.0352 7.3920 7.3920 7.4585 7.4585 7.6585 7.6585 k = 0.0000 0.0000 0.1515 ( 11311 PWs) bands (ev): -41.2798 -41.2798 -41.2598 -41.2598 -41.0639 -41.0639 -41.0578 -41.0578 -9.7864 -9.7864 -9.7448 -9.7448 -9.7285 -9.7285 -9.7200 -9.7200 -9.3312 -9.3312 -9.3194 -9.3194 -9.2519 -9.2519 -9.2385 -9.2385 -9.2021 -9.2021 -9.1663 -9.1663 -3.1377 -3.1377 1.5311 1.5311 3.5837 3.5837 4.0386 4.0386 4.6858 4.6858 6.0093 6.0093 7.3406 7.3406 7.3985 7.3985 7.6954 7.6954 k = 0.0000 0.0000 0.1346 ( 11307 PWs) bands (ev): -41.2800 -41.2800 -41.2596 -41.2596 -41.0640 -41.0640 -41.0577 -41.0577 -9.7862 -9.7862 -9.7439 -9.7439 -9.7287 -9.7287 -9.7206 -9.7206 -9.3320 -9.3320 -9.3191 -9.3191 -9.2526 -9.2526 -9.2374 -9.2374 -9.2011 -9.2011 -9.1679 -9.1679 -3.1610 -3.1610 1.6171 1.6171 3.5848 3.5848 4.0256 4.0256 4.6592 4.6592 5.9860 5.9860 7.2189 7.2189 7.4029 7.4029 7.7375 7.7375 k = 0.0000 0.0000 0.1178 ( 11279 PWs) bands (ev): -41.2801 -41.2801 -41.2595 -41.2595 -41.0640 -41.0640 -41.0576 -41.0576 -9.7861 -9.7861 -9.7430 -9.7430 -9.7289 -9.7289 -9.7213 -9.7213 -9.3326 -9.3326 -9.3188 -9.3188 -9.2532 -9.2532 -9.2364 -9.2364 -9.2000 -9.2000 -9.1696 -9.1696 -3.1816 -3.1816 1.6952 1.6952 3.5891 3.5891 4.0140 4.0140 4.6357 4.6357 5.9654 5.9654 7.1020 7.1020 7.4062 7.4062 7.7776 7.7776 k = 0.0000 0.0000 0.1010 ( 11277 PWs) bands (ev): -41.2803 -41.2803 -41.2594 -41.2594 -41.0640 -41.0640 -41.0576 -41.0576 -9.7860 -9.7860 -9.7421 -9.7421 -9.7291 -9.7291 -9.7220 -9.7220 -9.3332 -9.3332 -9.3185 -9.3185 -9.2539 -9.2539 -9.2355 -9.2355 -9.1988 -9.1988 -9.1713 -9.1713 -3.1994 -3.1994 1.7643 1.7643 3.5961 3.5961 4.0040 4.0040 4.6153 4.6153 5.9475 5.9475 6.9938 6.9938 7.4087 7.4087 7.8137 7.8137 k = 0.0000 0.0000 0.0842 ( 11281 PWs) bands (ev): -41.2804 -41.2804 -41.2593 -41.2593 -41.0640 -41.0640 -41.0575 -41.0575 -9.7859 -9.7859 -9.7412 -9.7412 -9.7294 -9.7294 -9.7226 -9.7226 -9.3337 -9.3337 -9.3183 -9.3183 -9.2545 -9.2545 -9.2346 -9.2346 -9.1976 -9.1976 -9.1730 -9.1730 -3.2144 -3.2144 1.8239 1.8239 3.6049 3.6049 3.9955 3.9955 4.5981 4.5981 5.9323 5.9323 6.8972 6.8972 7.4105 7.4105 7.8452 7.8452 k = 0.0000 0.0000 0.0673 ( 11277 PWs) bands (ev): -41.2805 -41.2805 -41.2592 -41.2592 -41.0640 -41.0640 -41.0575 -41.0575 -9.7857 -9.7857 -9.7404 -9.7404 -9.7297 -9.7297 -9.7231 -9.7231 -9.3341 -9.3341 -9.3181 -9.3181 -9.2550 -9.2550 -9.2339 -9.2339 -9.1963 -9.1963 -9.1746 -9.1746 -3.2268 -3.2268 1.8733 1.8733 3.6144 3.6144 3.9886 3.9886 4.5839 4.5839 5.9198 5.9198 6.8143 6.8143 7.4117 7.4117 7.8714 7.8714 k = 0.0000 0.0000 0.0505 ( 11297 PWs) bands (ev): -41.2806 -41.2806 -41.2591 -41.2591 -41.0641 -41.0641 -41.0575 -41.0575 -9.7857 -9.7857 -9.7397 -9.7397 -9.7301 -9.7301 -9.7235 -9.7235 -9.3345 -9.3345 -9.3179 -9.3179 -9.2554 -9.2554 -9.2333 -9.2333 -9.1951 -9.1951 -9.1761 -9.1761 -3.2364 -3.2364 1.9121 1.9121 3.6235 3.6235 3.9833 3.9833 4.5729 4.5729 5.9102 5.9102 6.7473 6.7473 7.4126 7.4126 7.8920 7.8920 k = 0.0000 0.0000 0.0337 ( 11299 PWs) bands (ev): -41.2806 -41.2806 -41.2591 -41.2591 -41.0641 -41.0641 -41.0575 -41.0575 -9.7856 -9.7856 -9.7391 -9.7391 -9.7304 -9.7304 -9.7238 -9.7238 -9.3347 -9.3347 -9.3178 -9.3178 -9.2557 -9.2557 -9.2329 -9.2329 -9.1941 -9.1941 -9.1774 -9.1774 -3.2432 -3.2432 1.9400 1.9400 3.6311 3.6311 3.9795 3.9795 4.5650 4.5650 5.9032 5.9032 6.6980 6.6980 7.4132 7.4132 7.9070 7.9070 k = 0.0000 0.0000 0.0168 ( 11289 PWs) bands (ev): -41.2807 -41.2807 -41.2591 -41.2591 -41.0641 -41.0641 -41.0574 -41.0574 -9.7855 -9.7855 -9.7387 -9.7387 -9.7306 -9.7306 -9.7240 -9.7240 -9.3349 -9.3349 -9.3177 -9.3177 -9.2558 -9.2558 -9.2326 -9.2326 -9.1934 -9.1934 -9.1782 -9.1782 -3.2473 -3.2473 1.9568 1.9568 3.6361 3.6361 3.9772 3.9772 4.5603 4.5603 5.8991 5.8991 6.6678 6.6678 7.4135 7.4135 7.9160 7.9160 k = 0.0000 0.0000 0.0000 ( 11287 PWs) bands (ev): -41.2807 -41.2807 -41.2590 -41.2590 -41.0641 -41.0641 -41.0574 -41.0574 -9.7855 -9.7855 -9.7386 -9.7386 -9.7307 -9.7307 -9.7240 -9.7240 -9.3349 -9.3349 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1931 -9.1931 -9.1785 -9.1785 -3.2487 -3.2487 1.9624 1.9624 3.6378 3.6378 3.9765 3.9765 4.5587 4.5587 5.8977 5.8977 6.6577 6.6577 7.4136 7.4136 7.9190 7.9190 k = 0.0000 0.0000 0.0000 ( 11287 PWs) bands (ev): -41.2807 -41.2807 -41.2590 -41.2590 -41.0641 -41.0641 -41.0574 -41.0574 -9.7855 -9.7855 -9.7386 -9.7386 -9.7307 -9.7307 -9.7240 -9.7240 -9.3349 -9.3349 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1931 -9.1931 -9.1785 -9.1785 -3.2487 -3.2487 1.9624 1.9624 3.6378 3.6378 3.9765 3.9765 4.5587 4.5587 5.8977 5.8977 6.6577 6.6577 7.4136 7.4136 7.9190 7.9190 k =-0.0152 0.0072 0.0000 ( 11293 PWs) bands (ev): -41.2807 -41.2807 -41.2590 -41.2590 -41.0641 -41.0641 -41.0574 -41.0574 -9.7855 -9.7855 -9.7386 -9.7386 -9.7307 -9.7307 -9.7240 -9.7240 -9.3349 -9.3349 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1931 -9.1931 -9.1785 -9.1785 -3.2480 -3.2480 1.9533 1.9533 3.6393 3.6393 3.9866 3.9866 4.5524 4.5524 5.9069 5.9069 6.6585 6.6585 7.4119 7.4119 7.9220 7.9220 k =-0.0303 0.0145 0.0000 ( 11299 PWs) bands (ev): -41.2807 -41.2807 -41.2591 -41.2591 -41.0641 -41.0641 -41.0574 -41.0574 -9.7855 -9.7855 -9.7386 -9.7386 -9.7307 -9.7307 -9.7240 -9.7240 -9.3349 -9.3349 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1931 -9.1931 -9.1785 -9.1785 -3.2458 -3.2458 1.9269 1.9269 3.6437 3.6437 4.0162 4.0162 4.5340 4.5340 5.9339 5.9339 6.6610 6.6610 7.4070 7.4070 7.9308 7.9308 k =-0.0455 0.0217 0.0000 ( 11303 PWs) bands (ev): -41.2806 -41.2806 -41.2591 -41.2591 -41.0641 -41.0641 -41.0574 -41.0574 -9.7855 -9.7855 -9.7385 -9.7385 -9.7307 -9.7307 -9.7241 -9.7241 -9.3348 -9.3348 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1931 -9.1931 -9.1786 -9.1786 -3.2422 -3.2422 1.8845 1.8845 3.6509 3.6509 4.0639 4.0639 4.5050 4.5050 5.9775 5.9775 6.6653 6.6653 7.3990 7.3990 7.9455 7.9455 k =-0.0606 0.0290 0.0000 ( 11309 PWs) bands (ev): -41.2806 -41.2806 -41.2591 -41.2591 -41.0641 -41.0641 -41.0574 -41.0574 -9.7855 -9.7855 -9.7385 -9.7385 -9.7307 -9.7307 -9.7241 -9.7241 -9.3348 -9.3348 -9.3177 -9.3177 -9.2559 -9.2559 -9.2325 -9.2325 -9.1930 -9.1930 -9.1787 -9.1787 -3.2372 -3.2372 1.8286 1.8286 3.6609 3.6609 4.1273 4.1273 4.4672 4.4672 6.0355 6.0355 6.6713 6.6713 7.3881 7.3881 7.9658 7.9658 k =-0.0758 0.0362 0.0000 ( 11297 PWs) bands (ev): -41.2806 -41.2806 -41.2592 -41.2592 -41.0641 -41.0641 -41.0574 -41.0574 -9.7854 -9.7854 -9.7385 -9.7385 -9.7307 -9.7307 -9.7241 -9.7241 -9.3347 -9.3347 -9.3177 -9.3177 -9.2558 -9.2558 -9.2326 -9.2326 -9.1930 -9.1930 -9.1788 -9.1788 -3.2309 -3.2309 1.7616 1.7616 3.6735 3.6735 4.2038 4.2038 4.4226 4.4226 6.1062 6.1062 6.6791 6.6791 7.3744 7.3744 7.9916 7.9916 k =-0.0909 0.0435 0.0000 ( 11293 PWs) bands (ev): -41.2805 -41.2805 -41.2592 -41.2592 -41.0641 -41.0641 -41.0574 -41.0574 -9.7854 -9.7854 -9.7384 -9.7384 -9.7307 -9.7307 -9.7241 -9.7241 -9.3346 -9.3346 -9.3178 -9.3178 -9.2558 -9.2558 -9.2326 -9.2326 -9.1929 -9.1929 -9.1789 -9.1789 -3.2231 -3.2231 1.6858 1.6858 3.6889 3.6889 4.2908 4.2908 4.3732 4.3732 6.1874 6.1874 6.6890 6.6890 7.3583 7.3583 8.0228 8.0228 k =-0.1061 0.0507 0.0000 ( 11291 PWs) bands (ev): -41.2804 -41.2804 -41.2593 -41.2593 -41.0641 -41.0641 -41.0574 -41.0574 -9.7853 -9.7853 -9.7383 -9.7383 -9.7307 -9.7307 -9.7242 -9.7242 -9.3345 -9.3345 -9.3178 -9.3178 -9.2558 -9.2558 -9.2326 -9.2326 -9.1929 -9.1929 -9.1790 -9.1790 -3.2140 -3.2140 1.6034 1.6034 3.7069 3.7069 4.3203 4.3203 4.3861 4.3861 6.2776 6.2776 6.7009 6.7009 7.3400 7.3400 8.0593 8.0593 k =-0.1212 0.0580 0.0000 ( 11285 PWs) bands (ev): -41.2804 -41.2804 -41.2593 -41.2593 -41.0641 -41.0641 -41.0574 -41.0574 -9.7852 -9.7852 -9.7382 -9.7382 -9.7307 -9.7307 -9.7242 -9.7242 -9.3344 -9.3344 -9.3178 -9.3178 -9.2557 -9.2557 -9.2326 -9.2326 -9.1928 -9.1928 -9.1792 -9.1792 -3.2036 -3.2036 1.5163 1.5163 3.7275 3.7275 4.2656 4.2656 4.4873 4.4873 6.3756 6.3756 6.7150 6.7150 7.3196 7.3196 8.1011 8.1011 k =-0.1364 0.0652 0.0000 ( 11295 PWs) bands (ev): -41.2803 -41.2803 -41.2594 -41.2594 -41.0641 -41.0641 -41.0574 -41.0574 -9.7852 -9.7852 -9.7382 -9.7382 -9.7307 -9.7307 -9.7243 -9.7243 -9.3343 -9.3343 -9.3178 -9.3178 -9.2557 -9.2557 -9.2326 -9.2326 -9.1927 -9.1927 -9.1793 -9.1793 -3.1920 -3.1920 1.4259 1.4259 3.7507 3.7507 4.2098 4.2098 4.5928 4.5928 6.4801 6.4801 6.7317 6.7317 7.2973 7.2973 8.1481 8.1481 k =-0.1515 0.0724 0.0000 ( 11289 PWs) bands (ev): -41.2802 -41.2802 -41.2595 -41.2595 -41.0641 -41.0641 -41.0574 -41.0574 -9.7851 -9.7851 -9.7381 -9.7381 -9.7307 -9.7307 -9.7243 -9.7243 -9.3342 -9.3342 -9.3179 -9.3179 -9.2556 -9.2556 -9.2326 -9.2326 -9.1926 -9.1926 -9.1795 -9.1795 -3.1792 -3.1792 1.3336 1.3336 3.7764 3.7764 4.1539 4.1539 4.7009 4.7009 6.5901 6.5901 6.7511 6.7511 7.2733 7.2733 8.2005 8.2005 k =-0.1667 0.0797 0.0000 ( 11301 PWs) bands (ev): -41.2801 -41.2801 -41.2596 -41.2596 -41.0641 -41.0641 -41.0574 -41.0574 -9.7850 -9.7850 -9.7380 -9.7380 -9.7307 -9.7307 -9.7244 -9.7244 -9.3341 -9.3341 -9.3179 -9.3179 -9.2555 -9.2555 -9.2326 -9.2326 -9.1925 -9.1925 -9.1797 -9.1797 -3.1653 -3.1653 1.2403 1.2403 3.8046 3.8046 4.0985 4.0985 4.8103 4.8103 6.7035 6.7035 6.7747 6.7747 7.2478 7.2478 8.2581 8.2581 k =-0.1818 0.0869 0.0000 ( 11299 PWs) bands (ev): -41.2800 -41.2800 -41.2597 -41.2597 -41.0641 -41.0641 -41.0574 -41.0574 -9.7849 -9.7849 -9.7379 -9.7379 -9.7307 -9.7307 -9.7244 -9.7244 -9.3339 -9.3339 -9.3180 -9.3180 -9.2555 -9.2555 -9.2326 -9.2326 -9.1924 -9.1924 -9.1799 -9.1799 -3.1504 -3.1504 1.1468 1.1468 3.8352 3.8352 4.0440 4.0440 4.9196 4.9196 6.7883 6.7883 6.8344 6.8344 7.2209 7.2209 8.3208 8.3208 k =-0.1970 0.0942 0.0000 ( 11301 PWs) bands (ev): -41.2799 -41.2799 -41.2598 -41.2598 -41.0641 -41.0641 -41.0574 -41.0574 -9.7848 -9.7848 -9.7378 -9.7378 -9.7307 -9.7307 -9.7245 -9.7245 -9.3338 -9.3338 -9.3180 -9.3180 -9.2554 -9.2554 -9.2326 -9.2326 -9.1923 -9.1923 -9.1801 -9.1801 -3.1344 -3.1344 1.0539 1.0539 3.8680 3.8680 3.9910 3.9910 5.0277 5.0277 6.8200 6.8200 6.9539 6.9539 7.1930 7.1930 8.2701 8.2701 k =-0.2121 0.1014 0.0000 ( 11301 PWs) bands (ev): -41.2798 -41.2798 -41.2599 -41.2599 -41.0641 -41.0641 -41.0574 -41.0574 -9.7847 -9.7847 -9.7376 -9.7376 -9.7307 -9.7307 -9.7246 -9.7246 -9.3336 -9.3336 -9.3180 -9.3180 -9.2554 -9.2554 -9.2326 -9.2326 -9.1922 -9.1922 -9.1803 -9.1803 -3.1177 -3.1177 0.9622 0.9622 3.9017 3.9017 3.9410 3.9410 5.1337 5.1337 6.8507 6.8507 7.0791 7.0791 7.1658 7.1658 8.1261 8.1261 k =-0.2273 0.1087 0.0000 ( 11295 PWs) bands (ev): -41.2797 -41.2797 -41.2600 -41.2600 -41.0641 -41.0641 -41.0574 -41.0574 -9.7846 -9.7846 -9.7375 -9.7375 -9.7307 -9.7307 -9.7246 -9.7246 -9.3335 -9.3335 -9.3181 -9.3181 -9.2553 -9.2553 -9.2326 -9.2326 -9.1921 -9.1921 -9.1805 -9.1805 -3.1001 -3.1001 0.8721 0.8721 3.8873 3.8873 3.9432 3.9432 5.2368 5.2368 6.8837 6.8837 7.1277 7.1277 7.2182 7.2182 7.9850 7.9850 k =-0.2424 0.1159 0.0000 ( 11299 PWs) bands (ev): -41.2796 -41.2796 -41.2601 -41.2601 -41.0641 -41.0641 -41.0574 -41.0574 -9.7845 -9.7845 -9.7374 -9.7374 -9.7307 -9.7307 -9.7247 -9.7247 -9.3333 -9.3333 -9.3181 -9.3181 -9.2552 -9.2552 -9.2326 -9.2326 -9.1920 -9.1920 -9.1808 -9.1808 -3.0819 -3.0819 0.7841 0.7841 3.8406 3.8406 3.9818 3.9818 5.3361 5.3361 6.9191 6.9191 7.0987 7.0987 7.3507 7.3507 7.8473 7.8473 k =-0.2576 0.1231 0.0000 ( 11291 PWs) bands (ev): -41.2794 -41.2794 -41.2602 -41.2602 -41.0641 -41.0641 -41.0574 -41.0574 -9.7844 -9.7844 -9.7373 -9.7373 -9.7307 -9.7307 -9.7248 -9.7248 -9.3331 -9.3331 -9.3182 -9.3182 -9.2551 -9.2551 -9.2326 -9.2326 -9.1919 -9.1919 -9.1810 -9.1810 -3.0632 -3.0632 0.6987 0.6987 3.7953 3.7953 4.0231 4.0231 5.4310 5.4310 6.9563 6.9563 7.0678 7.0678 7.4872 7.4872 7.7140 7.7140 k =-0.2727 0.1304 0.0000 ( 11317 PWs) bands (ev): -41.2793 -41.2793 -41.2604 -41.2604 -41.0641 -41.0641 -41.0574 -41.0574 -9.7843 -9.7843 -9.7371 -9.7371 -9.7307 -9.7307 -9.7248 -9.7248 -9.3330 -9.3330 -9.3182 -9.3182 -9.2551 -9.2551 -9.2326 -9.2326 -9.1918 -9.1918 -9.1812 -9.1812 -3.0441 -3.0441 0.6162 0.6162 3.7522 3.7522 4.0663 4.0663 5.5212 5.5212 6.9906 6.9906 7.0409 7.0409 7.5724 7.5724 7.6389 7.6389 k =-0.2879 0.1376 0.0000 ( 11337 PWs) bands (ev): -41.2792 -41.2792 -41.2605 -41.2605 -41.0642 -41.0642 -41.0575 -41.0575 -9.7842 -9.7842 -9.7370 -9.7370 -9.7307 -9.7307 -9.7249 -9.7249 -9.3328 -9.3328 -9.3183 -9.3183 -9.2550 -9.2550 -9.2326 -9.2326 -9.1917 -9.1917 -9.1815 -9.1815 -3.0249 -3.0249 0.5370 0.5370 3.7116 3.7116 4.1111 4.1111 5.6063 5.6063 6.9884 6.9884 7.0518 7.0518 7.4530 7.4530 7.7749 7.7749 k =-0.3030 0.1449 0.0000 ( 11329 PWs) bands (ev): -41.2791 -41.2791 -41.2606 -41.2606 -41.0642 -41.0642 -41.0574 -41.0574 -9.7841 -9.7841 -9.7369 -9.7369 -9.7307 -9.7307 -9.7250 -9.7250 -9.3326 -9.3326 -9.3183 -9.3183 -9.2549 -9.2549 -9.2326 -9.2326 -9.1916 -9.1916 -9.1817 -9.1817 -3.0056 -3.0056 0.4613 0.4613 3.6734 3.6734 4.1572 4.1572 5.6862 5.6862 6.9577 6.9577 7.0915 7.0915 7.3318 7.3318 7.9194 7.9194 k =-0.3182 0.1521 0.0000 ( 11325 PWs) bands (ev): -41.2790 -41.2790 -41.2607 -41.2607 -41.0642 -41.0642 -41.0574 -41.0574 -9.7840 -9.7840 -9.7367 -9.7367 -9.7307 -9.7307 -9.7250 -9.7250 -9.3325 -9.3325 -9.3184 -9.3184 -9.2549 -9.2549 -9.2326 -9.2326 -9.1914 -9.1914 -9.1819 -9.1819 -2.9864 -2.9864 0.3895 0.3895 3.6378 3.6378 4.2043 4.2043 5.7609 5.7609 6.9233 6.9233 7.1322 7.1322 7.2180 7.2180 8.0660 8.0660 k =-0.3333 0.1594 0.0000 ( 11327 PWs) bands (ev): -41.2789 -41.2789 -41.2608 -41.2608 -41.0642 -41.0642 -41.0574 -41.0574 -9.7839 -9.7839 -9.7366 -9.7366 -9.7308 -9.7308 -9.7251 -9.7251 -9.3323 -9.3323 -9.3184 -9.3184 -9.2548 -9.2548 -9.2326 -9.2326 -9.1913 -9.1913 -9.1821 -9.1821 -2.9676 -2.9676 0.3220 0.3220 3.6050 3.6050 4.2520 4.2520 5.8306 5.8306 6.8879 6.8879 7.0942 7.0942 7.1886 7.1886 8.2139 8.2139 k =-0.3485 0.1666 0.0000 ( 11335 PWs) bands (ev): -41.2788 -41.2788 -41.2609 -41.2609 -41.0642 -41.0642 -41.0575 -41.0575 -9.7839 -9.7839 -9.7365 -9.7365 -9.7308 -9.7308 -9.7251 -9.7251 -9.3322 -9.3322 -9.3185 -9.3185 -9.2548 -9.2548 -9.2326 -9.2326 -9.1912 -9.1912 -9.1823 -9.1823 -2.9494 -2.9494 0.2590 0.2590 3.5748 3.5748 4.2999 4.2999 5.8955 5.8955 6.8518 6.8518 6.9903 6.9903 7.2305 7.2305 8.3622 8.3622 k =-0.3636 0.1739 0.0000 ( 11329 PWs) bands (ev): -41.2787 -41.2787 -41.2610 -41.2610 -41.0642 -41.0642 -41.0575 -41.0575 -9.7838 -9.7838 -9.7364 -9.7364 -9.7308 -9.7308 -9.7252 -9.7252 -9.3320 -9.3320 -9.3185 -9.3185 -9.2547 -9.2547 -9.2326 -9.2326 -9.1912 -9.1912 -9.1825 -9.1825 -2.9319 -2.9319 0.2008 0.2008 3.5474 3.5474 4.3475 4.3475 5.9558 5.9558 6.8147 6.8147 6.8906 6.8906 7.2738 7.2738 8.5102 8.5102 k =-0.3788 0.1811 0.0000 ( 11325 PWs) bands (ev): -41.2786 -41.2786 -41.2611 -41.2611 -41.0642 -41.0642 -41.0575 -41.0575 -9.7837 -9.7837 -9.7363 -9.7363 -9.7308 -9.7308 -9.7252 -9.7252 -9.3319 -9.3319 -9.3186 -9.3186 -9.2547 -9.2547 -9.2326 -9.2326 -9.1911 -9.1911 -9.1827 -9.1827 -2.9154 -2.9154 0.1478 0.1478 3.5228 3.5228 4.3942 4.3942 6.0120 6.0120 6.7722 6.7722 6.8025 6.8025 7.3154 7.3154 8.6566 8.6566 k =-0.3939 0.1883 0.0000 ( 11313 PWs) bands (ev): -41.2785 -41.2785 -41.2612 -41.2612 -41.0642 -41.0642 -41.0574 -41.0574 -9.7836 -9.7836 -9.7362 -9.7362 -9.7309 -9.7309 -9.7253 -9.7253 -9.3318 -9.3318 -9.3186 -9.3186 -9.2546 -9.2546 -9.2326 -9.2326 -9.1910 -9.1910 -9.1828 -9.1828 -2.9002 -2.9002 0.1001 0.1001 3.5010 3.5010 4.4391 4.4391 6.0641 6.0641 6.7013 6.7013 6.7505 6.7505 7.3543 7.3543 8.7998 8.7998 k =-0.4091 0.1956 0.0000 ( 11311 PWs) bands (ev): -41.2784 -41.2784 -41.2613 -41.2613 -41.0642 -41.0642 -41.0574 -41.0574 -9.7836 -9.7836 -9.7361 -9.7361 -9.7309 -9.7309 -9.7253 -9.7253 -9.3317 -9.3317 -9.3186 -9.3186 -9.2546 -9.2546 -9.2326 -9.2326 -9.1909 -9.1909 -9.1830 -9.1830 -2.8865 -2.8865 0.0582 0.0582 3.4821 3.4821 4.4814 4.4814 6.1124 6.1124 6.6241 6.6241 6.7135 6.7135 7.3897 7.3897 8.9377 8.9377 k =-0.4242 0.2028 0.0000 ( 11313 PWs) bands (ev): -41.2783 -41.2783 -41.2613 -41.2613 -41.0642 -41.0642 -41.0574 -41.0574 -9.7835 -9.7835 -9.7360 -9.7360 -9.7309 -9.7309 -9.7254 -9.7254 -9.3316 -9.3316 -9.3187 -9.3187 -9.2545 -9.2545 -9.2326 -9.2326 -9.1909 -9.1909 -9.1831 -9.1831 -2.8744 -2.8744 0.0222 0.0222 3.4660 3.4660 4.5201 4.5201 6.1567 6.1567 6.5547 6.5547 6.6791 6.6791 7.4209 7.4209 9.0672 9.0672 k =-0.4394 0.2101 0.0000 ( 11316 PWs) bands (ev): -41.2783 -41.2783 -41.2614 -41.2614 -41.0642 -41.0642 -41.0574 -41.0574 -9.7835 -9.7835 -9.7359 -9.7359 -9.7309 -9.7309 -9.7254 -9.7254 -9.3315 -9.3315 -9.3187 -9.3187 -9.2545 -9.2545 -9.2326 -9.2326 -9.1908 -9.1908 -9.1832 -9.1832 -2.8642 -2.8642 -0.0076 -0.0076 3.4529 3.4529 4.5541 4.5541 6.1967 6.1967 6.4955 6.4955 6.6468 6.6468 7.4474 7.4474 9.1843 9.1843 k =-0.4545 0.2173 0.0000 ( 11344 PWs) bands (ev): -41.2782 -41.2782 -41.2614 -41.2614 -41.0642 -41.0642 -41.0575 -41.0575 -9.7834 -9.7834 -9.7359 -9.7359 -9.7309 -9.7309 -9.7254 -9.7254 -9.3314 -9.3314 -9.3187 -9.3187 -9.2545 -9.2545 -9.2326 -9.2326 -9.1908 -9.1908 -9.1833 -9.1833 -2.8561 -2.8561 -0.0310 -0.0310 3.4426 3.4426 4.5822 4.5822 6.2316 6.2316 6.4478 6.4478 6.6177 6.6177 7.4685 7.4685 9.2839 9.2839 k =-0.4697 0.2246 0.0000 ( 11340 PWs) bands (ev): -41.2782 -41.2782 -41.2615 -41.2615 -41.0642 -41.0642 -41.0575 -41.0575 -9.7834 -9.7834 -9.7359 -9.7359 -9.7309 -9.7309 -9.7254 -9.7254 -9.3314 -9.3314 -9.3187 -9.3187 -9.2545 -9.2545 -9.2326 -9.2326 -9.1907 -9.1907 -9.1833 -9.1833 -2.8502 -2.8502 -0.0478 -0.0478 3.4353 3.4353 4.6033 4.6033 6.2595 6.2595 6.4129 6.4129 6.5935 6.5935 7.4839 7.4839 9.3604 9.3604 k =-0.4848 0.2318 0.0000 ( 11338 PWs) bands (ev): -41.2782 -41.2782 -41.2615 -41.2615 -41.0642 -41.0642 -41.0575 -41.0575 -9.7834 -9.7834 -9.7358 -9.7358 -9.7309 -9.7309 -9.7254 -9.7254 -9.3314 -9.3314 -9.3187 -9.3187 -9.2545 -9.2545 -9.2326 -9.2326 -9.1907 -9.1907 -9.1834 -9.1834 -2.8466 -2.8466 -0.0580 -0.0580 3.4309 3.4309 4.6164 4.6164 6.2780 6.2780 6.3917 6.3917 6.5769 6.5769 7.4932 7.4932 9.4087 9.4087 k =-0.5000 0.2390 0.0000 ( 11320 PWs) bands (ev): -41.2782 -41.2782 -41.2615 -41.2615 -41.0642 -41.0642 -41.0574 -41.0574 -9.7834 -9.7834 -9.7358 -9.7358 -9.7309 -9.7309 -9.7254 -9.7254 -9.3314 -9.3314 -9.3187 -9.3187 -9.2545 -9.2545 -9.2326 -9.2326 -9.1907 -9.1907 -9.1834 -9.1834 -2.8454 -2.8454 -0.0613 -0.0613 3.4294 3.4294 4.6208 4.6208 6.2846 6.2846 6.3847 6.3847 6.5709 6.5709 7.4964 7.4964 9.4253 9.4253 k =-0.5000 0.2390 0.0000 ( 11320 PWs) bands (ev): -41.2782 -41.2782 -41.2615 -41.2615 -41.0642 -41.0642 -41.0574 -41.0574 -9.7834 -9.7834 -9.7358 -9.7358 -9.7309 -9.7309 -9.7254 -9.7254 -9.3314 -9.3314 -9.3187 -9.3187 -9.2545 -9.2545 -9.2326 -9.2326 -9.1907 -9.1907 -9.1834 -9.1834 -2.8454 -2.8454 -0.0613 -0.0613 3.4294 3.4294 4.6208 4.6208 6.2846 6.2846 6.3847 6.3847 6.5709 6.5709 7.4964 7.4964 9.4253 9.4253 k =-0.4929 0.2540-0.0000 ( 11332 PWs) bands (ev): -41.2782 -41.2782 -41.2615 -41.2615 -41.0642 -41.0642 -41.0575 -41.0575 -9.7834 -9.7834 -9.7358 -9.7358 -9.7309 -9.7309 -9.7254 -9.7254 -9.3314 -9.3314 -9.3187 -9.3187 -9.2544 -9.2544 -9.2326 -9.2326 -9.1907 -9.1907 -9.1834 -9.1834 -2.8449 -2.8449 -0.0603 -0.0603 3.4229 3.4229 4.6217 4.6217 6.2848 6.2848 6.3861 6.3861 6.5775 6.5775 7.4967 7.4967 9.3939 9.3939 k =-0.4857 0.2689-0.0000 ( 11332 PWs) bands (ev): -41.2782 -41.2782 -41.2615 -41.2615 -41.0642 -41.0642 -41.0575 -41.0575 -9.7834 -9.7834 -9.7358 -9.7358 -9.7309 -9.7309 -9.7254 -9.7254 -9.3314 -9.3314 -9.3187 -9.3187 -9.2544 -9.2544 -9.2326 -9.2326 -9.1907 -9.1907 -9.1834 -9.1834 -2.8436 -2.8436 -0.0572 -0.0572 3.4036 3.4036 4.6245 4.6245 6.2856 6.2856 6.3903 6.3903 6.5964 6.5964 7.4981 7.4981 9.3099 9.3099 k =-0.4786 0.2839-0.0000 ( 11326 PWs) bands (ev): -41.2782 -41.2782 -41.2615 -41.2615 -41.0642 -41.0642 -41.0575 -41.0575 -9.7834 -9.7834 -9.7358 -9.7358 -9.7309 -9.7309 -9.7255 -9.7255 -9.3314 -9.3314 -9.3188 -9.3188 -9.2544 -9.2544 -9.2326 -9.2326 -9.1907 -9.1907 -9.1833 -9.1833 -2.8415 -2.8415 -0.0520 -0.0520 3.3721 3.3721 4.6291 4.6291 6.2870 6.2870 6.3973 6.3973 6.6260 6.6260 7.5015 7.5015 9.1925 9.1925 k =-0.4714 0.2988-0.0000 ( 11332 PWs) bands (ev): -41.2782 -41.2782 -41.2614 -41.2614 -41.0641 -41.0641 -41.0575 -41.0575 -9.7834 -9.7834 -9.7358 -9.7358 -9.7309 -9.7309 -9.7255 -9.7255 -9.3314 -9.3314 -9.3188 -9.3188 -9.2544 -9.2544 -9.2325 -9.2325 -9.1908 -9.1908 -9.1833 -9.1833 -2.8385 -2.8385 -0.0448 -0.0448 3.3296 3.3296 4.6356 4.6356 6.2888 6.2888 6.4072 6.4072 6.6634 6.6634 7.5091 7.5091 9.0560 9.0560 k =-0.4643 0.3137-0.0000 ( 11322 PWs) bands (ev): -41.2782 -41.2782 -41.2614 -41.2614 -41.0641 -41.0641 -41.0576 -41.0576 -9.7834 -9.7834 -9.7357 -9.7357 -9.7309 -9.7309 -9.7255 -9.7255 -9.3314 -9.3314 -9.3188 -9.3188 -9.2544 -9.2544 -9.2324 -9.2324 -9.1908 -9.1908 -9.1833 -9.1833 -2.8347 -2.8347 -0.0355 -0.0355 3.2775 3.2775 4.6438 4.6438 6.2912 6.2912 6.4199 6.4199 6.7044 6.7044 7.5236 7.5236 8.9090 8.9090 k =-0.4571 0.3287-0.0000 ( 11314 PWs) bands (ev): -41.2782 -41.2782 -41.2614 -41.2614 -41.0641 -41.0641 -41.0576 -41.0576 -9.7834 -9.7834 -9.7357 -9.7357 -9.7309 -9.7309 -9.7255 -9.7255 -9.3314 -9.3314 -9.3188 -9.3188 -9.2543 -9.2543 -9.2323 -9.2323 -9.1908 -9.1908 -9.1832 -9.1832 -2.8301 -2.8301 -0.0241 -0.0241 3.2171 3.2171 4.6538 4.6538 6.2941 6.2941 6.4355 6.4355 6.7441 6.7441 7.5488 7.5488 8.7564 8.7564 k =-0.4500 0.3436-0.0000 ( 11312 PWs) bands (ev): -41.2782 -41.2782 -41.2613 -41.2613 -41.0641 -41.0641 -41.0577 -41.0577 -9.7834 -9.7834 -9.7356 -9.7356 -9.7309 -9.7309 -9.7255 -9.7255 -9.3314 -9.3314 -9.3189 -9.3189 -9.2543 -9.2543 -9.2322 -9.2322 -9.1908 -9.1908 -9.1832 -9.1832 -2.8248 -2.8248 -0.0107 -0.0107 3.1499 3.1499 4.6654 4.6654 6.2974 6.2974 6.4538 6.4538 6.7770 6.7770 7.5889 7.5889 8.6009 8.6009 k =-0.4429 0.3586-0.0000 ( 11316 PWs) bands (ev): -41.2782 -41.2782 -41.2613 -41.2613 -41.0640 -41.0640 -41.0577 -41.0577 -9.7834 -9.7834 -9.7355 -9.7355 -9.7308 -9.7308 -9.7255 -9.7255 -9.3314 -9.3314 -9.3189 -9.3189 -9.2543 -9.2543 -9.2321 -9.2321 -9.1909 -9.1909 -9.1831 -9.1831 -2.8187 -2.8187 0.0047 0.0047 3.0773 3.0773 4.6786 4.6786 6.3013 6.3013 6.4750 6.4750 6.7987 6.7987 7.6471 7.6471 8.4444 8.4444 k =-0.4357 0.3735-0.0000 ( 11334 PWs) bands (ev): -41.2782 -41.2782 -41.2613 -41.2613 -41.0640 -41.0640 -41.0578 -41.0578 -9.7835 -9.7835 -9.7355 -9.7355 -9.7308 -9.7308 -9.7256 -9.7256 -9.3315 -9.3315 -9.3189 -9.3189 -9.2542 -9.2542 -9.2320 -9.2320 -9.1909 -9.1909 -9.1831 -9.1831 -2.8121 -2.8121 0.0222 0.0222 3.0008 3.0008 4.6933 4.6933 6.3055 6.3055 6.4991 6.4991 6.8065 6.8065 7.7251 7.7251 8.2878 8.2878 k =-0.4286 0.3884-0.0000 ( 11336 PWs) bands (ev): -41.2782 -41.2782 -41.2612 -41.2612 -41.0640 -41.0640 -41.0579 -41.0579 -9.7835 -9.7835 -9.7354 -9.7354 -9.7308 -9.7308 -9.7256 -9.7256 -9.3315 -9.3315 -9.3190 -9.3190 -9.2542 -9.2542 -9.2319 -9.2319 -9.1910 -9.1910 -9.1830 -9.1830 -2.8048 -2.8048 0.0417 0.0417 2.9213 2.9213 4.7094 4.7094 6.3101 6.3101 6.5259 6.5259 6.8004 6.8004 7.8218 7.8218 8.1322 8.1322 k =-0.4214 0.4034-0.0000 ( 11330 PWs) bands (ev): -41.2782 -41.2782 -41.2612 -41.2612 -41.0639 -41.0639 -41.0580 -41.0580 -9.7835 -9.7835 -9.7353 -9.7353 -9.7308 -9.7308 -9.7256 -9.7256 -9.3315 -9.3315 -9.3190 -9.3190 -9.2541 -9.2541 -9.2317 -9.2317 -9.1910 -9.1910 -9.1829 -9.1829 -2.7971 -2.7971 0.0633 0.0633 2.8400 2.8400 4.7268 4.7268 6.3152 6.3152 6.5556 6.5556 6.7817 6.7817 7.9334 7.9334 7.9796 7.9796 k =-0.4143 0.4183-0.0000 ( 11334 PWs) bands (ev): -41.2782 -41.2782 -41.2611 -41.2611 -41.0639 -41.0639 -41.0581 -41.0581 -9.7835 -9.7835 -9.7352 -9.7352 -9.7307 -9.7307 -9.7256 -9.7256 -9.3315 -9.3315 -9.3191 -9.3191 -9.2540 -9.2540 -9.2315 -9.2315 -9.1910 -9.1910 -9.1828 -9.1828 -2.7889 -2.7889 0.0868 0.0868 2.7578 2.7578 4.7453 4.7453 6.3205 6.3205 6.5881 6.5881 6.7527 6.7527 7.8242 7.8242 8.0634 8.0634 k =-0.4071 0.4333-0.0000 ( 11330 PWs) bands (ev): -41.2782 -41.2782 -41.2611 -41.2611 -41.0638 -41.0638 -41.0582 -41.0582 -9.7835 -9.7835 -9.7352 -9.7352 -9.7307 -9.7307 -9.7257 -9.7257 -9.3315 -9.3315 -9.3191 -9.3191 -9.2540 -9.2540 -9.2314 -9.2314 -9.1911 -9.1911 -9.1828 -9.1828 -2.7804 -2.7804 0.1123 0.1123 2.6755 2.6755 4.7647 4.7647 6.3262 6.3262 6.6233 6.6233 6.7153 6.7153 7.6737 7.6737 8.2016 8.2016 k =-0.4000 0.4482-0.0000 ( 11332 PWs) bands (ev): -41.2782 -41.2782 -41.2610 -41.2610 -41.0637 -41.0637 -41.0583 -41.0583 -9.7835 -9.7835 -9.7351 -9.7351 -9.7307 -9.7307 -9.7257 -9.7257 -9.3316 -9.3316 -9.3192 -9.3192 -9.2539 -9.2539 -9.2312 -9.2312 -9.1912 -9.1912 -9.1827 -9.1827 -2.7716 -2.7716 0.1397 0.1397 2.5939 2.5939 4.7849 4.7849 6.3321 6.3321 6.6588 6.6588 6.6737 6.6737 7.5253 7.5253 8.3486 8.3486 k =-0.3929 0.4631-0.0000 ( 11324 PWs) bands (ev): -41.2782 -41.2782 -41.2610 -41.2610 -41.0637 -41.0637 -41.0584 -41.0584 -9.7835 -9.7835 -9.7350 -9.7350 -9.7306 -9.7306 -9.7257 -9.7257 -9.3316 -9.3316 -9.3192 -9.3192 -9.2539 -9.2539 -9.2310 -9.2310 -9.1912 -9.1912 -9.1826 -9.1826 -2.7627 -2.7627 0.1692 0.1692 2.5135 2.5135 4.8057 4.8057 6.3382 6.3382 6.6207 6.6207 6.7032 6.7032 7.3795 7.3795 8.5024 8.5024 k =-0.3857 0.4781-0.0000 ( 11320 PWs) bands (ev): -41.2782 -41.2782 -41.2609 -41.2609 -41.0636 -41.0636 -41.0585 -41.0585 -9.7836 -9.7836 -9.7349 -9.7349 -9.7306 -9.7306 -9.7258 -9.7258 -9.3316 -9.3316 -9.3193 -9.3193 -9.2538 -9.2538 -9.2309 -9.2309 -9.1913 -9.1913 -9.1825 -9.1825 -2.7537 -2.7537 0.2005 0.2005 2.4349 2.4349 4.8267 4.8267 6.3442 6.3442 6.5672 6.5672 6.7467 6.7467 7.2365 7.2365 8.6611 8.6611 k =-0.3786 0.4930-0.0000 ( 11336 PWs) bands (ev): -41.2782 -41.2782 -41.2608 -41.2608 -41.0635 -41.0635 -41.0586 -41.0586 -9.7836 -9.7836 -9.7348 -9.7348 -9.7306 -9.7306 -9.7258 -9.7258 -9.3317 -9.3317 -9.3193 -9.3193 -9.2537 -9.2537 -9.2307 -9.2307 -9.1913 -9.1913 -9.1824 -9.1824 -2.7448 -2.7448 0.2337 0.2337 2.3587 2.3587 4.8478 4.8478 6.3501 6.3501 6.5102 6.5102 6.7931 6.7931 7.0966 7.0966 8.7794 8.8228 k =-0.3714 0.5080-0.0000 ( 11332 PWs) bands (ev): -41.2782 -41.2782 -41.2608 -41.2608 -41.0635 -41.0635 -41.0588 -41.0588 -9.7836 -9.7836 -9.7347 -9.7347 -9.7305 -9.7305 -9.7258 -9.7258 -9.3317 -9.3317 -9.3194 -9.3194 -9.2537 -9.2537 -9.2305 -9.2305 -9.1914 -9.1914 -9.1823 -9.1823 -2.7361 -2.7361 0.2688 0.2688 2.2852 2.2852 4.8687 4.8687 6.3554 6.3554 6.4507 6.4507 6.8422 6.8422 6.9603 6.9603 8.6697 8.6697 k =-0.3643 0.5229-0.0000 ( 11328 PWs) bands (ev): -41.2783 -41.2783 -41.2607 -41.2607 -41.0634 -41.0634 -41.0589 -41.0589 -9.7836 -9.7836 -9.7346 -9.7346 -9.7305 -9.7305 -9.7259 -9.7259 -9.3318 -9.3318 -9.3195 -9.3195 -9.2536 -9.2536 -9.2303 -9.2303 -9.1914 -9.1914 -9.1822 -9.1822 -2.7277 -2.7277 0.3057 0.3057 2.2149 2.2149 4.8889 4.8889 6.3585 6.3585 6.3903 6.3903 6.8273 6.8273 6.8950 6.8950 8.5647 8.5647 k =-0.3571 0.5379-0.0000 ( 11328 PWs) bands (ev): -41.2783 -41.2783 -41.2606 -41.2606 -41.0633 -41.0633 -41.0590 -41.0590 -9.7837 -9.7837 -9.7345 -9.7345 -9.7304 -9.7304 -9.7259 -9.7259 -9.3318 -9.3318 -9.3195 -9.3195 -9.2535 -9.2535 -9.2301 -9.2301 -9.1915 -9.1915 -9.1821 -9.1821 -2.7197 -2.7197 0.3444 0.3444 2.1482 2.1482 4.9081 4.9081 6.3229 6.3229 6.3643 6.3643 6.7012 6.7012 6.9494 6.9494 8.4652 8.4652 k =-0.3500 0.5528-0.0000 ( 11328 PWs) bands (ev): -41.2783 -41.2783 -41.2606 -41.2606 -41.0632 -41.0632 -41.0592 -41.0592 -9.7837 -9.7837 -9.7345 -9.7345 -9.7304 -9.7304 -9.7259 -9.7259 -9.3318 -9.3318 -9.3196 -9.3196 -9.2535 -9.2535 -9.2299 -9.2299 -9.1915 -9.1915 -9.1820 -9.1820 -2.7123 -2.7123 0.3848 0.3848 2.0853 2.0853 4.9260 4.9260 6.2591 6.2591 6.3583 6.3583 6.5852 6.5852 7.0069 7.0069 8.3717 8.3717 k =-0.3429 0.5677-0.0000 ( 11338 PWs) bands (ev): -41.2783 -41.2783 -41.2605 -41.2605 -41.0631 -41.0631 -41.0593 -41.0593 -9.7837 -9.7837 -9.7344 -9.7344 -9.7304 -9.7304 -9.7259 -9.7259 -9.3319 -9.3319 -9.3196 -9.3196 -9.2534 -9.2534 -9.2298 -9.2298 -9.1916 -9.1916 -9.1819 -9.1819 -2.7056 -2.7056 0.4270 0.4270 2.0267 2.0267 4.9420 4.9420 6.1935 6.1935 6.3308 6.3308 6.4948 6.4948 7.0671 7.0671 8.2846 8.2846 k =-0.3357 0.5827-0.0000 ( 11346 PWs) bands (ev): -41.2783 -41.2783 -41.2604 -41.2604 -41.0630 -41.0630 -41.0595 -41.0595 -9.7838 -9.7838 -9.7343 -9.7343 -9.7303 -9.7303 -9.7260 -9.7260 -9.3319 -9.3319 -9.3197 -9.3197 -9.2534 -9.2534 -9.2296 -9.2296 -9.1917 -9.1917 -9.1818 -9.1818 -2.6998 -2.6998 0.4708 0.4708 1.9725 1.9725 4.9558 4.9558 6.1269 6.1269 6.2587 6.2587 6.4528 6.4528 7.1301 7.1301 8.2046 8.2046 k =-0.3286 0.5976-0.0000 ( 11354 PWs) bands (ev): -41.2784 -41.2784 -41.2604 -41.2604 -41.0629 -41.0629 -41.0596 -41.0596 -9.7838 -9.7838 -9.7343 -9.7343 -9.7303 -9.7303 -9.7260 -9.7260 -9.3320 -9.3320 -9.3197 -9.3197 -9.2533 -9.2533 -9.2294 -9.2294 -9.1917 -9.1917 -9.1817 -9.1817 -2.6949 -2.6949 0.5163 0.5163 1.9231 1.9231 4.9668 4.9668 6.0593 6.0593 6.1586 6.1586 6.4431 6.4431 7.1957 7.1957 8.1322 8.1322 k =-0.3214 0.6126-0.0000 ( 11348 PWs) bands (ev): -41.2784 -41.2784 -41.2603 -41.2603 -41.0628 -41.0628 -41.0598 -41.0598 -9.7838 -9.7838 -9.7342 -9.7342 -9.7303 -9.7303 -9.7260 -9.7260 -9.3320 -9.3320 -9.3197 -9.3197 -9.2533 -9.2533 -9.2293 -9.2293 -9.1918 -9.1918 -9.1816 -9.1816 -2.6910 -2.6910 0.5632 0.5632 1.8786 1.8786 4.9746 4.9746 5.9895 5.9895 6.0535 6.0535 6.4439 6.4439 7.2640 7.2640 8.0680 8.0680 k =-0.3143 0.6275-0.0000 ( 11344 PWs) bands (ev): -41.2784 -41.2784 -41.2602 -41.2602 -41.0626 -41.0626 -41.0599 -41.0599 -9.7839 -9.7839 -9.7342 -9.7342 -9.7303 -9.7303 -9.7260 -9.7260 -9.3321 -9.3321 -9.3198 -9.3198 -9.2533 -9.2533 -9.2292 -9.2292 -9.1918 -9.1918 -9.1814 -9.1814 -2.6884 -2.6884 0.6116 0.6116 1.8394 1.8394 4.9788 4.9788 5.9121 5.9121 5.9561 5.9561 6.4484 6.4484 7.3350 7.3350 8.0123 8.0123 k =-0.3071 0.6424-0.0000 ( 11348 PWs) bands (ev): -41.2785 -41.2785 -41.2601 -41.2601 -41.0625 -41.0625 -41.0601 -41.0601 -9.7839 -9.7839 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3321 -9.3321 -9.3198 -9.3198 -9.2532 -9.2532 -9.2290 -9.2290 -9.1919 -9.1919 -9.1813 -9.1813 -2.6870 -2.6870 0.6614 0.6614 1.8056 1.8056 4.9790 4.9790 5.8190 5.8190 5.8767 5.8767 6.4546 6.4546 7.4086 7.4086 7.9657 7.9657 k =-0.3071 0.6424-0.0000 ( 11348 PWs) bands (ev): -41.2785 -41.2785 -41.2601 -41.2601 -41.0625 -41.0625 -41.0601 -41.0601 -9.7839 -9.7839 -9.7341 -9.7341 -9.7302 -9.7302 -9.7260 -9.7260 -9.3321 -9.3321 -9.3198 -9.3198 -9.2532 -9.2532 -9.2290 -9.2290 -9.1919 -9.1919 -9.1813 -9.1813 -2.6870 -2.6870 0.6614 0.6614 1.8056 1.8056 4.9790 4.9790 5.8190 5.8190 5.8767 5.8767 6.4546 6.4546 7.4086 7.4086 7.9657 7.9657 k =-0.3071 0.6424 0.0168 ( 11352 PWs) bands (ev): -41.2784 -41.2784 -41.2601 -41.2601 -41.0625 -41.0625 -41.0601 -41.0601 -9.7839 -9.7839 -9.7344 -9.7344 -9.7301 -9.7301 -9.7259 -9.7259 -9.3321 -9.3321 -9.3198 -9.3198 -9.2532 -9.2532 -9.2291 -9.2291 -9.1922 -9.1922 -9.1810 -9.1810 -2.6856 -2.6856 0.6617 0.6617 1.8068 1.8068 4.9501 4.9501 5.8201 5.8201 5.8712 5.8712 6.4805 6.4805 7.4133 7.4133 7.9591 7.9591 k =-0.3071 0.6424 0.0337 ( 11356 PWs) bands (ev): -41.2784 -41.2784 -41.2602 -41.2602 -41.0625 -41.0625 -41.0601 -41.0601 -9.7840 -9.7840 -9.7351 -9.7351 -9.7298 -9.7298 -9.7255 -9.7255 -9.3320 -9.3320 -9.3198 -9.3198 -9.2530 -9.2530 -9.2294 -9.2294 -9.1931 -9.1931 -9.1800 -9.1800 -2.6813 -2.6813 0.6625 0.6625 1.8104 1.8104 4.8705 4.8705 5.8150 5.8150 5.8592 5.8592 6.5552 6.5552 7.4273 7.4273 7.9403 7.9403 k =-0.3071 0.6424 0.0505 ( 11358 PWs) bands (ev): -41.2784 -41.2784 -41.2602 -41.2602 -41.0625 -41.0625 -41.0601 -41.0601 -9.7840 -9.7840 -9.7360 -9.7360 -9.7294 -9.7294 -9.7249 -9.7249 -9.3318 -9.3318 -9.3199 -9.3199 -9.2528 -9.2528 -9.2298 -9.2298 -9.1942 -9.1942 -9.1786 -9.1786 -2.6741 -2.6741 0.6638 0.6638 1.8165 1.8165 4.7558 4.7558 5.7883 5.7883 5.8498 5.8498 6.6702 6.6702 7.4496 7.4496 7.9115 7.9115 k =-0.3071 0.6424 0.0673 ( 11356 PWs) bands (ev): -41.2783 -41.2783 -41.2603 -41.2603 -41.0625 -41.0625 -41.0601 -41.0601 -9.7841 -9.7841 -9.7371 -9.7371 -9.7291 -9.7291 -9.7241 -9.7241 -9.3316 -9.3316 -9.3199 -9.3199 -9.2525 -9.2525 -9.2304 -9.2304 -9.1955 -9.1955 -9.1770 -9.1770 -2.6641 -2.6641 0.6656 0.6656 1.8250 1.8250 4.6194 4.6194 5.7418 5.7418 5.8390 5.8390 6.8146 6.8146 7.4789 7.4789 7.8765 7.8765 k =-0.3071 0.6424 0.0842 ( 11352 PWs) bands (ev): -41.2782 -41.2782 -41.2603 -41.2603 -41.0625 -41.0625 -41.0602 -41.0602 -9.7843 -9.7843 -9.7382 -9.7382 -9.7289 -9.7289 -9.7231 -9.7231 -9.3313 -9.3313 -9.3200 -9.3200 -9.2521 -9.2521 -9.2312 -9.2312 -9.1967 -9.1967 -9.1752 -9.1752 -2.6512 -2.6512 0.6676 0.6676 1.8359 1.8359 4.4710 4.4710 5.6819 5.6819 5.8217 5.8217 6.9778 6.9778 7.5139 7.5139 7.8397 7.8397 k =-0.3071 0.6424 0.1010 ( 11357 PWs) bands (ev): -41.2781 -41.2781 -41.2604 -41.2604 -41.0625 -41.0625 -41.0602 -41.0602 -9.7844 -9.7844 -9.7393 -9.7393 -9.7287 -9.7287 -9.7222 -9.7222 -9.3309 -9.3309 -9.3200 -9.3200 -9.2516 -9.2516 -9.2321 -9.2321 -9.1979 -9.1979 -9.1735 -9.1735 -2.6355 -2.6355 0.6697 0.6697 1.8493 1.8493 4.3162 4.3162 5.6118 5.6118 5.7967 5.7967 7.1497 7.1497 7.5532 7.5532 7.8080 7.8080 k =-0.3071 0.6424 0.1178 ( 11352 PWs) bands (ev): -41.2780 -41.2780 -41.2605 -41.2605 -41.0625 -41.0625 -41.0602 -41.0602 -9.7846 -9.7846 -9.7404 -9.7404 -9.7285 -9.7285 -9.7212 -9.7212 -9.3305 -9.3305 -9.3201 -9.3201 -9.2510 -9.2510 -9.2331 -9.2331 -9.1990 -9.1990 -9.1717 -9.1717 -2.6169 -2.6169 0.6718 0.6718 1.8650 1.8650 4.1589 4.1589 5.5335 5.5335 5.7641 5.7641 7.3156 7.3156 7.5957 7.5957 7.7940 7.7940 k =-0.3071 0.6424 0.1346 ( 11344 PWs) bands (ev): -41.2778 -41.2778 -41.2606 -41.2606 -41.0625 -41.0625 -41.0602 -41.0602 -9.7848 -9.7848 -9.7415 -9.7415 -9.7284 -9.7284 -9.7202 -9.7202 -9.3300 -9.3300 -9.3201 -9.3201 -9.2504 -9.2504 -9.2342 -9.2342 -9.2000 -9.2000 -9.1700 -9.1700 -2.5954 -2.5954 0.6736 0.6736 1.8832 1.8832 4.0016 4.0016 5.4487 5.4487 5.7241 5.7241 7.4452 7.4452 7.6404 7.6404 7.8276 7.8276 k =-0.3071 0.6424 0.1515 ( 11332 PWs) bands (ev): -41.2777 -41.2777 -41.2607 -41.2607 -41.0625 -41.0625 -41.0603 -41.0603 -9.7849 -9.7849 -9.7426 -9.7426 -9.7282 -9.7282 -9.7193 -9.7193 -9.3295 -9.3295 -9.3202 -9.3202 -9.2498 -9.2498 -9.2355 -9.2355 -9.2009 -9.2009 -9.1683 -9.1683 -2.5711 -2.5711 0.6748 0.6748 1.9038 1.9038 3.8460 3.8460 5.3586 5.3586 5.6768 5.6768 7.5036 7.5036 7.6864 7.6864 7.9433 7.9433 k =-0.3071 0.6424 0.1683 ( 11324 PWs) bands (ev): -41.2775 -41.2775 -41.2609 -41.2609 -41.0625 -41.0625 -41.0603 -41.0603 -9.7851 -9.7851 -9.7437 -9.7437 -9.7280 -9.7280 -9.7183 -9.7183 -9.3290 -9.3290 -9.3202 -9.3202 -9.2491 -9.2491 -9.2368 -9.2368 -9.2016 -9.2016 -9.1667 -9.1667 -2.5439 -2.5439 0.6750 0.6750 1.9268 1.9268 3.6935 3.6935 5.2643 5.2643 5.6225 5.6225 7.5111 7.5111 7.7333 7.7333 8.1208 8.1208 k =-0.3071 0.6424 0.1851 ( 11324 PWs) bands (ev): -41.2773 -41.2773 -41.2610 -41.2610 -41.0625 -41.0625 -41.0603 -41.0603 -9.7852 -9.7852 -9.7447 -9.7447 -9.7278 -9.7278 -9.7175 -9.7175 -9.3285 -9.3285 -9.3202 -9.3202 -9.2485 -9.2485 -9.2380 -9.2380 -9.2022 -9.2022 -9.1652 -9.1652 -2.5139 -2.5139 0.6738 0.6738 1.9521 1.9521 3.5452 3.5452 5.1668 5.1668 5.5615 5.5615 7.5018 7.5018 7.7808 7.7808 8.3255 8.3255 k =-0.3071 0.6424 0.2020 ( 11317 PWs) bands (ev): -41.2771 -41.2771 -41.2612 -41.2612 -41.0625 -41.0625 -41.0604 -41.0604 -9.7854 -9.7854 -9.7458 -9.7458 -9.7276 -9.7276 -9.7167 -9.7167 -9.3280 -9.3280 -9.3202 -9.3202 -9.2479 -9.2479 -9.2392 -9.2392 -9.2027 -9.2027 -9.1638 -9.1638 -2.4810 -2.4810 0.6707 0.6707 1.9799 1.9799 3.4022 3.4022 5.0668 5.0668 5.4943 5.4943 7.4899 7.4899 7.8285 7.8285 8.5427 8.5427 k =-0.3071 0.6424 0.2188 ( 11313 PWs) bands (ev): -41.2768 -41.2768 -41.2614 -41.2614 -41.0625 -41.0625 -41.0604 -41.0604 -9.7855 -9.7855 -9.7468 -9.7468 -9.7274 -9.7274 -9.7160 -9.7160 -9.3275 -9.3275 -9.3201 -9.3201 -9.2476 -9.2476 -9.2402 -9.2402 -9.2030 -9.2030 -9.1625 -9.1625 -2.4452 -2.4452 0.6650 0.6650 2.0100 2.0100 3.2654 3.2654 4.9650 4.9650 5.4215 5.4215 7.4806 7.4806 7.8763 7.8763 8.7667 8.7667 k =-0.3071 0.6424 0.2356 ( 11313 PWs) bands (ev): -41.2766 -41.2766 -41.2616 -41.2616 -41.0625 -41.0625 -41.0605 -41.0605 -9.7855 -9.7855 -9.7479 -9.7479 -9.7272 -9.7272 -9.7154 -9.7154 -9.3270 -9.3270 -9.3199 -9.3199 -9.2475 -9.2475 -9.2409 -9.2409 -9.2031 -9.2031 -9.1614 -9.1614 -2.4067 -2.4067 0.6561 0.6561 2.0425 2.0425 3.1359 3.1359 4.8619 4.8619 5.3436 5.3436 7.4758 7.4758 7.9240 7.9240 8.9948 8.9948 k =-0.3071 0.6424 0.2525 ( 11327 PWs) bands (ev): -41.2763 -41.2763 -41.2618 -41.2618 -41.0625 -41.0625 -41.0605 -41.0605 -9.7855 -9.7855 -9.7489 -9.7489 -9.7269 -9.7269 -9.7148 -9.7148 -9.3267 -9.3267 -9.3197 -9.3197 -9.2479 -9.2479 -9.2412 -9.2412 -9.2031 -9.2031 -9.1603 -9.1603 -2.3653 -2.3653 0.6431 0.6431 2.0774 2.0774 3.0146 3.0146 4.7579 4.7579 5.2612 5.2612 7.4762 7.4762 7.9717 7.9717 9.2250 9.2250 k =-0.3071 0.6424 0.2693 ( 11323 PWs) bands (ev): -41.2760 -41.2760 -41.2620 -41.2620 -41.0625 -41.0625 -41.0606 -41.0606 -9.7855 -9.7855 -9.7499 -9.7499 -9.7267 -9.7267 -9.7143 -9.7143 -9.3263 -9.3263 -9.3194 -9.3194 -9.2486 -9.2486 -9.2411 -9.2411 -9.2030 -9.2030 -9.1594 -9.1594 -2.3210 -2.3210 0.6254 0.6254 2.1146 2.1146 2.9025 2.9025 4.6536 4.6536 5.1751 5.1751 7.4819 7.4819 8.0191 8.0191 9.4556 9.4556 k =-0.3071 0.6424 0.2861 ( 11315 PWs) bands (ev): -41.2757 -41.2757 -41.2622 -41.2622 -41.0625 -41.0625 -41.0606 -41.0606 -9.7854 -9.7854 -9.7510 -9.7510 -9.7264 -9.7264 -9.7139 -9.7139 -9.3261 -9.3261 -9.3191 -9.3191 -9.2494 -9.2494 -9.2408 -9.2408 -9.2027 -9.2027 -9.1587 -9.1587 -2.2740 -2.2740 0.6020 0.6020 2.1541 2.1541 2.8006 2.8006 4.5492 4.5492 5.0859 5.0859 7.4929 7.4929 8.0663 8.0663 9.6846 9.6846 k =-0.3071 0.6424 0.3029 ( 11315 PWs) bands (ev): -41.2754 -41.2754 -41.2625 -41.2625 -41.0625 -41.0625 -41.0607 -41.0607 -9.7853 -9.7853 -9.7520 -9.7520 -9.7261 -9.7261 -9.7136 -9.7136 -9.3259 -9.3259 -9.3187 -9.3187 -9.2504 -9.2504 -9.2404 -9.2404 -9.2022 -9.2022 -9.1581 -9.1581 -2.2241 -2.2241 0.5721 0.5721 2.1959 2.1959 2.7098 2.7098 4.4450 4.4450 4.9941 4.9941 7.5089 7.5089 8.1132 8.1132 9.9090 9.9090 k =-0.3071 0.6424 0.3198 ( 11312 PWs) bands (ev): -41.2751 -41.2751 -41.2627 -41.2627 -41.0624 -41.0624 -41.0608 -41.0608 -9.7851 -9.7851 -9.7530 -9.7530 -9.7258 -9.7258 -9.7134 -9.7134 -9.3257 -9.3257 -9.3184 -9.3184 -9.2513 -9.2513 -9.2401 -9.2401 -9.2015 -9.2015 -9.1576 -9.1576 -2.1715 -2.1715 0.5351 0.5351 2.2400 2.2400 2.6308 2.6308 4.3414 4.3414 4.9004 4.9004 7.5297 7.5297 8.1595 8.1595 10.1236 10.1236 k =-0.3071 0.6424 0.3366 ( 11310 PWs) bands (ev): -41.2748 -41.2748 -41.2630 -41.2630 -41.0624 -41.0624 -41.0608 -41.0608 -9.7848 -9.7848 -9.7541 -9.7541 -9.7255 -9.7255 -9.7133 -9.7133 -9.3256 -9.3256 -9.3180 -9.3180 -9.2521 -9.2521 -9.2397 -9.2397 -9.2007 -9.2007 -9.1573 -9.1573 -2.1160 -2.1160 0.4904 0.4904 2.2863 2.2863 2.5644 2.5644 4.2386 4.2386 4.8053 4.8053 7.5549 7.5549 8.2052 8.2052 10.2760 10.2760 k =-0.3071 0.6424 0.3534 ( 11320 PWs) bands (ev): -41.2744 -41.2744 -41.2633 -41.2633 -41.0624 -41.0624 -41.0609 -41.0609 -9.7845 -9.7845 -9.7551 -9.7551 -9.7252 -9.7252 -9.7132 -9.7132 -9.3255 -9.3255 -9.3177 -9.3177 -9.2528 -9.2528 -9.2395 -9.2395 -9.1997 -9.1997 -9.1572 -9.1572 -2.0578 -2.0578 0.4380 0.4380 2.3346 2.3346 2.5110 2.5110 4.1367 4.1367 4.7092 4.7092 7.5843 7.5843 8.2499 8.2499 10.2182 10.2182 k =-0.3071 0.6424 0.3703 ( 11317 PWs) bands (ev): -41.2741 -41.2741 -41.2636 -41.2636 -41.0624 -41.0624 -41.0610 -41.0610 -9.7841 -9.7841 -9.7562 -9.7562 -9.7248 -9.7248 -9.7132 -9.7132 -9.3254 -9.3254 -9.3174 -9.3174 -9.2534 -9.2534 -9.2394 -9.2394 -9.1985 -9.1985 -9.1572 -9.1572 -1.9969 -1.9969 0.3778 0.3778 2.3841 2.3841 2.4711 2.4711 4.0361 4.0361 4.6125 4.6125 7.6175 7.6175 8.2932 8.2932 10.1490 10.1490 k =-0.3071 0.6424 0.3871 ( 11310 PWs) bands (ev): -41.2737 -41.2737 -41.2639 -41.2639 -41.0624 -41.0624 -41.0610 -41.0610 -9.7836 -9.7836 -9.7572 -9.7572 -9.7244 -9.7244 -9.7133 -9.7133 -9.3253 -9.3253 -9.3173 -9.3173 -9.2538 -9.2538 -9.2394 -9.2394 -9.1972 -9.1972 -9.1574 -9.1574 -1.9333 -1.9333 0.3103 0.3103 2.4241 2.4241 2.4555 2.4555 3.9368 3.9368 4.5156 4.5156 7.6543 7.6543 8.3347 8.3347 10.0784 10.0784 k =-0.3071 0.6424 0.4039 ( 11310 PWs) bands (ev): -41.2734 -41.2734 -41.2642 -41.2642 -41.0623 -41.0623 -41.0611 -41.0611 -9.7831 -9.7831 -9.7583 -9.7583 -9.7241 -9.7241 -9.7134 -9.7134 -9.3252 -9.3252 -9.3171 -9.3171 -9.2541 -9.2541 -9.2395 -9.2395 -9.1957 -9.1957 -9.1578 -9.1578 -1.8669 -1.8669 0.2361 0.2361 2.4186 2.4186 2.4991 2.4991 3.8391 3.8391 4.4187 4.4187 7.6944 7.6944 8.3737 8.3737 10.0088 10.0088 k =-0.3071 0.6424 0.4208 ( 11316 PWs) bands (ev): -41.2730 -41.2730 -41.2645 -41.2645 -41.0623 -41.0623 -41.0612 -41.0612 -9.7825 -9.7825 -9.7594 -9.7594 -9.7237 -9.7237 -9.7136 -9.7136 -9.3251 -9.3251 -9.3171 -9.3171 -9.2542 -9.2542 -9.2397 -9.2397 -9.1941 -9.1941 -9.1583 -9.1583 -1.7979 -1.7979 0.1561 0.1561 2.4136 2.4136 2.5555 2.5555 3.7430 3.7430 4.3222 4.3222 7.7375 7.7375 8.4094 8.4094 9.9423 9.9423 k =-0.3071 0.6424 0.4376 ( 11317 PWs) bands (ev): -41.2726 -41.2726 -41.2649 -41.2649 -41.0623 -41.0623 -41.0612 -41.0612 -9.7818 -9.7818 -9.7605 -9.7605 -9.7232 -9.7232 -9.7139 -9.7139 -9.3249 -9.3249 -9.3172 -9.3172 -9.2541 -9.2541 -9.2400 -9.2400 -9.1924 -9.1924 -9.1589 -9.1589 -1.7263 -1.7263 0.0710 0.0710 2.4176 2.4176 2.6150 2.6150 3.6488 3.6488 4.2262 4.2262 7.7834 7.7834 8.4407 8.4407 9.8808 9.8808 k =-0.3071 0.6424 0.4544 ( 11325 PWs) bands (ev): -41.2722 -41.2722 -41.2652 -41.2652 -41.0623 -41.0623 -41.0613 -41.0613 -9.7811 -9.7811 -9.7617 -9.7617 -9.7228 -9.7228 -9.7142 -9.7142 -9.3247 -9.3247 -9.3173 -9.3173 -9.2539 -9.2539 -9.2405 -9.2405 -9.1906 -9.1906 -9.1597 -9.1597 -1.6522 -1.6522 -0.0182 -0.0182 2.4306 2.4306 2.6768 2.6768 3.5566 3.5566 4.1310 4.1310 7.8318 7.8318 8.4664 8.4664 9.8262 9.8262 k =-0.3071 0.6424 0.4712 ( 11338 PWs) bands (ev): -41.2718 -41.2718 -41.2656 -41.2656 -41.0622 -41.0622 -41.0614 -41.0614 -9.7803 -9.7803 -9.7628 -9.7628 -9.7224 -9.7224 -9.7146 -9.7146 -9.3245 -9.3245 -9.3175 -9.3175 -9.2536 -9.2536 -9.2410 -9.2410 -9.1887 -9.1887 -9.1607 -9.1607 -1.5755 -1.5755 -0.1105 -0.1105 2.4517 2.4517 2.7409 2.7409 3.4666 3.4666 4.0368 4.0368 7.8823 7.8823 8.4852 8.4852 9.7805 9.7805 k =-0.3071 0.6424 0.4881 ( 11334 PWs) bands (ev): -41.2714 -41.2714 -41.2659 -41.2659 -41.0622 -41.0622 -41.0614 -41.0614 -9.7794 -9.7794 -9.7640 -9.7640 -9.7219 -9.7219 -9.7150 -9.7150 -9.3243 -9.3243 -9.3178 -9.3178 -9.2531 -9.2531 -9.2416 -9.2416 -9.1867 -9.1867 -9.1617 -9.1617 -1.4964 -1.4964 -0.2051 -0.2051 2.4801 2.4801 2.8070 2.8070 3.3790 3.3790 3.9437 3.9437 7.9347 7.9347 8.4958 8.4958 9.7454 9.7454 k =-0.3071 0.6424 0.5049 ( 11328 PWs) bands (ev): -41.2710 -41.2710 -41.2663 -41.2663 -41.0621 -41.0621 -41.0615 -41.0615 -9.7785 -9.7785 -9.7652 -9.7652 -9.7214 -9.7214 -9.7154 -9.7154 -9.3240 -9.3240 -9.3181 -9.3181 -9.2525 -9.2525 -9.2423 -9.2423 -9.1847 -9.1847 -9.1630 -9.1630 -1.4149 -1.4149 -0.3014 -0.3014 2.5153 2.5153 2.8750 2.8750 3.2940 3.2940 3.8518 3.8518 7.9887 7.9887 8.4970 8.4970 9.7225 9.7225 k =-0.3071 0.6424 0.5217 ( 11330 PWs) bands (ev): -41.2706 -41.2706 -41.2667 -41.2667 -41.0621 -41.0621 -41.0616 -41.0616 -9.7776 -9.7776 -9.7663 -9.7663 -9.7209 -9.7209 -9.7158 -9.7158 -9.3237 -9.3237 -9.3184 -9.3184 -9.2519 -9.2519 -9.2431 -9.2431 -9.1827 -9.1827 -9.1643 -9.1643 -1.3310 -1.3310 -0.3985 -0.3985 2.5564 2.5564 2.9444 2.9444 3.2121 3.2121 3.7614 3.7614 8.0437 8.0437 8.4882 8.4882 9.7126 9.7126 k =-0.3071 0.6424 0.5386 ( 11331 PWs) bands (ev): -41.2702 -41.2702 -41.2671 -41.2671 -41.0621 -41.0621 -41.0616 -41.0616 -9.7766 -9.7766 -9.7675 -9.7675 -9.7205 -9.7205 -9.7163 -9.7163 -9.3234 -9.3234 -9.3188 -9.3188 -9.2511 -9.2511 -9.2439 -9.2439 -9.1806 -9.1806 -9.1658 -9.1658 -1.2450 -1.2450 -0.4961 -0.4961 2.6030 2.6030 3.0128 3.0128 3.1361 3.1361 3.6724 3.6724 8.0995 8.0995 8.4695 8.4695 9.7160 9.7160 k =-0.3071 0.6424 0.5554 ( 11329 PWs) bands (ev): -41.2698 -41.2698 -41.2674 -41.2674 -41.0620 -41.0620 -41.0617 -41.0617 -9.7755 -9.7755 -9.7687 -9.7687 -9.7200 -9.7200 -9.7168 -9.7168 -9.3231 -9.3231 -9.3192 -9.3192 -9.2503 -9.2503 -9.2448 -9.2448 -9.1786 -9.1786 -9.1674 -9.1674 -1.1569 -1.1569 -0.5935 -0.5935 2.6545 2.6545 3.0357 3.0357 3.1104 3.1104 3.5850 3.5850 8.1553 8.1553 8.4416 8.4416 9.7320 9.7320 k =-0.3071 0.6424 0.5722 ( 11326 PWs) bands (ev): -41.2694 -41.2694 -41.2678 -41.2678 -41.0620 -41.0620 -41.0617 -41.0617 -9.7744 -9.7744 -9.7699 -9.7699 -9.7195 -9.7195 -9.7173 -9.7173 -9.3228 -9.3228 -9.3195 -9.3195 -9.2495 -9.2495 -9.2456 -9.2456 -9.1766 -9.1766 -9.1690 -9.1690 -1.0668 -1.0668 -0.6905 -0.6905 2.7106 2.7106 2.9718 2.9718 3.1765 3.1765 3.4993 3.4993 8.2105 8.2105 8.4056 8.4056 9.7598 9.7598 k =-0.3071 0.6424 0.5891 ( 11320 PWs) bands (ev): -41.2690 -41.2690 -41.2682 -41.2682 -41.0619 -41.0619 -41.0618 -41.0618 -9.7733 -9.7733 -9.7710 -9.7710 -9.7190 -9.7190 -9.7178 -9.7178 -9.3226 -9.3226 -9.3197 -9.3197 -9.2486 -9.2486 -9.2465 -9.2465 -9.1747 -9.1747 -9.1708 -9.1708 -0.9750 -0.9750 -0.7866 -0.7866 2.7706 2.7706 2.9024 2.9024 3.2531 3.2531 3.4155 3.4155 8.2642 8.2642 8.3631 8.3631 9.7979 9.7979 k =-0.3071 0.6424 0.6059 ( 11318 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7181 -9.7181 -9.3225 -9.3225 -9.3198 -9.3198 -9.2481 -9.2481 -9.2470 -9.2470 -9.1733 -9.1733 -9.1721 -9.1721 -0.8817 -0.8817 -0.8813 -0.8813 2.8287 2.8287 2.8410 2.8410 3.3265 3.3265 3.3400 3.3400 8.3149 8.3149 8.3161 8.3161 9.8423 9.8423 k =-0.3071 0.6424 0.6059 ( 11318 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0619 -41.0619 -41.0619 -41.0619 -9.7722 -9.7722 -9.7721 -9.7721 -9.7187 -9.7187 -9.7181 -9.7181 -9.3225 -9.3225 -9.3198 -9.3198 -9.2481 -9.2481 -9.2470 -9.2470 -9.1733 -9.1733 -9.1721 -9.1721 -0.8817 -0.8817 -0.8813 -0.8813 2.8287 2.8287 2.8410 2.8410 3.3265 3.3265 3.3400 3.3400 8.3149 8.3149 8.3161 8.3161 9.8423 9.8423 k =-0.3143 0.6275 0.6059 ( 11322 PWs) bands (ev): -41.2686 -41.2686 -41.2686 -41.2686 -41.0618 -41.0618 -41.0618 -41.0618 -9.7723 -9.7723 -9.7722 -9.7722 -9.7187 -9.7187 -9.7181 -9.7181 -9.3225 -9.3225 -9.3198 -9.3198 -9.2482 -9.2482 -9.2470 -9.2470 -9.1734 -9.1734 -9.1722 -9.1722 -0.8877 -0.8877 -0.8872 -0.8872 2.7894 2.7894 2.8009 2.8009 3.3710 3.3710 3.3837 3.3837 8.4132 8.4132 8.4143 8.4143 9.9287 9.9287 k =-0.3214 0.6126 0.6059 ( 11322 PWs) bands (ev): -41.2687 -41.2687 -41.2687 -41.2687 -41.0618 -41.0618 -41.0618 -41.0618 -9.7723 -9.7723 -9.7722 -9.7722 -9.7187 -9.7187 -9.7180 -9.7180 -9.3225 -9.3225 -9.3198 -9.3198 -9.2482 -9.2482 -9.2471 -9.2471 -9.1734 -9.1734 -9.1723 -9.1723 -0.8952 -0.8952 -0.8947 -0.8947 2.7514 2.7514 2.7621 2.7621 3.4216 3.4216 3.4335 3.4335 8.5133 8.5133 8.5142 8.5142 10.0169 10.0169 k =-0.3286 0.5976 0.6059 ( 11318 PWs) bands (ev): -41.2687 -41.2687 -41.2687 -41.2687 -41.0618 -41.0618 -41.0618 -41.0618 -9.7723 -9.7723 -9.7722 -9.7722 -9.7187 -9.7187 -9.7180 -9.7180 -9.3225 -9.3225 -9.3198 -9.3198 -9.2483 -9.2483 -9.2472 -9.2472 -9.1735 -9.1735 -9.1724 -9.1724 -0.9041 -0.9041 -0.9036 -0.9036 2.7147 2.7147 2.7247 2.7247 3.4782 3.4782 3.4893 3.4893 8.6149 8.6149 8.6157 8.6157 10.1068 10.1068 k =-0.3357 0.5827 0.6059 ( 11318 PWs) bands (ev): -41.2687 -41.2687 -41.2687 -41.2687 -41.0618 -41.0618 -41.0618 -41.0618 -9.7724 -9.7724 -9.7722 -9.7722 -9.7187 -9.7187 -9.7180 -9.7180 -9.3225 -9.3225 -9.3198 -9.3198 -9.2484 -9.2484 -9.2473 -9.2473 -9.1736 -9.1736 -9.1725 -9.1725 -0.9143 -0.9143 -0.9137 -0.9137 2.6794 2.6794 2.6886 2.6886 3.5404 3.5404 3.5509 3.5509 8.7178 8.7178 8.7184 8.7184 10.1981 10.1981 k =-0.3429 0.5677 0.6059 ( 11308 PWs) bands (ev): -41.2687 -41.2687 -41.2687 -41.2687 -41.0618 -41.0618 -41.0618 -41.0618 -9.7724 -9.7724 -9.7722 -9.7722 -9.7187 -9.7187 -9.7180 -9.7180 -9.3224 -9.3224 -9.3198 -9.3198 -9.2485 -9.2485 -9.2473 -9.2473 -9.1737 -9.1737 -9.1726 -9.1726 -0.9254 -0.9254 -0.9249 -0.9249 2.6454 2.6454 2.6540 2.6540 3.6081 3.6081 3.6179 3.6179 8.8214 8.8214 8.8220 8.8220 10.2903 10.2904 k =-0.3500 0.5528 0.6059 ( 11308 PWs) bands (ev): -41.2687 -41.2687 -41.2687 -41.2687 -41.0617 -41.0617 -41.0617 -41.0617 -9.7724 -9.7724 -9.7723 -9.7723 -9.7187 -9.7187 -9.7180 -9.7180 -9.3224 -9.3224 -9.3198 -9.3198 -9.2485 -9.2485 -9.2474 -9.2474 -9.1738 -9.1738 -9.1727 -9.1727 -0.9374 -0.9374 -0.9369 -0.9369 2.6128 2.6128 2.6208 2.6208 3.6809 3.6809 3.6902 3.6902 8.9252 8.9252 8.9256 8.9256 10.3828 10.3828 k =-0.3571 0.5379 0.6059 ( 11312 PWs) bands (ev): -41.2688 -41.2688 -41.2688 -41.2688 -41.0617 -41.0617 -41.0617 -41.0617 -9.7725 -9.7725 -9.7723 -9.7723 -9.7187 -9.7187 -9.7180 -9.7180 -9.3224 -9.3224 -9.3198 -9.3198 -9.2486 -9.2486 -9.2475 -9.2475 -9.1738 -9.1738 -9.1728 -9.1728 -0.9501 -0.9501 -0.9496 -0.9496 2.5816 2.5816 2.5890 2.5890 3.7586 3.7586 3.7673 3.7673 9.0280 9.0280 9.0283 9.0283 10.4728 10.4728 k =-0.3643 0.5229 0.6059 ( 11298 PWs) bands (ev): -41.2688 -41.2688 -41.2688 -41.2688 -41.0617 -41.0617 -41.0617 -41.0617 -9.7725 -9.7725 -9.7723 -9.7723 -9.7187 -9.7187 -9.7181 -9.7181 -9.3223 -9.3223 -9.3198 -9.3198 -9.2487 -9.2487 -9.2476 -9.2476 -9.1739 -9.1739 -9.1729 -9.1729 -0.9633 -0.9633 -0.9627 -0.9627 2.5518 2.5518 2.5587 2.5587 3.8409 3.8409 3.8491 3.8491 9.1279 9.1279 9.1282 9.1282 10.5476 10.5476 k =-0.3714 0.5080 0.6059 ( 11302 PWs) bands (ev): -41.2688 -41.2688 -41.2688 -41.2688 -41.0617 -41.0617 -41.0617 -41.0617 -9.7725 -9.7725 -9.7723 -9.7723 -9.7187 -9.7187 -9.7181 -9.7181 -9.3223 -9.3223 -9.3198 -9.3198 -9.2488 -9.2488 -9.2477 -9.2477 -9.1740 -9.1740 -9.1731 -9.1731 -0.9768 -0.9768 -0.9762 -0.9762 2.5235 2.5235 2.5299 2.5299 3.9275 3.9275 3.9352 3.9352 9.2216 9.2216 9.2219 9.2219 10.5286 10.5286 k =-0.3786 0.4930 0.6059 ( 11290 PWs) bands (ev): -41.2688 -41.2688 -41.2688 -41.2688 -41.0617 -41.0617 -41.0617 -41.0617 -9.7726 -9.7726 -9.7724 -9.7724 -9.7187 -9.7187 -9.7181 -9.7181 -9.3223 -9.3223 -9.3199 -9.3199 -9.2489 -9.2489 -9.2478 -9.2478 -9.1741 -9.1741 -9.1732 -9.1732 -0.9904 -0.9904 -0.9899 -0.9899 2.4966 2.4966 2.5025 2.5025 4.0180 4.0180 4.0253 4.0253 9.3028 9.3028 9.3032 9.3032 10.4024 10.4024 k =-0.3857 0.4781 0.6059 ( 11290 PWs) bands (ev): -41.2689 -41.2689 -41.2689 -41.2689 -41.0616 -41.0616 -41.0616 -41.0616 -9.7726 -9.7726 -9.7724 -9.7724 -9.7187 -9.7187 -9.7181 -9.7181 -9.3222 -9.3222 -9.3199 -9.3199 -9.2489 -9.2489 -9.2479 -9.2479 -9.1741 -9.1741 -9.1733 -9.1733 -1.0041 -1.0041 -1.0036 -1.0036 2.4712 2.4712 2.4767 2.4767 4.1121 4.1121 4.1189 4.1189 9.3598 9.3598 9.3606 9.3606 10.2807 10.2807 k =-0.3929 0.4631 0.6059 ( 11298 PWs) bands (ev): -41.2689 -41.2689 -41.2689 -41.2689 -41.0616 -41.0616 -41.0616 -41.0616 -9.7726 -9.7726 -9.7724 -9.7724 -9.7188 -9.7188 -9.7182 -9.7182 -9.3222 -9.3222 -9.3200 -9.3200 -9.2490 -9.2490 -9.2480 -9.2480 -9.1742 -9.1742 -9.1734 -9.1734 -1.0176 -1.0176 -1.0172 -1.0172 2.4473 2.4473 2.4523 2.4523 4.2094 4.2094 4.2158 4.2158 9.3747 9.3747 9.3761 9.3761 10.2018 10.2018 k =-0.4000 0.4482 0.6059 ( 11298 PWs) bands (ev): -41.2689 -41.2689 -41.2689 -41.2689 -41.0616 -41.0616 -41.0616 -41.0616 -9.7726 -9.7726 -9.7724 -9.7724 -9.7188 -9.7188 -9.7182 -9.7182 -9.3221 -9.3221 -9.3200 -9.3200 -9.2491 -9.2491 -9.2481 -9.2481 -9.1743 -9.1743 -9.1735 -9.1735 -1.0309 -1.0309 -1.0305 -1.0305 2.4249 2.4249 2.4295 2.4295 4.3094 4.3094 4.3154 4.3154 9.3328 9.3328 9.3346 9.3346 10.1840 10.1845 k =-0.4071 0.4333 0.6059 ( 11288 PWs) bands (ev): -41.2689 -41.2689 -41.2689 -41.2689 -41.0616 -41.0616 -41.0616 -41.0616 -9.7726 -9.7726 -9.7725 -9.7725 -9.7188 -9.7188 -9.7182 -9.7182 -9.3220 -9.3220 -9.3201 -9.3201 -9.2491 -9.2491 -9.2482 -9.2482 -9.1743 -9.1743 -9.1736 -9.1736 -1.0438 -1.0438 -1.0434 -1.0434 2.4040 2.4040 2.4082 2.4082 4.4117 4.4117 4.4173 4.4173 9.2391 9.2391 9.2412 9.2412 10.2232 10.2234 k =-0.4143 0.4183 0.6059 ( 11296 PWs) bands (ev): -41.2690 -41.2690 -41.2690 -41.2690 -41.0615 -41.0615 -41.0615 -41.0615 -9.7727 -9.7727 -9.7725 -9.7725 -9.7188 -9.7188 -9.7183 -9.7183 -9.3220 -9.3220 -9.3201 -9.3201 -9.2492 -9.2492 -9.2483 -9.2483 -9.1744 -9.1744 -9.1737 -9.1737 -1.0561 -1.0561 -1.0557 -1.0557 2.3846 2.3846 2.3884 2.3884 4.5157 4.5157 4.5209 4.5209 9.1130 9.1130 9.1151 9.1151 10.3012 10.3020 k =-0.4214 0.4034 0.6059 ( 11284 PWs) bands (ev): -41.2690 -41.2690 -41.2690 -41.2690 -41.0615 -41.0615 -41.0615 -41.0615 -9.7727 -9.7727 -9.7725 -9.7725 -9.7188 -9.7188 -9.7183 -9.7183 -9.3219 -9.3219 -9.3202 -9.3202 -9.2492 -9.2492 -9.2484 -9.2484 -9.1745 -9.1745 -9.1738 -9.1738 -1.0679 -1.0679 -1.0675 -1.0675 2.3667 2.3667 2.3702 2.3702 4.6206 4.6206 4.6255 4.6255 8.9710 8.9710 8.9730 8.9730 10.4025 10.4027 k =-0.4286 0.3884 0.6059 ( 11300 PWs) bands (ev): -41.2690 -41.2690 -41.2690 -41.2690 -41.0615 -41.0615 -41.0615 -41.0615 -9.7727 -9.7727 -9.7725 -9.7725 -9.7188 -9.7188 -9.7184 -9.7184 -9.3218 -9.3218 -9.3202 -9.3202 -9.2493 -9.2493 -9.2485 -9.2485 -9.1745 -9.1745 -9.1739 -9.1739 -1.0789 -1.0789 -1.0785 -1.0785 2.3504 2.3504 2.3535 2.3535 4.7259 4.7259 4.7304 4.7304 8.8231 8.8231 8.8249 8.8249 10.5180 10.5182 k =-0.4357 0.3735 0.6059 ( 11312 PWs) bands (ev): -41.2690 -41.2690 -41.2690 -41.2690 -41.0615 -41.0615 -41.0615 -41.0615 -9.7727 -9.7727 -9.7726 -9.7726 -9.7188 -9.7188 -9.7184 -9.7184 -9.3218 -9.3218 -9.3203 -9.3203 -9.2493 -9.2493 -9.2486 -9.2486 -9.1745 -9.1745 -9.1740 -9.1740 -1.0891 -1.0891 -1.0888 -1.0888 2.3356 2.3356 2.3384 2.3384 4.8304 4.8304 4.8345 4.8345 8.6751 8.6751 8.6768 8.6768 10.6446 10.6447 k =-0.4429 0.3586 0.6059 ( 11308 PWs) bands (ev): -41.2690 -41.2690 -41.2690 -41.2690 -41.0615 -41.0615 -41.0615 -41.0615 -9.7727 -9.7727 -9.7726 -9.7726 -9.7188 -9.7188 -9.7185 -9.7185 -9.3217 -9.3217 -9.3204 -9.3204 -9.2493 -9.2493 -9.2487 -9.2487 -9.1746 -9.1746 -9.1741 -9.1741 -1.0985 -1.0985 -1.0982 -1.0982 2.3224 2.3224 2.3248 2.3248 4.9330 4.9330 4.9368 4.9368 8.5309 8.5309 8.5325 8.5325 10.7739 10.7739 k =-0.4500 0.3436 0.6059 ( 11310 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0615 -41.0615 -41.0615 -41.0615 -9.7727 -9.7727 -9.7726 -9.7726 -9.7188 -9.7188 -9.7185 -9.7185 -9.3216 -9.3216 -9.3204 -9.3204 -9.2494 -9.2494 -9.2488 -9.2488 -9.1746 -9.1746 -9.1742 -9.1742 -1.1068 -1.1068 -1.1066 -1.1066 2.3107 2.3107 2.3128 2.3128 5.0323 5.0323 5.0357 5.0357 8.3932 8.3932 8.3947 8.3947 10.9100 10.9100 k =-0.4571 0.3287 0.6059 ( 11310 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7726 -9.7726 -9.7188 -9.7188 -9.7185 -9.7185 -9.3215 -9.3215 -9.3205 -9.3205 -9.2494 -9.2494 -9.2489 -9.2489 -9.1746 -9.1746 -9.1743 -9.1743 -1.1142 -1.1142 -1.1140 -1.1140 2.3006 2.3006 2.3024 2.3024 5.1265 5.1265 5.1295 5.1295 8.2649 8.2649 8.2663 8.2663 11.0498 11.0521 k =-0.4643 0.3137 0.6059 ( 11302 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7726 -9.7726 -9.7188 -9.7188 -9.7186 -9.7186 -9.3215 -9.3215 -9.3206 -9.3206 -9.2494 -9.2494 -9.2490 -9.2490 -9.1746 -9.1746 -9.1743 -9.1743 -1.1206 -1.1206 -1.1204 -1.1204 2.2920 2.2920 2.2935 2.2935 5.2135 5.2135 5.2161 5.2161 8.1485 8.1485 8.1497 8.1497 11.1927 11.1927 k =-0.4714 0.2988 0.6059 ( 11310 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7188 -9.7188 -9.7186 -9.7186 -9.3214 -9.3214 -9.3207 -9.3207 -9.2494 -9.2494 -9.2491 -9.2491 -9.1746 -9.1746 -9.1744 -9.1744 -1.1258 -1.1258 -1.1257 -1.1257 2.2851 2.2851 2.2863 2.2863 5.2908 5.2908 5.2929 5.2929 8.0470 8.0470 8.0480 8.0480 11.3382 11.3382 k =-0.4786 0.2839 0.6059 ( 11314 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7188 -9.7188 -9.7186 -9.7186 -9.3213 -9.3213 -9.3208 -9.3208 -9.2494 -9.2494 -9.2491 -9.2491 -9.1746 -9.1746 -9.1744 -9.1744 -1.1299 -1.1299 -1.1298 -1.1298 2.2797 2.2797 2.2806 2.2806 5.3555 5.3555 5.3571 5.3571 7.9633 7.9633 7.9642 7.9642 11.4854 11.4859 k =-0.4857 0.2689 0.6059 ( 11298 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7188 -9.7188 -9.7187 -9.7187 -9.3212 -9.3212 -9.3209 -9.3209 -9.2493 -9.2493 -9.2492 -9.2492 -9.1746 -9.1746 -9.1745 -9.1745 -1.1328 -1.1328 -1.1328 -1.1328 2.2759 2.2759 2.2765 2.2765 5.4046 5.4046 5.4058 5.4058 7.9007 7.9007 7.9013 7.9013 11.6325 11.6325 k =-0.4929 0.2540 0.6059 ( 11292 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7188 -9.7188 -9.7187 -9.7187 -9.3211 -9.3211 -9.3209 -9.3209 -9.2493 -9.2493 -9.2492 -9.2492 -9.1746 -9.1746 -9.1745 -9.1745 -1.1346 -1.1346 -1.1346 -1.1346 2.2736 2.2736 2.2739 2.2739 5.4355 5.4355 5.4361 5.4361 7.8619 7.8619 7.8622 7.8622 11.7618 11.7620 k =-0.5000 0.2390 0.6059 ( 11288 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7187 -9.7187 -9.7187 -9.7187 -9.3210 -9.3210 -9.3210 -9.3210 -9.2493 -9.2493 -9.2493 -9.2493 -9.1746 -9.1746 -9.1746 -9.1746 -1.1352 -1.1352 -1.1352 -1.1352 2.2730 2.2730 2.2730 2.2730 5.4463 5.4463 5.4463 5.4463 7.8488 7.8488 7.8488 7.8488 11.7951 11.7951 k =-0.5000 0.2390 0.6059 ( 11288 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7187 -9.7187 -9.7187 -9.7187 -9.3210 -9.3210 -9.3210 -9.3210 -9.2493 -9.2493 -9.2493 -9.2493 -9.1746 -9.1746 -9.1746 -9.1746 -1.1352 -1.1352 -1.1352 -1.1352 2.2730 2.2730 2.2730 2.2730 5.4463 5.4463 5.4463 5.4463 7.8488 7.8488 7.8488 7.8488 11.7951 11.7951 k =-0.5000 0.2390 0.5891 ( 11288 PWs) bands (ev): -41.2695 -41.2695 -41.2687 -41.2687 -41.0616 -41.0616 -41.0613 -41.0613 -9.7738 -9.7738 -9.7716 -9.7716 -9.7193 -9.7193 -9.7182 -9.7182 -9.3215 -9.3215 -9.3206 -9.3206 -9.2502 -9.2502 -9.2484 -9.2484 -9.1766 -9.1766 -9.1726 -9.1726 -1.2204 -1.2204 -1.0494 -1.0494 2.2104 2.2104 2.3405 2.3405 5.3384 5.3384 5.5568 5.5568 7.7949 7.7949 7.9045 7.9045 11.6901 11.6901 k =-0.5000 0.2390 0.5722 ( 11306 PWs) bands (ev): -41.2698 -41.2698 -41.2684 -41.2684 -41.0617 -41.0617 -41.0611 -41.0611 -9.7748 -9.7748 -9.7705 -9.7705 -9.7198 -9.7198 -9.7177 -9.7177 -9.3219 -9.3219 -9.3201 -9.3201 -9.2511 -9.2511 -9.2474 -9.2474 -9.1786 -9.1786 -9.1708 -9.1708 -1.3048 -1.3048 -0.9635 -0.9635 2.1529 2.1529 2.4125 2.4125 5.2333 5.2333 5.6700 5.6700 7.7427 7.7427 7.9619 7.9619 11.5828 11.5828 k =-0.5000 0.2390 0.5554 ( 11302 PWs) bands (ev): -41.2702 -41.2702 -41.2680 -41.2680 -41.0618 -41.0618 -41.0610 -41.0610 -9.7759 -9.7759 -9.7694 -9.7694 -9.7203 -9.7203 -9.7171 -9.7171 -9.3223 -9.3223 -9.3197 -9.3197 -9.2519 -9.2519 -9.2465 -9.2465 -9.1807 -9.1807 -9.1691 -9.1691 -1.3880 -1.3880 -0.8778 -0.8778 2.1011 2.1011 2.4887 2.4887 5.1309 5.1309 5.7858 5.7858 7.6923 7.6923 8.0212 8.0212 11.4748 11.4748 k =-0.5000 0.2390 0.5386 ( 11298 PWs) bands (ev): -41.2706 -41.2706 -41.2677 -41.2677 -41.0620 -41.0620 -41.0608 -41.0608 -9.7768 -9.7768 -9.7683 -9.7683 -9.7209 -9.7209 -9.7166 -9.7166 -9.3226 -9.3226 -9.3192 -9.3192 -9.2527 -9.2527 -9.2456 -9.2456 -9.1828 -9.1828 -9.1674 -9.1674 -1.4699 -1.4699 -0.7928 -0.7928 2.0553 2.0553 2.5690 2.5690 5.0313 5.0313 5.9041 5.9041 7.6436 7.6436 8.0821 8.0821 11.3669 11.3669 k =-0.5000 0.2390 0.5217 ( 11296 PWs) bands (ev): -41.2710 -41.2710 -41.2673 -41.2673 -41.0621 -41.0621 -41.0606 -41.0606 -9.7778 -9.7778 -9.7671 -9.7671 -9.7214 -9.7214 -9.7161 -9.7161 -9.3230 -9.3230 -9.3188 -9.3188 -9.2534 -9.2534 -9.2448 -9.2448 -9.1849 -9.1849 -9.1659 -9.1659 -1.5502 -1.5502 -0.7092 -0.7092 2.0162 2.0162 2.6531 2.6531 4.9346 4.9346 6.0249 6.0249 7.5966 7.5966 8.1449 8.1449 11.2593 11.2593 k =-0.5000 0.2390 0.5049 ( 11306 PWs) bands (ev): -41.2713 -41.2713 -41.2670 -41.2670 -41.0623 -41.0623 -41.0605 -41.0605 -9.7787 -9.7787 -9.7660 -9.7660 -9.7219 -9.7219 -9.7156 -9.7156 -9.3233 -9.3233 -9.3185 -9.3185 -9.2541 -9.2541 -9.2440 -9.2440 -9.1871 -9.1871 -9.1645 -9.1645 -1.6288 -1.6288 -0.6275 -0.6275 1.9844 1.9844 2.7408 2.7408 4.8406 4.8406 6.1482 6.1482 7.5514 7.5514 8.2094 8.2094 11.1519 11.1519 k =-0.5000 0.2390 0.4881 ( 11302 PWs) bands (ev): -41.2717 -41.2717 -41.2667 -41.2667 -41.0624 -41.0624 -41.0603 -41.0603 -9.7795 -9.7795 -9.7649 -9.7649 -9.7224 -9.7224 -9.7152 -9.7152 -9.3236 -9.3236 -9.3181 -9.3181 -9.2546 -9.2546 -9.2432 -9.2432 -9.1892 -9.1892 -9.1632 -9.1632 -1.7055 -1.7055 -0.5485 -0.5485 1.9605 1.9605 2.8321 2.8321 4.7496 4.7496 6.2739 6.2739 7.5078 7.5078 8.2756 8.2756 11.0446 11.0446 k =-0.5000 0.2390 0.4712 ( 11306 PWs) bands (ev): -41.2721 -41.2721 -41.2663 -41.2663 -41.0625 -41.0625 -41.0602 -41.0602 -9.7803 -9.7803 -9.7638 -9.7638 -9.7229 -9.7229 -9.7148 -9.7148 -9.3238 -9.3238 -9.3179 -9.3179 -9.2551 -9.2551 -9.2425 -9.2425 -9.1912 -9.1912 -9.1620 -9.1620 -1.7802 -1.7802 -0.4729 -0.4729 1.9453 1.9453 2.9267 2.9267 4.6614 4.6614 6.4018 6.4018 7.4659 7.4659 8.3435 8.3435 10.9372 10.9372 k =-0.5000 0.2390 0.4544 ( 11298 PWs) bands (ev): -41.2724 -41.2724 -41.2660 -41.2660 -41.0626 -41.0626 -41.0600 -41.0600 -9.7811 -9.7811 -9.7627 -9.7627 -9.7233 -9.7233 -9.7144 -9.7144 -9.3240 -9.3240 -9.3176 -9.3176 -9.2554 -9.2554 -9.2419 -9.2419 -9.1932 -9.1932 -9.1610 -9.1610 -1.8528 -1.8528 -0.4015 -0.4015 1.9395 1.9395 3.0245 3.0245 4.5762 4.5762 6.5319 6.5319 7.4257 7.4257 8.4131 8.4131 10.8294 10.8294 k =-0.5000 0.2390 0.4376 ( 11294 PWs) bands (ev): -41.2728 -41.2728 -41.2657 -41.2657 -41.0627 -41.0627 -41.0599 -41.0599 -9.7818 -9.7818 -9.7616 -9.7616 -9.7238 -9.7238 -9.7141 -9.7141 -9.3242 -9.3242 -9.3175 -9.3175 -9.2556 -9.2556 -9.2413 -9.2413 -9.1952 -9.1952 -9.1601 -9.1601 -1.9232 -1.9232 -0.3351 -0.3351 1.9439 1.9439 3.1255 3.1255 4.4939 4.4939 6.6641 6.6641 7.3870 7.3870 8.4843 8.4843 10.7208 10.7208 k =-0.5000 0.2390 0.4208 ( 11294 PWs) bands (ev): -41.2731 -41.2731 -41.2654 -41.2654 -41.0628 -41.0628 -41.0597 -41.0597 -9.7824 -9.7824 -9.7605 -9.7605 -9.7242 -9.7242 -9.7138 -9.7138 -9.3243 -9.3243 -9.3174 -9.3174 -9.2557 -9.2557 -9.2409 -9.2409 -9.1970 -9.1970 -9.1594 -9.1594 -1.9913 -1.9913 -0.2743 -0.2743 1.9592 1.9592 3.2296 3.2296 4.4146 4.4146 6.7983 6.7983 7.3500 7.3500 8.5571 8.5571 10.6111 10.6111 k =-0.5000 0.2390 0.4039 ( 11288 PWs) bands (ev): -41.2735 -41.2735 -41.2651 -41.2651 -41.0629 -41.0629 -41.0596 -41.0596 -9.7829 -9.7829 -9.7594 -9.7594 -9.7246 -9.7246 -9.7136 -9.7136 -9.3244 -9.3244 -9.3174 -9.3174 -9.2556 -9.2556 -9.2405 -9.2405 -9.1987 -9.1987 -9.1589 -9.1589 -2.0570 -2.0570 -0.2199 -0.2199 1.9860 1.9860 3.3366 3.3366 4.3382 4.3382 6.9344 6.9344 7.3146 7.3146 8.6314 8.6314 10.4995 10.4995 k =-0.5000 0.2390 0.3871 ( 11282 PWs) bands (ev): -41.2738 -41.2738 -41.2648 -41.2648 -41.0631 -41.0631 -41.0594 -41.0594 -9.7834 -9.7834 -9.7584 -9.7584 -9.7250 -9.7250 -9.7134 -9.7134 -9.3245 -9.3245 -9.3175 -9.3175 -9.2554 -9.2554 -9.2403 -9.2403 -9.2002 -9.2002 -9.1585 -9.1585 -2.1203 -2.1203 -0.1722 -0.1722 2.0245 2.0245 3.4465 3.4465 4.2649 4.2649 7.0721 7.0721 7.2807 7.2807 8.7072 8.7072 10.3855 10.3855 k =-0.5000 0.2390 0.3703 ( 11284 PWs) bands (ev): -41.2741 -41.2741 -41.2645 -41.2645 -41.0632 -41.0632 -41.0593 -41.0593 -9.7839 -9.7839 -9.7573 -9.7573 -9.7254 -9.7254 -9.7133 -9.7133 -9.3246 -9.3246 -9.3177 -9.3177 -9.2550 -9.2550 -9.2401 -9.2401 -9.2016 -9.2016 -9.1583 -9.1583 -2.1812 -2.1812 -0.1314 -0.1314 2.0750 2.0750 3.5591 3.5591 4.1945 4.1945 7.2113 7.2113 7.2484 7.2484 8.7844 8.7844 10.2685 10.2685 k =-0.5000 0.2390 0.3534 ( 11296 PWs) bands (ev): -41.2745 -41.2745 -41.2643 -41.2643 -41.0632 -41.0632 -41.0591 -41.0591 -9.7842 -9.7842 -9.7563 -9.7563 -9.7258 -9.7258 -9.7133 -9.7133 -9.3247 -9.3247 -9.3179 -9.3179 -9.2545 -9.2545 -9.2401 -9.2401 -9.2029 -9.2029 -9.1582 -9.1582 -2.2395 -2.2395 -0.0974 -0.0974 2.1374 2.1374 3.6744 3.6744 4.1273 4.1273 7.2175 7.2175 7.3518 7.3518 8.8628 8.8628 10.1474 10.1474 k =-0.5000 0.2390 0.3366 ( 11298 PWs) bands (ev): -41.2748 -41.2748 -41.2640 -41.2640 -41.0633 -41.0633 -41.0590 -41.0590 -9.7845 -9.7845 -9.7553 -9.7553 -9.7261 -9.7261 -9.7133 -9.7133 -9.3248 -9.3248 -9.3181 -9.3181 -9.2539 -9.2539 -9.2401 -9.2401 -9.2039 -9.2039 -9.1583 -9.1583 -2.2953 -2.2953 -0.0701 -0.0701 2.2113 2.2113 3.7922 3.7922 4.0633 4.0633 7.1880 7.1880 7.4933 7.4933 8.9424 8.9424 10.0204 10.0204 k =-0.5000 0.2390 0.3198 ( 11298 PWs) bands (ev): -41.2751 -41.2751 -41.2638 -41.2638 -41.0634 -41.0634 -41.0588 -41.0588 -9.7848 -9.7848 -9.7542 -9.7542 -9.7265 -9.7265 -9.7134 -9.7134 -9.3249 -9.3249 -9.3184 -9.3184 -9.2532 -9.2532 -9.2403 -9.2403 -9.2048 -9.2048 -9.1585 -9.1585 -2.3484 -2.3484 -0.0489 -0.0489 2.2962 2.2962 3.9112 3.9112 4.0037 4.0037 7.1600 7.1600 7.6354 7.6354 9.0231 9.0231 9.8789 9.8789 k =-0.5000 0.2390 0.3029 ( 11306 PWs) bands (ev): -41.2754 -41.2754 -41.2636 -41.2636 -41.0635 -41.0635 -41.0587 -41.0587 -9.7849 -9.7849 -9.7532 -9.7532 -9.7268 -9.7268 -9.7137 -9.7137 -9.3251 -9.3251 -9.3187 -9.3187 -9.2525 -9.2525 -9.2405 -9.2405 -9.2054 -9.2054 -9.1589 -9.1589 -2.3990 -2.3990 -0.0332 -0.0332 2.3914 2.3914 3.9406 3.9406 4.0394 4.0394 7.1333 7.1333 7.7779 7.7779 9.1045 9.1045 9.6853 9.6853 k =-0.5000 0.2390 0.2861 ( 11306 PWs) bands (ev): -41.2757 -41.2757 -41.2633 -41.2633 -41.0636 -41.0636 -41.0586 -41.0586 -9.7850 -9.7850 -9.7522 -9.7522 -9.7271 -9.7271 -9.7139 -9.7139 -9.3253 -9.3253 -9.3189 -9.3189 -9.2517 -9.2517 -9.2407 -9.2407 -9.2058 -9.2058 -9.1595 -9.1595 -2.4469 -2.4469 -0.0223 -0.0223 2.4961 2.4961 3.8870 3.8870 4.1636 4.1636 7.1079 7.1079 7.9201 7.9201 9.1866 9.1866 9.4547 9.4547 k =-0.5000 0.2390 0.2693 ( 11306 PWs) bands (ev): -41.2759 -41.2759 -41.2631 -41.2631 -41.0636 -41.0636 -41.0585 -41.0585 -9.7851 -9.7851 -9.7512 -9.7512 -9.7274 -9.7274 -9.7143 -9.7143 -9.3256 -9.3256 -9.3191 -9.3191 -9.2510 -9.2510 -9.2409 -9.2409 -9.2060 -9.2060 -9.1602 -9.1602 -2.4922 -2.4922 -0.0155 -0.0155 2.6094 2.6094 3.8353 3.8353 4.2913 4.2913 7.0837 7.0837 8.0615 8.0615 9.2176 9.2176 9.2693 9.2693 k =-0.5000 0.2390 0.2525 ( 11306 PWs) bands (ev): -41.2762 -41.2762 -41.2629 -41.2629 -41.0637 -41.0637 -41.0583 -41.0583 -9.7851 -9.7851 -9.7502 -9.7502 -9.7277 -9.7277 -9.7148 -9.7148 -9.3260 -9.3260 -9.3193 -9.3193 -9.2505 -9.2505 -9.2410 -9.2410 -9.2061 -9.2061 -9.1611 -9.1611 -2.5348 -2.5348 -0.0121 -0.0121 2.7305 2.7305 3.7865 3.7865 4.4214 4.4214 7.0607 7.0607 8.2012 8.2012 8.9812 8.9812 9.3362 9.3362 k =-0.5000 0.2390 0.2356 ( 11298 PWs) bands (ev): -41.2764 -41.2764 -41.2627 -41.2627 -41.0638 -41.0638 -41.0582 -41.0582 -9.7851 -9.7851 -9.7491 -9.7491 -9.7279 -9.7279 -9.7153 -9.7153 -9.3264 -9.3264 -9.3194 -9.3194 -9.2501 -9.2501 -9.2408 -9.2408 -9.2059 -9.2059 -9.1621 -9.1621 -2.5747 -2.5747 -0.0115 -0.0115 2.8586 2.8586 3.7407 3.7407 4.5538 4.5538 7.0388 7.0388 8.3377 8.3377 8.7468 8.7468 9.2001 9.2001 k =-0.5000 0.2390 0.2188 ( 11296 PWs) bands (ev): -41.2767 -41.2767 -41.2626 -41.2626 -41.0638 -41.0638 -41.0581 -41.0581 -9.7850 -9.7850 -9.7481 -9.7481 -9.7281 -9.7281 -9.7159 -9.7159 -9.3268 -9.3268 -9.3194 -9.3194 -9.2500 -9.2500 -9.2405 -9.2405 -9.2056 -9.2056 -9.1632 -9.1632 -2.6119 -2.6119 -0.0129 -0.0129 2.9928 2.9928 3.6981 3.6981 4.6883 4.6883 7.0177 7.0177 8.4540 8.4540 8.5312 8.5312 9.0494 9.0494 k =-0.5000 0.2390 0.2020 ( 11316 PWs) bands (ev): -41.2769 -41.2769 -41.2624 -41.2624 -41.0639 -41.0639 -41.0580 -41.0580 -9.7849 -9.7849 -9.7470 -9.7470 -9.7284 -9.7284 -9.7166 -9.7166 -9.3273 -9.3273 -9.3194 -9.3194 -9.2501 -9.2501 -9.2399 -9.2399 -9.2051 -9.2051 -9.1645 -9.1645 -2.6463 -2.6463 -0.0160 -0.0160 3.1324 3.1324 3.6586 3.6586 4.8246 4.8246 6.9974 6.9974 8.2762 8.2762 8.6063 8.6063 8.8985 8.8985 k =-0.5000 0.2390 0.1851 ( 11324 PWs) bands (ev): -41.2771 -41.2771 -41.2623 -41.2623 -41.0639 -41.0639 -41.0579 -41.0579 -9.7847 -9.7847 -9.7460 -9.7460 -9.7286 -9.7286 -9.7174 -9.7174 -9.3279 -9.3279 -9.3194 -9.3194 -9.2504 -9.2504 -9.2391 -9.2391 -9.2044 -9.2044 -9.1659 -9.1659 -2.6781 -2.6781 -0.0202 -0.0202 3.2763 3.2763 3.6223 3.6223 4.9628 4.9628 6.9776 6.9776 8.0511 8.0511 8.6931 8.6931 8.7798 8.7798 k =-0.5000 0.2390 0.1683 ( 11328 PWs) bands (ev): -41.2773 -41.2773 -41.2621 -41.2621 -41.0640 -41.0640 -41.0579 -41.0579 -9.7846 -9.7846 -9.7449 -9.7449 -9.7288 -9.7288 -9.7182 -9.7182 -9.3284 -9.3284 -9.3193 -9.3193 -9.2509 -9.2509 -9.2383 -9.2383 -9.2036 -9.2036 -9.1674 -9.1674 -2.7071 -2.7071 -0.0251 -0.0251 3.4236 3.4236 3.5894 3.5894 5.1024 5.1024 6.9580 6.9580 7.8290 7.8290 8.5742 8.5742 8.8611 8.8611 k =-0.5000 0.2390 0.1515 ( 11324 PWs) bands (ev): -41.2774 -41.2774 -41.2620 -41.2620 -41.0640 -41.0640 -41.0578 -41.0578 -9.7844 -9.7844 -9.7438 -9.7438 -9.7290 -9.7290 -9.7191 -9.7191 -9.3289 -9.3289 -9.3193 -9.3193 -9.2514 -9.2514 -9.2374 -9.2374 -9.2025 -9.2025 -9.1690 -9.1690 -2.7333 -2.7333 -0.0304 -0.0304 3.5521 3.5521 3.5811 3.5811 5.2434 5.2434 6.9382 6.9382 7.6118 7.6118 8.4229 8.4229 8.9674 8.9674 k =-0.5000 0.2390 0.1346 ( 11338 PWs) bands (ev): -41.2776 -41.2776 -41.2619 -41.2619 -41.0640 -41.0640 -41.0577 -41.0577 -9.7842 -9.7842 -9.7427 -9.7427 -9.7292 -9.7292 -9.7200 -9.7200 -9.3294 -9.3294 -9.3192 -9.3192 -9.2519 -9.2519 -9.2365 -9.2365 -9.2014 -9.2014 -9.1707 -9.1707 -2.7568 -2.7568 -0.0359 -0.0359 3.5307 3.5307 3.7274 3.7274 5.3853 5.3853 6.9174 6.9174 7.4004 7.4004 8.2719 8.2719 9.0658 9.0658 k =-0.5000 0.2390 0.1178 ( 11334 PWs) bands (ev): -41.2777 -41.2777 -41.2618 -41.2618 -41.0641 -41.0641 -41.0577 -41.0577 -9.7841 -9.7841 -9.7416 -9.7416 -9.7294 -9.7294 -9.7209 -9.7209 -9.3298 -9.3298 -9.3191 -9.3191 -9.2524 -9.2524 -9.2356 -9.2356 -9.2001 -9.2001 -9.1725 -9.1725 -2.7776 -2.7776 -0.0411 -0.0411 3.5072 3.5072 3.8790 3.8790 5.5278 5.5278 6.8947 6.8947 7.1963 7.1963 8.1245 8.1245 9.1532 9.1532 k =-0.5000 0.2390 0.1010 ( 11336 PWs) bands (ev): -41.2778 -41.2778 -41.2617 -41.2617 -41.0641 -41.0641 -41.0576 -41.0576 -9.7839 -9.7839 -9.7405 -9.7405 -9.7296 -9.7296 -9.7219 -9.7219 -9.3302 -9.3302 -9.3190 -9.3190 -9.2529 -9.2529 -9.2349 -9.2349 -9.1987 -9.1987 -9.1743 -9.1743 -2.7956 -2.7956 -0.0461 -0.0461 3.4866 3.4866 4.0288 4.0288 5.6702 5.6702 6.8688 6.8688 7.0014 7.0014 7.9833 7.9833 9.2285 9.2285 k =-0.5000 0.2390 0.0842 ( 11336 PWs) bands (ev): -41.2780 -41.2780 -41.2616 -41.2616 -41.0641 -41.0641 -41.0576 -41.0576 -9.7838 -9.7838 -9.7395 -9.7395 -9.7298 -9.7298 -9.7228 -9.7228 -9.3305 -9.3305 -9.3189 -9.3189 -9.2534 -9.2534 -9.2342 -9.2342 -9.1972 -9.1972 -9.1761 -9.1761 -2.8108 -2.8108 -0.0505 -0.0505 3.4692 3.4692 4.1740 4.1740 5.8117 5.8117 6.8183 6.8183 6.8375 6.8375 7.8516 7.8516 9.2911 9.2911 k =-0.5000 0.2390 0.0673 ( 11336 PWs) bands (ev): -41.2780 -41.2780 -41.2616 -41.2616 -41.0641 -41.0641 -41.0575 -41.0575 -9.7836 -9.7836 -9.7384 -9.7384 -9.7300 -9.7300 -9.7236 -9.7236 -9.3308 -9.3308 -9.3189 -9.3189 -9.2538 -9.2538 -9.2336 -9.2336 -9.1956 -9.1956 -9.1780 -9.1780 -2.8232 -2.8232 -0.0543 -0.0543 3.4549 3.4549 4.3105 4.3105 5.9511 5.9511 6.6510 6.6510 6.7982 6.7982 7.7336 7.7336 9.3410 9.3410 k =-0.5000 0.2390 0.0505 ( 11348 PWs) bands (ev): -41.2781 -41.2781 -41.2615 -41.2615 -41.0642 -41.0642 -41.0575 -41.0575 -9.7835 -9.7835 -9.7375 -9.7375 -9.7303 -9.7303 -9.7244 -9.7244 -9.3311 -9.3311 -9.3188 -9.3188 -9.2541 -9.2541 -9.2332 -9.2332 -9.1940 -9.1940 -9.1798 -9.1798 -2.8329 -2.8329 -0.0573 -0.0573 3.4437 3.4437 4.4324 4.4324 6.0864 6.0864 6.5053 6.5053 6.7481 6.7481 7.6343 7.6343 9.3786 9.3786 k =-0.5000 0.2390 0.0337 ( 11344 PWs) bands (ev): -41.2781 -41.2781 -41.2615 -41.2615 -41.0642 -41.0642 -41.0575 -41.0575 -9.7835 -9.7835 -9.7366 -9.7366 -9.7306 -9.7306 -9.7250 -9.7250 -9.3312 -9.3312 -9.3188 -9.3188 -9.2543 -9.2543 -9.2329 -9.2329 -9.1925 -9.1925 -9.1815 -9.1815 -2.8398 -2.8398 -0.0595 -0.0595 3.4358 3.4358 4.5314 4.5314 6.2139 6.2139 6.3895 6.3895 6.6853 6.6853 7.5590 7.5590 9.4048 9.4048 k =-0.5000 0.2390 0.0168 ( 11328 PWs) bands (ev): -41.2782 -41.2782 -41.2615 -41.2615 -41.0642 -41.0642 -41.0575 -41.0575 -9.7834 -9.7834 -9.7360 -9.7360 -9.7308 -9.7308 -9.7253 -9.7253 -9.3313 -9.3313 -9.3187 -9.3187 -9.2544 -9.2544 -9.2327 -9.2327 -9.1912 -9.1912 -9.1828 -9.1828 -2.8440 -2.8440 -0.0609 -0.0609 3.4310 3.4310 4.5974 4.5974 6.3066 6.3066 6.3322 6.3322 6.6144 6.6144 7.5122 7.5122 9.4202 9.4202 k =-0.5000 0.2390 0.0000 ( 11320 PWs) bands (ev): -41.2782 -41.2782 -41.2615 -41.2615 -41.0642 -41.0642 -41.0574 -41.0574 -9.7834 -9.7834 -9.7358 -9.7358 -9.7309 -9.7309 -9.7254 -9.7254 -9.3314 -9.3314 -9.3187 -9.3187 -9.2545 -9.2545 -9.2326 -9.2326 -9.1907 -9.1907 -9.1834 -9.1834 -2.8454 -2.8454 -0.0613 -0.0613 3.4294 3.4294 4.6208 4.6208 6.2846 6.2846 6.3847 6.3847 6.5709 6.5709 7.4964 7.4964 9.4253 9.4253 k = 0.0000 0.0000 0.6059 ( 11346 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7216 -9.7216 -9.7216 -9.7216 -9.3221 -9.3221 -9.3221 -9.3221 -9.2491 -9.2491 -9.2491 -9.2491 -9.1729 -9.1729 -9.1729 -9.1729 -1.4874 -1.4874 -1.4874 -1.4874 4.4421 4.4421 4.4421 4.4421 6.2169 6.2169 6.2169 6.2169 6.4278 6.4278 6.4278 6.4278 8.1491 8.1491 k =-0.0152 0.0072 0.6059 ( 11338 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7216 -9.7216 -9.7216 -9.7216 -9.3221 -9.3221 -9.3221 -9.3221 -9.2491 -9.2491 -9.2491 -9.2491 -9.1729 -9.1729 -9.1729 -9.1729 -1.4867 -1.4867 -1.4867 -1.4867 4.4304 4.4304 4.4304 4.4304 6.2306 6.2306 6.2306 6.2306 6.4234 6.4234 6.4234 6.4234 8.1566 8.1566 k =-0.0303 0.0145 0.6059 ( 11334 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7216 -9.7216 -9.7216 -9.7216 -9.3221 -9.3221 -9.3221 -9.3221 -9.2491 -9.2491 -9.2491 -9.2491 -9.1729 -9.1729 -9.1729 -9.1729 -1.4848 -1.4848 -1.4848 -1.4848 4.3965 4.3965 4.3965 4.3965 6.2702 6.2702 6.2702 6.2702 6.4107 6.4107 6.4107 6.4107 8.1786 8.1786 k =-0.0455 0.0217 0.6059 ( 11312 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7215 -9.7215 -9.7215 -9.7215 -9.3221 -9.3221 -9.3221 -9.3221 -9.2491 -9.2491 -9.2491 -9.2491 -9.1730 -9.1730 -9.1730 -9.1730 -1.4815 -1.4815 -1.4815 -1.4815 4.3433 4.3433 4.3433 4.3433 6.3307 6.3307 6.3307 6.3307 6.3924 6.3924 6.3924 6.3924 8.1993 8.1993 k =-0.0606 0.0290 0.6059 ( 11298 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7215 -9.7215 -9.7215 -9.7215 -9.3220 -9.3220 -9.3220 -9.3220 -9.2491 -9.2491 -9.2491 -9.2491 -9.1730 -9.1730 -9.1730 -9.1730 -1.4769 -1.4769 -1.4769 -1.4769 4.2744 4.2744 4.2744 4.2744 6.3539 6.3539 6.3539 6.3539 6.4238 6.4238 6.4238 6.4238 8.2041 8.2041 k =-0.0758 0.0362 0.6059 ( 11314 PWs) bands (ev): -41.2693 -41.2693 -41.2693 -41.2693 -41.0613 -41.0613 -41.0613 -41.0613 -9.7719 -9.7719 -9.7719 -9.7719 -9.7214 -9.7214 -9.7214 -9.7214 -9.3220 -9.3220 -9.3220 -9.3220 -9.2491 -9.2491 -9.2491 -9.2491 -9.1730 -9.1730 -9.1730 -9.1730 -1.4710 -1.4710 -1.4710 -1.4710 4.1937 4.1937 4.1937 4.1937 6.3225 6.3225 6.3225 6.3225 6.5193 6.5193 6.5193 6.5193 8.2108 8.2108 k =-0.0909 0.0435 0.6059 ( 11298 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7720 -9.7720 -9.7720 -9.7720 -9.7214 -9.7214 -9.7214 -9.7214 -9.3220 -9.3220 -9.3220 -9.3220 -9.2491 -9.2491 -9.2491 -9.2491 -9.1731 -9.1731 -9.1731 -9.1731 -1.4639 -1.4639 -1.4639 -1.4639 4.1044 4.1044 4.1044 4.1044 6.2840 6.2840 6.2840 6.2840 6.6288 6.6288 6.6288 6.6288 8.2197 8.2197 k =-0.1061 0.0507 0.6059 ( 11306 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7720 -9.7720 -9.7720 -9.7720 -9.7213 -9.7213 -9.7213 -9.7213 -9.3220 -9.3220 -9.3220 -9.3220 -9.2491 -9.2491 -9.2491 -9.2491 -9.1731 -9.1731 -9.1731 -9.1731 -1.4557 -1.4557 -1.4557 -1.4557 4.0093 4.0093 4.0093 4.0093 6.2416 6.2416 6.2416 6.2416 6.7470 6.7470 6.7470 6.7470 8.2318 8.2318 k =-0.1212 0.0580 0.6059 ( 11302 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7720 -9.7720 -9.7720 -9.7720 -9.7212 -9.7212 -9.7212 -9.7212 -9.3219 -9.3219 -9.3219 -9.3219 -9.2491 -9.2491 -9.2491 -9.2491 -9.1731 -9.1731 -9.1731 -9.1731 -1.4462 -1.4462 -1.4462 -1.4462 3.9104 3.9104 3.9104 3.9104 6.1965 6.1965 6.1965 6.1965 6.8705 6.8705 6.8705 6.8705 8.2480 8.2480 k =-0.1364 0.0652 0.6059 ( 11302 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7720 -9.7720 -9.7720 -9.7720 -9.7211 -9.7211 -9.7211 -9.7211 -9.3219 -9.3219 -9.3219 -9.3219 -9.2491 -9.2491 -9.2491 -9.2491 -9.1732 -9.1732 -9.1732 -9.1732 -1.4356 -1.4356 -1.4356 -1.4356 3.8094 3.8094 3.8094 3.8094 6.1497 6.1497 6.1497 6.1497 6.9963 6.9963 6.9963 6.9963 8.2697 8.2697 k =-0.1515 0.0724 0.6059 ( 11314 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7721 -9.7721 -9.7721 -9.7721 -9.7210 -9.7210 -9.7210 -9.7210 -9.3219 -9.3219 -9.3219 -9.3219 -9.2491 -9.2491 -9.2491 -9.2491 -9.1733 -9.1733 -9.1733 -9.1733 -1.4240 -1.4240 -1.4240 -1.4240 3.7076 3.7076 3.7076 3.7076 6.1020 6.1020 6.1020 6.1020 7.1214 7.1214 7.1214 7.1214 8.2987 8.2987 k =-0.1667 0.0797 0.6059 ( 11318 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7721 -9.7721 -9.7721 -9.7721 -9.7209 -9.7209 -9.7209 -9.7209 -9.3218 -9.3218 -9.3218 -9.3218 -9.2491 -9.2491 -9.2491 -9.2491 -9.1733 -9.1733 -9.1733 -9.1733 -1.4115 -1.4115 -1.4115 -1.4115 3.6060 3.6060 3.6060 3.6060 6.0540 6.0540 6.0540 6.0540 7.2423 7.2423 7.2423 7.2423 8.3373 8.3373 k =-0.1818 0.0869 0.6059 ( 11310 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7721 -9.7721 -9.7721 -9.7721 -9.7208 -9.7208 -9.7208 -9.7208 -9.3218 -9.3218 -9.3218 -9.3218 -9.2491 -9.2491 -9.2491 -9.2491 -9.1734 -9.1734 -9.1734 -9.1734 -1.3980 -1.3980 -1.3980 -1.3980 3.5052 3.5052 3.5052 3.5052 6.0063 6.0063 6.0063 6.0063 7.3554 7.3554 7.3554 7.3554 8.3887 8.3887 k =-0.1970 0.0942 0.6059 ( 11314 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7722 -9.7722 -9.7722 -9.7722 -9.7206 -9.7206 -9.7206 -9.7206 -9.3217 -9.3217 -9.3217 -9.3217 -9.2492 -9.2492 -9.2492 -9.2492 -9.1735 -9.1735 -9.1735 -9.1735 -1.3837 -1.3837 -1.3837 -1.3837 3.4060 3.4060 3.4060 3.4060 5.9593 5.9593 5.9593 5.9593 7.4572 7.4572 7.4572 7.4572 8.4557 8.4557 k =-0.2121 0.1014 0.6059 ( 11312 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7722 -9.7722 -9.7722 -9.7722 -9.7205 -9.7205 -9.7205 -9.7205 -9.3217 -9.3217 -9.3217 -9.3217 -9.2492 -9.2492 -9.2492 -9.2492 -9.1735 -9.1735 -9.1735 -9.1735 -1.3687 -1.3687 -1.3687 -1.3687 3.3089 3.3089 3.3089 3.3089 5.9133 5.9133 5.9133 5.9133 7.5448 7.5448 7.5448 7.5448 8.5407 8.5407 k =-0.2273 0.1087 0.6059 ( 11310 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7723 -9.7723 -9.7723 -9.7723 -9.7204 -9.7204 -9.7204 -9.7204 -9.3216 -9.3216 -9.3216 -9.3216 -9.2492 -9.2492 -9.2492 -9.2492 -9.1736 -9.1736 -9.1736 -9.1736 -1.3530 -1.3530 -1.3530 -1.3530 3.2143 3.2143 3.2143 3.2143 5.8686 5.8686 5.8686 5.8686 7.6168 7.6168 7.6168 7.6168 8.6448 8.6448 k =-0.2424 0.1159 0.6059 ( 11314 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7723 -9.7723 -9.7723 -9.7723 -9.7202 -9.7202 -9.7202 -9.7202 -9.3216 -9.3216 -9.3216 -9.3216 -9.2492 -9.2492 -9.2492 -9.2492 -9.1737 -9.1737 -9.1737 -9.1737 -1.3369 -1.3369 -1.3369 -1.3369 3.1226 3.1226 3.1226 3.1226 5.8255 5.8255 5.8255 5.8255 7.6737 7.6737 7.6737 7.6737 8.7672 8.7672 k =-0.2576 0.1231 0.6059 ( 11314 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7723 -9.7723 -9.7723 -9.7723 -9.7201 -9.7201 -9.7201 -9.7201 -9.3215 -9.3215 -9.3215 -9.3215 -9.2492 -9.2492 -9.2492 -9.2492 -9.1738 -9.1738 -9.1738 -9.1738 -1.3204 -1.3204 -1.3204 -1.3204 3.0342 3.0342 3.0342 3.0342 5.7842 5.7842 5.7842 5.7842 7.7175 7.7175 7.7175 7.7175 8.9055 8.9055 k =-0.2727 0.1304 0.6059 ( 11296 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0613 -41.0613 -41.0613 -41.0613 -9.7724 -9.7724 -9.7724 -9.7724 -9.7200 -9.7200 -9.7200 -9.7200 -9.3215 -9.3215 -9.3215 -9.3215 -9.2492 -9.2492 -9.2492 -9.2492 -9.1739 -9.1739 -9.1739 -9.1739 -1.3037 -1.3037 -1.3037 -1.3037 2.9493 2.9493 2.9493 2.9493 5.7449 5.7449 5.7449 5.7449 7.7507 7.7507 7.7507 7.7507 9.0571 9.0571 k =-0.2879 0.1376 0.6059 ( 11296 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0614 -41.0614 -41.0614 -41.0614 -9.7724 -9.7724 -9.7724 -9.7724 -9.7198 -9.7198 -9.7198 -9.7198 -9.3214 -9.3214 -9.3214 -9.3214 -9.2492 -9.2492 -9.2492 -9.2492 -9.1739 -9.1739 -9.1739 -9.1739 -1.2869 -1.2869 -1.2869 -1.2869 2.8682 2.8682 2.8682 2.8682 5.7076 5.7076 5.7076 5.7076 7.7757 7.7757 7.7757 7.7757 9.2193 9.2193 k =-0.3030 0.1449 0.6059 ( 11288 PWs) bands (ev): -41.2692 -41.2692 -41.2692 -41.2692 -41.0614 -41.0614 -41.0614 -41.0614 -9.7724 -9.7724 -9.7724 -9.7724 -9.7197 -9.7197 -9.7197 -9.7197 -9.3214 -9.3214 -9.3214 -9.3214 -9.2492 -9.2492 -9.2492 -9.2492 -9.1740 -9.1740 -9.1740 -9.1740 -1.2701 -1.2701 -1.2701 -1.2701 2.7913 2.7913 2.7913 2.7913 5.6726 5.6726 5.6726 5.6726 7.7945 7.7945 7.7945 7.7945 9.3899 9.3899 k =-0.3182 0.1521 0.6059 ( 11294 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7725 -9.7725 -9.7725 -9.7725 -9.7196 -9.7196 -9.7196 -9.7196 -9.3213 -9.3213 -9.3213 -9.3213 -9.2492 -9.2492 -9.2492 -9.2492 -9.1741 -9.1741 -9.1741 -9.1741 -1.2536 -1.2536 -1.2536 -1.2536 2.7188 2.7188 2.7188 2.7188 5.6398 5.6398 5.6398 5.6398 7.8086 7.8086 7.8086 7.8086 9.5672 9.5672 k =-0.3333 0.1594 0.6059 ( 11294 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7725 -9.7725 -9.7725 -9.7725 -9.7194 -9.7194 -9.7194 -9.7194 -9.3213 -9.3213 -9.3213 -9.3213 -9.2492 -9.2492 -9.2492 -9.2492 -9.1742 -9.1742 -9.1742 -9.1742 -1.2374 -1.2374 -1.2374 -1.2374 2.6509 2.6509 2.6509 2.6509 5.6094 5.6094 5.6094 5.6094 7.8192 7.8192 7.8192 7.8192 9.7497 9.7497 k =-0.3485 0.1666 0.6059 ( 11302 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7725 -9.7725 -9.7725 -9.7725 -9.7193 -9.7193 -9.7193 -9.7193 -9.3212 -9.3212 -9.3212 -9.3212 -9.2492 -9.2492 -9.2492 -9.2492 -9.1742 -9.1742 -9.1742 -9.1742 -1.2219 -1.2219 -1.2219 -1.2219 2.5879 2.5879 2.5879 2.5879 5.5815 5.5815 5.5815 5.5815 7.8272 7.8272 7.8272 7.8272 9.9363 9.9363 k =-0.3636 0.1739 0.6059 ( 11304 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7726 -9.7726 -9.7726 -9.7726 -9.7192 -9.7192 -9.7192 -9.7192 -9.3212 -9.3212 -9.3212 -9.3212 -9.2492 -9.2492 -9.2492 -9.2492 -9.1743 -9.1743 -9.1743 -9.1743 -1.2071 -1.2071 -1.2071 -1.2071 2.5300 2.5300 2.5300 2.5300 5.5561 5.5561 5.5561 5.5561 7.8332 7.8332 7.8332 7.8332 10.1262 10.1262 k =-0.3788 0.1811 0.6059 ( 11304 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7726 -9.7726 -9.7726 -9.7726 -9.7191 -9.7191 -9.7191 -9.7191 -9.3212 -9.3212 -9.3212 -9.3212 -9.2493 -9.2493 -9.2493 -9.2493 -9.1743 -9.1743 -9.1743 -9.1743 -1.1932 -1.1932 -1.1932 -1.1932 2.4775 2.4775 2.4775 2.4775 5.5332 5.5332 5.5332 5.5332 7.8378 7.8378 7.8378 7.8378 10.3186 10.3186 k =-0.3939 0.1883 0.6059 ( 11300 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7726 -9.7726 -9.7726 -9.7726 -9.7190 -9.7190 -9.7190 -9.7190 -9.3211 -9.3211 -9.3211 -9.3211 -9.2493 -9.2493 -9.2493 -9.2493 -9.1744 -9.1744 -9.1744 -9.1744 -1.1805 -1.1805 -1.1805 -1.1805 2.4305 2.4305 2.4305 2.4305 5.5130 5.5130 5.5130 5.5130 7.8411 7.8411 7.8411 7.8411 10.5129 10.5129 k =-0.4091 0.1956 0.6059 ( 11296 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7726 -9.7726 -9.7726 -9.7726 -9.7190 -9.7190 -9.7190 -9.7190 -9.3211 -9.3211 -9.3211 -9.3211 -9.2493 -9.2493 -9.2493 -9.2493 -9.1744 -9.1744 -9.1744 -9.1744 -1.1690 -1.1690 -1.1690 -1.1690 2.3894 2.3894 2.3894 2.3894 5.4953 5.4953 5.4953 5.4953 7.8437 7.8437 7.8437 7.8437 10.7083 10.7083 k =-0.4242 0.2028 0.6059 ( 11288 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7189 -9.7189 -9.7189 -9.7189 -9.3211 -9.3211 -9.3211 -9.3211 -9.2493 -9.2493 -9.2493 -9.2493 -9.1745 -9.1745 -9.1745 -9.1745 -1.1590 -1.1590 -1.1590 -1.1590 2.3542 2.3542 2.3542 2.3542 5.4804 5.4804 5.4804 5.4804 7.8455 7.8455 7.8455 7.8455 10.9044 10.9044 k =-0.4394 0.2101 0.6059 ( 11296 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7188 -9.7188 -9.7188 -9.7188 -9.3211 -9.3211 -9.3211 -9.3211 -9.2493 -9.2493 -9.2493 -9.2493 -9.1745 -9.1745 -9.1745 -9.1745 -1.1506 -1.1506 -1.1506 -1.1506 2.3252 2.3252 2.3252 2.3252 5.4681 5.4681 5.4681 5.4681 7.8468 7.8468 7.8468 7.8468 11.1002 11.1002 k =-0.4545 0.2173 0.6059 ( 11302 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7188 -9.7188 -9.7188 -9.7188 -9.3210 -9.3210 -9.3210 -9.3210 -9.2493 -9.2493 -9.2493 -9.2493 -9.1745 -9.1745 -9.1745 -9.1745 -1.1440 -1.1440 -1.1440 -1.1440 2.3024 2.3024 2.3024 2.3024 5.4586 5.4586 5.4586 5.4586 7.8477 7.8477 7.8477 7.8477 11.2949 11.2949 k =-0.4697 0.2246 0.6059 ( 11294 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7188 -9.7188 -9.7188 -9.7188 -9.3210 -9.3210 -9.3210 -9.3210 -9.2493 -9.2493 -9.2493 -9.2493 -9.1746 -9.1746 -9.1746 -9.1746 -1.1391 -1.1391 -1.1391 -1.1391 2.2861 2.2861 2.2861 2.2861 5.4517 5.4517 5.4517 5.4517 7.8483 7.8483 7.8483 7.8483 11.4868 11.4868 k =-0.4848 0.2318 0.6059 ( 11292 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7187 -9.7187 -9.7187 -9.7187 -9.3210 -9.3210 -9.3210 -9.3210 -9.2493 -9.2493 -9.2493 -9.2493 -9.1746 -9.1746 -9.1746 -9.1746 -1.1362 -1.1362 -1.1362 -1.1362 2.2763 2.2763 2.2763 2.2763 5.4476 5.4476 5.4476 5.4476 7.8487 7.8487 7.8487 7.8487 11.6710 11.6710 k =-0.5000 0.2390 0.6059 ( 11288 PWs) bands (ev): -41.2691 -41.2691 -41.2691 -41.2691 -41.0614 -41.0614 -41.0614 -41.0614 -9.7727 -9.7727 -9.7727 -9.7727 -9.7187 -9.7187 -9.7187 -9.7187 -9.3210 -9.3210 -9.3210 -9.3210 -9.2493 -9.2493 -9.2493 -9.2493 -9.1746 -9.1746 -9.1746 -9.1746 -1.1352 -1.1352 -1.1352 -1.1352 2.2730 2.2730 2.2730 2.2730 5.4463 5.4463 5.4463 5.4463 7.8488 7.8488 7.8488 7.8488 11.7951 11.7951 Writing output data file Li2Ga.save init_run : 0.24s CPU 0.43s WALL ( 1 calls) electrons : 281.68s CPU 284.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 281.68s CPU 284.89s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.18s WALL ( 400 calls) cegterg : 242.38s CPU 244.43s WALL ( 576 calls) Called by sum_band: Called by *egterg: h_psi : 191.70s CPU 193.56s WALL ( 9116 calls) s_psi : 6.52s CPU 6.44s WALL ( 9116 calls) g_psi : 0.53s CPU 0.55s WALL ( 8140 calls) cdiaghg : 42.45s CPU 42.89s WALL ( 8540 calls) cegterg:over : 11.28s CPU 11.29s WALL ( 8140 calls) cegterg:upda : 11.88s CPU 11.76s WALL ( 8140 calls) cegterg:last : 5.82s CPU 5.90s WALL ( 1376 calls) cdiaghg:chol : 2.48s CPU 2.57s WALL ( 8540 calls) cdiaghg:inve : 1.37s CPU 1.34s WALL ( 8540 calls) cdiaghg:para : 2.56s CPU 2.61s WALL ( 17080 calls) Called by h_psi: h_psi:vloc : 176.10s CPU 177.55s WALL ( 9116 calls) h_psi:vnl : 15.00s CPU 15.37s WALL ( 9116 calls) add_vuspsi : 7.16s CPU 7.16s WALL ( 9116 calls) General routines calbec : 7.81s CPU 8.18s WALL ( 9116 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 166.06s CPU 167.22s WALL ( 766144 calls) davcio : 0.43s CPU 0.54s WALL ( 800 calls) Parallel routines fft_scatter : 45.44s CPU 45.95s WALL ( 766159 calls) PWSCF : 5m13.91s CPU 5m33.58s WALL This run was terminated on: 18:47:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=