Program PWSCF v.5.3.0 (svn rev. 11974) starts on 25Nov2016 at 11:21:20 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 64 processors R & G space division: proc/nbgrp/npool/nimage = 64 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: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 22 6 650 631 98 Max 23 23 7 657 653 105 Sum 1465 1449 421 41831 41003 6495 bravais-lattice index = 14 lattice parameter (alat) = 7.5298 a.u. unit-cell volume = 424.2193 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.529777 celldm(2)= 1.000000 celldm(3)= 0.993679 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.002999 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.002999 0.999996 0.000000 ) a(3) = ( 0.000000 0.000000 0.993679 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.002999 -0.000000 ) b(2) = ( 0.000000 1.000004 -0.000000 ) b(3) = ( 0.000000 0.000000 1.006361 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) 2 Sym. Ops. (no inversion) found 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 478 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089019 0.0089286 -0.0000000), wk = 0.0020921 k( 3) = ( 0.0178038 0.0178572 -0.0000000), wk = 0.0020921 k( 4) = ( 0.0267056 0.0267858 -0.0000000), wk = 0.0020921 k( 5) = ( 0.0356075 0.0357145 -0.0000000), wk = 0.0020921 k( 6) = ( 0.0445094 0.0446431 -0.0000000), wk = 0.0020921 k( 7) = ( 0.0534112 0.0535717 -0.0000000), wk = 0.0020921 k( 8) = ( 0.0623131 0.0625003 -0.0000000), wk = 0.0020921 k( 9) = ( 0.0712150 0.0714289 -0.0000000), wk = 0.0020921 k( 10) = ( 0.0801169 0.0803575 -0.0000000), wk = 0.0020921 k( 11) = ( 0.0890187 0.0892861 -0.0000000), wk = 0.0020921 k( 12) = ( 0.0979206 0.0982147 -0.0000000), wk = 0.0020921 k( 13) = ( 0.1068225 0.1071433 -0.0000000), wk = 0.0020921 k( 14) = ( 0.1157244 0.1160719 -0.0000000), wk = 0.0020921 k( 15) = ( 0.1246262 0.1250006 -0.0000000), wk = 0.0020921 k( 16) = ( 0.1335281 0.1339292 -0.0000000), wk = 0.0020921 k( 17) = ( 0.1424300 0.1428578 -0.0000000), wk = 0.0020921 k( 18) = ( 0.1513319 0.1517864 -0.0000000), wk = 0.0020921 k( 19) = ( 0.1602337 0.1607150 -0.0000000), wk = 0.0020921 k( 20) = ( 0.1691356 0.1696436 -0.0000000), wk = 0.0020921 k( 21) = ( 0.1780375 0.1785722 -0.0000000), wk = 0.0020921 k( 22) = ( 0.1869394 0.1875008 -0.0000000), wk = 0.0020921 k( 23) = ( 0.1958412 0.1964295 -0.0000000), wk = 0.0020921 k( 24) = ( 0.2047431 0.2053581 -0.0000000), wk = 0.0020921 k( 25) = ( 0.2136450 0.2142867 -0.0000000), wk = 0.0020921 k( 26) = ( 0.2225468 0.2232153 -0.0000000), wk = 0.0020921 k( 27) = ( 0.2314487 0.2321439 -0.0000000), wk = 0.0020921 k( 28) = ( 0.2403506 0.2410725 -0.0000000), wk = 0.0020921 k( 29) = ( 0.2492525 0.2500011 -0.0000000), wk = 0.0020921 k( 30) = ( 0.2581543 0.2589297 -0.0000000), wk = 0.0020921 k( 31) = ( 0.2670562 0.2678583 -0.0000000), wk = 0.0020921 k( 32) = ( 0.2759581 0.2767870 -0.0000000), wk = 0.0020921 k( 33) = ( 0.2848600 0.2857156 -0.0000000), wk = 0.0020921 k( 34) = ( 0.2937618 0.2946442 -0.0000000), wk = 0.0020921 k( 35) = ( 0.3026637 0.3035728 -0.0000000), wk = 0.0020921 k( 36) = ( 0.3115656 0.3125014 -0.0000000), wk = 0.0020921 k( 37) = ( 0.3204675 0.3214300 -0.0000000), wk = 0.0020921 k( 38) = ( 0.3293693 0.3303586 -0.0000000), wk = 0.0020921 k( 39) = ( 0.3382712 0.3392872 -0.0000000), wk = 0.0020921 k( 40) = ( 0.3471731 0.3482159 -0.0000000), wk = 0.0020921 k( 41) = ( 0.3560750 0.3571445 -0.0000000), wk = 0.0020921 k( 42) = ( 0.3649768 0.3660731 -0.0000000), wk = 0.0020921 k( 43) = ( 0.3738787 0.3750017 -0.0000000), wk = 0.0020921 k( 44) = ( 0.3827806 0.3839303 -0.0000000), wk = 0.0020921 k( 45) = ( 0.3916825 0.3928589 -0.0000000), wk = 0.0020921 k( 46) = ( 0.4005843 0.4017875 -0.0000000), wk = 0.0020921 k( 47) = ( 0.4094862 0.4107161 -0.0000000), wk = 0.0020921 k( 48) = ( 0.4183881 0.4196447 -0.0000000), wk = 0.0020921 k( 49) = ( 0.4272899 0.4285734 -0.0000000), wk = 0.0020921 k( 50) = ( 0.4361918 0.4375020 -0.0000000), wk = 0.0020921 k( 51) = ( 0.4450937 0.4464306 -0.0000000), wk = 0.0020921 k( 52) = ( 0.4539956 0.4553592 -0.0000000), wk = 0.0020921 k( 53) = ( 0.4628974 0.4642878 -0.0000000), wk = 0.0020921 k( 54) = ( 0.4717993 0.4732164 -0.0000000), wk = 0.0020921 k( 55) = ( 0.4807012 0.4821450 -0.0000000), wk = 0.0020921 k( 56) = ( 0.4896031 0.4910736 -0.0000000), wk = 0.0020921 k( 57) = ( 0.4985049 0.5000022 -0.0000000), wk = 0.0020921 k( 58) = ( 0.4985049 0.5000022 -0.0000000), wk = 0.0020921 k( 59) = ( 0.4860423 0.5000022 -0.0000000), wk = 0.0020921 k( 60) = ( 0.4735797 0.5000023 -0.0000000), wk = 0.0020921 k( 61) = ( 0.4611171 0.5000022 -0.0000000), wk = 0.0020921 k( 62) = ( 0.4486544 0.5000022 -0.0000000), wk = 0.0020921 k( 63) = ( 0.4361918 0.5000023 -0.0000000), wk = 0.0020921 k( 64) = ( 0.4237292 0.5000022 -0.0000000), wk = 0.0020921 k( 65) = ( 0.4112666 0.5000022 -0.0000000), wk = 0.0020921 k( 66) = ( 0.3988040 0.5000023 -0.0000000), wk = 0.0020921 k( 67) = ( 0.3863413 0.5000022 -0.0000000), wk = 0.0020921 k( 68) = ( 0.3738787 0.5000023 -0.0000000), wk = 0.0020921 k( 69) = ( 0.3614161 0.5000022 -0.0000000), wk = 0.0020921 k( 70) = ( 0.3489535 0.5000022 -0.0000000), wk = 0.0020921 k( 71) = ( 0.3364908 0.5000023 -0.0000000), wk = 0.0020921 k( 72) = ( 0.3240282 0.5000022 -0.0000000), wk = 0.0020921 k( 73) = ( 0.3115656 0.5000022 -0.0000000), wk = 0.0020921 k( 74) = ( 0.2991030 0.5000023 -0.0000000), wk = 0.0020921 k( 75) = ( 0.2866403 0.5000022 -0.0000000), wk = 0.0020921 k( 76) = ( 0.2741777 0.5000022 -0.0000000), wk = 0.0020921 k( 77) = ( 0.2617151 0.5000023 -0.0000000), wk = 0.0020921 k( 78) = ( 0.2492525 0.5000022 -0.0000000), wk = 0.0020921 k( 79) = ( 0.2367898 0.5000023 -0.0000000), wk = 0.0020921 k( 80) = ( 0.2243272 0.5000022 -0.0000000), wk = 0.0020921 k( 81) = ( 0.2118646 0.5000022 -0.0000000), wk = 0.0020921 k( 82) = ( 0.1994020 0.5000023 -0.0000000), wk = 0.0020921 k( 83) = ( 0.1869394 0.5000022 -0.0000000), wk = 0.0020921 k( 84) = ( 0.1744767 0.5000022 -0.0000000), wk = 0.0020921 k( 85) = ( 0.1620141 0.5000023 -0.0000000), wk = 0.0020921 k( 86) = ( 0.1495515 0.5000022 -0.0000000), wk = 0.0020921 k( 87) = ( 0.1370889 0.5000022 -0.0000000), wk = 0.0020921 k( 88) = ( 0.1246262 0.5000023 -0.0000000), wk = 0.0020921 k( 89) = ( 0.1121636 0.5000022 -0.0000000), wk = 0.0020921 k( 90) = ( 0.0997010 0.5000022 -0.0000000), wk = 0.0020921 k( 91) = ( 0.0872384 0.5000023 -0.0000000), wk = 0.0020921 k( 92) = ( 0.0747757 0.5000022 -0.0000000), wk = 0.0020921 k( 93) = ( 0.0623131 0.5000023 -0.0000000), wk = 0.0020921 k( 94) = ( 0.0498505 0.5000022 -0.0000000), wk = 0.0020921 k( 95) = ( 0.0373879 0.5000022 -0.0000000), wk = 0.0020921 k( 96) = ( 0.0249252 0.5000023 -0.0000000), wk = 0.0020921 k( 97) = ( 0.0124626 0.5000022 -0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000022 -0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000022 -0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000022 0.0125795), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000022 0.0251590), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000022 0.0377385), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000022 0.0503181), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000022 0.0628976), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000022 0.0754771), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000022 0.0880566), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000022 0.1006361), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000022 0.1132156), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000022 0.1257952), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000022 0.1383747), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000022 0.1509542), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000022 0.1635337), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000022 0.1761132), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000022 0.1886927), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000022 0.2012722), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000022 0.2138518), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000022 0.2264313), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000022 0.2390108), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000022 0.2515903), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000022 0.2641698), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000022 0.2767493), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000022 0.2893288), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000022 0.3019084), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000022 0.3144879), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000022 0.3270674), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000022 0.3396469), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000022 0.3522264), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000022 0.3648059), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000022 0.3773855), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000022 0.3899650), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000022 0.4025445), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000022 0.4151240), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000022 0.4277035), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000022 0.4402830), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000022 0.4528625), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000022 0.4654421), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000022 0.4780216), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000022 0.4906011), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000022 0.5031806), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000022 0.5031806), wk = 0.0020921 k( 141) = ( 0.0124626 0.5000022 0.5031806), wk = 0.0020921 k( 142) = ( 0.0249252 0.5000023 0.5031806), wk = 0.0020921 k( 143) = ( 0.0373879 0.5000022 0.5031806), wk = 0.0020921 k( 144) = ( 0.0498505 0.5000022 0.5031806), wk = 0.0020921 k( 145) = ( 0.0623131 0.5000023 0.5031806), wk = 0.0020921 k( 146) = ( 0.0747757 0.5000022 0.5031806), wk = 0.0020921 k( 147) = ( 0.0872384 0.5000023 0.5031806), wk = 0.0020921 k( 148) = ( 0.0997010 0.5000022 0.5031806), wk = 0.0020921 k( 149) = ( 0.1121636 0.5000022 0.5031806), wk = 0.0020921 k( 150) = ( 0.1246262 0.5000023 0.5031806), wk = 0.0020921 k( 151) = ( 0.1370889 0.5000022 0.5031806), wk = 0.0020921 k( 152) = ( 0.1495515 0.5000022 0.5031806), wk = 0.0020921 k( 153) = ( 0.1620141 0.5000023 0.5031806), wk = 0.0020921 k( 154) = ( 0.1744767 0.5000022 0.5031806), wk = 0.0020921 k( 155) = ( 0.1869394 0.5000022 0.5031806), wk = 0.0020921 k( 156) = ( 0.1994020 0.5000023 0.5031806), wk = 0.0020921 k( 157) = ( 0.2118646 0.5000022 0.5031806), wk = 0.0020921 k( 158) = ( 0.2243272 0.5000022 0.5031806), wk = 0.0020921 k( 159) = ( 0.2367898 0.5000023 0.5031806), wk = 0.0020921 k( 160) = ( 0.2492525 0.5000022 0.5031806), wk = 0.0020921 k( 161) = ( 0.2617151 0.5000023 0.5031806), wk = 0.0020921 k( 162) = ( 0.2741777 0.5000022 0.5031806), wk = 0.0020921 k( 163) = ( 0.2866403 0.5000022 0.5031806), wk = 0.0020921 k( 164) = ( 0.2991030 0.5000023 0.5031806), wk = 0.0020921 k( 165) = ( 0.3115656 0.5000022 0.5031806), wk = 0.0020921 k( 166) = ( 0.3240282 0.5000022 0.5031806), wk = 0.0020921 k( 167) = ( 0.3364908 0.5000023 0.5031806), wk = 0.0020921 k( 168) = ( 0.3489535 0.5000022 0.5031806), wk = 0.0020921 k( 169) = ( 0.3614161 0.5000022 0.5031806), wk = 0.0020921 k( 170) = ( 0.3738787 0.5000023 0.5031806), wk = 0.0020921 k( 171) = ( 0.3863413 0.5000022 0.5031806), wk = 0.0020921 k( 172) = ( 0.3988040 0.5000023 0.5031806), wk = 0.0020921 k( 173) = ( 0.4112666 0.5000022 0.5031806), wk = 0.0020921 k( 174) = ( 0.4237292 0.5000022 0.5031806), wk = 0.0020921 k( 175) = ( 0.4361918 0.5000023 0.5031806), wk = 0.0020921 k( 176) = ( 0.4486544 0.5000022 0.5031806), wk = 0.0020921 k( 177) = ( 0.4611171 0.5000022 0.5031806), wk = 0.0020921 k( 178) = ( 0.4735797 0.5000023 0.5031806), wk = 0.0020921 k( 179) = ( 0.4860423 0.5000022 0.5031806), wk = 0.0020921 k( 180) = ( 0.4985049 0.5000022 0.5031806), wk = 0.0020921 k( 181) = ( 0.4985049 0.5000022 0.5031806), wk = 0.0020921 k( 182) = ( 0.4896031 0.4910736 0.5031806), wk = 0.0020921 k( 183) = ( 0.4807012 0.4821450 0.5031806), wk = 0.0020921 k( 184) = ( 0.4717993 0.4732164 0.5031806), wk = 0.0020921 k( 185) = ( 0.4628974 0.4642878 0.5031806), wk = 0.0020921 k( 186) = ( 0.4539956 0.4553592 0.5031806), wk = 0.0020921 k( 187) = ( 0.4450937 0.4464306 0.5031806), wk = 0.0020921 k( 188) = ( 0.4361918 0.4375020 0.5031806), wk = 0.0020921 k( 189) = ( 0.4272899 0.4285734 0.5031806), wk = 0.0020921 k( 190) = ( 0.4183881 0.4196447 0.5031806), wk = 0.0020921 k( 191) = ( 0.4094862 0.4107161 0.5031806), wk = 0.0020921 k( 192) = ( 0.4005843 0.4017875 0.5031806), wk = 0.0020921 k( 193) = ( 0.3916825 0.3928589 0.5031806), wk = 0.0020921 k( 194) = ( 0.3827806 0.3839303 0.5031806), wk = 0.0020921 k( 195) = ( 0.3738787 0.3750017 0.5031806), wk = 0.0020921 k( 196) = ( 0.3649768 0.3660731 0.5031806), wk = 0.0020921 k( 197) = ( 0.3560750 0.3571445 0.5031806), wk = 0.0020921 k( 198) = ( 0.3471731 0.3482159 0.5031806), wk = 0.0020921 k( 199) = ( 0.3382712 0.3392872 0.5031806), wk = 0.0020921 k( 200) = ( 0.3293693 0.3303586 0.5031806), wk = 0.0020921 k( 201) = ( 0.3204675 0.3214300 0.5031806), wk = 0.0020921 k( 202) = ( 0.3115656 0.3125014 0.5031806), wk = 0.0020921 k( 203) = ( 0.3026637 0.3035728 0.5031806), wk = 0.0020921 k( 204) = ( 0.2937618 0.2946442 0.5031806), wk = 0.0020921 k( 205) = ( 0.2848600 0.2857156 0.5031806), wk = 0.0020921 k( 206) = ( 0.2759581 0.2767870 0.5031806), wk = 0.0020921 k( 207) = ( 0.2670562 0.2678583 0.5031806), wk = 0.0020921 k( 208) = ( 0.2581543 0.2589297 0.5031806), wk = 0.0020921 k( 209) = ( 0.2492525 0.2500011 0.5031806), wk = 0.0020921 k( 210) = ( 0.2403506 0.2410725 0.5031806), wk = 0.0020921 k( 211) = ( 0.2314487 0.2321439 0.5031806), wk = 0.0020921 k( 212) = ( 0.2225468 0.2232153 0.5031806), wk = 0.0020921 k( 213) = ( 0.2136450 0.2142867 0.5031806), wk = 0.0020921 k( 214) = ( 0.2047431 0.2053581 0.5031806), wk = 0.0020921 k( 215) = ( 0.1958412 0.1964295 0.5031806), wk = 0.0020921 k( 216) = ( 0.1869394 0.1875008 0.5031806), wk = 0.0020921 k( 217) = ( 0.1780375 0.1785722 0.5031806), wk = 0.0020921 k( 218) = ( 0.1691356 0.1696436 0.5031806), wk = 0.0020921 k( 219) = ( 0.1602337 0.1607150 0.5031806), wk = 0.0020921 k( 220) = ( 0.1513319 0.1517864 0.5031806), wk = 0.0020921 k( 221) = ( 0.1424300 0.1428578 0.5031806), wk = 0.0020921 k( 222) = ( 0.1335281 0.1339292 0.5031806), wk = 0.0020921 k( 223) = ( 0.1246262 0.1250006 0.5031806), wk = 0.0020921 k( 224) = ( 0.1157244 0.1160719 0.5031806), wk = 0.0020921 k( 225) = ( 0.1068225 0.1071433 0.5031806), wk = 0.0020921 k( 226) = ( 0.0979206 0.0982147 0.5031806), wk = 0.0020921 k( 227) = ( 0.0890187 0.0892861 0.5031806), wk = 0.0020921 k( 228) = ( 0.0801169 0.0803575 0.5031806), wk = 0.0020921 k( 229) = ( 0.0712150 0.0714289 0.5031806), wk = 0.0020921 k( 230) = ( 0.0623131 0.0625003 0.5031806), wk = 0.0020921 k( 231) = ( 0.0534112 0.0535717 0.5031806), wk = 0.0020921 k( 232) = ( 0.0445094 0.0446431 0.5031806), wk = 0.0020921 k( 233) = ( 0.0356075 0.0357145 0.5031806), wk = 0.0020921 k( 234) = ( 0.0267056 0.0267858 0.5031806), wk = 0.0020921 k( 235) = ( 0.0178038 0.0178572 0.5031806), wk = 0.0020921 k( 236) = ( 0.0089019 0.0089286 0.5031806), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.5031806), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.5031806), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4906011), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4780216), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4654421), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4528625), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4402830), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4277035), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4151240), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.4025445), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3899650), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3773855), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3648059), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3522264), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3396469), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3270674), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3144879), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.3019084), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2893288), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2767493), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2641698), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2515903), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2390108), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2264313), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2138518), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.2012722), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1886927), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1761132), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1635337), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1509542), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1383747), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1257952), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1132156), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.1006361), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0880566), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0754771), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0628976), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0503181), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0377385), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0251590), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0125795), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089018 0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178037 0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267055 0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0356073 0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0445092 0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0534110 0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0623128 0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0712147 0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0801165 0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0890183 0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0979202 0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1068220 0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1157238 0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1246257 0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1335275 0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1424293 0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1513312 0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1602330 0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1691348 0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1780367 0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1869385 0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1958403 0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2047422 0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2136440 0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2225459 0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2314477 0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2403495 0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2492514 0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2581532 0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2670550 0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2759568 0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2848587 0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2937605 0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3026624 0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3115642 0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3204660 0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3293679 0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3382697 0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3471715 0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3560734 0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3649752 0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3738770 0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3827789 0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3916807 0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4005825 0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4094844 0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4183862 0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4272880 0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4361899 0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4450917 0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4539935 0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4628954 0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4717972 0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4806990 0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4896009 0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.4985027 0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.4985027 0.0000000), wk = 0.0020921 k( 337) = ( -0.4985049 0.5000023 -0.0000000), wk = 0.0020921 k( 338) = ( -0.4985049 0.5000023 -0.0000000), wk = 0.0020921 k( 339) = ( -0.4985049 0.5000023 0.0125795), wk = 0.0020921 k( 340) = ( -0.4985049 0.5000023 0.0251590), wk = 0.0020921 k( 341) = ( -0.4985049 0.5000023 0.0377385), wk = 0.0020921 k( 342) = ( -0.4985049 0.5000023 0.0503181), wk = 0.0020921 k( 343) = ( -0.4985049 0.5000023 0.0628976), wk = 0.0020921 k( 344) = ( -0.4985049 0.5000023 0.0754771), wk = 0.0020921 k( 345) = ( -0.4985049 0.5000023 0.0880566), wk = 0.0020921 k( 346) = ( -0.4985049 0.5000023 0.1006361), wk = 0.0020921 k( 347) = ( -0.4985049 0.5000023 0.1132156), wk = 0.0020921 k( 348) = ( -0.4985049 0.5000023 0.1257952), wk = 0.0020921 k( 349) = ( -0.4985049 0.5000023 0.1383747), wk = 0.0020921 k( 350) = ( -0.4985049 0.5000023 0.1509542), wk = 0.0020921 k( 351) = ( -0.4985049 0.5000023 0.1635337), wk = 0.0020921 k( 352) = ( -0.4985049 0.5000023 0.1761132), wk = 0.0020921 k( 353) = ( -0.4985049 0.5000023 0.1886927), wk = 0.0020921 k( 354) = ( -0.4985049 0.5000023 0.2012722), wk = 0.0020921 k( 355) = ( -0.4985049 0.5000023 0.2138518), wk = 0.0020921 k( 356) = ( -0.4985049 0.5000023 0.2264313), wk = 0.0020921 k( 357) = ( -0.4985049 0.5000023 0.2390108), wk = 0.0020921 k( 358) = ( -0.4985049 0.5000023 0.2515903), wk = 0.0020921 k( 359) = ( -0.4985049 0.5000023 0.2641698), wk = 0.0020921 k( 360) = ( -0.4985049 0.5000023 0.2767493), wk = 0.0020921 k( 361) = ( -0.4985049 0.5000023 0.2893288), wk = 0.0020921 k( 362) = ( -0.4985049 0.5000023 0.3019084), wk = 0.0020921 k( 363) = ( -0.4985049 0.5000023 0.3144879), wk = 0.0020921 k( 364) = ( -0.4985049 0.5000023 0.3270674), wk = 0.0020921 k( 365) = ( -0.4985049 0.5000023 0.3396469), wk = 0.0020921 k( 366) = ( -0.4985049 0.5000023 0.3522264), wk = 0.0020921 k( 367) = ( -0.4985049 0.5000023 0.3648059), wk = 0.0020921 k( 368) = ( -0.4985049 0.5000023 0.3773855), wk = 0.0020921 k( 369) = ( -0.4985049 0.5000023 0.3899650), wk = 0.0020921 k( 370) = ( -0.4985049 0.5000023 0.4025445), wk = 0.0020921 k( 371) = ( -0.4985049 0.5000023 0.4151240), wk = 0.0020921 k( 372) = ( -0.4985049 0.5000023 0.4277035), wk = 0.0020921 k( 373) = ( -0.4985049 0.5000023 0.4402830), wk = 0.0020921 k( 374) = ( -0.4985049 0.5000023 0.4528625), wk = 0.0020921 k( 375) = ( -0.4985049 0.5000023 0.4654421), wk = 0.0020921 k( 376) = ( -0.4985049 0.5000023 0.4780216), wk = 0.0020921 k( 377) = ( -0.4985049 0.5000023 0.4906011), wk = 0.0020921 k( 378) = ( -0.4985049 0.5000023 0.5031806), wk = 0.0020921 k( 379) = ( -0.4985049 0.5000023 0.5031806), wk = 0.0020921 k( 380) = ( -0.5000000 0.4985027 0.5031806), wk = 0.0020921 k( 381) = ( -0.5000000 0.4985027 0.5031806), wk = 0.0020921 k( 382) = ( -0.5000000 0.4985027 0.4906011), wk = 0.0020921 k( 383) = ( -0.5000000 0.4985027 0.4780216), wk = 0.0020921 k( 384) = ( -0.5000000 0.4985027 0.4654421), wk = 0.0020921 k( 385) = ( -0.5000000 0.4985027 0.4528625), wk = 0.0020921 k( 386) = ( -0.5000000 0.4985027 0.4402830), wk = 0.0020921 k( 387) = ( -0.5000000 0.4985027 0.4277035), wk = 0.0020921 k( 388) = ( -0.5000000 0.4985027 0.4151240), wk = 0.0020921 k( 389) = ( -0.5000000 0.4985027 0.4025445), wk = 0.0020921 k( 390) = ( -0.5000000 0.4985027 0.3899650), wk = 0.0020921 k( 391) = ( -0.5000000 0.4985027 0.3773855), wk = 0.0020921 k( 392) = ( -0.5000000 0.4985027 0.3648059), wk = 0.0020921 k( 393) = ( -0.5000000 0.4985027 0.3522264), wk = 0.0020921 k( 394) = ( -0.5000000 0.4985027 0.3396469), wk = 0.0020921 k( 395) = ( -0.5000000 0.4985027 0.3270674), wk = 0.0020921 k( 396) = ( -0.5000000 0.4985027 0.3144879), wk = 0.0020921 k( 397) = ( -0.5000000 0.4985027 0.3019084), wk = 0.0020921 k( 398) = ( -0.5000000 0.4985027 0.2893288), wk = 0.0020921 k( 399) = ( -0.5000000 0.4985027 0.2767493), wk = 0.0020921 k( 400) = ( -0.5000000 0.4985027 0.2641698), wk = 0.0020921 k( 401) = ( -0.5000000 0.4985027 0.2515903), wk = 0.0020921 k( 402) = ( -0.5000000 0.4985027 0.2390108), wk = 0.0020921 k( 403) = ( -0.5000000 0.4985027 0.2264313), wk = 0.0020921 k( 404) = ( -0.5000000 0.4985027 0.2138518), wk = 0.0020921 k( 405) = ( -0.5000000 0.4985027 0.2012722), wk = 0.0020921 k( 406) = ( -0.5000000 0.4985027 0.1886927), wk = 0.0020921 k( 407) = ( -0.5000000 0.4985027 0.1761132), wk = 0.0020921 k( 408) = ( -0.5000000 0.4985027 0.1635337), wk = 0.0020921 k( 409) = ( -0.5000000 0.4985027 0.1509542), wk = 0.0020921 k( 410) = ( -0.5000000 0.4985027 0.1383747), wk = 0.0020921 k( 411) = ( -0.5000000 0.4985027 0.1257952), wk = 0.0020921 k( 412) = ( -0.5000000 0.4985027 0.1132156), wk = 0.0020921 k( 413) = ( -0.5000000 0.4985027 0.1006361), wk = 0.0020921 k( 414) = ( -0.5000000 0.4985027 0.0880566), wk = 0.0020921 k( 415) = ( -0.5000000 0.4985027 0.0754771), wk = 0.0020921 k( 416) = ( -0.5000000 0.4985027 0.0628976), wk = 0.0020921 k( 417) = ( -0.5000000 0.4985027 0.0503181), wk = 0.0020921 k( 418) = ( -0.5000000 0.4985027 0.0377385), wk = 0.0020921 k( 419) = ( -0.5000000 0.4985027 0.0251590), wk = 0.0020921 k( 420) = ( -0.5000000 0.4985027 0.0125795), wk = 0.0020921 k( 421) = ( -0.5000000 0.4985027 0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.5031806), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089018 0.5031806), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178037 0.5031806), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267055 0.5031806), wk = 0.0020921 k( 426) = ( -0.0357143 0.0356073 0.5031806), wk = 0.0020921 k( 427) = ( -0.0446429 0.0445092 0.5031806), wk = 0.0020921 k( 428) = ( -0.0535714 0.0534110 0.5031806), wk = 0.0020921 k( 429) = ( -0.0625000 0.0623128 0.5031806), wk = 0.0020921 k( 430) = ( -0.0714286 0.0712147 0.5031806), wk = 0.0020921 k( 431) = ( -0.0803571 0.0801165 0.5031806), wk = 0.0020921 k( 432) = ( -0.0892857 0.0890183 0.5031806), wk = 0.0020921 k( 433) = ( -0.0982143 0.0979202 0.5031806), wk = 0.0020921 k( 434) = ( -0.1071429 0.1068220 0.5031806), wk = 0.0020921 k( 435) = ( -0.1160714 0.1157238 0.5031806), wk = 0.0020921 k( 436) = ( -0.1250000 0.1246257 0.5031806), wk = 0.0020921 k( 437) = ( -0.1339286 0.1335275 0.5031806), wk = 0.0020921 k( 438) = ( -0.1428571 0.1424293 0.5031806), wk = 0.0020921 k( 439) = ( -0.1517857 0.1513312 0.5031806), wk = 0.0020921 k( 440) = ( -0.1607143 0.1602330 0.5031806), wk = 0.0020921 k( 441) = ( -0.1696429 0.1691348 0.5031806), wk = 0.0020921 k( 442) = ( -0.1785714 0.1780367 0.5031806), wk = 0.0020921 k( 443) = ( -0.1875000 0.1869385 0.5031806), wk = 0.0020921 k( 444) = ( -0.1964286 0.1958403 0.5031806), wk = 0.0020921 k( 445) = ( -0.2053571 0.2047422 0.5031806), wk = 0.0020921 k( 446) = ( -0.2142857 0.2136440 0.5031806), wk = 0.0020921 k( 447) = ( -0.2232143 0.2225459 0.5031806), wk = 0.0020921 k( 448) = ( -0.2321429 0.2314477 0.5031806), wk = 0.0020921 k( 449) = ( -0.2410714 0.2403495 0.5031806), wk = 0.0020921 k( 450) = ( -0.2500000 0.2492514 0.5031806), wk = 0.0020921 k( 451) = ( -0.2589286 0.2581532 0.5031806), wk = 0.0020921 k( 452) = ( -0.2678571 0.2670550 0.5031806), wk = 0.0020921 k( 453) = ( -0.2767857 0.2759568 0.5031806), wk = 0.0020921 k( 454) = ( -0.2857143 0.2848587 0.5031806), wk = 0.0020921 k( 455) = ( -0.2946429 0.2937605 0.5031806), wk = 0.0020921 k( 456) = ( -0.3035714 0.3026624 0.5031806), wk = 0.0020921 k( 457) = ( -0.3125000 0.3115642 0.5031806), wk = 0.0020921 k( 458) = ( -0.3214286 0.3204660 0.5031806), wk = 0.0020921 k( 459) = ( -0.3303571 0.3293679 0.5031806), wk = 0.0020921 k( 460) = ( -0.3392857 0.3382697 0.5031806), wk = 0.0020921 k( 461) = ( -0.3482143 0.3471715 0.5031806), wk = 0.0020921 k( 462) = ( -0.3571429 0.3560734 0.5031806), wk = 0.0020921 k( 463) = ( -0.3660714 0.3649752 0.5031806), wk = 0.0020921 k( 464) = ( -0.3750000 0.3738770 0.5031806), wk = 0.0020921 k( 465) = ( -0.3839286 0.3827789 0.5031806), wk = 0.0020921 k( 466) = ( -0.3928571 0.3916807 0.5031806), wk = 0.0020921 k( 467) = ( -0.4017857 0.4005825 0.5031806), wk = 0.0020921 k( 468) = ( -0.4107143 0.4094844 0.5031806), wk = 0.0020921 k( 469) = ( -0.4196429 0.4183862 0.5031806), wk = 0.0020921 k( 470) = ( -0.4285714 0.4272880 0.5031806), wk = 0.0020921 k( 471) = ( -0.4375000 0.4361899 0.5031806), wk = 0.0020921 k( 472) = ( -0.4464286 0.4450917 0.5031806), wk = 0.0020921 k( 473) = ( -0.4553571 0.4539935 0.5031806), wk = 0.0020921 k( 474) = ( -0.4642857 0.4628954 0.5031806), wk = 0.0020921 k( 475) = ( -0.4732143 0.4717972 0.5031806), wk = 0.0020921 k( 476) = ( -0.4821429 0.4806990 0.5031806), wk = 0.0020921 k( 477) = ( -0.4910714 0.4896009 0.5031806), wk = 0.0020921 k( 478) = ( -0.5000000 0.4985027 0.5031806), wk = 0.0020921 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089019 0.0089019 0.0000000), wk = 0.0020921 k( 3) = ( 0.0178038 0.0178038 -0.0000000), wk = 0.0020921 k( 4) = ( 0.0267056 0.0267056 0.0000000), wk = 0.0020921 k( 5) = ( 0.0356075 0.0356075 -0.0000000), wk = 0.0020921 k( 6) = ( 0.0445094 0.0445094 0.0000000), wk = 0.0020921 k( 7) = ( 0.0534112 0.0534112 0.0000000), wk = 0.0020921 k( 8) = ( 0.0623131 0.0623131 0.0000000), wk = 0.0020921 k( 9) = ( 0.0712150 0.0712150 0.0000000), wk = 0.0020921 k( 10) = ( 0.0801169 0.0801169 0.0000000), wk = 0.0020921 k( 11) = ( 0.0890187 0.0890187 0.0000000), wk = 0.0020921 k( 12) = ( 0.0979206 0.0979206 0.0000000), wk = 0.0020921 k( 13) = ( 0.1068225 0.1068225 0.0000000), wk = 0.0020921 k( 14) = ( 0.1157244 0.1157244 0.0000000), wk = 0.0020921 k( 15) = ( 0.1246262 0.1246262 0.0000000), wk = 0.0020921 k( 16) = ( 0.1335281 0.1335281 0.0000000), wk = 0.0020921 k( 17) = ( 0.1424300 0.1424300 0.0000000), wk = 0.0020921 k( 18) = ( 0.1513319 0.1513319 0.0000000), wk = 0.0020921 k( 19) = ( 0.1602337 0.1602337 0.0000000), wk = 0.0020921 k( 20) = ( 0.1691356 0.1691356 0.0000000), wk = 0.0020921 k( 21) = ( 0.1780375 0.1780375 0.0000000), wk = 0.0020921 k( 22) = ( 0.1869394 0.1869394 0.0000000), wk = 0.0020921 k( 23) = ( 0.1958412 0.1958412 0.0000000), wk = 0.0020921 k( 24) = ( 0.2047431 0.2047431 0.0000000), wk = 0.0020921 k( 25) = ( 0.2136450 0.2136450 0.0000000), wk = 0.0020921 k( 26) = ( 0.2225468 0.2225468 0.0000000), wk = 0.0020921 k( 27) = ( 0.2314487 0.2314487 0.0000000), wk = 0.0020921 k( 28) = ( 0.2403506 0.2403506 -0.0000000), wk = 0.0020921 k( 29) = ( 0.2492525 0.2492525 0.0000000), wk = 0.0020921 k( 30) = ( 0.2581543 0.2581543 0.0000000), wk = 0.0020921 k( 31) = ( 0.2670562 0.2670562 0.0000000), wk = 0.0020921 k( 32) = ( 0.2759581 0.2759581 0.0000000), wk = 0.0020921 k( 33) = ( 0.2848600 0.2848600 0.0000000), wk = 0.0020921 k( 34) = ( 0.2937618 0.2937618 0.0000000), wk = 0.0020921 k( 35) = ( 0.3026637 0.3026637 0.0000000), wk = 0.0020921 k( 36) = ( 0.3115656 0.3115656 0.0000000), wk = 0.0020921 k( 37) = ( 0.3204675 0.3204675 0.0000000), wk = 0.0020921 k( 38) = ( 0.3293693 0.3293693 0.0000000), wk = 0.0020921 k( 39) = ( 0.3382712 0.3382712 0.0000000), wk = 0.0020921 k( 40) = ( 0.3471731 0.3471731 -0.0000000), wk = 0.0020921 k( 41) = ( 0.3560750 0.3560750 0.0000000), wk = 0.0020921 k( 42) = ( 0.3649768 0.3649768 0.0000000), wk = 0.0020921 k( 43) = ( 0.3738787 0.3738787 0.0000000), wk = 0.0020921 k( 44) = ( 0.3827806 0.3827806 0.0000000), wk = 0.0020921 k( 45) = ( 0.3916825 0.3916825 0.0000000), wk = 0.0020921 k( 46) = ( 0.4005843 0.4005843 -0.0000000), wk = 0.0020921 k( 47) = ( 0.4094862 0.4094862 0.0000000), wk = 0.0020921 k( 48) = ( 0.4183881 0.4183881 0.0000000), wk = 0.0020921 k( 49) = ( 0.4272899 0.4272899 0.0000000), wk = 0.0020921 k( 50) = ( 0.4361918 0.4361918 0.0000000), wk = 0.0020921 k( 51) = ( 0.4450937 0.4450937 0.0000000), wk = 0.0020921 k( 52) = ( 0.4539956 0.4539956 -0.0000000), wk = 0.0020921 k( 53) = ( 0.4628974 0.4628975 0.0000000), wk = 0.0020921 k( 54) = ( 0.4717993 0.4717993 0.0000000), wk = 0.0020921 k( 55) = ( 0.4807012 0.4807012 -0.0000000), wk = 0.0020921 k( 56) = ( 0.4896031 0.4896031 0.0000000), wk = 0.0020921 k( 57) = ( 0.4985049 0.4985049 0.0000000), wk = 0.0020921 k( 58) = ( 0.4985049 0.4985049 0.0000000), wk = 0.0020921 k( 59) = ( 0.4860423 0.4985423 0.0000000), wk = 0.0020921 k( 60) = ( 0.4735797 0.4985797 0.0000000), wk = 0.0020921 k( 61) = ( 0.4611171 0.4986171 0.0000000), wk = 0.0020921 k( 62) = ( 0.4486544 0.4986544 0.0000000), wk = 0.0020921 k( 63) = ( 0.4361918 0.4986918 0.0000000), wk = 0.0020921 k( 64) = ( 0.4237292 0.4987292 -0.0000000), wk = 0.0020921 k( 65) = ( 0.4112666 0.4987666 0.0000000), wk = 0.0020921 k( 66) = ( 0.3988040 0.4988040 0.0000000), wk = 0.0020921 k( 67) = ( 0.3863413 0.4988413 0.0000000), wk = 0.0020921 k( 68) = ( 0.3738787 0.4988787 0.0000000), wk = 0.0020921 k( 69) = ( 0.3614161 0.4989161 0.0000000), wk = 0.0020921 k( 70) = ( 0.3489535 0.4989535 0.0000000), wk = 0.0020921 k( 71) = ( 0.3364908 0.4989908 0.0000000), wk = 0.0020921 k( 72) = ( 0.3240282 0.4990282 0.0000000), wk = 0.0020921 k( 73) = ( 0.3115656 0.4990656 0.0000000), wk = 0.0020921 k( 74) = ( 0.2991030 0.4991030 0.0000000), wk = 0.0020921 k( 75) = ( 0.2866403 0.4991403 -0.0000000), wk = 0.0020921 k( 76) = ( 0.2741777 0.4991777 0.0000000), wk = 0.0020921 k( 77) = ( 0.2617151 0.4992151 0.0000000), wk = 0.0020921 k( 78) = ( 0.2492525 0.4992525 0.0000000), wk = 0.0020921 k( 79) = ( 0.2367898 0.4992899 0.0000000), wk = 0.0020921 k( 80) = ( 0.2243272 0.4993272 0.0000000), wk = 0.0020921 k( 81) = ( 0.2118646 0.4993646 0.0000000), wk = 0.0020921 k( 82) = ( 0.1994020 0.4994020 0.0000000), wk = 0.0020921 k( 83) = ( 0.1869394 0.4994394 0.0000000), wk = 0.0020921 k( 84) = ( 0.1744767 0.4994767 -0.0000000), wk = 0.0020921 k( 85) = ( 0.1620141 0.4995141 0.0000000), wk = 0.0020921 k( 86) = ( 0.1495515 0.4995515 0.0000000), wk = 0.0020921 k( 87) = ( 0.1370889 0.4995889 0.0000000), wk = 0.0020921 k( 88) = ( 0.1246262 0.4996262 0.0000000), wk = 0.0020921 k( 89) = ( 0.1121636 0.4996636 0.0000000), wk = 0.0020921 k( 90) = ( 0.0997010 0.4997010 0.0000000), wk = 0.0020921 k( 91) = ( 0.0872384 0.4997384 0.0000000), wk = 0.0020921 k( 92) = ( 0.0747757 0.4997757 0.0000000), wk = 0.0020921 k( 93) = ( 0.0623131 0.4998131 0.0000000), wk = 0.0020921 k( 94) = ( 0.0498505 0.4998505 0.0000000), wk = 0.0020921 k( 95) = ( 0.0373879 0.4998879 0.0000000), wk = 0.0020921 k( 96) = ( 0.0249252 0.4999253 0.0000000), wk = 0.0020921 k( 97) = ( 0.0124626 0.4999626 0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 141) = ( 0.0124626 0.4999626 0.5000000), wk = 0.0020921 k( 142) = ( 0.0249252 0.4999253 0.5000000), wk = 0.0020921 k( 143) = ( 0.0373879 0.4998879 0.5000000), wk = 0.0020921 k( 144) = ( 0.0498505 0.4998505 0.5000000), wk = 0.0020921 k( 145) = ( 0.0623131 0.4998131 0.5000000), wk = 0.0020921 k( 146) = ( 0.0747757 0.4997757 0.5000000), wk = 0.0020921 k( 147) = ( 0.0872384 0.4997384 0.5000000), wk = 0.0020921 k( 148) = ( 0.0997010 0.4997010 0.5000000), wk = 0.0020921 k( 149) = ( 0.1121636 0.4996636 0.5000000), wk = 0.0020921 k( 150) = ( 0.1246262 0.4996262 0.5000000), wk = 0.0020921 k( 151) = ( 0.1370889 0.4995889 0.5000000), wk = 0.0020921 k( 152) = ( 0.1495515 0.4995515 0.5000000), wk = 0.0020921 k( 153) = ( 0.1620141 0.4995141 0.5000000), wk = 0.0020921 k( 154) = ( 0.1744767 0.4994767 0.5000000), wk = 0.0020921 k( 155) = ( 0.1869394 0.4994394 0.5000000), wk = 0.0020921 k( 156) = ( 0.1994020 0.4994020 0.5000000), wk = 0.0020921 k( 157) = ( 0.2118646 0.4993646 0.5000000), wk = 0.0020921 k( 158) = ( 0.2243272 0.4993272 0.5000000), wk = 0.0020921 k( 159) = ( 0.2367898 0.4992899 0.5000000), wk = 0.0020921 k( 160) = ( 0.2492525 0.4992525 0.5000000), wk = 0.0020921 k( 161) = ( 0.2617151 0.4992151 0.5000000), wk = 0.0020921 k( 162) = ( 0.2741777 0.4991777 0.5000000), wk = 0.0020921 k( 163) = ( 0.2866403 0.4991403 0.5000000), wk = 0.0020921 k( 164) = ( 0.2991030 0.4991030 0.5000000), wk = 0.0020921 k( 165) = ( 0.3115656 0.4990656 0.5000000), wk = 0.0020921 k( 166) = ( 0.3240282 0.4990282 0.5000000), wk = 0.0020921 k( 167) = ( 0.3364908 0.4989908 0.5000000), wk = 0.0020921 k( 168) = ( 0.3489535 0.4989535 0.5000000), wk = 0.0020921 k( 169) = ( 0.3614161 0.4989161 0.5000000), wk = 0.0020921 k( 170) = ( 0.3738787 0.4988787 0.5000000), wk = 0.0020921 k( 171) = ( 0.3863413 0.4988413 0.5000000), wk = 0.0020921 k( 172) = ( 0.3988040 0.4988040 0.5000000), wk = 0.0020921 k( 173) = ( 0.4112666 0.4987666 0.5000000), wk = 0.0020921 k( 174) = ( 0.4237292 0.4987292 0.5000000), wk = 0.0020921 k( 175) = ( 0.4361918 0.4986918 0.5000000), wk = 0.0020921 k( 176) = ( 0.4486544 0.4986544 0.5000000), wk = 0.0020921 k( 177) = ( 0.4611171 0.4986171 0.5000000), wk = 0.0020921 k( 178) = ( 0.4735797 0.4985797 0.5000000), wk = 0.0020921 k( 179) = ( 0.4860423 0.4985423 0.5000000), wk = 0.0020921 k( 180) = ( 0.4985049 0.4985049 0.5000000), wk = 0.0020921 k( 181) = ( 0.4985049 0.4985049 0.5000000), wk = 0.0020921 k( 182) = ( 0.4896031 0.4896031 0.5000000), wk = 0.0020921 k( 183) = ( 0.4807012 0.4807012 0.5000000), wk = 0.0020921 k( 184) = ( 0.4717993 0.4717993 0.5000000), wk = 0.0020921 k( 185) = ( 0.4628974 0.4628975 0.5000000), wk = 0.0020921 k( 186) = ( 0.4539956 0.4539956 0.5000000), wk = 0.0020921 k( 187) = ( 0.4450937 0.4450937 0.5000000), wk = 0.0020921 k( 188) = ( 0.4361918 0.4361918 0.5000000), wk = 0.0020921 k( 189) = ( 0.4272899 0.4272899 0.5000000), wk = 0.0020921 k( 190) = ( 0.4183881 0.4183881 0.5000000), wk = 0.0020921 k( 191) = ( 0.4094862 0.4094862 0.5000000), wk = 0.0020921 k( 192) = ( 0.4005843 0.4005843 0.5000000), wk = 0.0020921 k( 193) = ( 0.3916825 0.3916825 0.5000000), wk = 0.0020921 k( 194) = ( 0.3827806 0.3827806 0.5000000), wk = 0.0020921 k( 195) = ( 0.3738787 0.3738787 0.5000000), wk = 0.0020921 k( 196) = ( 0.3649768 0.3649768 0.5000000), wk = 0.0020921 k( 197) = ( 0.3560750 0.3560750 0.5000000), wk = 0.0020921 k( 198) = ( 0.3471731 0.3471731 0.5000000), wk = 0.0020921 k( 199) = ( 0.3382712 0.3382712 0.5000000), wk = 0.0020921 k( 200) = ( 0.3293693 0.3293693 0.5000000), wk = 0.0020921 k( 201) = ( 0.3204675 0.3204675 0.5000000), wk = 0.0020921 k( 202) = ( 0.3115656 0.3115656 0.5000000), wk = 0.0020921 k( 203) = ( 0.3026637 0.3026637 0.5000000), wk = 0.0020921 k( 204) = ( 0.2937618 0.2937618 0.5000000), wk = 0.0020921 k( 205) = ( 0.2848600 0.2848600 0.5000000), wk = 0.0020921 k( 206) = ( 0.2759581 0.2759581 0.5000000), wk = 0.0020921 k( 207) = ( 0.2670562 0.2670562 0.5000000), wk = 0.0020921 k( 208) = ( 0.2581543 0.2581543 0.5000000), wk = 0.0020921 k( 209) = ( 0.2492525 0.2492525 0.5000000), wk = 0.0020921 k( 210) = ( 0.2403506 0.2403506 0.5000000), wk = 0.0020921 k( 211) = ( 0.2314487 0.2314487 0.5000000), wk = 0.0020921 k( 212) = ( 0.2225468 0.2225468 0.5000000), wk = 0.0020921 k( 213) = ( 0.2136450 0.2136450 0.5000000), wk = 0.0020921 k( 214) = ( 0.2047431 0.2047431 0.5000000), wk = 0.0020921 k( 215) = ( 0.1958412 0.1958412 0.5000000), wk = 0.0020921 k( 216) = ( 0.1869394 0.1869394 0.5000000), wk = 0.0020921 k( 217) = ( 0.1780375 0.1780375 0.5000000), wk = 0.0020921 k( 218) = ( 0.1691356 0.1691356 0.5000000), wk = 0.0020921 k( 219) = ( 0.1602337 0.1602337 0.5000000), wk = 0.0020921 k( 220) = ( 0.1513319 0.1513319 0.5000000), wk = 0.0020921 k( 221) = ( 0.1424300 0.1424300 0.5000000), wk = 0.0020921 k( 222) = ( 0.1335281 0.1335281 0.5000000), wk = 0.0020921 k( 223) = ( 0.1246262 0.1246262 0.5000000), wk = 0.0020921 k( 224) = ( 0.1157244 0.1157244 0.5000000), wk = 0.0020921 k( 225) = ( 0.1068225 0.1068225 0.5000000), wk = 0.0020921 k( 226) = ( 0.0979206 0.0979206 0.5000000), wk = 0.0020921 k( 227) = ( 0.0890187 0.0890187 0.5000000), wk = 0.0020921 k( 228) = ( 0.0801169 0.0801169 0.5000000), wk = 0.0020921 k( 229) = ( 0.0712150 0.0712150 0.5000000), wk = 0.0020921 k( 230) = ( 0.0623131 0.0623131 0.5000000), wk = 0.0020921 k( 231) = ( 0.0534112 0.0534112 0.5000000), wk = 0.0020921 k( 232) = ( 0.0445094 0.0445094 0.5000000), wk = 0.0020921 k( 233) = ( 0.0356075 0.0356075 0.5000000), wk = 0.0020921 k( 234) = ( 0.0267056 0.0267056 0.5000000), wk = 0.0020921 k( 235) = ( 0.0178038 0.0178038 0.5000000), wk = 0.0020921 k( 236) = ( 0.0089019 0.0089019 0.5000000), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089286 0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267857 -0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0446429 0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0803571 0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0982143 0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1160714 -0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1339286 -0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1517857 -0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1607143 0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1696429 -0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2053571 -0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2232143 -0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2410714 -0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2589286 -0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2767857 -0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2946429 -0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3303571 -0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3482143 -0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3660714 0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3839286 -0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4017857 -0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4196429 0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4553571 -0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4732143 0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4910714 0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 337) = ( -0.4985049 0.5014951 -0.0000000), wk = 0.0020921 k( 338) = ( -0.4985049 0.5014951 -0.0000000), wk = 0.0020921 k( 339) = ( -0.4985049 0.5014951 0.0125000), wk = 0.0020921 k( 340) = ( -0.4985049 0.5014951 0.0250000), wk = 0.0020921 k( 341) = ( -0.4985049 0.5014951 0.0375000), wk = 0.0020921 k( 342) = ( -0.4985049 0.5014951 0.0500000), wk = 0.0020921 k( 343) = ( -0.4985049 0.5014951 0.0625000), wk = 0.0020921 k( 344) = ( -0.4985049 0.5014951 0.0750000), wk = 0.0020921 k( 345) = ( -0.4985049 0.5014951 0.0875000), wk = 0.0020921 k( 346) = ( -0.4985049 0.5014951 0.1000000), wk = 0.0020921 k( 347) = ( -0.4985049 0.5014951 0.1125000), wk = 0.0020921 k( 348) = ( -0.4985049 0.5014951 0.1250000), wk = 0.0020921 k( 349) = ( -0.4985049 0.5014951 0.1375000), wk = 0.0020921 k( 350) = ( -0.4985049 0.5014951 0.1500000), wk = 0.0020921 k( 351) = ( -0.4985049 0.5014951 0.1625000), wk = 0.0020921 k( 352) = ( -0.4985049 0.5014951 0.1750000), wk = 0.0020921 k( 353) = ( -0.4985049 0.5014951 0.1875000), wk = 0.0020921 k( 354) = ( -0.4985049 0.5014951 0.2000000), wk = 0.0020921 k( 355) = ( -0.4985049 0.5014951 0.2125000), wk = 0.0020921 k( 356) = ( -0.4985049 0.5014951 0.2250000), wk = 0.0020921 k( 357) = ( -0.4985049 0.5014951 0.2375000), wk = 0.0020921 k( 358) = ( -0.4985049 0.5014951 0.2500000), wk = 0.0020921 k( 359) = ( -0.4985049 0.5014951 0.2625000), wk = 0.0020921 k( 360) = ( -0.4985049 0.5014951 0.2750000), wk = 0.0020921 k( 361) = ( -0.4985049 0.5014951 0.2875000), wk = 0.0020921 k( 362) = ( -0.4985049 0.5014951 0.3000000), wk = 0.0020921 k( 363) = ( -0.4985049 0.5014951 0.3125000), wk = 0.0020921 k( 364) = ( -0.4985049 0.5014951 0.3250000), wk = 0.0020921 k( 365) = ( -0.4985049 0.5014951 0.3375000), wk = 0.0020921 k( 366) = ( -0.4985049 0.5014951 0.3500000), wk = 0.0020921 k( 367) = ( -0.4985049 0.5014951 0.3625000), wk = 0.0020921 k( 368) = ( -0.4985049 0.5014951 0.3750000), wk = 0.0020921 k( 369) = ( -0.4985049 0.5014951 0.3875000), wk = 0.0020921 k( 370) = ( -0.4985049 0.5014951 0.4000000), wk = 0.0020921 k( 371) = ( -0.4985049 0.5014951 0.4125000), wk = 0.0020921 k( 372) = ( -0.4985049 0.5014951 0.4250000), wk = 0.0020921 k( 373) = ( -0.4985049 0.5014951 0.4375000), wk = 0.0020921 k( 374) = ( -0.4985049 0.5014951 0.4500000), wk = 0.0020921 k( 375) = ( -0.4985049 0.5014951 0.4625000), wk = 0.0020921 k( 376) = ( -0.4985049 0.5014951 0.4750000), wk = 0.0020921 k( 377) = ( -0.4985049 0.5014951 0.4875000), wk = 0.0020921 k( 378) = ( -0.4985049 0.5014951 0.5000000), wk = 0.0020921 k( 379) = ( -0.4985049 0.5014951 0.5000000), wk = 0.0020921 k( 380) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 381) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 382) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0020921 k( 383) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0020921 k( 384) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0020921 k( 385) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0020921 k( 386) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0020921 k( 387) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0020921 k( 388) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0020921 k( 389) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0020921 k( 390) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0020921 k( 391) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0020921 k( 392) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0020921 k( 393) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0020921 k( 394) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0020921 k( 395) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0020921 k( 396) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0020921 k( 397) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0020921 k( 398) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0020921 k( 399) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0020921 k( 400) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0020921 k( 401) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0020921 k( 402) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0020921 k( 403) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0020921 k( 404) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0020921 k( 405) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0020921 k( 406) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0020921 k( 407) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0020921 k( 408) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0020921 k( 409) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0020921 k( 410) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0020921 k( 411) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0020921 k( 412) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0020921 k( 413) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0020921 k( 414) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0020921 k( 415) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0020921 k( 416) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0020921 k( 417) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0020921 k( 418) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0020921 k( 419) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0020921 k( 420) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0020921 k( 421) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0020921 k( 426) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0020921 k( 427) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0020921 k( 428) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0020921 k( 429) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0020921 k( 430) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0020921 k( 431) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0020921 k( 432) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0020921 k( 433) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0020921 k( 434) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0020921 k( 435) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0020921 k( 436) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0020921 k( 437) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0020921 k( 438) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0020921 k( 439) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0020921 k( 440) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0020921 k( 441) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0020921 k( 442) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0020921 k( 443) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0020921 k( 444) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0020921 k( 445) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0020921 k( 446) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0020921 k( 447) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0020921 k( 448) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0020921 k( 449) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0020921 k( 450) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0020921 k( 451) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0020921 k( 452) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0020921 k( 453) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0020921 k( 454) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0020921 k( 455) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0020921 k( 456) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0020921 k( 457) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0020921 k( 458) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0020921 k( 459) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0020921 k( 460) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0020921 k( 461) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0020921 k( 462) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0020921 k( 463) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0020921 k( 464) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0020921 k( 465) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0020921 k( 466) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0020921 k( 467) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0020921 k( 468) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0020921 k( 469) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0020921 k( 470) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0020921 k( 471) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0020921 k( 472) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0020921 k( 473) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0020921 k( 474) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0020921 k( 475) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0020921 k( 476) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0020921 k( 477) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0020921 k( 478) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 Dense grid: 41831 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 41003 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 176, 48) NL pseudopotentials 0.15 Mb ( 88, 111) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 655) G-vector shells 0.00 Mb ( 330) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 176, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs + 14 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 9.8 secs Computing kpt #: 2 total cpu time spent up to now is 16.4 secs Computing kpt #: 3 total cpu time spent up to now is 20.3 secs Computing kpt #: 4 total cpu time spent up to now is 22.7 secs Computing kpt #: 5 total cpu time spent up to now is 25.1 secs Computing kpt #: 6 total cpu time spent up to now is 26.9 secs Computing kpt #: 7 total cpu time spent up to now is 29.6 secs Computing kpt #: 8 total cpu time spent up to now is 31.9 secs Computing kpt #: 9 total cpu time spent up to now is 35.5 secs Computing kpt #: 10 total cpu time spent up to now is 38.5 secs Computing kpt #: 11 total cpu time spent up to now is 44.0 secs Computing kpt #: 12 total cpu time spent up to now is 46.3 secs Computing kpt #: 13 total cpu time spent up to now is 49.7 secs Computing kpt #: 14 total cpu time spent up to now is 53.8 secs Computing kpt #: 15 total cpu time spent up to now is 57.2 secs Computing kpt #: 16 total cpu time spent up to now is 62.2 secs Computing kpt #: 17 total cpu time spent up to now is 65.1 secs Computing kpt #: 18 total cpu time spent up to now is 68.6 secs Computing kpt #: 19 total cpu time spent up to now is 71.6 secs Computing kpt #: 20 total cpu time spent up to now is 74.0 secs Computing kpt #: 21 total cpu time spent up to now is 75.9 secs Computing kpt #: 22 total cpu time spent up to now is 77.5 secs Computing kpt #: 23 total cpu time spent up to now is 79.3 secs Computing kpt #: 24 total cpu time spent up to now is 81.4 secs Computing kpt #: 25 total cpu time spent up to now is 83.2 secs Computing kpt #: 26 total cpu time spent up to now is 85.1 secs Computing kpt #: 27 total cpu time spent up to now is 86.3 secs Computing kpt #: 28 total cpu time spent up to now is 88.2 secs Computing kpt #: 29 total cpu time spent up to now is 90.9 secs Computing kpt #: 30 total cpu time spent up to now is 93.4 secs Computing kpt #: 31 total cpu time spent up to now is 96.6 secs Computing kpt #: 32 total cpu time spent up to now is 104.6 secs Computing kpt #: 33 total cpu time spent up to now is 107.1 secs Computing kpt #: 34 total cpu time spent up to now is 110.9 secs Computing kpt #: 35 total cpu time spent up to now is 117.9 secs Computing kpt #: 36 total cpu time spent up to now is 121.7 secs Computing kpt #: 37 total cpu time spent up to now is 125.2 secs Computing kpt #: 38 total cpu time spent up to now is 129.0 secs Computing kpt #: 39 total cpu time spent up to now is 131.6 secs Computing kpt #: 40 total cpu time spent up to now is 133.1 secs Computing kpt #: 41 total cpu time spent up to now is 135.0 secs Computing kpt #: 42 total cpu time spent up to now is 136.2 secs Computing kpt #: 43 total cpu time spent up to now is 137.8 secs Computing kpt #: 44 total cpu time spent up to now is 139.6 secs Computing kpt #: 45 total cpu time spent up to now is 141.6 secs Computing kpt #: 46 total cpu time spent up to now is 143.6 secs Computing kpt #: 47 total cpu time spent up to now is 144.9 secs Computing kpt #: 48 total cpu time spent up to now is 146.3 secs Computing kpt #: 49 total cpu time spent up to now is 147.9 secs Computing kpt #: 50 total cpu time spent up to now is 150.1 secs Computing kpt #: 51 total cpu time spent up to now is 151.9 secs Computing kpt #: 52 total cpu time spent up to now is 153.7 secs Computing kpt #: 53 total cpu time spent up to now is 154.8 secs Computing kpt #: 54 total cpu time spent up to now is 157.3 secs Computing kpt #: 55 total cpu time spent up to now is 160.5 secs Computing kpt #: 56 total cpu time spent up to now is 162.8 secs Computing kpt #: 57 total cpu time spent up to now is 164.1 secs Computing kpt #: 58 total cpu time spent up to now is 165.5 secs Computing kpt #: 59 total cpu time spent up to now is 166.7 secs Computing kpt #: 60 total cpu time spent up to now is 168.5 secs Computing kpt #: 61 total cpu time spent up to now is 170.6 secs Computing kpt #: 62 total cpu time spent up to now is 172.3 secs Computing kpt #: 63 total cpu time spent up to now is 174.9 secs Computing kpt #: 64 total cpu time spent up to now is 177.1 secs Computing kpt #: 65 total cpu time spent up to now is 181.0 secs Computing kpt #: 66 total cpu time spent up to now is 182.9 secs Computing kpt #: 67 total cpu time spent up to now is 185.4 secs Computing kpt #: 68 total cpu time spent up to now is 189.2 secs Computing kpt #: 69 total cpu time spent up to now is 192.0 secs Computing kpt #: 70 total cpu time spent up to now is 194.7 secs Computing kpt #: 71 total cpu time spent up to now is 195.8 secs Computing kpt #: 72 total cpu time spent up to now is 197.3 secs Computing kpt #: 73 total cpu time spent up to now is 199.0 secs Computing kpt #: 74 total cpu time spent up to now is 201.1 secs Computing kpt #: 75 total cpu time spent up to now is 202.9 secs Computing kpt #: 76 total cpu time spent up to now is 204.7 secs Computing kpt #: 77 total cpu time spent up to now is 206.4 secs Computing kpt #: 78 total cpu time spent up to now is 208.7 secs Computing kpt #: 79 total cpu time spent up to now is 211.1 secs Computing kpt #: 80 total cpu time spent up to now is 213.0 secs Computing kpt #: 81 total cpu time spent up to now is 214.9 secs Computing kpt #: 82 total cpu time spent up to now is 218.5 secs Computing kpt #: 83 total cpu time spent up to now is 221.9 secs Computing kpt #: 84 total cpu time spent up to now is 224.7 secs Computing kpt #: 85 total cpu time spent up to now is 227.0 secs Computing kpt #: 86 total cpu time spent up to now is 229.7 secs Computing kpt #: 87 total cpu time spent up to now is 232.3 secs Computing kpt #: 88 total cpu time spent up to now is 234.0 secs Computing kpt #: 89 total cpu time spent up to now is 235.4 secs Computing kpt #: 90 total cpu time spent up to now is 236.6 secs Computing kpt #: 91 total cpu time spent up to now is 238.7 secs Computing kpt #: 92 total cpu time spent up to now is 240.9 secs Computing kpt #: 93 total cpu time spent up to now is 243.4 secs Computing kpt #: 94 total cpu time spent up to now is 248.1 secs Computing kpt #: 95 total cpu time spent up to now is 251.5 secs Computing kpt #: 96 total cpu time spent up to now is 254.7 secs Computing kpt #: 97 total cpu time spent up to now is 257.1 secs Computing kpt #: 98 total cpu time spent up to now is 260.6 secs Computing kpt #: 99 total cpu time spent up to now is 264.1 secs Computing kpt #: 100 total cpu time spent up to now is 268.0 secs Computing kpt #: 101 total cpu time spent up to now is 272.6 secs Computing kpt #: 102 total cpu time spent up to now is 280.3 secs Computing kpt #: 103 total cpu time spent up to now is 286.9 secs Computing kpt #: 104 total cpu time spent up to now is 292.9 secs Computing kpt #: 105 total cpu time spent up to now is 296.5 secs Computing kpt #: 106 total cpu time spent up to now is 300.1 secs Computing kpt #: 107 total cpu time spent up to now is 302.7 secs Computing kpt #: 108 total cpu time spent up to now is 304.9 secs Computing kpt #: 109 total cpu time spent up to now is 309.0 secs Computing kpt #: 110 total cpu time spent up to now is 313.1 secs Computing kpt #: 111 total cpu time spent up to now is 315.0 secs Computing kpt #: 112 total cpu time spent up to now is 317.0 secs Computing kpt #: 113 total cpu time spent up to now is 319.7 secs Computing kpt #: 114 total cpu time spent up to now is 325.1 secs Computing kpt #: 115 total cpu time spent up to now is 327.2 secs Computing kpt #: 116 total cpu time spent up to now is 330.5 secs Computing kpt #: 117 total cpu time spent up to now is 332.5 secs Computing kpt #: 118 total cpu time spent up to now is 336.3 secs Computing kpt #: 119 total cpu time spent up to now is 339.8 secs Computing kpt #: 120 total cpu time spent up to now is 342.8 secs Computing kpt #: 121 total cpu time spent up to now is 344.7 secs Computing kpt #: 122 total cpu time spent up to now is 345.9 secs Computing kpt #: 123 total cpu time spent up to now is 347.7 secs Computing kpt #: 124 total cpu time spent up to now is 349.8 secs Computing kpt #: 125 total cpu time spent up to now is 351.9 secs Computing kpt #: 126 total cpu time spent up to now is 353.7 secs Computing kpt #: 127 total cpu time spent up to now is 354.9 secs Computing kpt #: 128 total cpu time spent up to now is 357.6 secs Computing kpt #: 129 total cpu time spent up to now is 360.7 secs Computing kpt #: 130 total cpu time spent up to now is 365.7 secs Computing kpt #: 131 total cpu time spent up to now is 368.9 secs Computing kpt #: 132 total cpu time spent up to now is 373.2 secs Computing kpt #: 133 total cpu time spent up to now is 374.8 secs Computing kpt #: 134 total cpu time spent up to now is 377.4 secs Computing kpt #: 135 total cpu time spent up to now is 380.2 secs Computing kpt #: 136 total cpu time spent up to now is 382.8 secs Computing kpt #: 137 total cpu time spent up to now is 385.6 secs Computing kpt #: 138 total cpu time spent up to now is 387.5 secs Computing kpt #: 139 total cpu time spent up to now is 391.4 secs Computing kpt #: 140 total cpu time spent up to now is 396.8 secs Computing kpt #: 141 total cpu time spent up to now is 401.6 secs Computing kpt #: 142 total cpu time spent up to now is 404.3 secs Computing kpt #: 143 total cpu time spent up to now is 407.2 secs Computing kpt #: 144 total cpu time spent up to now is 411.7 secs Computing kpt #: 145 total cpu time spent up to now is 415.7 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 419.6 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.9 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 429.4 secs Computing kpt #: 149 total cpu time spent up to now is 434.6 secs Computing kpt #: 150 total cpu time spent up to now is 440.8 secs Computing kpt #: 151 total cpu time spent up to now is 444.6 secs Computing kpt #: 152 total cpu time spent up to now is 447.7 secs Computing kpt #: 153 total cpu time spent up to now is 451.9 secs Computing kpt #: 154 total cpu time spent up to now is 453.9 secs Computing kpt #: 155 total cpu time spent up to now is 460.4 secs Computing kpt #: 156 total cpu time spent up to now is 465.3 secs Computing kpt #: 157 total cpu time spent up to now is 466.9 secs Computing kpt #: 158 total cpu time spent up to now is 468.7 secs Computing kpt #: 159 total cpu time spent up to now is 471.4 secs Computing kpt #: 160 total cpu time spent up to now is 473.4 secs Computing kpt #: 161 total cpu time spent up to now is 475.1 secs Computing kpt #: 162 total cpu time spent up to now is 478.0 secs Computing kpt #: 163 total cpu time spent up to now is 483.6 secs Computing kpt #: 164 total cpu time spent up to now is 484.9 secs Computing kpt #: 165 total cpu time spent up to now is 487.9 secs Computing kpt #: 166 total cpu time spent up to now is 491.9 secs Computing kpt #: 167 total cpu time spent up to now is 494.5 secs Computing kpt #: 168 total cpu time spent up to now is 497.2 secs Computing kpt #: 169 total cpu time spent up to now is 499.5 secs Computing kpt #: 170 total cpu time spent up to now is 501.9 secs Computing kpt #: 171 total cpu time spent up to now is 503.6 secs Computing kpt #: 172 total cpu time spent up to now is 504.8 secs Computing kpt #: 173 total cpu time spent up to now is 506.2 secs Computing kpt #: 174 total cpu time spent up to now is 507.8 secs Computing kpt #: 175 total cpu time spent up to now is 510.1 secs Computing kpt #: 176 total cpu time spent up to now is 511.9 secs Computing kpt #: 177 total cpu time spent up to now is 514.0 secs Computing kpt #: 178 total cpu time spent up to now is 515.5 secs Computing kpt #: 179 total cpu time spent up to now is 518.5 secs Computing kpt #: 180 total cpu time spent up to now is 521.7 secs Computing kpt #: 181 total cpu time spent up to now is 523.2 secs Computing kpt #: 182 total cpu time spent up to now is 524.8 secs Computing kpt #: 183 total cpu time spent up to now is 526.1 secs Computing kpt #: 184 total cpu time spent up to now is 527.7 secs Computing kpt #: 185 total cpu time spent up to now is 529.6 secs Computing kpt #: 186 total cpu time spent up to now is 531.7 secs Computing kpt #: 187 total cpu time spent up to now is 533.5 secs Computing kpt #: 188 total cpu time spent up to now is 535.0 secs Computing kpt #: 189 total cpu time spent up to now is 536.3 secs Computing kpt #: 190 total cpu time spent up to now is 538.0 secs Computing kpt #: 191 total cpu time spent up to now is 540.7 secs Computing kpt #: 192 total cpu time spent up to now is 542.6 secs Computing kpt #: 193 total cpu time spent up to now is 544.5 secs Computing kpt #: 194 total cpu time spent up to now is 547.9 secs Computing kpt #: 195 total cpu time spent up to now is 551.3 secs Computing kpt #: 196 total cpu time spent up to now is 554.3 secs Computing kpt #: 197 total cpu time spent up to now is 558.1 secs Computing kpt #: 198 total cpu time spent up to now is 561.8 secs Computing kpt #: 199 total cpu time spent up to now is 564.7 secs Computing kpt #: 200 total cpu time spent up to now is 566.6 secs Computing kpt #: 201 total cpu time spent up to now is 570.2 secs Computing kpt #: 202 total cpu time spent up to now is 573.3 secs Computing kpt #: 203 total cpu time spent up to now is 574.8 secs Computing kpt #: 204 total cpu time spent up to now is 578.9 secs Computing kpt #: 205 total cpu time spent up to now is 582.8 secs Computing kpt #: 206 total cpu time spent up to now is 585.0 secs Computing kpt #: 207 total cpu time spent up to now is 586.5 secs Computing kpt #: 208 total cpu time spent up to now is 588.5 secs Computing kpt #: 209 total cpu time spent up to now is 590.7 secs Computing kpt #: 210 total cpu time spent up to now is 594.1 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 597.4 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.1 secs Computing kpt #: 213 total cpu time spent up to now is 605.7 secs Computing kpt #: 214 total cpu time spent up to now is 610.0 secs Computing kpt #: 215 total cpu time spent up to now is 613.8 secs Computing kpt #: 216 total cpu time spent up to now is 616.6 secs Computing kpt #: 217 total cpu time spent up to now is 620.9 secs Computing kpt #: 218 total cpu time spent up to now is 624.3 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 628.9 secs Computing kpt #: 220 total cpu time spent up to now is 632.4 secs Computing kpt #: 221 total cpu time spent up to now is 635.1 secs Computing kpt #: 222 total cpu time spent up to now is 640.5 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 644.4 secs Computing kpt #: 224 total cpu time spent up to now is 647.0 secs Computing kpt #: 225 total cpu time spent up to now is 651.4 secs Computing kpt #: 226 total cpu time spent up to now is 655.5 secs Computing kpt #: 227 total cpu time spent up to now is 657.8 secs Computing kpt #: 228 total cpu time spent up to now is 662.0 secs Computing kpt #: 229 total cpu time spent up to now is 665.4 secs Computing kpt #: 230 total cpu time spent up to now is 669.0 secs Computing kpt #: 231 total cpu time spent up to now is 673.9 secs Computing kpt #: 232 total cpu time spent up to now is 676.9 secs Computing kpt #: 233 total cpu time spent up to now is 679.3 secs Computing kpt #: 234 total cpu time spent up to now is 683.2 secs Computing kpt #: 235 total cpu time spent up to now is 686.4 secs Computing kpt #: 236 total cpu time spent up to now is 690.2 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 693.1 secs Computing kpt #: 238 total cpu time spent up to now is 696.2 secs Computing kpt #: 239 total cpu time spent up to now is 701.0 secs Computing kpt #: 240 total cpu time spent up to now is 703.8 secs Computing kpt #: 241 total cpu time spent up to now is 706.2 secs Computing kpt #: 242 total cpu time spent up to now is 708.4 secs Computing kpt #: 243 total cpu time spent up to now is 711.6 secs Computing kpt #: 244 total cpu time spent up to now is 715.0 secs Computing kpt #: 245 total cpu time spent up to now is 717.4 secs Computing kpt #: 246 total cpu time spent up to now is 720.6 secs Computing kpt #: 247 total cpu time spent up to now is 723.9 secs Computing kpt #: 248 total cpu time spent up to now is 725.6 secs Computing kpt #: 249 total cpu time spent up to now is 730.0 secs Computing kpt #: 250 total cpu time spent up to now is 733.4 secs Computing kpt #: 251 total cpu time spent up to now is 734.9 secs Computing kpt #: 252 total cpu time spent up to now is 736.1 secs Computing kpt #: 253 total cpu time spent up to now is 739.5 secs Computing kpt #: 254 total cpu time spent up to now is 741.7 secs Computing kpt #: 255 total cpu time spent up to now is 746.7 secs Computing kpt #: 256 total cpu time spent up to now is 751.6 secs Computing kpt #: 257 total cpu time spent up to now is 756.9 secs Computing kpt #: 258 total cpu time spent up to now is 760.3 secs Computing kpt #: 259 total cpu time spent up to now is 762.9 secs Computing kpt #: 260 total cpu time spent up to now is 766.0 secs Computing kpt #: 261 total cpu time spent up to now is 770.0 secs Computing kpt #: 262 total cpu time spent up to now is 775.6 secs Computing kpt #: 263 total cpu time spent up to now is 778.1 secs Computing kpt #: 264 total cpu time spent up to now is 781.8 secs Computing kpt #: 265 total cpu time spent up to now is 786.5 secs Computing kpt #: 266 total cpu time spent up to now is 790.2 secs Computing kpt #: 267 total cpu time spent up to now is 792.6 secs Computing kpt #: 268 total cpu time spent up to now is 794.4 secs Computing kpt #: 269 total cpu time spent up to now is 797.1 secs Computing kpt #: 270 total cpu time spent up to now is 800.4 secs Computing kpt #: 271 total cpu time spent up to now is 803.7 secs Computing kpt #: 272 total cpu time spent up to now is 805.5 secs Computing kpt #: 273 total cpu time spent up to now is 807.2 secs Computing kpt #: 274 total cpu time spent up to now is 809.6 secs Computing kpt #: 275 total cpu time spent up to now is 811.8 secs Computing kpt #: 276 total cpu time spent up to now is 813.6 secs Computing kpt #: 277 total cpu time spent up to now is 815.8 secs Computing kpt #: 278 total cpu time spent up to now is 819.7 secs Computing kpt #: 279 total cpu time spent up to now is 823.3 secs Computing kpt #: 280 total cpu time spent up to now is 826.1 secs Computing kpt #: 281 total cpu time spent up to now is 828.3 secs Computing kpt #: 282 total cpu time spent up to now is 831.8 secs Computing kpt #: 283 total cpu time spent up to now is 834.3 secs Computing kpt #: 284 total cpu time spent up to now is 836.5 secs Computing kpt #: 285 total cpu time spent up to now is 841.0 secs Computing kpt #: 286 total cpu time spent up to now is 843.3 secs Computing kpt #: 287 total cpu time spent up to now is 844.6 secs Computing kpt #: 288 total cpu time spent up to now is 847.5 secs Computing kpt #: 289 total cpu time spent up to now is 851.9 secs Computing kpt #: 290 total cpu time spent up to now is 854.7 secs Computing kpt #: 291 total cpu time spent up to now is 856.2 secs Computing kpt #: 292 total cpu time spent up to now is 859.2 secs Computing kpt #: 293 total cpu time spent up to now is 862.0 secs Computing kpt #: 294 total cpu time spent up to now is 864.6 secs Computing kpt #: 295 total cpu time spent up to now is 867.5 secs Computing kpt #: 296 total cpu time spent up to now is 870.4 secs Computing kpt #: 297 total cpu time spent up to now is 874.4 secs Computing kpt #: 298 total cpu time spent up to now is 876.3 secs Computing kpt #: 299 total cpu time spent up to now is 879.8 secs Computing kpt #: 300 total cpu time spent up to now is 884.9 secs Computing kpt #: 301 total cpu time spent up to now is 886.1 secs Computing kpt #: 302 total cpu time spent up to now is 889.0 secs Computing kpt #: 303 total cpu time spent up to now is 891.4 secs Computing kpt #: 304 total cpu time spent up to now is 895.2 secs Computing kpt #: 305 total cpu time spent up to now is 897.7 secs Computing kpt #: 306 total cpu time spent up to now is 900.7 secs Computing kpt #: 307 total cpu time spent up to now is 903.5 secs Computing kpt #: 308 total cpu time spent up to now is 906.1 secs Computing kpt #: 309 total cpu time spent up to now is 909.6 secs Computing kpt #: 310 total cpu time spent up to now is 912.2 secs Computing kpt #: 311 total cpu time spent up to now is 915.8 secs Computing kpt #: 312 total cpu time spent up to now is 918.0 secs Computing kpt #: 313 total cpu time spent up to now is 923.2 secs Computing kpt #: 314 total cpu time spent up to now is 926.0 secs Computing kpt #: 315 total cpu time spent up to now is 929.0 secs Computing kpt #: 316 total cpu time spent up to now is 931.0 secs Computing kpt #: 317 total cpu time spent up to now is 933.7 secs Computing kpt #: 318 total cpu time spent up to now is 937.4 secs Computing kpt #: 319 total cpu time spent up to now is 940.9 secs Computing kpt #: 320 total cpu time spent up to now is 942.9 secs Computing kpt #: 321 total cpu time spent up to now is 944.3 secs Computing kpt #: 322 total cpu time spent up to now is 946.4 secs Computing kpt #: 323 total cpu time spent up to now is 948.2 secs Computing kpt #: 324 total cpu time spent up to now is 950.2 secs Computing kpt #: 325 total cpu time spent up to now is 952.4 secs Computing kpt #: 326 total cpu time spent up to now is 954.8 secs Computing kpt #: 327 total cpu time spent up to now is 956.1 secs Computing kpt #: 328 total cpu time spent up to now is 957.6 secs Computing kpt #: 329 total cpu time spent up to now is 959.7 secs Computing kpt #: 330 total cpu time spent up to now is 962.2 secs Computing kpt #: 331 total cpu time spent up to now is 964.1 secs Computing kpt #: 332 total cpu time spent up to now is 966.9 secs Computing kpt #: 333 total cpu time spent up to now is 973.5 secs Computing kpt #: 334 total cpu time spent up to now is 979.3 secs Computing kpt #: 335 total cpu time spent up to now is 987.1 secs Computing kpt #: 336 total cpu time spent up to now is 989.8 secs Computing kpt #: 337 total cpu time spent up to now is 996.8 secs Computing kpt #: 338 total cpu time spent up to now is 1002.7 secs Computing kpt #: 339 total cpu time spent up to now is 1004.7 secs Computing kpt #: 340 total cpu time spent up to now is 1007.3 secs Computing kpt #: 341 total cpu time spent up to now is 1009.8 secs Computing kpt #: 342 total cpu time spent up to now is 1014.8 secs Computing kpt #: 343 total cpu time spent up to now is 1016.6 secs Computing kpt #: 344 total cpu time spent up to now is 1018.8 secs Computing kpt #: 345 total cpu time spent up to now is 1023.7 secs Computing kpt #: 346 total cpu time spent up to now is 1025.6 secs Computing kpt #: 347 total cpu time spent up to now is 1028.9 secs Computing kpt #: 348 total cpu time spent up to now is 1031.9 secs Computing kpt #: 349 total cpu time spent up to now is 1033.3 secs Computing kpt #: 350 total cpu time spent up to now is 1035.2 secs Computing kpt #: 351 total cpu time spent up to now is 1036.4 secs Computing kpt #: 352 total cpu time spent up to now is 1038.8 secs Computing kpt #: 353 total cpu time spent up to now is 1040.8 secs Computing kpt #: 354 total cpu time spent up to now is 1042.6 secs Computing kpt #: 355 total cpu time spent up to now is 1044.2 secs Computing kpt #: 356 total cpu time spent up to now is 1045.6 secs Computing kpt #: 357 total cpu time spent up to now is 1046.9 secs Computing kpt #: 358 total cpu time spent up to now is 1049.0 secs Computing kpt #: 359 total cpu time spent up to now is 1051.0 secs Computing kpt #: 360 total cpu time spent up to now is 1052.9 secs Computing kpt #: 361 total cpu time spent up to now is 1054.4 secs Computing kpt #: 362 total cpu time spent up to now is 1056.3 secs Computing kpt #: 363 total cpu time spent up to now is 1059.7 secs Computing kpt #: 364 total cpu time spent up to now is 1062.5 secs Computing kpt #: 365 total cpu time spent up to now is 1064.0 secs Computing kpt #: 366 total cpu time spent up to now is 1065.4 secs Computing kpt #: 367 total cpu time spent up to now is 1066.5 secs Computing kpt #: 368 total cpu time spent up to now is 1068.5 secs Computing kpt #: 369 total cpu time spent up to now is 1070.7 secs Computing kpt #: 370 total cpu time spent up to now is 1072.9 secs Computing kpt #: 371 total cpu time spent up to now is 1075.2 secs Computing kpt #: 372 total cpu time spent up to now is 1077.0 secs Computing kpt #: 373 total cpu time spent up to now is 1079.8 secs Computing kpt #: 374 total cpu time spent up to now is 1082.4 secs Computing kpt #: 375 total cpu time spent up to now is 1083.5 secs Computing kpt #: 376 total cpu time spent up to now is 1085.2 secs Computing kpt #: 377 total cpu time spent up to now is 1091.0 secs Computing kpt #: 378 total cpu time spent up to now is 1093.9 secs Computing kpt #: 379 total cpu time spent up to now is 1095.8 secs Computing kpt #: 380 total cpu time spent up to now is 1097.4 secs Computing kpt #: 381 total cpu time spent up to now is 1099.1 secs Computing kpt #: 382 total cpu time spent up to now is 1101.2 secs Computing kpt #: 383 total cpu time spent up to now is 1103.0 secs Computing kpt #: 384 total cpu time spent up to now is 1104.4 secs Computing kpt #: 385 total cpu time spent up to now is 1106.1 secs Computing kpt #: 386 total cpu time spent up to now is 1109.0 secs Computing kpt #: 387 total cpu time spent up to now is 1111.0 secs Computing kpt #: 388 total cpu time spent up to now is 1112.8 secs Computing kpt #: 389 total cpu time spent up to now is 1114.0 secs Computing kpt #: 390 total cpu time spent up to now is 1115.5 secs Computing kpt #: 391 total cpu time spent up to now is 1118.5 secs Computing kpt #: 392 total cpu time spent up to now is 1121.9 secs Computing kpt #: 393 total cpu time spent up to now is 1123.4 secs Computing kpt #: 394 total cpu time spent up to now is 1124.9 secs Computing kpt #: 395 total cpu time spent up to now is 1126.2 secs Computing kpt #: 396 total cpu time spent up to now is 1128.0 secs Computing kpt #: 397 total cpu time spent up to now is 1129.9 secs Computing kpt #: 398 total cpu time spent up to now is 1132.4 secs Computing kpt #: 399 total cpu time spent up to now is 1134.2 secs Computing kpt #: 400 total cpu time spent up to now is 1136.0 secs Computing kpt #: 401 total cpu time spent up to now is 1137.6 secs Computing kpt #: 402 total cpu time spent up to now is 1139.7 secs Computing kpt #: 403 total cpu time spent up to now is 1141.6 secs Computing kpt #: 404 total cpu time spent up to now is 1143.8 secs Computing kpt #: 405 total cpu time spent up to now is 1145.1 secs Computing kpt #: 406 total cpu time spent up to now is 1147.8 secs Computing kpt #: 407 total cpu time spent up to now is 1151.3 secs Computing kpt #: 408 total cpu time spent up to now is 1153.0 secs Computing kpt #: 409 total cpu time spent up to now is 1154.4 secs Computing kpt #: 410 total cpu time spent up to now is 1156.2 secs Computing kpt #: 411 total cpu time spent up to now is 1158.4 secs Computing kpt #: 412 total cpu time spent up to now is 1160.9 secs Computing kpt #: 413 total cpu time spent up to now is 1162.9 secs Computing kpt #: 414 total cpu time spent up to now is 1164.7 secs Computing kpt #: 415 total cpu time spent up to now is 1166.9 secs Computing kpt #: 416 total cpu time spent up to now is 1169.2 secs Computing kpt #: 417 total cpu time spent up to now is 1171.6 secs Computing kpt #: 418 total cpu time spent up to now is 1174.7 secs Computing kpt #: 419 total cpu time spent up to now is 1179.9 secs Computing kpt #: 420 total cpu time spent up to now is 1182.6 secs Computing kpt #: 421 total cpu time spent up to now is 1184.9 secs Computing kpt #: 422 total cpu time spent up to now is 1188.0 secs Computing kpt #: 423 total cpu time spent up to now is 1192.7 secs Computing kpt #: 424 total cpu time spent up to now is 1195.1 secs Computing kpt #: 425 total cpu time spent up to now is 1199.7 secs Computing kpt #: 426 total cpu time spent up to now is 1204.4 secs Computing kpt #: 427 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1210.3 secs Computing kpt #: 428 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1214.1 secs Computing kpt #: 429 total cpu time spent up to now is 1217.9 secs Computing kpt #: 430 total cpu time spent up to now is 1224.2 secs Computing kpt #: 431 total cpu time spent up to now is 1229.8 secs Computing kpt #: 432 total cpu time spent up to now is 1234.1 secs Computing kpt #: 433 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1240.1 secs Computing kpt #: 434 total cpu time spent up to now is 1242.6 secs Computing kpt #: 435 total cpu time spent up to now is 1245.6 secs Computing kpt #: 436 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1249.1 secs Computing kpt #: 437 total cpu time spent up to now is 1259.2 secs Computing kpt #: 438 total cpu time spent up to now is 1264.8 secs Computing kpt #: 439 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1272.0 secs Computing kpt #: 440 total cpu time spent up to now is 1276.6 secs Computing kpt #: 441 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1280.3 secs Computing kpt #: 442 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1283.4 secs Computing kpt #: 443 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1292.0 secs Computing kpt #: 444 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1294.4 secs Computing kpt #: 445 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1300.6 secs Computing kpt #: 446 total cpu time spent up to now is 1302.7 secs Computing kpt #: 447 total cpu time spent up to now is 1304.6 secs Computing kpt #: 448 total cpu time spent up to now is 1306.3 secs Computing kpt #: 449 total cpu time spent up to now is 1309.4 secs Computing kpt #: 450 total cpu time spent up to now is 1312.7 secs Computing kpt #: 451 total cpu time spent up to now is 1314.3 secs Computing kpt #: 452 total cpu time spent up to now is 1315.8 secs Computing kpt #: 453 total cpu time spent up to now is 1318.1 secs Computing kpt #: 454 total cpu time spent up to now is 1321.3 secs Computing kpt #: 455 total cpu time spent up to now is 1323.8 secs Computing kpt #: 456 total cpu time spent up to now is 1325.3 secs Computing kpt #: 457 total cpu time spent up to now is 1330.3 secs Computing kpt #: 458 total cpu time spent up to now is 1335.7 secs Computing kpt #: 459 total cpu time spent up to now is 1340.4 secs Computing kpt #: 460 total cpu time spent up to now is 1343.2 secs Computing kpt #: 461 total cpu time spent up to now is 1346.8 secs Computing kpt #: 462 total cpu time spent up to now is 1349.2 secs Computing kpt #: 463 total cpu time spent up to now is 1353.1 secs Computing kpt #: 464 total cpu time spent up to now is 1357.1 secs Computing kpt #: 465 total cpu time spent up to now is 1361.1 secs Computing kpt #: 466 total cpu time spent up to now is 1363.5 secs Computing kpt #: 467 total cpu time spent up to now is 1367.0 secs Computing kpt #: 468 total cpu time spent up to now is 1370.3 secs Computing kpt #: 469 total cpu time spent up to now is 1373.3 secs Computing kpt #: 470 total cpu time spent up to now is 1374.4 secs Computing kpt #: 471 total cpu time spent up to now is 1376.3 secs Computing kpt #: 472 total cpu time spent up to now is 1378.8 secs Computing kpt #: 473 total cpu time spent up to now is 1381.1 secs Computing kpt #: 474 total cpu time spent up to now is 1382.9 secs Computing kpt #: 475 total cpu time spent up to now is 1385.1 secs Computing kpt #: 476 total cpu time spent up to now is 1389.2 secs Computing kpt #: 477 total cpu time spent up to now is 1393.6 secs Computing kpt #: 478 total cpu time spent up to now is 1395.4 secs ethr = 2.50E-11, avg # of iterations = 44.2 total cpu time spent up to now is 1395.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5141 PWs) bands (ev): -44.2083 -44.2083 -22.7434 -22.7434 -20.6212 -20.6212 -20.2305 -20.2305 -15.9213 -15.9213 -8.0206 -8.0206 -6.1293 -6.1293 -2.9193 -2.9193 -1.5537 -1.5537 0.0814 0.0814 1.7750 1.7750 5.7897 5.7897 5.8389 5.8389 8.1147 8.1147 8.9921 8.9921 9.0465 9.0465 9.2708 9.2708 9.8927 9.8927 9.9743 9.9743 11.5245 11.5245 11.6593 11.6593 13.2415 13.2415 14.6010 14.6010 14.8127 14.8127 k = 0.0089 0.0089-0.0000 ( 5131 PWs) bands (ev): -44.2083 -44.2083 -22.7434 -22.7434 -20.6215 -20.6211 -20.2308 -20.2303 -15.9212 -15.9212 -8.0198 -8.0197 -6.1293 -6.1293 -2.9207 -2.9207 -1.5543 -1.5532 0.0804 0.0821 1.7751 1.7754 5.7864 5.7954 5.8355 5.8448 8.1118 8.1120 8.9856 8.9862 9.0383 9.0481 9.2637 9.2733 9.8910 9.9005 9.9771 9.9859 11.5265 11.5273 11.6588 11.6589 13.2416 13.2436 14.6015 14.6020 14.8098 14.8119 k = 0.0178 0.0179-0.0000 ( 5121 PWs) bands (ev): -44.2083 -44.2083 -22.7433 -22.7433 -20.6218 -20.6211 -20.2312 -20.2303 -15.9209 -15.9209 -8.0173 -8.0170 -6.1293 -6.1292 -2.9249 -2.9248 -1.5551 -1.5529 0.0792 0.0826 1.7757 1.7763 5.7855 5.8033 5.8343 5.8530 8.1034 8.1037 8.9671 8.9682 9.0238 9.0430 9.2524 9.2712 9.8970 9.9129 9.9954 10.0099 11.5334 11.5349 11.6572 11.6574 13.2438 13.2478 14.6033 14.6041 14.8033 14.8070 k = 0.0267 0.0268-0.0000 ( 5121 PWs) bands (ev): -44.2083 -44.2083 -22.7433 -22.7433 -20.6223 -20.6212 -20.2318 -20.2305 -15.9205 -15.9204 -8.0131 -8.0126 -6.1292 -6.1290 -2.9319 -2.9318 -1.5559 -1.5526 0.0777 0.0829 1.7768 1.7777 5.7869 5.8134 5.8358 5.8635 8.0896 8.0902 8.9380 8.9395 9.0033 9.0309 9.2371 9.2644 9.9109 9.9297 10.0275 10.0444 11.5449 11.5473 11.6547 11.6550 13.2483 13.2541 14.6056 14.6065 14.7935 14.7981 k = 0.0356 0.0357-0.0000 ( 5121 PWs) bands (ev): -44.2083 -44.2083 -22.7433 -22.7433 -20.6230 -20.6214 -20.2325 -20.2307 -15.9198 -15.9197 -8.0071 -8.0064 -6.1290 -6.1288 -2.9417 -2.9415 -1.5569 -1.5525 0.0760 0.0829 1.7785 1.7797 5.7906 5.8250 5.8406 5.8765 8.0709 8.0717 8.9001 8.9017 8.9770 9.0119 9.2183 9.2528 9.9324 9.9516 10.0705 10.0877 11.5609 11.5640 11.6512 11.6518 13.2549 13.2625 14.6070 14.6077 14.7806 14.7854 k = 0.0445 0.0446-0.0000 ( 5121 PWs) bands (ev): -44.2083 -44.2083 -22.7433 -22.7432 -20.6237 -20.6218 -20.2333 -20.2311 -15.9190 -15.9189 -7.9994 -7.9986 -6.1288 -6.1285 -2.9542 -2.9539 -1.5580 -1.5525 0.0741 0.0826 1.7806 1.7821 5.7967 5.8359 5.8506 5.8918 8.0478 8.0487 8.8552 8.8568 8.9452 8.9860 9.1963 9.2367 9.9606 9.9790 10.1219 10.1381 11.5809 11.5849 11.6470 11.6478 13.2639 13.2731 14.6059 14.6059 14.7646 14.7692 k = 0.0534 0.0536-0.0000 ( 5119 PWs) bands (ev): -44.2082 -44.2082 -22.7432 -22.7432 -20.6246 -20.6223 -20.2343 -20.2317 -15.9180 -15.9179 -7.9900 -7.9890 -6.1285 -6.1281 -2.9693 -2.9689 -1.5592 -1.5527 0.0720 0.0821 1.7832 1.7851 5.8050 5.8456 5.8666 5.9096 8.0206 8.0217 8.8049 8.8063 8.9082 8.9535 9.1712 9.2161 9.9948 10.0116 10.1795 10.1943 11.6041 11.6093 11.6423 11.6438 13.2752 13.2858 14.5997 14.6006 14.7455 14.7496 k = 0.0623 0.0625-0.0000 ( 5115 PWs) bands (ev): -44.2082 -44.2082 -22.7432 -22.7431 -20.6256 -20.6229 -20.2353 -20.2323 -15.9168 -15.9167 -7.9790 -7.9778 -6.1282 -6.1277 -2.9871 -2.9866 -1.5605 -1.5530 0.0697 0.0814 1.7864 1.7885 5.8155 5.8559 5.8867 5.9299 7.9899 7.9912 8.7505 8.7517 8.8663 8.9147 9.1434 9.1913 10.0340 10.0491 10.2419 10.2550 11.6248 11.6302 11.6439 11.6452 13.2887 13.3005 14.5880 14.5901 14.7235 14.7269 k = 0.0712 0.0714-0.0000 ( 5107 PWs) bands (ev): -44.2082 -44.2082 -22.7431 -22.7431 -20.6267 -20.6236 -20.2365 -20.2331 -15.9155 -15.9153 -7.9662 -7.9648 -6.1279 -6.1272 -3.0075 -3.0069 -1.5619 -1.5534 0.0671 0.0804 1.7900 1.7924 5.8282 5.8678 5.9098 5.9526 7.9563 7.9578 8.6933 8.6942 8.8198 8.8701 9.1128 9.1625 10.0775 10.0908 10.3078 10.3193 11.6259 11.6273 11.6687 11.6719 13.3044 13.3172 14.5708 14.5742 14.6986 14.7011 k = 0.0801 0.0804-0.0000 ( 5109 PWs) bands (ev): -44.2081 -44.2081 -22.7430 -22.7430 -20.6279 -20.6245 -20.2379 -20.2341 -15.9140 -15.9138 -7.9519 -7.9502 -6.1275 -6.1267 -3.0304 -3.0296 -1.5634 -1.5539 0.0644 0.0791 1.7941 1.7967 5.8431 5.8815 5.9357 5.9778 7.9203 7.9220 8.6339 8.6345 8.7691 8.8203 9.0794 9.1300 10.1245 10.1360 10.3765 10.3863 11.6202 11.6206 11.7016 11.7061 13.3222 13.3357 14.5481 14.5529 14.6710 14.6725 k = 0.0890 0.0893-0.0000 ( 5119 PWs) bands (ev): -44.2081 -44.2081 -22.7429 -22.7429 -20.6292 -20.6255 -20.2393 -20.2351 -15.9123 -15.9121 -7.9358 -7.9340 -6.1271 -6.1260 -3.0558 -3.0548 -1.5650 -1.5545 0.0615 0.0777 1.7987 1.8016 5.8600 5.8972 5.9642 6.0055 7.8823 7.8842 8.5731 8.5733 8.7146 8.7657 9.0435 9.0939 10.1743 10.1840 10.4473 10.4554 11.6133 11.6134 11.7378 11.7430 13.3416 13.3556 14.5207 14.5269 14.6407 14.6413 k = 0.0979 0.0982-0.0000 ( 5119 PWs) bands (ev): -44.2080 -44.2080 -22.7429 -22.7428 -20.6306 -20.6265 -20.2408 -20.2363 -15.9105 -15.9103 -7.9182 -7.9161 -6.1266 -6.1253 -3.0835 -3.0823 -1.5667 -1.5552 0.0584 0.0760 1.8037 1.8068 5.8791 5.9149 5.9953 6.0357 7.8427 7.8448 8.5112 8.5114 8.6567 8.7071 9.0049 9.0547 10.2261 10.2341 10.5197 10.5261 11.6059 11.6063 11.7764 11.7822 13.3625 13.3766 14.4891 14.4969 14.6077 14.6080 k = 0.1068 0.1071-0.0000 ( 5123 PWs) bands (ev): -44.2080 -44.2080 -22.7428 -22.7427 -20.6321 -20.6277 -20.2425 -20.2376 -15.9085 -15.9083 -7.8990 -7.8967 -6.1261 -6.1246 -3.1135 -3.1121 -1.5684 -1.5560 0.0552 0.0740 1.8091 1.8125 5.9002 5.9346 6.0289 6.0683 7.8020 7.8043 8.4487 8.4492 8.5956 8.6449 8.9640 9.0125 10.2794 10.2857 10.5931 10.5978 11.5986 11.5994 11.8171 11.8232 13.3842 13.3982 14.4538 14.4633 14.5721 14.5733 k = 0.1157 0.1161-0.0000 ( 5131 PWs) bands (ev): -44.2079 -44.2079 -22.7427 -22.7426 -20.6337 -20.6290 -20.2442 -20.2390 -15.9064 -15.9062 -7.8783 -7.8756 -6.1256 -6.1237 -3.1458 -3.1441 -1.5702 -1.5569 0.0518 0.0718 1.8150 1.8186 5.9234 5.9564 6.0648 6.1034 7.7605 7.7630 8.3859 8.3868 8.5319 8.5796 8.9207 8.9677 10.3334 10.3381 10.6674 10.6702 11.5919 11.5931 11.8594 11.8658 13.4059 13.4194 14.4154 14.4266 14.5352 14.5372 k = 0.1246 0.1250-0.0000 ( 5127 PWs) bands (ev): -44.2079 -44.2079 -22.7426 -22.7425 -20.6353 -20.6304 -20.2461 -20.2405 -15.9041 -15.9039 -7.8560 -7.8531 -6.1250 -6.1228 -3.1801 -3.1782 -1.5720 -1.5579 0.0483 0.0695 1.8213 1.8251 5.9485 5.9801 6.1031 6.1408 7.7185 7.7212 8.3232 8.3245 8.4659 8.5117 8.8753 8.9205 10.3874 10.3905 10.7421 10.7431 11.5861 11.5878 11.9030 11.9096 13.4268 13.4395 14.3741 14.3870 14.4980 14.5005 k = 0.1335 0.1339-0.0000 ( 5131 PWs) bands (ev): -44.2078 -44.2078 -22.7425 -22.7424 -20.6371 -20.6319 -20.2480 -20.2421 -15.9017 -15.9015 -7.8322 -7.8290 -6.1244 -6.1218 -3.2165 -3.2143 -1.5739 -1.5589 0.0446 0.0669 1.8279 1.8319 5.9755 6.0057 6.1437 6.1805 7.6763 7.6791 8.2609 8.2624 8.3978 8.4417 8.8281 8.8713 10.4407 10.4422 10.8159 10.8170 11.5818 11.5842 11.9477 11.9544 13.4455 13.4570 14.3303 14.3447 14.4617 14.4644 k = 0.1424 0.1429-0.0000 ( 5127 PWs) bands (ev): -44.2078 -44.2078 -22.7423 -22.7423 -20.6389 -20.6334 -20.2500 -20.2438 -15.8992 -15.8990 -7.8070 -7.8034 -6.1237 -6.1207 -3.2548 -3.2523 -1.5757 -1.5600 0.0409 0.0642 1.8350 1.8391 6.0045 6.0333 6.1864 6.2223 7.6341 7.6371 8.1990 8.2008 8.3283 8.3699 8.7793 8.8205 10.4923 10.4923 10.8887 10.8919 11.5795 11.5827 11.9932 12.0000 13.4607 13.4706 14.2837 14.2994 14.4282 14.4303 k = 0.1513 0.1518-0.0000 ( 5135 PWs) bands (ev): -44.2077 -44.2077 -22.7422 -22.7422 -20.6408 -20.6351 -20.2521 -20.2456 -15.8966 -15.8964 -7.7803 -7.7764 -6.1231 -6.1195 -3.2950 -3.2921 -1.5776 -1.5612 0.0371 0.0613 1.8423 1.8467 6.0352 6.0627 6.2311 6.2662 7.5921 7.5952 8.1377 8.1398 8.2575 8.2968 8.7291 8.7682 10.5400 10.5415 10.9610 10.9666 11.5800 11.5843 12.0393 12.0462 13.4705 13.4784 14.2343 14.2505 14.3996 14.4004 k = 0.1602 0.1607-0.0000 ( 5135 PWs) bands (ev): -44.2076 -44.2076 -22.7421 -22.7420 -20.6427 -20.6368 -20.2542 -20.2475 -15.8939 -15.8937 -7.7523 -7.7480 -6.1224 -6.1183 -3.3368 -3.3336 -1.5794 -1.5624 0.0333 0.0582 1.8501 1.8545 6.0677 6.0939 6.2776 6.3121 7.5504 7.5537 8.0772 8.0795 8.1858 8.2229 8.6780 8.7150 10.5843 10.5872 11.0326 11.0408 11.5840 11.5896 12.0858 12.0927 13.4731 13.4786 14.1817 14.1980 14.3767 14.3780 k = 0.1691 0.1696-0.0000 ( 5131 PWs) bands (ev): -44.2076 -44.2075 -22.7420 -22.7419 -20.6447 -20.6386 -20.2564 -20.2494 -15.8911 -15.8909 -7.7230 -7.7182 -6.1217 -6.1169 -3.3804 -3.3767 -1.5812 -1.5636 0.0294 0.0551 1.8581 1.8627 6.1018 6.1268 6.3257 6.3596 7.5093 7.5127 8.0175 8.0201 8.1138 8.1484 8.6263 8.6612 10.6244 10.6285 11.1035 11.1145 11.5922 11.5995 12.1324 12.1393 13.4666 13.4698 14.1257 14.1415 14.3611 14.3650 k = 0.1780 0.1786-0.0000 ( 5127 PWs) bands (ev): -44.2075 -44.2075 -22.7418 -22.7418 -20.6468 -20.6404 -20.2586 -20.2515 -15.8882 -15.8880 -7.6923 -7.6871 -6.1210 -6.1155 -3.4254 -3.4214 -1.5830 -1.5649 0.0256 0.0518 1.8664 1.8711 6.1375 6.1613 6.3752 6.4086 7.4689 7.4723 7.9588 7.9616 8.0417 8.0739 8.5743 8.6071 10.6593 10.6644 11.1735 11.1874 11.6055 11.6148 12.1790 12.1859 13.4499 13.4506 14.0661 14.0812 14.3550 14.3617 k = 0.1869 0.1875-0.0000 ( 5127 PWs) bands (ev): -44.2074 -44.2074 -22.7417 -22.7416 -20.6488 -20.6423 -20.2609 -20.2536 -15.8852 -15.8850 -7.6604 -7.6547 -6.1202 -6.1140 -3.4719 -3.4674 -1.5847 -1.5661 0.0217 0.0484 1.8750 1.8797 6.1745 6.1973 6.4257 6.4587 7.4293 7.4328 7.9010 7.9040 7.9701 7.9999 8.5225 8.5533 10.6882 10.6941 11.2424 11.2593 11.6245 11.6361 12.2255 12.2322 13.4207 13.4222 14.0030 14.0174 14.3589 14.3680 k = 0.1958 0.1964-0.0000 ( 5127 PWs) bands (ev): -44.2073 -44.2073 -22.7415 -22.7415 -20.6509 -20.6443 -20.2633 -20.2557 -15.8822 -15.8819 -7.6273 -7.6211 -6.1195 -6.1125 -3.5197 -3.5148 -1.5863 -1.5673 0.0179 0.0450 1.8838 1.8886 6.2128 6.2345 6.4767 6.5095 7.3907 7.3941 7.8444 7.8474 7.8997 7.9269 8.4713 8.5002 10.7107 10.7171 11.3104 11.3303 11.6496 11.6638 12.2715 12.2782 13.3804 13.3837 13.9366 13.9503 14.3722 14.3834 k = 0.2047 0.2054-0.0000 ( 5123 PWs) bands (ev): -44.2072 -44.2072 -22.7414 -22.7413 -20.6531 -20.6463 -20.2656 -20.2579 -15.8791 -15.8789 -7.5930 -7.5863 -6.1187 -6.1108 -3.5688 -3.5633 -1.5878 -1.5685 0.0141 0.0415 1.8928 1.8977 6.2521 6.2728 6.5278 6.5604 7.3530 7.3564 7.7890 7.7919 7.8310 7.8555 8.4212 8.4482 10.7264 10.7331 11.3775 11.4003 11.6808 11.6977 12.3171 12.3236 13.3304 13.3352 13.8669 13.8800 14.3939 14.4067 k = 0.2136 0.2143-0.0000 ( 5119 PWs) bands (ev): -44.2072 -44.2072 -22.7412 -22.7412 -20.6552 -20.6483 -20.2680 -20.2602 -15.8760 -15.8757 -7.5577 -7.5503 -6.1180 -6.1091 -3.6190 -3.6130 -1.5892 -1.5696 0.0104 0.0380 1.9020 1.9070 6.2922 6.3119 6.5780 6.6108 7.3165 7.3197 7.7347 7.7374 7.7650 7.7867 8.3728 8.3980 10.7356 10.7423 11.4439 11.4691 11.7179 11.7373 12.3620 12.3683 13.2719 13.2778 13.7942 13.8068 14.4226 14.4364 k = 0.2225 0.2232-0.0000 ( 5121 PWs) bands (ev): -44.2071 -44.2071 -22.7411 -22.7410 -20.6574 -20.6504 -20.2704 -20.2624 -15.8728 -15.8725 -7.5213 -7.5132 -6.1172 -6.1072 -3.6702 -3.6636 -1.5905 -1.5707 0.0068 0.0345 1.9114 1.9163 6.3327 6.3515 6.6265 6.6594 7.2813 7.2841 7.6817 7.6837 7.7030 7.7214 8.3266 8.3500 10.7385 10.7450 11.5097 11.5370 11.7604 11.7819 12.4061 12.4123 13.2059 13.2128 13.7187 13.7309 14.4567 14.4711 k = 0.2314 0.2321-0.0000 ( 5137 PWs) bands (ev): -44.2070 -44.2070 -22.7409 -22.7409 -20.6596 -20.6525 -20.2727 -20.2648 -15.8696 -15.8694 -7.4839 -7.4752 -6.1164 -6.1053 -3.7223 -3.7152 -1.5917 -1.5718 0.0033 0.0310 1.9209 1.9258 6.3733 6.3912 6.6717 6.7051 7.2473 7.2497 7.6301 7.6310 7.6462 7.6611 8.2832 8.3051 10.7357 10.7420 11.5750 11.6039 11.8072 11.8306 12.4492 12.4552 13.1337 13.1412 13.6404 13.6523 14.4947 14.5093 k = 0.2404 0.2411-0.0000 ( 5133 PWs) bands (ev): -44.2069 -44.2069 -22.7408 -22.7407 -20.6617 -20.6546 -20.2751 -20.2671 -15.8664 -15.8661 -7.4456 -7.4361 -6.1157 -6.1033 -3.7753 -3.7675 -1.5928 -1.5728 -0.0001 0.0276 1.9305 1.9354 6.4135 6.4306 6.7120 6.7459 7.2147 7.2165 7.5799 7.5808 7.5950 7.6076 8.2436 8.2639 10.7279 10.7339 11.6401 11.6699 11.8576 11.8824 12.4914 12.4972 13.0560 13.0641 13.5596 13.5712 14.5354 14.5500 k = 0.2493 0.2500-0.0000 ( 5133 PWs) bands (ev): -44.2068 -44.2068 -22.7406 -22.7406 -20.6639 -20.6568 -20.2775 -20.2694 -15.8632 -15.8629 -7.4064 -7.3961 -6.1150 -6.1013 -3.8289 -3.8206 -1.5937 -1.5736 -0.0033 0.0242 1.9402 1.9451 6.4527 6.4690 6.7450 6.7795 7.1834 7.1846 7.5312 7.5338 7.5511 7.5631 8.2085 8.2273 10.7158 10.7214 11.7048 11.7352 11.9106 11.9364 12.5323 12.5379 12.9738 12.9822 13.4763 13.4877 14.5776 14.5919 k = 0.2582 0.2589-0.0000 ( 5135 PWs) bands (ev): -44.2068 -44.2068 -22.7405 -22.7404 -20.6660 -20.6589 -20.2799 -20.2718 -15.8600 -15.8597 -7.3664 -7.3552 -6.1142 -6.0991 -3.8832 -3.8742 -1.5944 -1.5744 -0.0063 0.0209 1.9499 1.9548 6.4902 6.5057 6.7685 6.8033 7.1534 7.1539 7.4838 7.4881 7.5188 7.5304 8.1788 8.1962 10.7001 10.7054 11.7691 11.7997 11.9654 11.9917 12.5719 12.5772 12.8877 12.8965 13.3908 13.4020 14.6203 14.6342 k = 0.2671 0.2679-0.0000 ( 5121 PWs) bands (ev): -44.2067 -44.2067 -22.7403 -22.7402 -20.6682 -20.6611 -20.2822 -20.2742 -15.8568 -15.8565 -7.3257 -7.3136 -6.1135 -6.0969 -3.9380 -3.9283 -1.5950 -1.5751 -0.0092 0.0177 1.9596 1.9645 6.5250 6.5396 6.7807 6.8152 7.1246 7.1246 7.4378 7.4430 7.5011 7.5119 8.1558 8.1717 10.6814 10.6863 11.8330 11.8634 12.0211 12.0477 12.6097 12.6146 12.7986 12.8080 13.3030 13.3141 14.6626 14.6759 k = 0.2760 0.2768-0.0000 ( 5121 PWs) bands (ev): -44.2066 -44.2066 -22.7402 -22.7401 -20.6702 -20.6632 -20.2845 -20.2765 -15.8536 -15.8534 -7.2843 -7.2712 -6.1129 -6.0945 -3.9933 -3.9829 -1.5954 -1.5758 -0.0119 0.0146 1.9694 1.9741 6.5557 6.5691 6.7813 6.8145 7.0966 7.0967 7.3933 7.3990 7.4986 7.5085 8.1405 8.1550 10.6603 10.6649 11.8962 11.9264 12.0772 12.1039 12.6427 12.6467 12.7101 12.7204 13.2132 13.2243 14.7037 14.7164 k = 0.2849 0.2857-0.0000 ( 5119 PWs) bands (ev): -44.2065 -44.2065 -22.7400 -22.7399 -20.6723 -20.6653 -20.2867 -20.2788 -15.8505 -15.8502 -7.2423 -7.2282 -6.1122 -6.0921 -4.0488 -4.0377 -1.5957 -1.5763 -0.0144 0.0116 1.9790 1.9837 6.5803 6.5918 6.7725 6.8029 7.0695 7.0701 7.3502 7.3563 7.5104 7.5194 8.1341 8.1471 10.6372 10.6415 11.9587 11.9884 12.1332 12.1598 12.6034 12.6111 12.6899 12.6967 13.1215 13.1325 14.7429 14.7549 k = 0.2938 0.2946-0.0000 ( 5119 PWs) bands (ev): -44.2064 -44.2064 -22.7399 -22.7398 -20.6743 -20.6674 -20.2889 -20.2812 -15.8474 -15.8472 -7.1999 -7.1846 -6.1116 -6.0897 -4.1045 -4.0927 -1.5958 -1.5767 -0.0166 0.0088 1.9886 1.9932 6.5958 6.6038 6.7595 6.7850 7.0435 7.0449 7.3088 7.3152 7.5340 7.5422 8.1377 8.1491 10.6127 10.6167 12.0202 12.0494 12.1885 12.2150 12.5088 12.5177 12.7214 12.7270 13.0279 13.0390 14.7797 14.7908 k = 0.3027 0.3036-0.0000 ( 5131 PWs) bands (ev): -44.2063 -44.2063 -22.7397 -22.7396 -20.6763 -20.6695 -20.2911 -20.2834 -15.8444 -15.8441 -7.1570 -7.1405 -6.1110 -6.0871 -4.1604 -4.1478 -1.5958 -1.5770 -0.0187 0.0061 1.9981 2.0026 6.5978 6.6002 6.7493 6.7675 7.0185 7.0210 7.2688 7.2755 7.5667 7.5741 8.1520 8.1618 10.5870 10.5907 12.0806 12.1093 12.2429 12.2692 12.4101 12.4196 12.7536 12.7589 12.9327 12.9439 14.8133 14.8236 k = 0.3116 0.3125-0.0000 ( 5145 PWs) bands (ev): -44.2063 -44.2063 -22.7396 -22.7395 -20.6782 -20.6715 -20.2932 -20.2857 -15.8414 -15.8412 -7.1138 -7.0961 -6.1104 -6.0845 -4.2162 -4.2029 -1.5956 -1.5772 -0.0205 0.0035 2.0075 2.0118 6.5792 6.5829 6.7454 6.7558 6.9949 6.9984 7.2305 7.2375 7.6060 7.6125 8.1776 8.1855 10.5605 10.5640 12.1397 12.1677 12.2941 12.3095 12.3215 12.3222 12.7839 12.7897 12.8361 12.8481 14.8433 14.8528 k = 0.3205 0.3214-0.0000 ( 5139 PWs) bands (ev): -44.2062 -44.2062 -22.7394 -22.7394 -20.6800 -20.6735 -20.2952 -20.2879 -15.8385 -15.8383 -7.0704 -7.0513 -6.1099 -6.0818 -4.2719 -4.2578 -1.5952 -1.5773 -0.0222 0.0011 2.0166 2.0208 6.5450 6.5527 6.7456 6.7504 6.9726 6.9771 7.1937 7.2010 7.6503 7.6556 8.2141 8.2203 10.5335 10.5368 12.1967 12.2082 12.2151 12.2265 12.3489 12.3737 12.7375 12.7472 12.8165 12.8198 14.8694 14.8780 k = 0.3294 0.3304-0.0000 ( 5143 PWs) bands (ev): -44.2061 -44.2061 -22.7393 -22.7392 -20.6818 -20.6755 -20.2972 -20.2901 -15.8357 -15.8355 -7.0269 -7.0063 -6.1094 -6.0790 -4.3273 -4.3125 -1.5947 -1.5774 -0.0236 -0.0011 2.0256 2.0297 6.5030 6.5126 6.7459 6.7475 6.9517 6.9571 7.1586 7.1662 7.6984 7.7026 8.2609 8.2654 10.5063 10.5093 12.1045 12.1143 12.2534 12.2804 12.3990 12.4236 12.6381 12.6487 12.8441 12.8479 14.8912 14.8990 k = 0.3383 0.3393-0.0000 ( 5149 PWs) bands (ev): -44.2060 -44.2060 -22.7391 -22.7391 -20.6835 -20.6774 -20.2991 -20.2922 -15.8330 -15.8327 -6.9833 -6.9612 -6.1089 -6.0761 -4.3824 -4.3669 -1.5941 -1.5773 -0.0248 -0.0032 2.0344 2.0383 6.4572 6.4672 6.7440 6.7440 6.9321 6.9383 7.1251 7.1330 7.7500 7.7530 8.3170 8.3198 10.4791 10.4819 12.0010 12.0112 12.3075 12.3340 12.4474 12.4716 12.5377 12.5485 12.8709 12.8745 14.9087 14.9156 k = 0.3472 0.3482-0.0000 ( 5137 PWs) bands (ev): -44.2060 -44.2060 -22.7390 -22.7390 -20.6852 -20.6793 -20.3009 -20.2942 -15.8303 -15.8301 -6.9399 -6.9162 -6.1085 -6.0732 -4.4369 -4.4207 -1.5934 -1.5772 -0.0258 -0.0051 2.0429 2.0466 6.4097 6.4194 6.7384 6.7391 6.9140 6.9208 7.0933 7.1015 7.8047 7.8067 8.3811 8.3823 10.4522 10.4548 11.8972 11.9078 12.3593 12.3856 12.4360 12.4477 12.4942 12.5179 12.8962 12.8997 14.9217 14.9277 k = 0.3561 0.3571-0.0000 ( 5139 PWs) bands (ev): -44.2059 -44.2059 -22.7389 -22.7388 -20.6867 -20.6810 -20.3026 -20.2962 -15.8278 -15.8276 -6.8968 -6.8714 -6.1080 -6.0702 -4.4908 -4.4738 -1.5926 -1.5771 -0.0266 -0.0069 2.0510 2.0546 6.3619 6.3710 6.7302 6.7312 6.8971 6.9045 7.0631 7.0716 7.8624 7.8634 8.4516 8.4518 10.4257 10.4281 11.7934 11.8044 12.3339 12.3436 12.4116 12.4353 12.5386 12.5619 12.9200 12.9234 14.9304 14.9357 k = 0.3650 0.3661-0.0000 ( 5137 PWs) bands (ev): -44.2058 -44.2058 -22.7388 -22.7387 -20.6882 -20.6828 -20.3042 -20.2981 -15.8254 -15.8252 -6.8541 -6.8269 -6.1075 -6.0672 -4.5438 -4.5262 -1.5916 -1.5769 -0.0272 -0.0085 2.0589 2.0623 6.3147 6.3231 6.7196 6.7207 6.8815 6.8893 7.0346 7.0434 7.9227 7.9229 8.5265 8.5279 10.3998 10.4020 11.6900 11.7014 12.2312 12.2419 12.4588 12.4826 12.5810 12.6038 12.9424 12.9456 14.9351 14.9397 k = 0.3739 0.3750-0.0000 ( 5141 PWs) bands (ev): -44.2058 -44.2058 -22.7387 -22.7386 -20.6896 -20.6844 -20.3057 -20.2999 -15.8231 -15.8229 -6.8119 -6.7830 -6.1070 -6.0641 -4.5958 -4.5776 -1.5906 -1.5766 -0.0276 -0.0100 2.0664 2.0696 6.2687 6.2764 6.7070 6.7080 6.8672 6.8754 7.0078 7.0169 7.9849 7.9854 8.6058 8.6083 10.3747 10.3768 11.5874 11.5992 12.1284 12.1393 12.5044 12.5276 12.6211 12.6433 12.9632 12.9662 14.9361 14.9400 k = 0.3828 0.3839-0.0000 ( 5137 PWs) bands (ev): -44.2057 -44.2057 -22.7386 -22.7385 -20.6908 -20.6860 -20.3071 -20.3016 -15.8209 -15.8207 -6.7706 -6.7399 -6.1063 -6.0610 -4.6465 -4.6279 -1.5895 -1.5763 -0.0278 -0.0113 2.0736 2.0766 6.2245 6.2314 6.6930 6.6938 6.8541 6.8627 6.9827 6.9920 8.0489 8.0501 8.6885 8.6920 10.3506 10.3525 11.4860 11.4983 12.0255 12.0367 12.5476 12.5701 12.6589 12.6805 12.9826 12.9853 14.9340 14.9373 k = 0.3917 0.3929-0.0000 ( 5149 PWs) bands (ev): -44.2057 -44.2057 -22.7384 -22.7384 -20.6920 -20.6875 -20.3085 -20.3033 -15.8189 -15.8187 -6.7302 -6.6978 -6.1056 -6.0580 -4.6957 -4.6768 -1.5884 -1.5760 -0.0279 -0.0126 2.0803 2.0831 6.1824 6.1886 6.6780 6.6786 6.8423 6.8512 6.9592 6.9689 8.1144 8.1161 8.7737 8.7781 10.3277 10.3294 11.3863 11.3990 11.9231 11.9344 12.5882 12.6099 12.6943 12.7152 13.0004 13.0030 14.9293 14.9321 k = 0.4006 0.4018-0.0000 ( 5155 PWs) bands (ev): -44.2056 -44.2056 -22.7384 -22.7383 -20.6931 -20.6889 -20.3097 -20.3049 -15.8170 -15.8168 -6.6910 -6.6570 -6.1046 -6.0550 -4.7433 -4.7241 -1.5872 -1.5758 -0.0279 -0.0137 2.0867 2.0892 6.1427 6.1483 6.6626 6.6630 6.8316 6.8409 6.9375 6.9474 8.1808 8.1829 8.8605 8.8657 10.3059 10.3075 11.2887 11.3020 11.8215 11.8330 12.6262 12.6470 12.7272 12.7473 13.0168 13.0192 14.9225 14.9249 k = 0.4095 0.4107-0.0000 ( 5151 PWs) bands (ev): -44.2056 -44.2056 -22.7383 -22.7382 -20.6941 -20.6902 -20.3107 -20.3063 -15.8152 -15.8151 -6.6532 -6.6179 -6.1034 -6.0521 -4.7887 -4.7695 -1.5860 -1.5755 -0.0277 -0.0147 2.0926 2.0949 6.1058 6.1107 6.6471 6.6474 6.8222 6.8317 6.9175 6.9276 8.2474 8.2498 8.9480 8.9539 10.2856 10.2870 11.1939 11.2079 11.7213 11.7330 12.6614 12.6812 12.7576 12.7767 13.0317 13.0339 14.9142 14.9162 k = 0.4184 0.4196-0.0000 ( 5151 PWs) bands (ev): -44.2055 -44.2055 -22.7382 -22.7382 -20.6950 -20.6915 -20.3117 -20.3077 -15.8136 -15.8135 -6.6171 -6.5809 -6.1017 -6.0495 -4.8318 -4.8128 -1.5849 -1.5753 -0.0275 -0.0157 2.0980 2.1001 6.0717 6.0760 6.6321 6.6322 6.8139 6.8236 6.8992 6.9095 8.3134 8.3160 9.0353 9.0418 10.2669 10.2680 11.1027 11.1172 11.6230 11.6348 12.6938 12.7124 12.7854 12.8034 13.0452 13.0472 14.9051 14.9067 k = 0.4273 0.4286-0.0000 ( 5151 PWs) bands (ev): -44.2055 -44.2055 -22.7381 -22.7381 -20.6958 -20.6926 -20.3126 -20.3089 -15.8122 -15.8120 -6.5830 -6.5464 -6.0996 -6.0471 -4.8721 -4.8536 -1.5837 -1.5751 -0.0271 -0.0165 2.1029 2.1048 6.0408 6.0445 6.6178 6.6178 6.8067 6.8166 6.8827 6.8931 8.3779 8.3807 9.1214 9.1285 10.2497 10.2507 11.0158 11.0309 11.5275 11.5394 12.7232 12.7405 12.8105 12.8274 13.0572 13.0590 14.8955 14.8968 k = 0.4362 0.4375-0.0000 ( 5152 PWs) bands (ev): -44.2055 -44.2055 -22.7380 -22.7380 -20.6965 -20.6936 -20.3133 -20.3101 -15.8109 -15.8108 -6.5512 -6.5149 -6.0969 -6.0452 -4.9093 -4.8915 -1.5826 -1.5749 -0.0267 -0.0174 2.1073 2.1090 6.0130 6.0162 6.6045 6.6046 6.8007 6.8106 6.8679 6.8783 8.4399 8.4427 9.2052 9.2128 10.2343 10.2351 10.9343 10.9498 11.4357 11.4476 12.7496 12.7654 12.8331 12.8485 13.0679 13.0695 14.8860 14.8870 k = 0.4451 0.4464-0.0000 ( 5156 PWs) bands (ev): -44.2054 -44.2054 -22.7380 -22.7380 -20.6970 -20.6946 -20.3139 -20.3111 -15.8097 -15.8096 -6.5220 -6.4870 -6.0934 -6.0440 -4.9427 -4.9262 -1.5815 -1.5749 -0.0262 -0.0181 2.1112 2.1126 5.9887 5.9914 6.5924 6.5926 6.7957 6.8056 6.8549 6.8652 8.4983 8.5010 9.2853 9.2932 10.2207 10.2213 10.8592 10.8749 11.3489 11.3607 12.7729 12.7870 12.8529 12.8668 13.0771 13.0785 14.8769 14.8777 k = 0.4540 0.4554-0.0000 ( 5156 PWs) bands (ev): -44.2054 -44.2054 -22.7379 -22.7379 -20.6975 -20.6954 -20.3144 -20.3121 -15.8087 -15.8087 -6.4956 -6.4631 -6.0890 -6.0435 -4.9721 -4.9572 -1.5804 -1.5749 -0.0256 -0.0189 2.1145 2.1158 5.9678 5.9700 6.5819 6.5820 6.7919 6.8014 6.8438 6.8537 8.5517 8.5543 9.3601 9.3680 10.2090 10.2095 10.7919 10.8075 11.2689 11.2801 12.7930 12.8053 12.8701 12.8821 13.0850 13.0861 14.8686 14.8693 k = 0.4629 0.4643-0.0000 ( 5156 PWs) bands (ev): -44.2054 -44.2054 -22.7379 -22.7379 -20.6978 -20.6961 -20.3148 -20.3129 -15.8079 -15.8079 -6.4724 -6.4437 -6.0839 -6.0439 -4.9968 -4.9840 -1.5795 -1.5750 -0.0250 -0.0196 2.1173 2.1183 5.9505 5.9523 6.5730 6.5732 6.7892 6.7980 6.8347 6.8439 8.5988 8.6012 9.4275 9.4351 10.1993 10.1996 10.7340 10.7487 11.1975 11.2079 12.8099 12.8201 12.8845 12.8946 13.0914 13.0924 14.8614 14.8619 k = 0.4718 0.4732-0.0000 ( 5150 PWs) bands (ev): -44.2054 -44.2054 -22.7379 -22.7379 -20.6980 -20.6967 -20.3150 -20.3135 -15.8073 -15.8072 -6.4528 -6.4293 -6.0781 -6.0455 -5.0164 -5.0061 -1.5786 -1.5751 -0.0244 -0.0203 2.1196 2.1203 5.9369 5.9382 6.5659 6.5660 6.7875 6.7951 6.8278 6.8356 8.6381 8.6401 9.4853 9.4921 10.1916 10.1917 10.6869 10.6998 11.1373 11.1463 12.8236 12.8315 12.8962 12.9041 13.0965 13.0973 14.8555 14.8558 k = 0.4807 0.4821-0.0000 ( 5154 PWs) bands (ev): -44.2054 -44.2054 -22.7378 -22.7378 -20.6981 -20.6972 -20.3151 -20.3141 -15.8068 -15.8068 -6.4370 -6.4200 -6.0718 -6.0483 -5.0304 -5.0232 -1.5778 -1.5754 -0.0238 -0.0209 2.1212 2.1217 5.9270 5.9279 6.5607 6.5608 6.7868 6.7927 6.8231 6.8291 8.6682 8.6697 9.5308 9.5360 10.1860 10.1860 10.6521 10.6621 11.0910 11.0978 12.8339 12.8395 12.9051 12.9106 13.1003 13.1008 14.8511 14.8513 k = 0.4896 0.4911-0.0000 ( 5166 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6981 -20.6976 -20.3151 -20.3145 -15.8065 -15.8065 -6.4253 -6.4158 -6.0653 -6.0523 -5.0387 -5.0347 -1.5771 -1.5758 -0.0231 -0.0216 2.1223 2.1226 5.9209 5.9213 6.5574 6.5574 6.7871 6.7905 6.8208 6.8243 8.6879 8.6887 9.5614 9.5645 10.1824 10.1824 10.6309 10.6368 11.0613 11.0652 12.8409 12.8439 12.9112 12.9142 13.1027 13.1029 14.8482 14.8484 k = 0.4985 0.5000-0.0000 ( 5168 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6980 -20.6979 -20.3149 -20.3149 -15.8064 -15.8064 -6.4181 -6.4167 -6.0593 -6.0573 -5.0410 -5.0404 -1.5765 -1.5763 -0.0225 -0.0223 2.1228 2.1229 5.9185 5.9186 6.5561 6.5561 6.7882 6.7887 6.8209 6.8214 8.6961 8.6962 9.5749 9.5753 10.1810 10.1810 10.6240 10.6249 11.0501 11.0507 12.8445 12.8449 12.9144 12.9148 13.1037 13.1037 14.8471 14.8472 k = 0.4985 0.5000-0.0000 ( 5168 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6980 -20.6979 -20.3149 -20.3149 -15.8064 -15.8064 -6.4181 -6.4167 -6.0593 -6.0573 -5.0410 -5.0404 -1.5765 -1.5763 -0.0225 -0.0223 2.1228 2.1229 5.9185 5.9186 6.5561 6.5561 6.7882 6.7887 6.8209 6.8214 8.6961 8.6962 9.5749 9.5753 10.1810 10.1810 10.6240 10.6249 11.0501 11.0507 12.8445 12.8449 12.9144 12.9148 13.1037 13.1037 14.8471 14.8472 k = 0.4860 0.5000-0.0000 ( 5166 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6981 -20.6977 -20.3150 -20.3146 -15.8065 -15.8065 -6.4239 -6.4169 -6.0635 -6.0538 -5.0386 -5.0356 -1.5769 -1.5760 -0.0229 -0.0218 2.1224 2.1226 5.9206 5.9210 6.5574 6.5574 6.7877 6.7903 6.8209 6.8236 8.6885 8.6891 9.5631 9.5654 10.1823 10.1823 10.6306 10.6350 11.0608 11.0637 12.8416 12.8438 12.9117 12.9139 13.1028 13.1030 14.8482 14.8483 k = 0.4736 0.5000-0.0000 ( 5166 PWs) bands (ev): -44.2054 -44.2054 -22.7378 -22.7378 -20.6980 -20.6974 -20.3150 -20.3143 -15.8068 -15.8068 -6.4343 -6.4221 -6.0679 -6.0510 -5.0303 -5.0251 -1.5774 -1.5757 -0.0234 -0.0213 2.1214 2.1218 5.9263 5.9269 6.5609 6.5609 6.7878 6.7921 6.8234 6.8278 8.6687 8.6697 9.5365 9.5403 10.1857 10.1857 10.6485 10.6557 11.0912 11.0961 12.8349 12.8389 12.9066 12.9105 13.1005 13.1008 14.8509 14.8511 k = 0.4611 0.5000-0.0000 ( 5156 PWs) bands (ev): -44.2054 -44.2054 -22.7379 -22.7379 -20.6979 -20.6969 -20.3148 -20.3138 -15.8072 -15.8072 -6.4489 -6.4322 -6.0725 -6.0492 -5.0164 -5.0091 -1.5781 -1.5756 -0.0238 -0.0209 2.1198 2.1204 5.9353 5.9362 6.5667 6.5668 6.7873 6.7924 6.8298 6.8352 8.6359 8.6372 9.5008 9.5056 10.1911 10.1912 10.6723 10.6813 11.1421 11.1482 12.8236 12.8289 12.9004 12.9056 13.0968 13.0973 14.8553 14.8555 k = 0.4487 0.5000-0.0000 ( 5159 PWs) bands (ev): -44.2054 -44.2054 -22.7379 -22.7379 -20.6976 -20.6964 -20.3145 -20.3132 -15.8079 -15.8078 -6.4672 -6.4467 -6.0774 -6.0489 -4.9969 -4.9879 -1.5788 -1.5756 -0.0242 -0.0204 2.1177 2.1184 5.9473 5.9484 6.5752 6.5754 6.7853 6.7905 6.8413 6.8467 8.5893 8.5909 9.4622 9.4676 10.1986 10.1988 10.6973 10.7070 11.2129 11.2194 12.8063 12.8124 12.8946 12.9005 13.0918 13.0924 14.8612 14.8615 k = 0.4362 0.5000-0.0000 ( 5160 PWs) bands (ev): -44.2054 -44.2054 -22.7379 -22.7379 -20.6972 -20.6958 -20.3141 -20.3125 -15.8086 -15.8086 -6.4886 -6.4653 -6.0826 -6.0500 -4.9724 -4.9618 -1.5795 -1.5757 -0.0245 -0.0199 2.1151 2.1159 5.9618 5.9631 6.5866 6.5869 6.7817 6.7864 6.8575 6.8625 8.5287 8.5303 9.4259 9.4316 10.2080 10.2083 10.7206 10.7303 11.3011 11.3075 12.7824 12.7886 12.8900 12.8961 13.0853 13.0862 14.8685 14.8690 k = 0.4237 0.5000-0.0000 ( 5157 PWs) bands (ev): -44.2054 -44.2054 -22.7380 -22.7380 -20.6967 -20.6950 -20.3136 -20.3116 -15.8096 -15.8095 -6.5125 -6.4873 -6.0883 -6.0529 -4.9431 -4.9314 -1.5803 -1.5758 -0.0248 -0.0194 2.1120 2.1129 5.9782 5.9797 6.6015 6.6018 6.7766 6.7807 6.8780 6.8825 8.4544 8.4559 9.3954 9.4009 10.2193 10.2197 10.7417 10.7508 11.4031 11.4091 12.7517 12.7576 12.8868 12.8925 13.0775 13.0785 14.8771 14.8777 k = 0.4113 0.5000-0.0000 ( 5160 PWs) bands (ev): -44.2055 -44.2055 -22.7380 -22.7380 -20.6962 -20.6942 -20.3129 -20.3107 -15.8106 -15.8106 -6.5386 -6.5122 -6.0947 -6.0574 -4.9095 -4.8970 -1.5811 -1.5760 -0.0250 -0.0189 2.1084 2.1095 5.9958 5.9974 6.6202 6.6207 6.7701 6.7738 6.9025 6.9065 8.3680 8.3693 9.3720 9.3772 10.2324 10.2329 10.7609 10.7692 11.5154 11.5208 12.7145 12.7199 12.8845 12.8897 13.0683 13.0694 14.8868 14.8875 k = 0.3988 0.5000-0.0000 ( 5160 PWs) bands (ev): -44.2055 -44.2055 -22.7381 -22.7381 -20.6955 -20.6933 -20.3122 -20.3097 -15.8119 -15.8118 -6.5664 -6.5392 -6.1019 -6.0636 -4.8720 -4.8590 -1.5819 -1.5763 -0.0250 -0.0183 2.1043 2.1055 6.0139 6.0156 6.6433 6.6438 6.7625 6.7658 6.9309 6.9345 8.2714 8.2725 9.3558 9.3606 10.2472 10.2478 10.7787 10.7863 11.6350 11.6399 12.6710 12.6760 12.8828 12.8875 13.0577 13.0589 14.8972 14.8981 k = 0.3863 0.5000-0.0000 ( 5153 PWs) bands (ev): -44.2055 -44.2055 -22.7382 -22.7381 -20.6947 -20.6923 -20.3113 -20.3085 -15.8132 -15.8131 -6.5955 -6.5681 -6.1101 -6.0714 -4.8311 -4.8178 -1.5827 -1.5765 -0.0250 -0.0176 2.0999 2.1012 6.0317 6.0334 6.6711 6.6717 6.7538 6.7569 6.9629 6.9662 8.1670 8.1678 9.3462 9.3507 10.2636 10.2644 10.7958 10.8026 11.7596 11.7639 12.6218 12.6263 12.8814 12.8856 13.0457 13.0470 14.9083 14.9094 k = 0.3739 0.5000-0.0000 ( 5152 PWs) bands (ev): -44.2056 -44.2056 -22.7382 -22.7382 -20.6939 -20.6913 -20.3103 -20.3073 -15.8147 -15.8146 -6.6255 -6.5982 -6.1193 -6.0808 -4.7872 -4.7739 -1.5834 -1.5768 -0.0247 -0.0168 2.0951 2.0965 6.0485 6.0502 6.7040 6.7043 6.7442 6.7476 6.9985 7.0016 8.0570 8.0576 9.3424 9.3464 10.2815 10.2823 10.8127 10.8187 11.8872 11.8912 12.5670 12.5712 12.8802 12.8841 13.0322 13.0336 14.9196 14.9209 k = 0.3614 0.5000-0.0000 ( 5153 PWs) bands (ev): -44.2056 -44.2056 -22.7383 -22.7383 -20.6930 -20.6902 -20.3092 -20.3060 -15.8163 -15.8162 -6.6561 -6.6291 -6.1295 -6.0915 -4.7409 -4.7276 -1.5840 -1.5771 -0.0243 -0.0159 2.0899 2.0914 6.0637 6.0654 6.7317 6.7333 6.7424 6.7476 7.0376 7.0405 7.9437 7.9441 9.3433 9.3469 10.3007 10.3017 10.8295 10.8349 12.0166 12.0202 12.5071 12.5110 12.8792 12.8826 13.0173 13.0188 14.9308 14.9324 k = 0.3490 0.5000-0.0000 ( 5153 PWs) bands (ev): -44.2057 -44.2057 -22.7384 -22.7384 -20.6920 -20.6890 -20.3079 -20.3046 -15.8180 -15.8179 -6.6871 -6.6607 -6.1406 -6.1036 -4.6923 -4.6793 -1.5846 -1.5773 -0.0237 -0.0149 2.0845 2.0861 6.0770 6.0786 6.7226 6.7237 6.7842 6.7868 7.0802 7.0830 7.8293 7.8294 9.3481 9.3513 10.3211 10.3222 10.8465 10.8513 12.1466 12.1499 12.4422 12.4459 12.8781 12.8813 13.0009 13.0025 14.9417 14.9435 k = 0.3365 0.5000-0.0000 ( 5145 PWs) bands (ev): -44.2057 -44.2057 -22.7385 -22.7385 -20.6909 -20.6878 -20.3066 -20.3031 -15.8199 -15.8197 -6.7182 -6.6924 -6.1527 -6.1168 -4.6420 -4.6293 -1.5851 -1.5775 -0.0228 -0.0137 2.0788 2.0805 6.0882 6.0896 6.7110 6.7123 6.8297 6.8322 7.1262 7.1288 7.7162 7.7162 9.3561 9.3590 10.3425 10.3438 10.8638 10.8681 12.2763 12.2792 12.3730 12.3763 12.8769 12.8798 12.9831 12.9848 14.9518 14.9539 k = 0.3240 0.5000-0.0000 ( 5141 PWs) bands (ev): -44.2058 -44.2058 -22.7386 -22.7386 -20.6898 -20.6865 -20.3052 -20.3015 -15.8218 -15.8216 -6.7492 -6.7242 -6.1656 -6.1309 -4.5903 -4.5780 -1.5854 -1.5776 -0.0218 -0.0124 2.0730 2.0746 6.0971 6.0984 6.6989 6.7002 6.8758 6.8784 7.1753 7.1779 7.6076 7.6078 9.3667 9.3693 10.3648 10.3663 10.8814 10.8853 12.2986 12.3023 12.4051 12.4084 12.8754 12.8781 12.9640 12.9658 14.9609 14.9633 k = 0.3116 0.5000-0.0000 ( 5136 PWs) bands (ev): -44.2058 -44.2058 -22.7387 -22.7387 -20.6887 -20.6853 -20.3037 -20.2999 -15.8237 -15.8236 -6.7800 -6.7558 -6.1793 -6.1460 -4.5375 -4.5256 -1.5856 -1.5777 -0.0204 -0.0109 2.0669 2.0687 6.1039 6.1051 6.6865 6.6876 6.9175 6.9202 7.2275 7.2301 7.5093 7.5098 9.3795 9.3819 10.3879 10.3895 10.8994 10.9029 12.2210 12.2244 12.5320 12.5351 12.8734 12.8759 12.9440 12.9458 14.9687 14.9714 k = 0.2991 0.5000-0.0000 ( 5134 PWs) bands (ev): -44.2059 -44.2059 -22.7388 -22.7388 -20.6875 -20.6840 -20.3022 -20.2982 -15.8258 -15.8257 -6.8103 -6.7870 -6.1936 -6.1618 -4.4839 -4.4725 -1.5857 -1.5777 -0.0189 -0.0092 2.0608 2.0625 6.1088 6.1099 6.6737 6.6747 6.9448 6.9473 7.2823 7.2849 7.4320 7.4329 9.3941 9.3962 10.4116 10.4133 10.9178 10.9208 12.1395 12.1429 12.6567 12.6596 12.8702 12.8722 12.9238 12.9255 14.9750 14.9781 k = 0.2866 0.5000-0.0000 ( 5130 PWs) bands (ev): -44.2059 -44.2059 -22.7389 -22.7389 -20.6863 -20.6827 -20.3005 -20.2965 -15.8279 -15.8277 -6.8400 -6.8177 -6.2084 -6.1781 -4.4297 -4.4189 -1.5857 -1.5776 -0.0171 -0.0074 2.0546 2.0563 6.1119 6.1129 6.6607 6.6617 6.9417 6.9438 7.3373 7.3398 7.3940 7.3956 9.4101 9.4120 10.4356 10.4375 10.9365 10.9391 12.0546 12.0579 12.7781 12.7811 12.8639 12.8650 12.9058 12.9069 14.9797 14.9831 k = 0.2742 0.5000-0.0000 ( 5121 PWs) bands (ev): -44.2060 -44.2060 -22.7390 -22.7390 -20.6850 -20.6814 -20.2988 -20.2947 -15.8300 -15.8299 -6.8691 -6.8477 -6.2238 -6.1949 -4.3754 -4.3652 -1.5854 -1.5774 -0.0150 -0.0053 2.0484 2.0501 6.1135 6.1144 6.6477 6.6485 6.8983 6.8999 7.3813 7.3813 7.4186 7.4187 9.4272 9.4289 10.4598 10.4620 10.9554 10.9577 11.9665 11.9698 12.8482 12.8488 12.8918 12.8921 12.9005 12.9026 14.9828 14.9865 k = 0.2617 0.5000-0.0000 ( 5123 PWs) bands (ev): -44.2060 -44.2060 -22.7391 -22.7391 -20.6838 -20.6801 -20.2971 -20.2929 -15.8322 -15.8320 -6.8974 -6.8769 -6.2394 -6.2121 -4.3211 -4.3114 -1.5851 -1.5771 -0.0127 -0.0031 2.0421 2.0438 6.1139 6.1146 6.6346 6.6354 6.8238 6.8251 7.4267 7.4282 7.4783 7.4794 9.4451 9.4467 10.4841 10.4864 10.9745 10.9766 11.8756 11.8789 12.8267 12.8273 12.8869 12.8876 13.0125 13.0153 14.9843 14.9883 k = 0.2493 0.5000-0.0000 ( 5124 PWs) bands (ev): -44.2061 -44.2061 -22.7392 -22.7392 -20.6825 -20.6788 -20.2953 -20.2911 -15.8343 -15.8342 -6.9248 -6.9053 -6.2552 -6.2294 -4.2672 -4.2580 -1.5846 -1.5768 -0.0102 -0.0008 2.0359 2.0376 6.1131 6.1137 6.6215 6.6223 6.7332 6.7343 7.4892 7.4911 7.5462 7.5475 9.4636 9.4651 10.5082 10.5108 10.9937 10.9955 11.7822 11.7856 12.7996 12.8007 12.8836 12.8846 13.1227 13.1255 14.9845 14.9887 k = 0.2368 0.5000-0.0000 ( 5124 PWs) bands (ev): -44.2061 -44.2061 -22.7393 -22.7393 -20.6812 -20.6776 -20.2935 -20.2893 -15.8365 -15.8364 -6.9512 -6.9327 -6.2712 -6.2468 -4.2138 -4.2052 -1.5840 -1.5763 -0.0075 0.0017 2.0298 2.0315 6.1115 6.1120 6.6086 6.6092 6.6359 6.6370 7.5620 7.5639 7.6190 7.6201 9.4825 9.4838 10.5318 10.5348 11.0129 11.0145 11.6866 11.6902 12.7699 12.7711 12.8817 12.8828 13.2280 13.2309 14.9836 14.9880 k = 0.2243 0.5000-0.0000 ( 5128 PWs) bands (ev): -44.2062 -44.2062 -22.7394 -22.7394 -20.6800 -20.6764 -20.2916 -20.2875 -15.8387 -15.8385 -6.9766 -6.9590 -6.2870 -6.2642 -4.1612 -4.1531 -1.5833 -1.5758 -0.0046 0.0044 2.0239 2.0255 6.1092 6.1096 6.5368 6.5377 6.5960 6.5966 7.6400 7.6417 7.6963 7.6970 9.5015 9.5027 10.5549 10.5581 11.0321 11.0334 11.5892 11.5931 12.7382 12.7395 12.8805 12.8816 13.3281 13.3311 14.9821 14.9866 k = 0.2119 0.5000-0.0000 ( 5125 PWs) bands (ev): -44.2063 -44.2063 -22.7395 -22.7395 -20.6788 -20.6752 -20.2898 -20.2858 -15.8408 -15.8407 -7.0009 -6.9843 -6.3028 -6.2813 -4.1096 -4.1021 -1.5825 -1.5753 -0.0016 0.0072 2.0180 2.0196 6.1064 6.1066 6.4384 6.4394 6.5836 6.5842 7.7204 7.7216 7.7781 7.7783 9.5204 9.5216 10.5769 10.5807 11.0511 11.0522 11.4905 11.4947 12.7050 12.7063 12.8796 12.8807 13.4223 13.4255 14.9805 14.9850 k = 0.1994 0.5000-0.0000 ( 5123 PWs) bands (ev): -44.2063 -44.2063 -22.7396 -22.7396 -20.6776 -20.6741 -20.2879 -20.2840 -15.8429 -15.8428 -7.0240 -7.0084 -6.3183 -6.2982 -4.0594 -4.0524 -1.5815 -1.5746 0.0016 0.0100 2.0124 2.0139 6.1031 6.1032 6.3422 6.3432 6.5716 6.5721 7.8016 7.8023 7.8634 7.8636 9.5391 9.5401 10.5977 10.6019 11.0698 11.0707 11.3910 11.3956 12.6706 12.6718 12.8790 12.8800 13.5103 13.5136 14.9792 14.9837 k = 0.1869 0.5000-0.0000 ( 5121 PWs) bands (ev): -44.2064 -44.2064 -22.7397 -22.7397 -20.6764 -20.6730 -20.2861 -20.2823 -15.8449 -15.8448 -7.0459 -7.0312 -6.3334 -6.3147 -4.0106 -4.0042 -1.5806 -1.5740 0.0049 0.0129 2.0070 2.0084 6.0993 6.0994 6.2492 6.2504 6.5600 6.5604 7.8835 7.8837 7.9512 7.9518 9.5572 9.5582 10.6166 10.6215 11.0881 11.0887 11.2913 11.2966 12.6352 12.6364 12.8785 12.8794 13.5915 13.5950 14.9788 14.9831 k = 0.1745 0.5000-0.0000 ( 5119 PWs) bands (ev): -44.2064 -44.2064 -22.7398 -22.7398 -20.6753 -20.6720 -20.2843 -20.2807 -15.8469 -15.8468 -7.0665 -7.0528 -6.3480 -6.3307 -3.9637 -3.9577 -1.5795 -1.5733 0.0082 0.0158 2.0018 2.0032 6.0944 6.0953 6.1603 6.1622 6.5488 6.5492 7.9658 7.9658 8.0406 8.0414 9.5746 9.5756 10.6327 10.6386 11.1059 11.1060 11.1923 11.1989 12.5991 12.6002 12.8781 12.8789 13.6657 13.6694 14.9796 14.9837 k = 0.1620 0.5000-0.0000 ( 5123 PWs) bands (ev): -44.2065 -44.2065 -22.7399 -22.7399 -20.6742 -20.6711 -20.2826 -20.2791 -15.8488 -15.8487 -7.0858 -7.0731 -6.3621 -6.3461 -3.9187 -3.9133 -1.5784 -1.5725 0.0116 0.0188 1.9969 1.9982 6.0694 6.0719 6.0949 6.0983 6.5382 6.5386 8.0486 8.0489 8.1303 8.1313 9.5912 9.5921 10.6446 10.6517 11.0958 11.0997 11.1232 11.1269 12.5626 12.5636 12.8777 12.8785 13.7326 13.7364 14.9822 14.9860 k = 0.1496 0.5000-0.0000 ( 5125 PWs) bands (ev): -44.2065 -44.2065 -22.7400 -22.7400 -20.6731 -20.6702 -20.2809 -20.2776 -15.8506 -15.8505 -7.1038 -7.0921 -6.3755 -6.3608 -3.8760 -3.8710 -1.5773 -1.5718 0.0149 0.0217 1.9922 1.9935 5.9934 5.9937 6.0891 6.0902 6.5282 6.5285 8.1321 8.1325 8.2194 8.2203 9.6067 9.6075 10.6492 10.6580 11.0050 11.0129 11.1397 11.1407 12.5260 12.5270 12.8775 12.8782 13.7920 13.7960 14.9868 14.9902 k = 0.1371 0.5000-0.0000 ( 5130 PWs) bands (ev): -44.2066 -44.2066 -22.7401 -22.7401 -20.6721 -20.6694 -20.2793 -20.2761 -15.8523 -15.8522 -7.1205 -7.1097 -6.3881 -6.3747 -3.8357 -3.8312 -1.5762 -1.5711 0.0182 0.0245 1.9879 1.9891 5.9188 5.9189 6.0852 6.0858 6.5188 6.5191 8.2159 8.2164 8.3069 8.3077 9.6209 9.6218 10.6408 10.6514 10.9260 10.9359 11.1553 11.1560 12.4898 12.4907 12.8773 12.8779 13.8439 13.8480 14.9934 14.9964 k = 0.1246 0.5000-0.0000 ( 5131 PWs) bands (ev): -44.2066 -44.2066 -22.7402 -22.7402 -20.6712 -20.6686 -20.2777 -20.2748 -15.8539 -15.8538 -7.1357 -7.1259 -6.3999 -6.3878 -3.7981 -3.7940 -1.5751 -1.5705 0.0214 0.0272 1.9839 1.9850 5.8492 5.8494 6.0815 6.0820 6.5101 6.5103 8.2997 8.3001 8.3921 8.3928 9.6339 9.6346 10.6106 10.6219 10.8695 10.8801 11.1700 11.1705 12.4544 12.4552 12.8771 12.8777 13.8885 13.8926 15.0020 15.0046 k = 0.1122 0.5000-0.0000 ( 5136 PWs) bands (ev): -44.2066 -44.2066 -22.7403 -22.7402 -20.6703 -20.6680 -20.2763 -20.2736 -15.8553 -15.8553 -7.1495 -7.1406 -6.4107 -6.3999 -3.7633 -3.7597 -1.5740 -1.5698 0.0245 0.0297 1.9803 1.9812 5.7853 5.7856 6.0781 6.0784 6.5021 6.5023 8.3826 8.3831 8.4743 8.4749 9.6453 9.6461 10.5545 10.5644 10.8408 10.8500 11.1836 11.1839 12.4201 12.4209 12.8770 12.8775 13.9262 13.9302 15.0123 15.0145 k = 0.0997 0.5000-0.0000 ( 5132 PWs) bands (ev): -44.2067 -44.2067 -22.7403 -22.7403 -20.6695 -20.6674 -20.2749 -20.2725 -15.8567 -15.8566 -7.1618 -7.1539 -6.4206 -6.4109 -3.7316 -3.7284 -1.5730 -1.5693 0.0274 0.0320 1.9770 1.9778 5.7275 5.7277 6.0749 6.0752 6.4948 6.4950 8.4638 8.4641 8.5533 8.5535 9.6552 9.6559 10.4800 10.4878 10.8319 10.8389 11.1960 11.1963 12.3876 12.3882 12.8769 12.8773 13.9574 13.9613 15.0238 15.0257 k = 0.0872 0.5000-0.0000 ( 5128 PWs) bands (ev): -44.2067 -44.2067 -22.7404 -22.7404 -20.6688 -20.6669 -20.2737 -20.2715 -15.8579 -15.8578 -7.1727 -7.1658 -6.4293 -6.4209 -3.7031 -3.7004 -1.5721 -1.5688 0.0301 0.0342 1.9740 1.9748 5.6758 5.6761 6.0720 6.0723 6.4884 6.4885 8.5416 8.5418 8.6286 8.6287 9.6635 9.6641 10.3970 10.4031 10.8323 10.8375 11.2071 11.2073 12.3573 12.3578 12.8768 12.8772 13.9828 13.9865 15.0362 15.0377 k = 0.0748 0.5000-0.0000 ( 5118 PWs) bands (ev): -44.2067 -44.2067 -22.7404 -22.7404 -20.6681 -20.6665 -20.2725 -20.2707 -15.8589 -15.8589 -7.1821 -7.1762 -6.4370 -6.4298 -3.6781 -3.6757 -1.5712 -1.5683 0.0325 0.0361 1.9715 1.9721 5.6306 5.6308 6.0694 6.0696 6.4827 6.4828 8.6138 8.6138 8.7003 8.7007 9.6702 9.6708 10.3123 10.3171 10.8365 10.8404 11.2169 11.2171 12.3297 12.3301 12.8767 12.8771 14.0031 14.0065 15.0486 15.0497 k = 0.0623 0.5000-0.0000 ( 5115 PWs) bands (ev): -44.2068 -44.2068 -22.7405 -22.7405 -20.6675 -20.6662 -20.2716 -20.2700 -15.8598 -15.8598 -7.1900 -7.1850 -6.4434 -6.4375 -3.6566 -3.6546 -1.5704 -1.5680 0.0347 0.0377 1.9693 1.9699 5.5921 5.5923 6.0672 6.0674 6.4779 6.4780 8.6779 8.6780 8.7685 8.7692 9.6754 9.6760 10.2302 10.2340 10.8419 10.8448 11.2253 11.2254 12.3053 12.3057 12.8767 12.8770 14.0190 14.0220 15.0604 15.0613 k = 0.0499 0.5000-0.0000 ( 5117 PWs) bands (ev): -44.2068 -44.2068 -22.7405 -22.7405 -20.6670 -20.6659 -20.2707 -20.2694 -15.8606 -15.8605 -7.1964 -7.1924 -6.4487 -6.4439 -3.6388 -3.6372 -1.5696 -1.5677 0.0366 0.0389 1.9675 1.9680 5.5603 5.5604 6.0654 6.0655 6.4739 6.4740 8.7318 8.7320 8.8325 8.8333 9.6793 9.6798 10.1541 10.1571 10.8472 10.8493 11.2322 11.2323 12.2846 12.2849 12.8767 12.8769 14.0311 14.0336 15.0710 15.0717 k = 0.0374 0.5000-0.0000 ( 5111 PWs) bands (ev): -44.2068 -44.2068 -22.7405 -22.7405 -20.6666 -20.6658 -20.2700 -20.2691 -15.8612 -15.8611 -7.2012 -7.1983 -6.4527 -6.4491 -3.6247 -3.6236 -1.5690 -1.5676 0.0381 0.0399 1.9662 1.9665 5.5354 5.5356 6.0639 6.0640 6.4708 6.4709 8.7743 8.7746 8.8895 8.8903 9.6820 9.6824 10.0878 10.0901 10.8518 10.8533 11.2376 11.2376 12.2680 12.2683 12.8767 12.8769 14.0399 14.0419 15.0799 15.0804 k = 0.0249 0.5000-0.0000 ( 5111 PWs) bands (ev): -44.2068 -44.2068 -22.7406 -22.7406 -20.6662 -20.6657 -20.2695 -20.2688 -15.8616 -15.8616 -7.2046 -7.2026 -6.4554 -6.4530 -3.6146 -3.6138 -1.5685 -1.5676 0.0393 0.0405 1.9652 1.9654 5.5176 5.5177 6.0629 6.0629 6.4686 6.4686 8.8050 8.8052 8.9356 8.9363 9.6838 9.6840 10.0355 10.0370 10.8553 10.8563 11.2415 11.2415 12.2559 12.2561 12.8767 12.8768 14.0460 14.0473 15.0866 15.0869 k = 0.0125 0.5000-0.0000 ( 5109 PWs) bands (ev): -44.2068 -44.2068 -22.7406 -22.7406 -20.6660 -20.6657 -20.2691 -20.2687 -15.8618 -15.8618 -7.2064 -7.2054 -6.4567 -6.4556 -3.6084 -3.6080 -1.5681 -1.5676 0.0402 0.0408 1.9647 1.9648 5.5069 5.5070 6.0623 6.0623 6.4672 6.4673 8.8235 8.8236 8.9661 8.9664 9.6848 9.6849 10.0017 10.0025 10.8576 10.8580 11.2438 11.2438 12.2486 12.2486 12.8767 12.8768 14.0497 14.0504 15.0907 15.0909 k = 0.0000 0.5000-0.0000 ( 5102 PWs) bands (ev): -44.2068 -44.2068 -22.7406 -22.7406 -20.6658 -20.6658 -20.2688 -20.2688 -15.8619 -15.8619 -7.2066 -7.2066 -6.4568 -6.4568 -3.6062 -3.6062 -1.5678 -1.5678 0.0406 0.0406 1.9645 1.9645 5.5034 5.5034 6.0621 6.0621 6.4668 6.4668 8.8297 8.8297 8.9769 8.9769 9.6851 9.6851 9.9902 9.9902 10.8585 10.8585 11.2446 11.2446 12.2461 12.2461 12.8767 12.8767 14.0511 14.0511 15.0922 15.0922 k = 0.0000 0.5000-0.0000 ( 5102 PWs) bands (ev): -44.2068 -44.2068 -22.7406 -22.7406 -20.6658 -20.6658 -20.2688 -20.2688 -15.8619 -15.8619 -7.2066 -7.2066 -6.4568 -6.4568 -3.6062 -3.6062 -1.5678 -1.5678 0.0406 0.0406 1.9645 1.9645 5.5034 5.5034 6.0621 6.0621 6.4668 6.4668 8.8297 8.8297 8.9769 8.9769 9.6851 9.6851 9.9902 9.9902 10.8585 10.8585 11.2446 11.2446 12.2461 12.2461 12.8767 12.8767 14.0511 14.0511 15.0922 15.0922 k = 0.0000 0.5000 0.0126 ( 5104 PWs) bands (ev): -44.2068 -44.2068 -22.7423 -22.7416 -20.6661 -20.6654 -20.2688 -20.2687 -15.8586 -15.8581 -7.2065 -7.2065 -6.4568 -6.4568 -3.6062 -3.6061 -1.5759 -1.5634 0.0379 0.0400 1.9494 1.9657 5.5034 5.5035 6.0617 6.0624 6.4684 6.4724 8.8266 8.8279 8.9720 8.9770 9.6850 9.6853 9.9951 9.9971 10.8571 10.8583 11.2444 11.2451 12.2526 12.2553 12.8765 12.8775 14.0514 14.0514 15.0923 15.0924 k = 0.0000 0.5000 0.0252 ( 5100 PWs) bands (ev): -44.2069 -44.2068 -22.7468 -22.7454 -20.6664 -20.6650 -20.2687 -20.2685 -15.8481 -15.8471 -7.2062 -7.2061 -6.4568 -6.4567 -3.6060 -3.6059 -1.5877 -1.5626 0.0317 0.0361 1.9204 1.9529 5.5038 5.5038 6.0612 6.0627 6.4773 6.4851 8.8188 8.8210 8.9628 8.9721 9.6850 9.6856 10.0120 10.0155 10.8540 10.8563 11.2446 11.2459 12.2747 12.2800 12.8770 12.8790 14.0521 14.0521 15.0927 15.0928 k = 0.0000 0.5000 0.0377 ( 5100 PWs) bands (ev): -44.2069 -44.2069 -22.7541 -22.7520 -20.6667 -20.6646 -20.2685 -20.2682 -15.8304 -15.8290 -7.2055 -7.2054 -6.4568 -6.4566 -3.6057 -3.6055 -1.6031 -1.5655 0.0221 0.0289 1.8778 1.9263 5.5043 5.5044 6.0609 6.0629 6.4935 6.5047 8.8068 8.8095 8.9496 8.9623 9.6851 9.6860 10.0404 10.0450 10.8494 10.8528 11.2450 11.2471 12.3117 12.3196 12.8782 12.8814 14.0533 14.0534 15.0935 15.0936 k = 0.0000 0.5000 0.0503 ( 5104 PWs) bands (ev): -44.2069 -44.2069 -22.7639 -22.7612 -20.6670 -20.6642 -20.2682 -20.2679 -15.8058 -15.8039 -7.2046 -7.2044 -6.4567 -6.4564 -3.6053 -3.6050 -1.6221 -1.5720 0.0092 0.0186 1.8223 1.8863 5.5051 5.5052 6.0606 6.0631 6.5168 6.5310 8.7912 8.7939 8.9328 8.9477 9.6853 9.6864 10.0797 10.0847 10.8433 10.8477 11.2458 11.2485 12.3627 12.3731 12.8803 12.8851 14.0551 14.0551 15.0945 15.0947 k = 0.0000 0.5000 0.0629 ( 5106 PWs) bands (ev): -44.2070 -44.2069 -22.7764 -22.7730 -20.6671 -20.6638 -20.2679 -20.2674 -15.7744 -15.7719 -7.2035 -7.2033 -6.4566 -6.4562 -3.6048 -3.6044 -1.6446 -1.5821 -0.0070 0.0054 1.7542 1.8335 5.5061 5.5063 6.0604 6.0633 6.5470 6.5639 8.7726 8.7749 8.9128 8.9287 9.6856 9.6869 10.1293 10.1339 10.8359 10.8412 11.2469 11.2502 12.4264 12.4393 12.8840 12.8907 14.0573 14.0574 15.0958 15.0960 k = 0.0000 0.5000 0.0755 ( 5112 PWs) bands (ev): -44.2071 -44.2070 -22.7912 -22.7873 -20.6673 -20.6633 -20.2674 -20.2668 -15.7362 -15.7333 -7.2021 -7.2018 -6.4565 -6.4560 -3.6041 -3.6037 -1.6706 -1.5957 -0.0263 -0.0106 1.6745 1.7684 5.5073 5.5075 6.0603 6.0635 6.5839 6.6029 8.7518 8.7534 8.8899 8.9058 9.6859 9.6874 10.1883 10.1918 10.8273 10.8334 11.2483 11.2521 12.5007 12.5161 12.8901 12.8996 14.0600 14.0601 15.0974 15.0977 k = 0.0000 0.5000 0.0881 ( 5124 PWs) bands (ev): -44.2071 -44.2071 -22.8083 -22.8039 -20.6673 -20.6629 -20.2668 -20.2662 -15.6917 -15.6883 -7.2004 -7.2002 -6.4564 -6.4558 -3.6033 -3.6028 -1.6999 -1.6127 -0.0487 -0.0292 1.5838 1.6920 5.5088 5.5090 6.0605 6.0638 6.6272 6.6478 8.7293 8.7302 8.8643 8.8796 9.6862 9.6879 10.2558 10.2579 10.8178 10.8245 11.2498 11.2541 12.5821 12.6004 12.9007 12.9143 14.0632 14.0633 15.0994 15.0997 k = 0.0000 0.5000 0.1006 ( 5122 PWs) bands (ev): -44.2072 -44.2071 -22.8276 -22.8226 -20.6673 -20.6624 -20.2662 -20.2655 -15.6409 -15.6370 -7.1985 -7.1983 -6.4562 -6.4556 -3.6024 -3.6017 -1.7325 -1.6330 -0.0740 -0.0502 1.4832 1.6051 5.5105 5.5107 6.0608 6.0642 6.6766 6.6984 8.7053 8.7062 8.8363 8.8506 9.6865 9.6883 10.3307 10.3318 10.8074 10.8146 11.2515 11.2563 12.6642 12.6860 12.9206 12.9404 14.0668 14.0670 15.1016 15.1020 k = 0.0000 0.5000 0.1132 ( 5120 PWs) bands (ev): -44.2073 -44.2072 -22.8487 -22.8433 -20.6672 -20.6619 -20.2655 -20.2647 -15.5842 -15.5799 -7.1965 -7.1962 -6.4561 -6.4554 -3.6014 -3.6006 -1.7683 -1.6566 -0.1020 -0.0732 1.3737 1.5087 5.5124 5.5126 6.0613 6.0647 6.7316 6.7541 8.6804 8.6819 8.8062 8.8192 9.6868 9.6886 10.4114 10.4140 10.7964 10.8040 11.2533 11.2585 12.7358 12.7608 12.9611 12.9878 14.0709 14.0711 15.1042 15.1047 k = 0.0000 0.5000 0.1258 ( 5118 PWs) bands (ev): -44.2074 -44.2073 -22.8716 -22.8658 -20.6671 -20.6614 -20.2647 -20.2639 -15.5219 -15.5172 -7.1942 -7.1939 -6.4560 -6.4552 -3.6003 -3.5993 -1.8071 -1.6833 -0.1327 -0.0981 1.2562 1.4039 5.5145 5.5148 6.0620 6.0653 6.7918 6.8146 8.6553 8.6576 8.7743 8.7860 9.6870 9.6888 10.4981 10.5032 10.7848 10.7928 11.2552 11.2607 12.7865 12.8109 13.0355 13.0654 14.0754 14.0757 15.1072 15.1077 k = 0.0000 0.5000 0.1384 ( 5130 PWs) bands (ev): -44.2075 -44.2074 -22.8960 -22.8899 -20.6669 -20.6609 -20.2638 -20.2630 -15.4544 -15.4493 -7.1917 -7.1914 -6.4559 -6.4550 -3.5991 -3.5979 -1.8489 -1.7130 -0.1659 -0.1246 1.1320 1.2919 5.5169 5.5171 6.0628 6.0661 6.8566 6.8795 8.6305 8.6333 8.7408 8.7514 9.6871 9.6889 10.5908 10.5983 10.7730 10.7813 11.2571 11.2630 12.8184 12.8393 13.1402 13.1699 14.0804 14.0807 15.1104 15.1110 k = 0.0000 0.5000 0.1510 ( 5124 PWs) bands (ev): -44.2077 -44.2075 -22.9218 -22.9154 -20.6665 -20.6603 -20.2628 -20.2620 -15.3820 -15.3765 -7.1890 -7.1888 -6.4559 -6.4548 -3.5978 -3.5964 -1.8934 -1.7457 -0.2015 -0.1526 1.0021 1.1739 5.5194 5.5197 6.0638 6.0670 6.9256 6.9484 8.6060 8.6095 8.7062 8.7157 9.6871 9.6888 10.6887 10.6990 10.7610 10.7699 11.2590 11.2652 12.8401 12.8579 13.2627 13.2915 14.0857 14.0861 15.1141 15.1147 k = 0.0000 0.5000 0.1635 ( 5126 PWs) bands (ev): -44.2078 -44.2076 -22.9487 -22.9421 -20.6662 -20.6597 -20.2619 -20.2610 -15.3050 -15.2991 -7.1862 -7.1860 -6.4559 -6.4547 -3.5964 -3.5948 -1.9405 -1.7813 -0.2396 -0.1817 0.8679 1.0510 5.5221 5.5224 6.0650 6.0681 6.9982 7.0207 8.5822 8.5862 8.6706 8.6793 9.6871 9.6886 10.7487 10.7556 10.7946 10.8055 11.2610 11.2673 12.8575 12.8732 13.3953 13.4236 14.0915 14.0919 15.1181 15.1188 k = 0.0000 0.5000 0.1761 ( 5122 PWs) bands (ev): -44.2079 -44.2078 -22.9765 -22.9697 -20.6657 -20.6592 -20.2608 -20.2599 -15.2240 -15.2177 -7.1833 -7.1831 -6.4560 -6.4546 -3.5949 -3.5931 -1.9902 -1.8197 -0.2801 -0.2117 0.7304 0.9247 5.5250 5.5253 6.0663 6.0692 7.0738 7.0958 8.5590 8.5635 8.6346 8.6427 9.6869 9.6883 10.7371 10.7451 10.9018 10.9160 11.2628 11.2694 12.8738 12.8880 13.5344 13.5622 14.0976 14.0981 15.1225 15.1232 k = 0.0000 0.5000 0.1887 ( 5126 PWs) bands (ev): -44.2081 -44.2079 -23.0050 -22.9981 -20.6651 -20.6585 -20.2597 -20.2588 -15.1392 -15.1326 -7.1803 -7.1801 -6.4561 -6.4546 -3.5934 -3.5913 -2.0423 -1.8607 -0.3232 -0.2425 0.5910 0.7961 5.5281 5.5283 6.0676 6.0705 7.1516 7.1733 8.5363 8.5414 8.5986 8.6062 9.6865 9.6878 10.7257 10.7339 11.0146 11.0309 11.2648 11.2714 12.8906 12.9039 13.6777 13.7052 14.1041 14.1047 15.1273 15.1281 k = 0.0000 0.5000 0.2013 ( 5130 PWs) bands (ev): -44.2082 -44.2080 -23.0340 -23.0270 -20.6645 -20.6579 -20.2586 -20.2577 -15.0512 -15.0442 -7.1772 -7.1770 -6.4564 -6.4547 -3.5918 -3.5894 -2.0966 -1.9045 -0.3691 -0.2740 0.4510 0.6666 5.5312 5.5315 6.0691 6.0719 7.2312 7.2526 8.5136 8.5198 8.5634 8.5704 9.6861 9.6872 10.7149 10.7232 11.1313 11.1493 11.2671 11.2737 12.9089 12.9216 13.8237 13.8508 14.1111 14.1118 15.1325 15.1334 k = 0.0000 0.5000 0.2139 ( 5126 PWs) bands (ev): -44.2083 -44.2082 -23.0633 -23.0563 -20.6639 -20.6572 -20.2574 -20.2565 -14.9603 -14.9530 -7.1741 -7.1738 -6.4567 -6.4549 -3.5901 -3.5873 -2.1531 -1.9509 -0.4182 -0.3058 0.3118 0.5379 5.5345 5.5348 6.0707 6.0733 7.3118 7.3330 8.4898 8.4979 8.5305 8.5362 9.6855 9.6864 10.7047 10.7130 11.2478 11.2551 11.2780 11.2877 12.9293 12.9417 13.9706 13.9973 14.1189 14.1199 15.1382 15.1391 k = 0.0000 0.5000 0.2264 ( 5124 PWs) bands (ev): -44.2085 -44.2083 -23.0927 -23.0858 -20.6631 -20.6565 -20.2563 -20.2553 -14.8671 -14.8595 -7.1710 -7.1706 -6.4572 -6.4552 -3.5884 -3.5852 -2.2114 -1.9999 -0.4709 -0.3382 0.1749 0.4113 5.5379 5.5381 6.0723 6.0748 7.3927 7.4139 8.4630 8.4743 8.5021 8.5053 9.6847 9.6854 10.6955 10.7038 11.2663 11.2735 11.3796 11.4028 12.9524 12.9646 14.1048 14.1175 14.1416 14.1538 15.1443 15.1453 k = 0.0000 0.5000 0.2390 ( 5124 PWs) bands (ev): -44.2086 -44.2085 -23.1220 -23.1152 -20.6623 -20.6558 -20.2551 -20.2542 -14.7720 -14.7642 -7.1678 -7.1674 -6.4578 -6.4556 -3.5867 -3.5831 -2.2715 -2.0516 -0.5281 -0.3712 0.0419 0.2885 5.5413 5.5416 6.0740 6.0764 7.4731 7.4946 8.4325 8.4471 8.4790 8.4802 9.6839 9.6844 10.6872 10.6954 11.2681 11.2754 11.5068 11.5314 12.9786 12.9908 14.1299 14.1306 14.2725 14.2958 15.1508 15.1519 k = 0.0000 0.5000 0.2516 ( 5128 PWs) bands (ev): -44.2088 -44.2086 -23.1511 -23.1444 -20.6615 -20.6551 -20.2538 -20.2530 -14.6755 -14.6675 -7.1647 -7.1641 -6.4586 -6.4561 -3.5850 -3.5809 -2.3333 -2.1060 -0.5903 -0.4052 -0.0854 0.1715 5.5448 5.5451 6.0757 6.0780 7.5523 7.5744 8.3999 8.4172 8.4595 8.4607 9.6829 9.6832 10.6800 10.6882 11.2692 11.2765 11.6372 11.6633 13.0084 13.0206 14.1386 14.1387 14.4187 14.4417 15.1578 15.1591 k = 0.0000 0.5000 0.2642 ( 5130 PWs) bands (ev): -44.2089 -44.2087 -23.1798 -23.1732 -20.6606 -20.6544 -20.2526 -20.2518 -14.5782 -14.5700 -7.1617 -7.1610 -6.4595 -6.4568 -3.5833 -3.5786 -2.3964 -2.1630 -0.6581 -0.4418 -0.2046 0.0619 5.5483 5.5486 6.0775 6.0796 7.6294 7.6527 8.3672 8.3871 8.4427 8.4441 9.6818 9.6820 10.6741 10.6822 11.2699 11.2773 11.7703 11.7975 13.0420 13.0543 14.1465 14.1468 14.5640 14.5862 15.1654 15.1667 k = 0.0000 0.5000 0.2767 ( 5130 PWs) bands (ev): -44.2091 -44.2089 -23.2079 -23.2014 -20.6597 -20.6537 -20.2514 -20.2506 -14.4805 -14.4721 -7.1587 -7.1578 -6.4605 -6.4577 -3.5816 -3.5763 -2.4606 -2.2227 -0.7317 -0.4846 -0.3112 -0.0385 5.5518 5.5521 6.0792 6.0813 7.7034 7.7286 8.3353 8.3583 8.4277 8.4292 9.6805 9.6807 10.6694 10.6773 11.2704 11.2777 11.9053 11.9336 13.0797 13.0923 14.1543 14.1548 14.7071 14.7281 15.1734 15.1749 k = 0.0000 0.5000 0.2893 ( 5130 PWs) bands (ev): -44.2092 -44.2090 -23.2352 -23.2290 -20.6588 -20.6530 -20.2503 -20.2495 -14.3831 -14.3746 -7.1558 -7.1548 -6.4618 -6.4587 -3.5800 -3.5739 -2.5257 -2.2851 -0.8101 -0.5420 -0.3968 -0.1288 5.5553 5.5556 6.0810 6.0829 7.7732 7.8011 8.3054 8.3320 8.4142 8.4157 9.6791 9.6794 10.6660 10.6738 11.2706 11.2779 12.0419 12.0711 13.1219 13.1346 14.1621 14.1628 14.8469 14.8668 15.1821 15.1838 k = 0.0000 0.5000 0.3019 ( 5134 PWs) bands (ev): -44.2094 -44.2092 -23.2617 -23.2557 -20.6578 -20.6523 -20.2491 -20.2483 -14.2864 -14.2778 -7.1531 -7.1519 -6.4632 -6.4599 -3.5784 -3.5716 -2.5913 -2.3500 -0.8919 -0.6198 -0.4557 -0.2085 5.5588 5.5590 6.0827 6.0846 7.8374 7.8690 8.2783 8.3096 8.4019 8.4034 9.6776 9.6781 10.6639 10.6716 11.2707 11.2779 12.1794 12.2094 13.1687 13.1816 14.1699 14.1707 14.9826 15.0012 15.1917 15.1938 k = 0.0000 0.5000 0.3145 ( 5128 PWs) bands (ev): -44.2095 -44.2093 -23.2872 -23.2815 -20.6569 -20.6516 -20.2480 -20.2472 -14.1911 -14.1825 -7.1505 -7.1492 -6.4647 -6.4612 -3.5769 -3.5693 -2.6571 -2.4172 -0.9747 -0.7097 -0.4962 -0.2781 5.5622 5.5624 6.0845 6.0862 7.8941 7.9305 8.2557 8.2926 8.3907 8.3921 9.6762 9.6768 10.6630 10.6706 11.2705 11.2776 12.3174 12.3480 13.2202 13.2333 14.1775 14.1784 15.1113 15.1284 15.2045 15.2070 k = 0.0000 0.5000 0.3271 ( 5134 PWs) bands (ev): -44.2096 -44.2095 -23.3116 -23.3061 -20.6560 -20.6510 -20.2469 -20.2462 -14.0977 -14.0892 -7.1480 -7.1466 -6.4664 -6.4628 -3.5755 -3.5671 -2.7224 -2.4864 -1.0562 -0.8022 -0.5279 -0.3386 5.5655 5.5657 6.0861 6.0878 7.9408 7.9824 8.2404 8.2832 8.3805 8.3818 9.6747 9.6755 10.6634 10.6707 11.2702 11.2772 12.4552 12.4861 13.2765 13.2898 14.1850 14.1861 15.1971 15.2012 15.2578 15.2679 k = 0.0000 0.5000 0.3396 ( 5140 PWs) bands (ev): -44.2098 -44.2096 -23.3347 -23.3296 -20.6550 -20.6504 -20.2458 -20.2452 -14.0069 -13.9985 -7.1457 -7.1443 -6.4682 -6.4645 -3.5742 -3.5649 -2.7869 -2.5571 -1.1343 -0.8930 -0.5548 -0.3914 5.5686 5.5688 6.0878 6.0893 7.9751 8.0202 8.2368 8.2837 8.3712 8.3724 9.6733 9.6742 10.6649 10.6719 11.2698 11.2765 12.5920 12.6231 13.3375 13.3508 14.1923 14.1935 15.2151 15.2160 15.3716 15.3835 k = 0.0000 0.5000 0.3522 ( 5138 PWs) bands (ev): -44.2099 -44.2097 -23.3565 -23.3517 -20.6541 -20.6498 -20.2448 -20.2442 -13.9193 -13.9111 -7.1437 -7.1421 -6.4701 -6.4663 -3.5731 -3.5628 -2.8499 -2.6285 -1.2075 -0.9799 -0.5786 -0.4375 5.5717 5.5719 6.0893 6.0907 7.9956 8.0396 8.2490 8.2951 8.3629 8.3639 9.6720 9.6730 10.6673 10.6741 11.2692 11.2757 12.7271 12.7582 13.4030 13.4163 14.1993 14.2007 15.2263 15.2276 15.4859 15.4966 k = 0.0000 0.5000 0.3648 ( 5138 PWs) bands (ev): -44.2100 -44.2098 -23.3769 -23.3724 -20.6532 -20.6492 -20.2438 -20.2433 -13.8355 -13.8276 -7.1418 -7.1401 -6.4722 -6.4683 -3.5721 -3.5610 -2.9106 -2.7000 -1.2747 -1.0619 -0.6000 -0.4780 5.5746 5.5747 6.0908 6.0921 8.0039 8.0423 8.2750 8.3160 8.3554 8.3563 9.6707 9.6718 10.6706 10.6770 11.2686 11.2747 12.8596 12.8903 13.4726 13.4858 14.2060 14.2075 15.2370 15.2386 15.5941 15.6033 k = 0.0000 0.5000 0.3774 ( 5144 PWs) bands (ev): -44.2101 -44.2100 -23.3958 -23.3916 -20.6524 -20.6487 -20.2429 -20.2424 -13.7562 -13.7486 -7.1401 -7.1384 -6.4742 -6.4704 -3.5713 -3.5593 -2.9684 -2.7706 -1.3351 -1.1384 -0.6190 -0.5138 5.5773 5.5774 6.0922 6.0934 8.0032 8.0348 8.3078 8.3420 8.3497 8.3499 9.6696 9.6707 10.6744 10.6806 11.2678 11.2736 12.9883 13.0184 13.5457 13.5587 14.2122 14.2140 15.2475 15.2492 15.6947 15.7025 k = 0.0000 0.5000 0.3900 ( 5156 PWs) bands (ev): -44.2102 -44.2101 -23.4130 -23.4093 -20.6516 -20.6482 -20.2421 -20.2416 -13.6819 -13.6748 -7.1386 -7.1370 -6.4763 -6.4725 -3.5706 -3.5580 -3.0225 -2.8393 -1.3886 -1.2090 -0.6360 -0.5454 5.5798 5.5799 6.0935 6.0946 7.9973 8.0228 8.3358 8.3424 8.3510 8.3726 9.6686 9.6697 10.6788 10.6845 11.2671 11.2725 13.1122 13.1414 13.6215 13.6342 14.2180 14.2200 15.2577 15.2597 15.7866 15.7934 k = 0.0000 0.5000 0.4025 ( 5160 PWs) bands (ev): -44.2103 -44.2102 -23.4286 -23.4252 -20.6508 -20.6478 -20.2413 -20.2409 -13.6134 -13.6068 -7.1373 -7.1357 -6.4783 -6.4747 -3.5701 -3.5570 -3.0721 -2.9051 -1.4348 -1.2734 -0.6508 -0.5733 5.5821 5.5822 6.0947 6.0957 7.9888 8.0093 8.3355 8.3371 8.3798 8.4014 9.6677 9.6688 10.6834 10.6886 11.2663 11.2713 13.2300 13.2578 13.6989 13.7110 14.2233 14.2255 15.2676 15.2697 15.8687 15.8753 k = 0.0000 0.5000 0.4151 ( 5160 PWs) bands (ev): -44.2103 -44.2102 -23.4425 -23.4395 -20.6501 -20.6475 -20.2407 -20.2403 -13.5512 -13.5452 -7.1362 -7.1347 -6.4802 -6.4768 -3.5698 -3.5565 -3.1164 -2.9669 -1.4740 -1.3315 -0.6635 -0.5978 5.5842 5.5843 6.0958 6.0966 7.9794 7.9958 8.3314 8.3325 8.4104 8.4284 9.6670 9.6680 10.6880 10.6927 11.2656 11.2701 13.3402 13.3663 13.7765 13.7879 14.2279 14.2304 15.2770 15.2792 15.9402 15.9473 k = 0.0000 0.5000 0.4277 ( 5158 PWs) bands (ev): -44.2104 -44.2103 -23.4546 -23.4520 -20.6495 -20.6472 -20.2401 -20.2397 -13.4959 -13.4906 -7.1353 -7.1339 -6.4819 -6.4788 -3.5696 -3.5565 -3.1546 -3.0239 -1.5060 -1.3831 -0.6741 -0.6193 5.5860 5.5861 6.0968 6.0975 7.9701 7.9832 8.3276 8.3284 8.4378 8.4525 9.6664 9.6673 10.6926 10.6967 11.2650 11.2689 13.4412 13.4651 13.8522 13.8628 14.2318 14.2346 15.2856 15.2879 16.0005 16.0085 k = 0.0000 0.5000 0.4403 ( 5160 PWs) bands (ev): -44.2105 -44.2104 -23.4649 -23.4627 -20.6489 -20.6470 -20.2395 -20.2393 -13.4480 -13.4434 -7.1345 -7.1333 -6.4835 -6.4808 -3.5693 -3.5570 -3.1860 -3.0753 -1.5313 -1.4283 -0.6825 -0.6378 5.5875 5.5876 6.0976 6.0982 7.9617 7.9719 8.3244 8.3250 8.4615 8.4732 9.6659 9.6667 10.6968 10.7003 11.2644 11.2678 13.5315 13.5525 13.9241 13.9336 14.2350 14.2381 15.2932 15.2955 16.0495 16.0584 k = 0.0000 0.5000 0.4529 ( 5162 PWs) bands (ev): -44.2105 -44.2104 -23.4733 -23.4716 -20.6484 -20.6468 -20.2391 -20.2389 -13.4080 -13.4043 -7.1339 -7.1329 -6.4848 -6.4825 -3.5691 -3.5581 -3.2101 -3.1203 -1.5498 -1.4671 -0.6887 -0.6535 5.5888 5.5889 6.0983 6.0988 7.9545 7.9623 8.3218 8.3223 8.4811 8.4902 9.6656 9.6662 10.7005 10.7034 11.2640 11.2667 13.6091 13.6268 13.9894 13.9976 14.2372 14.2406 15.2998 15.3018 16.0876 16.0969 k = 0.0000 0.5000 0.4654 ( 5168 PWs) bands (ev): -44.2105 -44.2105 -23.4798 -23.4785 -20.6479 -20.6468 -20.2387 -20.2386 -13.3764 -13.3735 -7.1334 -7.1326 -6.4857 -6.4840 -3.5686 -3.5597 -3.2265 -3.1583 -1.5617 -1.4995 -0.6926 -0.6666 5.5899 5.5899 6.0989 6.0992 7.9489 7.9545 8.3198 8.3201 8.4966 8.5033 9.6653 9.6658 10.7037 10.7059 11.2637 11.2658 13.6725 13.6863 14.0453 14.0521 14.2386 14.2421 15.3050 15.3068 16.1159 16.1247 k = 0.0000 0.5000 0.4780 ( 5160 PWs) bands (ev): -44.2106 -44.2105 -23.4845 -23.4836 -20.6475 -20.6468 -20.2385 -20.2384 -13.3534 -13.3514 -7.1330 -7.1324 -6.4864 -6.4852 -3.5679 -3.5616 -3.2349 -3.1891 -1.5671 -1.5256 -0.6942 -0.6771 5.5906 5.5906 6.0993 6.0995 7.9450 7.9487 8.3183 8.3185 8.5080 8.5124 9.6652 9.6655 10.7061 10.7076 11.2636 11.2650 13.7198 13.7293 14.0889 14.0939 14.2393 14.2424 15.3089 15.3102 16.1355 16.1427 k = 0.0000 0.5000 0.4906 ( 5158 PWs) bands (ev): -44.2106 -44.2106 -23.4872 -23.4867 -20.6472 -20.6468 -20.2383 -20.2383 -13.3392 -13.3383 -7.1327 -7.1324 -6.4866 -6.4860 -3.5668 -3.5636 -3.2354 -3.2124 -1.5662 -1.5454 -0.6936 -0.6850 5.5911 5.5911 6.0996 6.0997 7.9430 7.9448 8.3175 8.3176 8.5152 8.5174 9.6651 9.6653 10.7078 10.7085 11.2637 11.2644 13.7499 13.7547 14.1174 14.1202 14.2396 14.2416 15.3113 15.3120 16.1479 16.1520 k = 0.0000 0.5000 0.5032 ( 5156 PWs) bands (ev): -44.2106 -44.2106 -23.4879 -23.4879 -20.6470 -20.6470 -20.2383 -20.2383 -13.3342 -13.3342 -7.1325 -7.1325 -6.4865 -6.4865 -3.5653 -3.5653 -3.2278 -3.2278 -1.5590 -1.5590 -0.6905 -0.6905 5.5912 5.5912 6.0997 6.0997 7.9429 7.9429 8.3172 8.3172 8.5183 8.5183 9.6652 9.6652 10.7086 10.7086 11.2640 11.2640 13.7616 13.7616 14.1283 14.1283 14.2404 14.2404 15.3124 15.3124 16.1535 16.1535 k = 0.0000 0.5000 0.5032 ( 5156 PWs) bands (ev): -44.2106 -44.2106 -23.4879 -23.4879 -20.6470 -20.6470 -20.2383 -20.2383 -13.3342 -13.3342 -7.1325 -7.1325 -6.4865 -6.4865 -3.5653 -3.5653 -3.2278 -3.2278 -1.5590 -1.5590 -0.6905 -0.6905 5.5912 5.5912 6.0997 6.0997 7.9429 7.9429 8.3172 8.3172 8.5183 8.5183 9.6652 9.6652 10.7086 10.7086 11.2640 11.2640 13.7616 13.7616 14.1283 14.1283 14.2404 14.2404 15.3124 15.3124 16.1535 16.1535 k = 0.0125 0.5000 0.5032 ( 5152 PWs) bands (ev): -44.2106 -44.2106 -23.4879 -23.4879 -20.6472 -20.6469 -20.2385 -20.2382 -13.3341 -13.3341 -7.1320 -7.1314 -6.4859 -6.4853 -3.5673 -3.5672 -3.2281 -3.2280 -1.5590 -1.5589 -0.6918 -0.6913 5.5947 5.5948 6.0999 6.0999 7.9426 7.9471 8.3133 8.3137 8.5166 8.5211 9.6647 9.6648 10.7066 10.7071 11.2631 11.2633 13.7611 13.7614 14.1280 14.1285 14.2384 14.2389 15.3113 15.3117 16.1553 16.1578 k = 0.0249 0.5000 0.5032 ( 5150 PWs) bands (ev): -44.2106 -44.2106 -23.4879 -23.4879 -20.6474 -20.6469 -20.2388 -20.2383 -13.3339 -13.3339 -7.1299 -7.1287 -6.4836 -6.4824 -3.5730 -3.5729 -3.2288 -3.2286 -1.5590 -1.5587 -0.6952 -0.6943 5.6054 5.6055 6.1004 6.1005 7.9461 7.9551 8.3020 8.3027 8.5158 8.5250 9.6635 9.6637 10.7011 10.7021 11.2607 11.2611 13.7597 13.7603 14.1278 14.1286 14.2329 14.2339 15.3084 15.3093 16.1630 16.1680 k = 0.0374 0.5000 0.5032 ( 5152 PWs) bands (ev): -44.2105 -44.2105 -23.4878 -23.4878 -20.6477 -20.6470 -20.2394 -20.2385 -13.3335 -13.3335 -7.1262 -7.1243 -6.4795 -6.4778 -3.5824 -3.5823 -3.2299 -3.2297 -1.5590 -1.5585 -0.7007 -0.6994 5.6231 5.6232 6.1014 6.1015 7.9534 7.9671 8.2834 8.2845 8.5160 8.5300 9.6615 9.6618 10.6921 10.6936 11.2568 11.2574 13.7576 13.7584 14.1276 14.1288 14.2236 14.2251 15.3041 15.3054 16.1764 16.1839 k = 0.0499 0.5000 0.5032 ( 5154 PWs) bands (ev): -44.2105 -44.2105 -23.4877 -23.4877 -20.6481 -20.6472 -20.2400 -20.2389 -13.3330 -13.3330 -7.1208 -7.1184 -6.4737 -6.4714 -3.5956 -3.5954 -3.2315 -3.2312 -1.5589 -1.5583 -0.7083 -0.7065 5.6477 5.6479 6.1027 6.1028 7.9643 7.9827 8.2579 8.2593 8.5172 8.5361 9.6586 9.6590 10.6796 10.6817 11.2515 11.2522 13.7548 13.7559 14.1274 14.1289 14.2105 14.2123 15.2986 15.3004 16.1953 16.2050 k = 0.0623 0.5000 0.5032 ( 5144 PWs) bands (ev): -44.2105 -44.2105 -23.4876 -23.4876 -20.6486 -20.6474 -20.2408 -20.2395 -13.3323 -13.3323 -7.1139 -7.1109 -6.4663 -6.4633 -3.6124 -3.6122 -3.2335 -3.2331 -1.5588 -1.5580 -0.7178 -0.7155 5.6792 5.6795 6.1044 6.1045 7.9786 8.0021 8.2257 8.2275 8.5194 8.5434 9.6549 9.6554 10.6639 10.6665 11.2447 11.2456 13.7515 13.7530 14.1272 14.1289 14.1930 14.1951 15.2926 15.2949 16.2191 16.2304 k = 0.0748 0.5000 0.5032 ( 5140 PWs) bands (ev): -44.2105 -44.2105 -23.4875 -23.4875 -20.6492 -20.6478 -20.2418 -20.2401 -13.3315 -13.3315 -7.1054 -7.1018 -6.4571 -6.4536 -3.6329 -3.6326 -3.2357 -3.2353 -1.5587 -1.5577 -0.7292 -0.7265 5.7174 5.7178 6.1064 6.1066 7.9962 8.0249 8.1873 8.1894 8.5224 8.5519 9.6502 9.6507 10.6450 10.6481 11.2366 11.2376 13.7478 13.7497 14.1269 14.1288 14.1708 14.1730 15.2867 15.2896 16.2470 16.2569 k = 0.0872 0.5000 0.5032 ( 5138 PWs) bands (ev): -44.2105 -44.2105 -23.4874 -23.4873 -20.6499 -20.6482 -20.2428 -20.2410 -13.3306 -13.3306 -7.0953 -7.0911 -6.4464 -6.4423 -3.6568 -3.6564 -3.2384 -3.2378 -1.5586 -1.5575 -0.7423 -0.7392 5.7622 5.7626 6.1087 6.1090 8.0167 8.0510 8.1433 8.1457 8.5265 8.5617 9.6444 9.6450 10.6229 10.6267 11.2271 11.2283 13.7440 13.7462 14.1261 14.1274 14.1445 14.1462 15.2816 15.2850 16.2684 16.2764 k = 0.0997 0.5000 0.5032 ( 5138 PWs) bands (ev): -44.2104 -44.2104 -23.4872 -23.4872 -20.6506 -20.6487 -20.2440 -20.2419 -13.3295 -13.3295 -7.0837 -7.0789 -6.4341 -6.4294 -3.6840 -3.6836 -3.2413 -3.2407 -1.5584 -1.5572 -0.7571 -0.7536 5.8133 5.8139 6.1113 6.1117 8.0398 8.0795 8.0942 8.0974 8.5314 8.5729 9.6377 9.6383 10.5980 10.6023 11.2164 11.2178 13.7402 13.7428 14.1070 14.1100 14.1288 14.1315 15.2779 15.2819 16.2582 16.2749 k = 0.1122 0.5000 0.5032 ( 5130 PWs) bands (ev): -44.2104 -44.2104 -23.4870 -23.4870 -20.6514 -20.6493 -20.2453 -20.2430 -13.3283 -13.3283 -7.0705 -7.0652 -6.4203 -6.4150 -3.7145 -3.7139 -3.2445 -3.2438 -1.5583 -1.5569 -0.7734 -0.7695 5.8705 5.8712 6.1141 6.1147 8.0398 8.0428 8.0659 8.1125 8.5373 8.5856 9.6299 9.6305 10.5702 10.5752 11.2045 11.2061 13.7368 13.7398 14.0679 14.0710 14.1279 14.1307 15.2763 15.2809 16.2424 16.2585 k = 0.1246 0.5000 0.5032 ( 5122 PWs) bands (ev): -44.2104 -44.2104 -23.4868 -23.4868 -20.6522 -20.6500 -20.2467 -20.2442 -13.3270 -13.3270 -7.0558 -7.0500 -6.4051 -6.3993 -3.7480 -3.7474 -3.2479 -3.2472 -1.5583 -1.5567 -0.7910 -0.7867 5.9333 5.9344 6.1172 6.1182 7.9824 7.9854 8.0932 8.1468 8.5441 8.5997 9.6210 9.6216 10.5399 10.5455 11.1915 11.1933 13.7339 13.7372 14.0215 14.0244 14.1279 14.1307 15.2774 15.2826 16.2246 16.2402 k = 0.1371 0.5000 0.5032 ( 5118 PWs) bands (ev): -44.2103 -44.2103 -23.4866 -23.4866 -20.6531 -20.6507 -20.2482 -20.2455 -13.3256 -13.3255 -7.0396 -7.0333 -6.3885 -6.3821 -3.7844 -3.7836 -3.2517 -3.2508 -1.5583 -1.5565 -0.8098 -0.8051 6.0010 6.0029 6.1208 6.1225 7.9214 7.9245 8.1223 8.1835 8.5519 8.6154 9.6111 9.6117 10.5071 10.5135 11.1776 11.1796 13.7317 13.7355 13.9679 13.9708 14.1281 14.1308 15.2815 15.2874 16.2055 16.2207 k = 0.1496 0.5000 0.5032 ( 5116 PWs) bands (ev): -44.2103 -44.2103 -23.4863 -23.4863 -20.6541 -20.6515 -20.2498 -20.2469 -13.3240 -13.3240 -7.0220 -7.0152 -6.3707 -6.3638 -3.8235 -3.8226 -3.2556 -3.2547 -1.5584 -1.5564 -0.8296 -0.8246 6.0706 6.0749 6.1261 6.1303 7.8578 7.8611 8.1527 8.2220 8.5607 8.6328 9.6003 9.6007 10.4722 10.4793 11.1628 11.1649 13.7305 13.7347 13.9071 13.9099 14.1284 14.1310 15.2891 15.2955 16.1855 16.2003 k = 0.1620 0.5000 0.5032 ( 5112 PWs) bands (ev): -44.2102 -44.2102 -23.4861 -23.4861 -20.6551 -20.6524 -20.2514 -20.2483 -13.3224 -13.3224 -7.0030 -6.9957 -6.3517 -6.3442 -3.8650 -3.8639 -3.2597 -3.2587 -1.5586 -1.5565 -0.8502 -0.8449 6.1147 6.1202 6.1632 6.1685 7.7923 7.7957 8.1839 8.2619 8.5704 8.6519 9.5885 9.5889 10.4353 10.4432 11.1471 11.1494 13.7306 13.7352 13.8392 13.8419 14.1288 14.1313 15.3001 15.3071 16.1648 16.1793 k = 0.1745 0.5000 0.5032 ( 5106 PWs) bands (ev): -44.2102 -44.2102 -23.4858 -23.4858 -20.6562 -20.6534 -20.2531 -20.2499 -13.3207 -13.3207 -6.9826 -6.9748 -6.3317 -6.3236 -3.9087 -3.9076 -3.2641 -3.2630 -1.5589 -1.5566 -0.8714 -0.8658 6.1239 6.1264 6.2437 6.2460 7.7257 7.7291 8.2156 8.3029 8.5813 8.6727 9.5760 9.5763 10.3965 10.4053 11.1308 11.1333 13.7318 13.7368 13.7645 13.7671 14.1293 14.1316 15.3146 15.3221 16.1437 16.1577 k = 0.1869 0.5000 0.5032 ( 5118 PWs) bands (ev): -44.2101 -44.2101 -23.4856 -23.4855 -20.6573 -20.6544 -20.2548 -20.2515 -13.3190 -13.3189 -6.9608 -6.9525 -6.3107 -6.3021 -3.9545 -3.9532 -3.2687 -3.2675 -1.5594 -1.5570 -0.8931 -0.8873 6.1281 6.1297 6.3308 6.3323 7.6589 7.6623 8.2474 8.3445 8.5933 8.6953 9.5627 9.5629 10.3562 10.3660 11.1139 11.1165 13.6822 13.6845 13.7355 13.7408 14.1299 14.1319 15.3325 15.3405 16.1223 16.1357 k = 0.1994 0.5000 0.5032 ( 5116 PWs) bands (ev): -44.2101 -44.2101 -23.4853 -23.4853 -20.6585 -20.6554 -20.2566 -20.2532 -13.3171 -13.3171 -6.9378 -6.9290 -6.2889 -6.2797 -4.0020 -4.0006 -3.2734 -3.2722 -1.5600 -1.5575 -0.9151 -0.9090 6.1310 6.1323 6.4216 6.4227 7.5929 7.5964 8.2789 8.3861 8.6066 8.7197 9.5488 9.5489 10.3145 10.3253 11.0964 11.0993 13.5940 13.5964 13.7402 13.7460 14.1305 14.1323 15.3535 15.3620 16.1007 16.1136 k = 0.2119 0.5000 0.5032 ( 5110 PWs) bands (ev): -44.2100 -44.2100 -23.4850 -23.4850 -20.6597 -20.6565 -20.2584 -20.2549 -13.3152 -13.3152 -6.9134 -6.9043 -6.2665 -6.2567 -4.0511 -4.0495 -3.2783 -3.2771 -1.5609 -1.5582 -0.9371 -0.9309 6.1333 6.1343 6.5146 6.5155 7.5291 7.5325 8.3100 8.4274 8.6213 8.7456 9.5344 9.5345 10.2718 10.2837 11.0786 11.0817 13.4996 13.5019 13.7468 13.7530 14.1313 14.1327 15.3775 15.3864 16.0791 16.0915 k = 0.2243 0.5000 0.5032 ( 5114 PWs) bands (ev): -44.2100 -44.2100 -23.4847 -23.4847 -20.6609 -20.6577 -20.2601 -20.2566 -13.3133 -13.3133 -6.8879 -6.8784 -6.2434 -6.2331 -4.1016 -4.0998 -3.2834 -3.2821 -1.5620 -1.5592 -0.9591 -0.9527 6.1348 6.1357 6.6082 6.6091 7.4694 7.4727 8.3404 8.4676 8.6377 8.7730 9.5196 9.5198 10.2280 10.2412 11.0606 11.0638 13.3995 13.4017 13.7555 13.7621 14.1321 14.1332 15.4039 15.4132 16.0575 16.0695 k = 0.2368 0.5000 0.5032 ( 5116 PWs) bands (ev): -44.2099 -44.2099 -23.4844 -23.4844 -20.6621 -20.6589 -20.2619 -20.2583 -13.3114 -13.3113 -6.8613 -6.8513 -6.2200 -6.2092 -4.1531 -4.1511 -3.2886 -3.2873 -1.5634 -1.5605 -0.9808 -0.9743 6.1354 6.1363 6.6997 6.7006 7.4167 7.4198 8.3700 8.5061 8.6561 8.8017 9.5046 9.5050 10.1836 10.1981 11.0423 11.0458 13.2940 13.2962 13.7661 13.7731 14.1329 14.1337 15.4327 15.4422 16.0363 16.0477 k = 0.2493 0.5000 0.5032 ( 5114 PWs) bands (ev): -44.2099 -44.2099 -23.4841 -23.4841 -20.6634 -20.6601 -20.2637 -20.2601 -13.3094 -13.3094 -6.8336 -6.8232 -6.1964 -6.1850 -4.2054 -4.2032 -3.2939 -3.2926 -1.5651 -1.5620 -1.0021 -0.9954 6.1352 6.1359 6.7842 6.7853 7.3763 7.3791 8.3987 8.5422 8.6769 8.8314 9.4896 9.4902 10.1387 10.1547 11.0239 11.0276 13.1836 13.1858 13.7787 13.7861 14.1339 14.1342 15.4633 15.4731 16.0153 16.0263 k = 0.2617 0.5000 0.5032 ( 5116 PWs) bands (ev): -44.2098 -44.2098 -23.4838 -23.4838 -20.6646 -20.6614 -20.2654 -20.2619 -13.3074 -13.3074 -6.8048 -6.7941 -6.1727 -6.1607 -4.2583 -4.2559 -3.2993 -3.2980 -1.5671 -1.5639 -1.0228 -1.0161 6.1338 6.1345 6.8532 6.8546 7.3568 7.3590 8.4266 8.5754 8.7004 8.8617 9.4748 9.4755 10.0935 10.1111 11.0055 11.0095 13.0686 13.0709 13.7933 13.8011 14.1347 14.1349 15.4954 15.5055 15.9948 16.0053 k = 0.2742 0.5000 0.5032 ( 5122 PWs) bands (ev): -44.2097 -44.2097 -23.4835 -23.4835 -20.6658 -20.6626 -20.2671 -20.2636 -13.3055 -13.3054 -6.7752 -6.7641 -6.1490 -6.1366 -4.3115 -4.3090 -3.3048 -3.3035 -1.5693 -1.5661 -1.0428 -1.0360 6.1311 6.1317 6.8956 6.8976 7.3694 7.3709 8.4536 8.6052 8.7264 8.8923 9.4602 9.4612 10.0482 10.0675 10.9873 10.9915 12.9497 12.9520 13.8097 13.8179 14.1353 14.1359 15.5287 15.5390 15.9748 15.9849 k = 0.2866 0.5000 0.5032 ( 5118 PWs) bands (ev): -44.2097 -44.2097 -23.4832 -23.4832 -20.6671 -20.6639 -20.2688 -20.2653 -13.3035 -13.3035 -6.7447 -6.7333 -6.1257 -6.1127 -4.3648 -4.3620 -3.3103 -3.3090 -1.5719 -1.5687 -1.0619 -1.0552 6.1269 6.1275 6.9065 6.9090 7.4192 7.4201 8.4799 8.6320 8.7544 8.9230 9.4462 9.4474 10.0030 10.0243 10.9692 10.9737 12.8271 12.8295 13.8278 13.8364 14.1359 14.1370 15.5628 15.5732 15.9555 15.9652 k = 0.2991 0.5000 0.5032 ( 5120 PWs) bands (ev): -44.2096 -44.2096 -23.4829 -23.4829 -20.6683 -20.6652 -20.2704 -20.2670 -13.3016 -13.3016 -6.7135 -6.7019 -6.1029 -6.0893 -4.4179 -4.4149 -3.3158 -3.3145 -1.5748 -1.5716 -1.0801 -1.0734 6.1211 6.1216 6.8931 6.8958 7.4994 7.4997 8.5054 8.6564 8.7837 8.9532 9.4328 9.4344 9.9582 9.9816 10.9514 10.9562 12.7014 12.7039 13.8474 13.8565 14.1365 14.1382 15.5975 15.6079 15.9368 15.9461 k = 0.3116 0.5000 0.5032 ( 5120 PWs) bands (ev): -44.2096 -44.2096 -23.4827 -23.4826 -20.6694 -20.6665 -20.2719 -20.2686 -13.2998 -13.2997 -6.6818 -6.6698 -6.0807 -6.0666 -4.4705 -4.4673 -3.3213 -3.3200 -1.5780 -1.5748 -1.0971 -1.0906 6.1135 6.1139 6.8664 6.8692 7.5984 7.5985 8.5304 8.6789 8.8133 8.9828 9.4205 9.4223 9.9139 9.9396 10.9338 10.9390 12.5730 12.5756 13.8684 13.8778 14.1371 14.1394 15.6323 15.6427 15.9190 15.9279 k = 0.3240 0.5000 0.5032 ( 5116 PWs) bands (ev): -44.2095 -44.2095 -23.4824 -23.4824 -20.6706 -20.6677 -20.2734 -20.2702 -13.2980 -13.2979 -6.6495 -6.6374 -6.0593 -6.0448 -4.5223 -4.5189 -3.3267 -3.3255 -1.5815 -1.5783 -1.1131 -1.1067 6.1040 6.1044 6.8345 6.8372 7.7083 7.7085 8.5548 8.7001 8.8424 9.0112 9.4093 9.4114 9.8705 9.8985 10.9167 10.9223 12.4424 12.4452 13.8903 13.9002 14.1377 14.1408 15.6669 15.6773 15.9020 15.9106 k = 0.3365 0.5000 0.5032 ( 5114 PWs) bands (ev): -44.2095 -44.2095 -23.4821 -23.4821 -20.6717 -20.6689 -20.2748 -20.2717 -13.2962 -13.2962 -6.6170 -6.6047 -6.0390 -6.0241 -4.5730 -4.5694 -3.3319 -3.3308 -1.5852 -1.5821 -1.1278 -1.1217 6.0927 6.0929 6.8018 6.8043 7.8242 7.8246 8.5788 8.7203 8.8704 9.0383 9.3996 9.4022 9.8280 9.8586 10.9000 10.9060 12.3101 12.3132 13.9130 13.9233 14.1384 14.1422 15.7011 15.7112 15.8860 15.8942 k = 0.3490 0.5000 0.5032 ( 5112 PWs) bands (ev): -44.2094 -44.2094 -23.4819 -23.4819 -20.6727 -20.6701 -20.2761 -20.2731 -13.2945 -13.2945 -6.5844 -6.5719 -6.0199 -6.0046 -4.6224 -4.6185 -3.3371 -3.3360 -1.5891 -1.5861 -1.1413 -1.1354 6.0795 6.0797 6.7706 6.7729 7.9434 7.9440 8.6024 8.7398 8.8970 9.0637 9.3919 9.3948 9.7868 9.8200 10.8837 10.8902 12.1768 12.1802 13.9360 13.9468 14.1392 14.1437 15.7345 15.7442 15.8710 15.8789 k = 0.3614 0.5000 0.5032 ( 5112 PWs) bands (ev): -44.2094 -44.2094 -23.4816 -23.4816 -20.6737 -20.6712 -20.2773 -20.2745 -13.2930 -13.2929 -6.5518 -6.5393 -6.0022 -5.9866 -4.6699 -4.6659 -3.3420 -3.3409 -1.5931 -1.5902 -1.1535 -1.1480 6.0648 6.0649 6.7421 6.7442 8.0636 8.0644 8.6255 8.7586 8.9219 9.0871 9.3865 9.3899 9.7472 9.7830 10.8678 10.8748 12.0431 12.0469 13.9589 13.9702 14.1400 14.1453 15.7667 15.7758 15.8571 15.8649 k = 0.3739 0.5000 0.5032 ( 5102 PWs) bands (ev): -44.2093 -44.2093 -23.4814 -23.4814 -20.6746 -20.6723 -20.2784 -20.2758 -13.2915 -13.2915 -6.5197 -6.5071 -5.9861 -5.9703 -4.7154 -4.7112 -3.3467 -3.3457 -1.5971 -1.5944 -1.1645 -1.1593 6.0489 6.0490 6.7169 6.7188 8.1830 8.1841 8.6483 8.7765 8.9450 9.1082 9.3841 9.3880 9.7095 9.7478 10.8522 10.8599 11.9100 11.9141 13.9814 13.9932 14.1409 14.1471 15.7973 15.8050 15.8445 15.8529 k = 0.3863 0.5000 0.5032 ( 5106 PWs) bands (ev): -44.2093 -44.2093 -23.4812 -23.4812 -20.6755 -20.6733 -20.2794 -20.2770 -13.2901 -13.2901 -6.4881 -6.4758 -5.9716 -5.9559 -4.7583 -4.7541 -3.3511 -3.3502 -1.6011 -1.5986 -1.1742 -1.1695 6.0322 6.0323 6.6951 6.6969 8.2998 8.3011 8.6706 8.7935 8.9663 9.1267 9.3853 9.3898 9.6740 9.7146 10.8368 10.8452 11.7782 11.7829 14.0030 14.0153 14.1420 14.1491 15.8237 15.8259 15.8356 15.8486 k = 0.3988 0.5000 0.5032 ( 5112 PWs) bands (ev): -44.2093 -44.2093 -23.4810 -23.4810 -20.6762 -20.6743 -20.2802 -20.2781 -13.2889 -13.2889 -6.4576 -6.4455 -5.9589 -5.9434 -4.7983 -4.7941 -3.3552 -3.3543 -1.6050 -1.6028 -1.1828 -1.1784 6.0153 6.0154 6.6767 6.6782 8.4119 8.4135 8.6925 8.8090 8.9861 9.1422 9.3912 9.3963 9.6413 9.6835 10.8214 10.8306 11.6493 11.6546 14.0233 14.0360 14.1434 14.1514 15.8205 15.8234 15.8554 15.8667 k = 0.4113 0.5000 0.5032 ( 5114 PWs) bands (ev): -44.2092 -44.2092 -23.4808 -23.4808 -20.6769 -20.6752 -20.2810 -20.2791 -13.2878 -13.2877 -6.4285 -6.4168 -5.9481 -5.9330 -4.8349 -4.8308 -3.3589 -3.3581 -1.6087 -1.6067 -1.1901 -1.1863 5.9987 5.9988 6.6615 6.6628 8.5167 8.5187 8.7138 8.8228 9.0047 9.1544 9.4029 9.4086 9.6119 9.6549 10.8055 10.8156 11.5248 11.5309 14.0418 14.0547 14.1452 14.1540 15.8115 15.8149 15.8800 15.8896 k = 0.4237 0.5000 0.5032 ( 5112 PWs) bands (ev): -44.2092 -44.2092 -23.4807 -23.4807 -20.6775 -20.6760 -20.2817 -20.2800 -13.2868 -13.2867 -6.4012 -6.3902 -5.9390 -5.9247 -4.8678 -4.8639 -3.3622 -3.3615 -1.6121 -1.6103 -1.1964 -1.1930 5.9830 5.9831 6.6491 6.6502 8.6118 8.6140 8.7344 8.8343 9.0223 9.1629 9.4213 9.4276 9.5862 9.6287 10.7887 10.7997 11.4071 11.4140 14.0581 14.0710 14.1477 14.1568 15.8035 15.8067 15.9024 15.9108 k = 0.4362 0.5000 0.5032 ( 5112 PWs) bands (ev): -44.2092 -44.2092 -23.4806 -23.4806 -20.6780 -20.6767 -20.2822 -20.2808 -13.2859 -13.2859 -6.3762 -6.3662 -5.9316 -5.9185 -4.8965 -4.8929 -3.3650 -3.3645 -1.6151 -1.6136 -1.2015 -1.1987 5.9687 5.9688 6.6393 6.6402 8.6942 8.6966 8.7542 8.8430 9.0395 9.1674 9.4471 9.4539 9.5651 9.6053 10.7702 10.7819 11.2993 11.3069 14.0720 14.0843 14.1508 14.1599 15.7966 15.7995 15.9221 15.9293 k = 0.4487 0.5000 0.5032 ( 5102 PWs) bands (ev): -44.2092 -44.2092 -23.4805 -23.4805 -20.6783 -20.6773 -20.2826 -20.2815 -13.2852 -13.2852 -6.3542 -6.3455 -5.9258 -5.9143 -4.9206 -4.9175 -3.3674 -3.3670 -1.6177 -1.6165 -1.2057 -1.2033 5.9563 5.9564 6.6316 6.6324 8.7619 8.7642 8.7729 8.8486 9.0565 9.1676 9.4794 9.4866 9.5490 9.5848 10.7493 10.7614 11.2053 11.2134 14.0833 14.0943 14.1548 14.1631 15.7910 15.7934 15.9388 15.9448 k = 0.4611 0.5000 0.5032 ( 5098 PWs) bands (ev): -44.2092 -44.2092 -23.4804 -23.4804 -20.6786 -20.6778 -20.2829 -20.2820 -13.2846 -13.2846 -6.3358 -6.3286 -5.9212 -5.9119 -4.9398 -4.9373 -3.3693 -3.3690 -1.6198 -1.6188 -1.2088 -1.2070 5.9461 5.9463 6.6260 6.6265 8.7902 8.8137 8.8159 8.8507 9.0735 9.1636 9.5136 9.5225 9.5400 9.5673 10.7263 10.7377 11.1297 11.1375 14.0921 14.1011 14.1592 14.1661 15.7867 15.7885 15.9524 15.9571 k = 0.4736 0.5000 0.5032 ( 5102 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6788 -20.6782 -20.2831 -20.2825 -13.2842 -13.2842 -6.3214 -6.3162 -5.9177 -5.9109 -4.9538 -4.9520 -3.3707 -3.3704 -1.6212 -1.6206 -1.2109 -1.2097 5.9386 5.9387 6.6221 6.6224 8.8059 8.8474 8.8516 8.8516 9.0906 9.1556 9.5267 9.5495 9.5558 9.5600 10.7034 10.7126 11.0755 11.0819 14.0986 14.1050 14.1634 14.1684 15.7836 15.7849 15.9626 15.9658 k = 0.4860 0.5000 0.5032 ( 5090 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6788 -20.6785 -20.2832 -20.2828 -13.2840 -13.2840 -6.3118 -6.3089 -5.9150 -5.9111 -4.9624 -4.9614 -3.3715 -3.3714 -1.6221 -1.6218 -1.2121 -1.2114 5.9338 5.9339 6.6198 6.6200 8.8197 8.8439 8.8719 8.8727 9.1074 9.1444 9.5268 9.5404 9.5810 9.5831 10.6858 10.6914 11.0437 11.0476 14.1030 14.1066 14.1668 14.1697 15.7818 15.7825 15.9692 15.9710 k = 0.4985 0.5000 0.5032 ( 5084 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6788 -20.6787 -20.2831 -20.2830 -13.2839 -13.2839 -6.3073 -6.3068 -5.9130 -5.9122 -4.9655 -4.9653 -3.3718 -3.3718 -1.6224 -1.6223 -1.2124 -1.2123 5.9320 5.9320 6.6190 6.6190 8.8310 8.8358 8.8802 8.8804 9.1233 9.1306 9.5300 9.5327 9.5928 9.5932 10.6793 10.6805 11.0330 11.0337 14.1055 14.1062 14.1689 14.1695 15.7813 15.7814 15.9722 15.9726 k = 0.4985 0.5000 0.5032 ( 5084 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6788 -20.6787 -20.2831 -20.2830 -13.2839 -13.2839 -6.3073 -6.3068 -5.9130 -5.9122 -4.9655 -4.9653 -3.3718 -3.3718 -1.6224 -1.6223 -1.2124 -1.2123 5.9320 5.9320 6.6190 6.6190 8.8310 8.8358 8.8802 8.8804 9.1233 9.1306 9.5300 9.5327 9.5928 9.5932 10.6793 10.6805 11.0330 11.0337 14.1055 14.1062 14.1689 14.1695 15.7813 15.7814 15.9722 15.9726 k = 0.4896 0.4911 0.5032 ( 5098 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6789 -20.6785 -20.2832 -20.2827 -13.2840 -13.2840 -6.3125 -6.3085 -5.9159 -5.9107 -4.9622 -4.9608 -3.3715 -3.3713 -1.6222 -1.6217 -1.2122 -1.2113 5.9340 5.9341 6.6197 6.6200 8.8157 8.8485 8.8713 8.8723 9.1004 9.1504 9.5245 9.5428 9.5793 9.5822 10.6859 10.6935 11.0441 11.0493 14.1022 14.1071 14.1663 14.1701 15.7817 15.7827 15.9686 15.9711 k = 0.4807 0.4821 0.5032 ( 5100 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6789 -20.6781 -20.2832 -20.2823 -13.2843 -13.2842 -6.3228 -6.3156 -5.9197 -5.9103 -4.9532 -4.9507 -3.3707 -3.3703 -1.6213 -1.6204 -1.2110 -1.2093 5.9392 5.9393 6.6219 6.6224 8.7987 8.8493 8.8519 8.8596 9.0761 9.1669 9.5218 9.5502 9.5504 9.5590 10.7072 10.7201 11.0746 11.0835 14.0972 14.1062 14.1621 14.1691 15.7835 15.7854 15.9611 15.9657 k = 0.4718 0.4732 0.5032 ( 5112 PWs) bands (ev): -44.2092 -44.2092 -23.4804 -23.4804 -20.6787 -20.6776 -20.2831 -20.2818 -13.2847 -13.2847 -6.3378 -6.3278 -5.9241 -5.9111 -4.9388 -4.9352 -3.3692 -3.3688 -1.6198 -1.6184 -1.2089 -1.2064 5.9474 5.9476 6.6253 6.6261 8.7801 8.8171 8.8201 8.8668 9.0513 9.1795 9.4971 9.5076 9.5331 9.5733 10.7427 10.7592 11.1223 11.1339 14.0905 14.1034 14.1565 14.1666 15.7866 15.7893 15.9499 15.9565 k = 0.4629 0.4643 0.5032 ( 5116 PWs) bands (ev): -44.2092 -44.2092 -23.4805 -23.4805 -20.6785 -20.6770 -20.2828 -20.2812 -13.2853 -13.2852 -6.3574 -6.3452 -5.9289 -5.9129 -4.9192 -4.9149 -3.3673 -3.3666 -1.6176 -1.6158 -1.2059 -1.2026 5.9586 5.9589 6.6300 6.6310 8.7600 8.7748 8.7784 8.8707 9.0271 9.1877 9.4403 9.4498 9.5411 9.5922 10.7911 10.8095 11.1844 11.1976 14.0821 14.0989 14.1496 14.1625 15.7911 15.7946 15.9351 15.9435 k = 0.4540 0.4554 0.5032 ( 5116 PWs) bands (ev): -44.2092 -44.2092 -23.4806 -23.4806 -20.6782 -20.6763 -20.2824 -20.2804 -13.2860 -13.2860 -6.3813 -6.3674 -5.9337 -5.9155 -4.8950 -4.8900 -3.3648 -3.3640 -1.6148 -1.6126 -1.2020 -1.1979 5.9728 5.9732 6.6358 6.6370 8.7244 8.7283 8.7385 8.8694 9.0050 9.1914 9.3725 9.3818 9.5562 9.6136 10.8505 10.8698 11.2578 11.2719 14.0722 14.0926 14.1413 14.1570 15.7970 15.8011 15.9166 15.9269 k = 0.4451 0.4464 0.5032 ( 5120 PWs) bands (ev): -44.2092 -44.2092 -23.4807 -23.4807 -20.6777 -20.6755 -20.2819 -20.2795 -13.2869 -13.2869 -6.4091 -6.3940 -5.9385 -5.9188 -4.8666 -4.8612 -3.3617 -3.3608 -1.6113 -1.6088 -1.1971 -1.1922 5.9900 5.9905 6.6427 6.6441 8.6673 8.6714 8.7156 8.8614 8.9868 9.1907 9.2974 9.3063 9.5767 9.6375 10.9193 10.9386 11.3400 11.3543 14.0608 14.0847 14.1318 14.1500 15.8042 15.8089 15.8947 15.9067 k = 0.4362 0.4375 0.5032 ( 5120 PWs) bands (ev): -44.2092 -44.2092 -23.4809 -23.4809 -20.6771 -20.6746 -20.2813 -20.2785 -13.2880 -13.2879 -6.4404 -6.4248 -5.9431 -5.9226 -4.8346 -4.8288 -3.3582 -3.3571 -1.6073 -1.6043 -1.1913 -1.1857 6.0100 6.0106 6.6504 6.6520 8.6052 8.6093 8.6913 8.8454 8.9736 9.1861 9.2171 9.2254 9.6019 9.6637 10.9958 11.0147 11.4287 11.4431 14.0481 14.0751 14.1211 14.1417 15.8128 15.8177 15.8694 15.8835 k = 0.4273 0.4286 0.5032 ( 5112 PWs) bands (ev): -44.2093 -44.2093 -23.4811 -23.4810 -20.6765 -20.6736 -20.2806 -20.2774 -13.2891 -13.2891 -6.4750 -6.4591 -5.9475 -5.9268 -4.7994 -4.7935 -3.3541 -3.3528 -1.6026 -1.5992 -1.1846 -1.1783 6.0327 6.0334 6.6589 6.6606 8.5393 8.5433 8.6656 8.8222 8.9647 9.1334 9.1411 9.1781 9.6314 9.6922 11.0787 11.0969 11.5224 11.5365 14.0341 14.0641 14.1095 14.1320 15.8226 15.8258 15.8413 15.8589 k = 0.4184 0.4196 0.5032 ( 5118 PWs) bands (ev): -44.2093 -44.2093 -23.4813 -23.4812 -20.6757 -20.6726 -20.2797 -20.2762 -13.2905 -13.2904 -6.5123 -6.4965 -5.9516 -5.9311 -4.7616 -4.7556 -3.3494 -3.3481 -1.5973 -1.5936 -1.1770 -1.1699 6.0580 6.0589 6.6677 6.6697 8.4707 8.4745 8.6384 8.7934 8.9582 9.0478 9.0549 9.1674 9.6643 9.7229 11.1667 11.1841 11.6198 11.6335 14.0190 14.0516 14.0968 14.1212 15.8086 15.8173 15.8353 15.8492 k = 0.4095 0.4107 0.5032 ( 5114 PWs) bands (ev): -44.2094 -44.2094 -23.4815 -23.4815 -20.6748 -20.6714 -20.2787 -20.2749 -13.2920 -13.2919 -6.5522 -6.5367 -5.9556 -5.9357 -4.7214 -4.7155 -3.3443 -3.3428 -1.5915 -1.5873 -1.1685 -1.1607 6.0857 6.0868 6.6768 6.6789 8.4004 8.4039 8.6098 8.7606 8.9498 8.9614 8.9708 9.1543 9.7003 9.7558 11.2589 11.2755 11.7197 11.7331 14.0030 14.0380 14.0834 14.1092 15.7742 15.7869 15.8482 15.8598 k = 0.4006 0.4018 0.5032 ( 5122 PWs) bands (ev): -44.2094 -44.2094 -23.4817 -23.4817 -20.6738 -20.6701 -20.2777 -20.2735 -13.2936 -13.2935 -6.5941 -6.5792 -5.9595 -5.9403 -4.6793 -4.6735 -3.3387 -3.3371 -1.5850 -1.5805 -1.1591 -1.1507 6.1158 6.1171 6.6857 6.6880 8.3293 8.3323 8.5798 8.7249 8.8753 8.8787 8.9496 9.1393 9.7390 9.7908 11.3544 11.3702 11.8215 11.8345 13.9860 14.0232 14.0692 14.0963 15.7369 15.7510 15.8630 15.8747 k = 0.3917 0.3929 0.5032 ( 5122 PWs) bands (ev): -44.2095 -44.2095 -23.4820 -23.4820 -20.6727 -20.6687 -20.2765 -20.2720 -13.2953 -13.2952 -6.6378 -6.6235 -5.9632 -5.9450 -4.6355 -4.6300 -3.3326 -3.3309 -1.5780 -1.5732 -1.1489 -1.1398 6.1480 6.1494 6.6942 6.6966 8.2580 8.2605 8.5482 8.6868 8.7904 8.7933 8.9432 9.1225 9.7799 9.8279 11.4526 11.4677 11.9244 11.9371 13.9684 14.0075 14.0544 14.0825 15.6968 15.7117 15.8795 15.8917 k = 0.3828 0.3839 0.5032 ( 5118 PWs) bands (ev): -44.2095 -44.2095 -23.4823 -23.4822 -20.6715 -20.6673 -20.2752 -20.2704 -13.2972 -13.2971 -6.6831 -6.6695 -5.9668 -5.9497 -4.5905 -4.5851 -3.3260 -3.3242 -1.5705 -1.5653 -1.1378 -1.1281 6.1820 6.1837 6.7017 6.7042 8.1871 8.1890 8.5152 8.6468 8.7077 8.7096 8.9361 9.1042 9.8228 9.8669 11.5528 11.5673 12.0281 12.0404 13.9503 13.9909 14.0391 14.0680 15.6542 15.6697 15.8977 15.9106 k = 0.3739 0.3750 0.5032 ( 5114 PWs) bands (ev): -44.2096 -44.2096 -23.4826 -23.4825 -20.6703 -20.6657 -20.2737 -20.2687 -13.2992 -13.2991 -6.7296 -6.7167 -5.9704 -5.9544 -4.5443 -4.5392 -3.3190 -3.3171 -1.5625 -1.5570 -1.1259 -1.1156 6.2176 6.2196 6.7078 6.7104 8.1173 8.1184 8.4805 8.6047 8.6280 8.6292 8.9279 9.0846 9.8675 9.9079 11.6546 11.6685 12.1320 12.1440 13.9317 13.9738 14.0235 14.0529 15.6093 15.6251 15.9178 15.9314 k = 0.3650 0.3661 0.5032 ( 5112 PWs) bands (ev): -44.2096 -44.2096 -23.4829 -23.4828 -20.6689 -20.6641 -20.2722 -20.2669 -13.3013 -13.3012 -6.7770 -6.7650 -5.9740 -5.9592 -4.4972 -4.4924 -3.3116 -3.3095 -1.5539 -1.5481 -1.1132 -1.1023 6.2544 6.2566 6.7121 6.7148 8.0489 8.0491 8.4444 8.5501 8.5523 8.5635 8.9184 9.0638 9.9138 9.9506 11.7576 11.7710 12.2359 12.2476 13.9129 13.9561 14.0077 14.0373 15.5622 15.5783 15.9396 15.9542 k = 0.3561 0.3571 0.5032 ( 5114 PWs) bands (ev): -44.2097 -44.2097 -23.4832 -23.4832 -20.6674 -20.6625 -20.2706 -20.2651 -13.3035 -13.3034 -6.8253 -6.8140 -5.9776 -5.9639 -4.4494 -4.4449 -3.3037 -3.3015 -1.5449 -1.5387 -1.0997 -1.0883 6.2920 6.2946 6.7139 6.7167 7.9815 7.9823 8.4067 8.4788 8.4816 8.5179 8.9075 9.0418 9.9616 9.9949 11.8614 11.8743 12.3394 12.3509 13.8940 13.9380 13.9917 14.0214 15.5131 15.5293 15.9634 15.9788 k = 0.3472 0.3482 0.5032 ( 5114 PWs) bands (ev): -44.2097 -44.2097 -23.4835 -23.4835 -20.6659 -20.6607 -20.2689 -20.2632 -13.3058 -13.3057 -6.8742 -6.8636 -5.9813 -5.9687 -4.4011 -4.3969 -3.2953 -3.2931 -1.5353 -1.5290 -1.0855 -1.0736 6.3299 6.3328 6.7128 6.7156 7.9160 7.9180 8.3674 8.4125 8.4167 8.4716 8.8952 9.0188 10.0106 10.0407 11.9657 11.9781 12.4423 12.4536 13.8752 13.9198 13.9759 14.0053 15.4621 15.4785 15.9893 16.0056 k = 0.3383 0.3393 0.5032 ( 5114 PWs) bands (ev): -44.2098 -44.2098 -23.4839 -23.4839 -20.6643 -20.6589 -20.2672 -20.2612 -13.3081 -13.3081 -6.9235 -6.9136 -5.9849 -5.9734 -4.3524 -4.3486 -3.2866 -3.2843 -1.5254 -1.5187 -1.0705 -1.0581 6.3676 6.3707 6.7083 6.7111 7.8531 7.8562 8.3266 8.3528 8.3586 8.4241 8.8815 8.9949 10.0607 10.0880 12.0701 12.0821 12.5444 12.5555 13.8565 13.9014 13.9603 13.9891 15.4096 15.4259 16.0172 16.0344 k = 0.3294 0.3304 0.5032 ( 5114 PWs) bands (ev): -44.2099 -44.2099 -23.4843 -23.4842 -20.6626 -20.6571 -20.2653 -20.2591 -13.3106 -13.3105 -6.9730 -6.9638 -5.9886 -5.9782 -4.3035 -4.2999 -3.2774 -3.2751 -1.5150 -1.5081 -1.0549 -1.0420 6.4040 6.4073 6.6999 6.7028 7.7931 7.7976 8.2843 8.3008 8.3083 8.3753 8.8664 8.9700 10.1119 10.1364 12.1744 12.1860 12.6454 12.6563 13.8382 13.8830 13.9451 13.9731 15.3555 15.3719 16.0472 16.0655 k = 0.3205 0.3214 0.5032 ( 5118 PWs) bands (ev): -44.2100 -44.2100 -23.4847 -23.4846 -20.6608 -20.6552 -20.2634 -20.2570 -13.3132 -13.3131 -7.0226 -7.0141 -5.9924 -5.9830 -4.2545 -4.2512 -3.2679 -3.2655 -1.5043 -1.4971 -1.0385 -1.0253 6.4383 6.4417 6.6875 6.6905 7.7368 7.7426 8.2406 8.2570 8.2662 8.3254 8.8500 8.9443 10.1638 10.1859 12.2783 12.2896 12.7452 12.7560 13.8202 13.8647 13.9303 13.9572 15.3003 15.3165 16.0795 16.0989 k = 0.3116 0.3125 0.5032 ( 5122 PWs) bands (ev): -44.2100 -44.2100 -23.4851 -23.4850 -20.6590 -20.6532 -20.2614 -20.2549 -13.3158 -13.3157 -7.0722 -7.0643 -5.9961 -5.9877 -4.2054 -4.2024 -3.2579 -3.2555 -1.4931 -1.4858 -1.0216 -1.0079 6.4691 6.4724 6.6712 6.6745 7.6850 7.6922 8.1955 8.2220 8.2329 8.2745 8.8323 8.9179 10.2164 10.2362 12.3816 12.3927 12.8435 12.8542 13.8029 13.8466 13.9162 13.9416 15.2439 15.2601 16.1141 16.1346 k = 0.3027 0.3036 0.5032 ( 5122 PWs) bands (ev): -44.2101 -44.2101 -23.4855 -23.4854 -20.6571 -20.6512 -20.2593 -20.2527 -13.3185 -13.3184 -7.1216 -7.1143 -5.9999 -5.9924 -4.1566 -4.1538 -3.2475 -3.2451 -1.4816 -1.4741 -1.0040 -0.9900 6.4944 6.4972 6.6516 6.6554 7.6390 7.6475 8.1491 8.1955 8.2087 8.2230 8.8134 8.8907 10.2694 10.2873 12.4841 12.4949 12.9403 12.9510 13.7862 13.8289 13.9028 13.9265 15.1868 15.2028 16.1511 16.1728 k = 0.2938 0.2946 0.5032 ( 5114 PWs) bands (ev): -44.2102 -44.2102 -23.4859 -23.4858 -20.6552 -20.6492 -20.2572 -20.2505 -13.3212 -13.3211 -7.1707 -7.1639 -6.0038 -5.9971 -4.1080 -4.1055 -3.2367 -3.2343 -1.4698 -1.4622 -0.9859 -0.9716 6.5116 6.5133 6.6300 6.6351 7.6000 7.6098 8.1014 8.1662 8.1824 8.1932 8.7934 8.8629 10.3228 10.3388 12.5855 12.5960 13.0355 13.0461 13.7702 13.8116 13.8903 13.9120 15.1290 15.1448 16.1905 16.2135 k = 0.2849 0.2857 0.5032 ( 5118 PWs) bands (ev): -44.2103 -44.2103 -23.4863 -23.4863 -20.6532 -20.6471 -20.2550 -20.2482 -13.3240 -13.3239 -7.2194 -7.2131 -6.0077 -6.0018 -4.0598 -4.0576 -3.2256 -3.2231 -1.4577 -1.4499 -0.9673 -0.9528 6.5162 6.5166 6.6093 6.6164 7.5697 7.5807 8.0526 8.1141 8.1722 8.1863 8.7723 8.8345 10.3764 10.3908 12.6855 12.6959 13.1287 13.1394 13.7551 13.7948 13.8787 13.8981 15.0709 15.0865 16.2325 16.2568 k = 0.2760 0.2768 0.5032 ( 5122 PWs) bands (ev): -44.2103 -44.2103 -23.4867 -23.4867 -20.6512 -20.6451 -20.2528 -20.2459 -13.3268 -13.3267 -7.2676 -7.2618 -6.0115 -6.0064 -4.0121 -4.0101 -3.2139 -3.2115 -1.4454 -1.4375 -0.9482 -0.9335 6.5031 6.5056 6.5924 6.6015 7.5494 7.5617 8.0028 8.0596 8.1716 8.1873 8.7501 8.8055 10.4300 10.4429 12.7840 12.7942 13.2200 13.2307 13.7408 13.7787 13.8680 13.8849 15.0127 15.0281 16.2769 16.3028 k = 0.2671 0.2679 0.5032 ( 5124 PWs) bands (ev): -44.2104 -44.2104 -23.4871 -23.4871 -20.6492 -20.6430 -20.2506 -20.2436 -13.3296 -13.3295 -7.3152 -7.3099 -6.0154 -6.0110 -3.9651 -3.9633 -3.2019 -3.1994 -1.4328 -1.4248 -0.9287 -0.9138 6.4765 6.4800 6.5775 6.5875 7.5401 7.5537 7.9520 8.0044 8.1784 8.1954 8.7270 8.7761 10.4834 10.4950 12.8807 12.8908 13.3093 13.3200 13.7276 13.7632 13.8585 13.8725 14.9548 14.9698 16.3239 16.3515 k = 0.2582 0.2589 0.5032 ( 5128 PWs) bands (ev): -44.2105 -44.2105 -23.4876 -23.4875 -20.6471 -20.6409 -20.2483 -20.2413 -13.3325 -13.3324 -7.3621 -7.3572 -6.0193 -6.0155 -3.9188 -3.9173 -3.1894 -3.1869 -1.4200 -1.4119 -0.9088 -0.8938 6.4414 6.4454 6.5592 6.5696 7.5423 7.5572 7.9005 7.9486 8.1916 8.2099 8.7031 8.7464 10.5365 10.5469 12.9754 12.9853 13.3962 13.4071 13.7153 13.7484 13.8500 13.8611 14.8973 14.9120 16.3733 16.4029 k = 0.2493 0.2500 0.5032 ( 5120 PWs) bands (ev): -44.2106 -44.2106 -23.4880 -23.4880 -20.6450 -20.6388 -20.2460 -20.2390 -13.3353 -13.3352 -7.4082 -7.4037 -6.0232 -6.0200 -3.8735 -3.8721 -3.1763 -3.1740 -1.4071 -1.3989 -0.8886 -0.8735 6.4014 6.4057 6.5348 6.5452 7.5555 7.5717 7.8483 7.8924 8.2104 8.2300 8.6784 8.7163 10.5891 10.5984 13.0677 13.0774 13.4809 13.4920 13.7040 13.7345 13.8426 13.8505 14.8407 14.8550 16.4252 16.4571 k = 0.2404 0.2411 0.5032 ( 5120 PWs) bands (ev): -44.2107 -44.2107 -23.4884 -23.4884 -20.6429 -20.6367 -20.2436 -20.2367 -13.3382 -13.3381 -7.4534 -7.4492 -6.0271 -6.0244 -3.8293 -3.8281 -3.1628 -3.1605 -1.3940 -1.3859 -0.8682 -0.8531 6.3584 6.3630 6.5036 6.5142 7.5787 7.5962 7.7956 7.8361 8.2341 8.2549 8.6531 8.6861 10.6411 10.6494 13.1573 13.1669 13.5631 13.5744 13.6939 13.7214 13.8363 13.8410 14.7854 14.7991 16.4793 16.5138 k = 0.2314 0.2321 0.5032 ( 5120 PWs) bands (ev): -44.2107 -44.2107 -23.4889 -23.4888 -20.6408 -20.6346 -20.2413 -20.2345 -13.3410 -13.3409 -7.4976 -7.4938 -6.0309 -6.0288 -3.7862 -3.7852 -3.1487 -3.1465 -1.3808 -1.3727 -0.8476 -0.8325 6.3136 6.3186 6.4666 6.4772 7.6104 7.6293 7.7427 7.7796 8.2617 8.2838 8.6273 8.6557 10.6922 10.6997 13.2439 13.2534 13.6426 13.6543 13.6848 13.7093 13.8311 13.8324 14.7318 14.7450 16.5350 16.5725 k = 0.2225 0.2232 0.5032 ( 5120 PWs) bands (ev): -44.2108 -44.2108 -23.4893 -23.4893 -20.6387 -20.6326 -20.2390 -20.2322 -13.3439 -13.3438 -7.5408 -7.5374 -6.0347 -6.0330 -3.7445 -3.7437 -3.1341 -3.1319 -1.3676 -1.3595 -0.8268 -0.8118 6.2678 6.2731 6.4248 6.4355 7.6491 7.6692 7.6896 7.7234 8.2927 8.3161 8.6010 8.6253 10.7424 10.7491 13.3270 13.3364 13.6766 13.6981 13.7194 13.7316 13.8250 13.8270 14.6806 14.6930 16.5901 16.6215 k = 0.2136 0.2143 0.5032 ( 5120 PWs) bands (ev): -44.2109 -44.2109 -23.4897 -23.4897 -20.6365 -20.6305 -20.2367 -20.2300 -13.3467 -13.3466 -7.5829 -7.5798 -6.0385 -6.0372 -3.7044 -3.7037 -3.1188 -3.1167 -1.3544 -1.3463 -0.8060 -0.7911 6.2216 6.2272 6.3796 6.3904 7.6364 7.6668 7.6935 7.7155 8.3264 8.3512 8.5744 8.5949 10.7914 10.7974 13.4062 13.4153 13.6696 13.6878 13.7933 13.8058 13.8189 13.8242 14.6323 14.6438 16.6104 16.6316 k = 0.2047 0.2054 0.5032 ( 5120 PWs) bands (ev): -44.2110 -44.2110 -23.4901 -23.4901 -20.6344 -20.6285 -20.2343 -20.2278 -13.3494 -13.3493 -7.6239 -7.6210 -6.0422 -6.0412 -3.6658 -3.6653 -3.1029 -3.1009 -1.3412 -1.3332 -0.7852 -0.7704 6.1754 6.1814 6.3321 6.3429 7.5836 7.6113 7.7422 7.7655 8.3621 8.3884 8.5475 8.5647 10.8392 10.8446 13.4807 13.4895 13.6637 13.6786 13.8131 13.8218 13.8646 13.8778 14.5878 14.5981 16.5882 16.6285 k = 0.1958 0.1964 0.5032 ( 5128 PWs) bands (ev): -44.2111 -44.2111 -23.4906 -23.4905 -20.6324 -20.6266 -20.2321 -20.2256 -13.3522 -13.3521 -7.6635 -7.6609 -6.0458 -6.0451 -3.6291 -3.6287 -3.0864 -3.0844 -1.3280 -1.3201 -0.7644 -0.7499 6.1296 6.1359 6.2831 6.2941 7.5311 7.5563 7.7941 7.8189 8.3995 8.4271 8.5206 8.5348 10.8856 10.8905 13.5496 13.5581 13.6587 13.6704 13.8088 13.8208 13.9322 13.9463 14.5482 14.5570 16.5635 16.6048 k = 0.1869 0.1875 0.5032 ( 5124 PWs) bands (ev): -44.2111 -44.2111 -23.4910 -23.4909 -20.6303 -20.6246 -20.2298 -20.2235 -13.3548 -13.3547 -7.7019 -7.6995 -6.0493 -6.0490 -3.5943 -3.5940 -3.0691 -3.0673 -1.3150 -1.3072 -0.7438 -0.7295 6.0845 6.0911 6.2336 6.2447 7.4792 7.5020 7.8485 7.8747 8.4379 8.4669 8.4938 8.5053 10.9305 10.9349 13.6118 13.6198 13.6551 13.6633 13.8056 13.8207 13.9966 14.0117 14.5146 14.5216 16.5368 16.5759 k = 0.1780 0.1786 0.5032 ( 5128 PWs) bands (ev): -44.2112 -44.2112 -23.4914 -23.4913 -20.6283 -20.6228 -20.2276 -20.2214 -13.3574 -13.3573 -7.7389 -7.7367 -6.0528 -6.0526 -3.5615 -3.5614 -3.0513 -3.0495 -1.3021 -1.2945 -0.7234 -0.7094 6.0404 6.0474 6.1842 6.1953 7.4280 7.4487 7.9044 7.9321 8.4670 8.4760 8.4770 8.5076 10.9738 10.9777 13.6493 13.6558 13.6693 13.6749 13.8034 13.8215 14.0575 14.0736 14.4886 14.4932 16.5083 16.5444 k = 0.1691 0.1696 0.5032 ( 5136 PWs) bands (ev): -44.2113 -44.2113 -23.4917 -23.4917 -20.6263 -20.6209 -20.2254 -20.2194 -13.3600 -13.3599 -7.7744 -7.7725 -6.0562 -6.0561 -3.5308 -3.5308 -3.0328 -3.0312 -1.2895 -1.2820 -0.7034 -0.6897 5.9975 6.0048 6.1352 6.1465 7.3778 7.3965 7.9614 7.9906 8.4406 8.4476 8.5161 8.5482 11.0154 11.0189 13.6481 13.6511 13.7138 13.7186 13.8023 13.8232 14.1149 14.1320 14.4715 14.4734 16.4782 16.5109 k = 0.1602 0.1607 0.5032 ( 5136 PWs) bands (ev): -44.2113 -44.2113 -23.4921 -23.4921 -20.6244 -20.6192 -20.2233 -20.2175 -13.3624 -13.3623 -7.8085 -7.8068 -6.0596 -6.0593 -3.5024 -3.5023 -3.0138 -3.0123 -1.2771 -1.2698 -0.6836 -0.6704 5.9560 5.9636 6.0873 6.0986 7.3288 7.3456 8.0189 8.0495 8.4146 8.4197 8.5551 8.5886 11.0552 11.0583 13.6466 13.6467 13.7489 13.7519 13.8024 13.8257 14.1687 14.1868 14.4636 14.4647 16.4466 16.4759 k = 0.1513 0.1518 0.5032 ( 5128 PWs) bands (ev): -44.2114 -44.2114 -23.4925 -23.4924 -20.6225 -20.6175 -20.2212 -20.2156 -13.3648 -13.3647 -7.8410 -7.8395 -6.0629 -6.0624 -3.4761 -3.4759 -2.9944 -2.9930 -1.2650 -1.2580 -0.6644 -0.6515 5.9162 5.9241 6.0406 6.0520 7.2811 7.2963 8.0764 8.1085 8.3892 8.3927 8.5935 8.6284 11.0930 11.0958 13.6431 13.6456 13.7724 13.7738 13.8040 13.8291 14.2195 14.2380 14.4644 14.4684 16.4138 16.4396 k = 0.1424 0.1429 0.5032 ( 5126 PWs) bands (ev): -44.2115 -44.2115 -23.4928 -23.4928 -20.6206 -20.6159 -20.2192 -20.2139 -13.3671 -13.3670 -7.8720 -7.8706 -6.0660 -6.0654 -3.4520 -3.4517 -2.9746 -2.9734 -1.2532 -1.2464 -0.6456 -0.6332 5.8780 5.8862 5.9955 6.0070 7.2350 7.2486 8.1335 8.1669 8.3644 8.3665 8.6310 8.6672 11.1290 11.1315 13.6404 13.6452 13.7846 13.7847 13.8069 13.8328 14.2676 14.2859 14.4754 14.4818 16.3799 16.4024 k = 0.1335 0.1339 0.5032 ( 5124 PWs) bands (ev): -44.2115 -44.2115 -23.4931 -23.4931 -20.6189 -20.6144 -20.2172 -20.2122 -13.3692 -13.3692 -7.9013 -7.9000 -6.0689 -6.0683 -3.4300 -3.4297 -2.9548 -2.9536 -1.2418 -1.2354 -0.6275 -0.6156 5.8418 5.8503 5.9522 5.9638 7.1906 7.2028 8.1899 8.2246 8.3404 8.3414 8.6672 8.7047 11.1629 11.1651 13.6384 13.6452 13.7866 13.7880 13.8095 13.8363 14.3137 14.3311 14.4950 14.5029 16.3453 16.3647 k = 0.1246 0.1250 0.5032 ( 5124 PWs) bands (ev): -44.2116 -44.2116 -23.4935 -23.4934 -20.6172 -20.6129 -20.2154 -20.2106 -13.3713 -13.3712 -7.9289 -7.9278 -6.0717 -6.0710 -3.4100 -3.4096 -2.9349 -2.9338 -1.2309 -1.2247 -0.6100 -0.5987 5.8076 5.8163 5.9108 5.9225 7.1481 7.1590 8.2452 8.2810 8.3172 8.3173 8.7018 8.7404 11.1947 11.1967 13.6372 13.6456 13.7814 13.7850 13.8112 13.8397 14.3581 14.3742 14.5206 14.5293 16.3102 16.3268 k = 0.1157 0.1161 0.5032 ( 5128 PWs) bands (ev): -44.2117 -44.2117 -23.4938 -23.4937 -20.6156 -20.6115 -20.2136 -20.2091 -13.3733 -13.3732 -7.9548 -7.9538 -6.0743 -6.0735 -3.3920 -3.3916 -2.9153 -2.9143 -1.2204 -1.2146 -0.5933 -0.5826 5.7755 5.7845 5.8717 5.8833 7.1077 7.1173 8.2942 8.2951 8.2994 8.3359 8.7346 8.7741 11.2245 11.2262 13.6365 13.6464 13.7710 13.7765 13.8133 13.8430 14.4008 14.4154 14.5499 14.5587 16.2751 16.2890 k = 0.1068 0.1071 0.5032 ( 5124 PWs) bands (ev): -44.2117 -44.2117 -23.4940 -23.4940 -20.6140 -20.6103 -20.2119 -20.2077 -13.3751 -13.3750 -7.9789 -7.9780 -6.0767 -6.0759 -3.3758 -3.3754 -2.8961 -2.8953 -1.2105 -1.2051 -0.5774 -0.5674 5.7456 5.7548 5.8347 5.8464 7.0695 7.0781 8.2729 8.2741 8.3513 8.3889 8.7652 8.8055 11.2521 11.2536 13.6365 13.6474 13.7571 13.7637 13.8162 13.8464 14.4419 14.4549 14.5806 14.5892 16.2403 16.2519 k = 0.0979 0.0982 0.5032 ( 5128 PWs) bands (ev): -44.2118 -44.2118 -23.4943 -23.4943 -20.6126 -20.6091 -20.2103 -20.2064 -13.3768 -13.3768 -8.0013 -8.0005 -6.0789 -6.0781 -3.3613 -3.3609 -2.8776 -2.8769 -1.2012 -1.1961 -0.5625 -0.5532 5.7181 5.7275 5.8002 5.8119 7.0337 7.0413 8.2527 8.2544 8.4014 8.4396 8.7936 8.8344 11.2775 11.2789 13.6369 13.6486 13.7413 13.7485 13.8198 13.8498 14.4809 14.4924 14.6114 14.6195 16.2062 16.2158 k = 0.0890 0.0893 0.5032 ( 5120 PWs) bands (ev): -44.2118 -44.2118 -23.4945 -23.4945 -20.6112 -20.6080 -20.2089 -20.2053 -13.3784 -13.3783 -8.0218 -8.0211 -6.0810 -6.0802 -3.3485 -3.3481 -2.8600 -2.8593 -1.1925 -1.1878 -0.5485 -0.5399 5.6929 5.7025 5.7682 5.7798 7.0005 7.0072 8.2340 8.2359 8.4493 8.4878 8.8195 8.8605 11.3008 11.3020 13.6378 13.6498 13.7247 13.7320 13.8240 13.8532 14.5175 14.5278 14.6411 14.6488 16.1733 16.1812 k = 0.0801 0.0804 0.5032 ( 5120 PWs) bands (ev): -44.2118 -44.2118 -23.4948 -23.4947 -20.6100 -20.6071 -20.2075 -20.2042 -13.3798 -13.3798 -8.0404 -8.0398 -6.0828 -6.0821 -3.3373 -3.3369 -2.8434 -2.8428 -1.1845 -1.1802 -0.5356 -0.5278 5.6702 5.6799 5.7387 5.7503 6.9701 6.9759 8.2169 8.2189 8.4947 8.5330 8.8429 8.8835 11.3218 11.3229 13.6390 13.6510 13.7083 13.7155 13.8284 13.8563 14.5515 14.5606 14.6692 14.6763 16.1419 16.1483 k = 0.0712 0.0714 0.5032 ( 5120 PWs) bands (ev): -44.2119 -44.2119 -23.4950 -23.4949 -20.6088 -20.6062 -20.2062 -20.2033 -13.3811 -13.3811 -8.0572 -8.0566 -6.0845 -6.0838 -3.3274 -3.3271 -2.8281 -2.8276 -1.1771 -1.1733 -0.5238 -0.5168 5.6501 5.6598 5.7120 5.7233 6.9425 6.9475 8.2013 8.2035 8.5372 8.5749 8.8636 8.9035 11.3407 11.3416 13.6405 13.6520 13.6927 13.6996 13.8330 13.8592 14.5825 14.5905 14.6951 14.7016 16.1126 16.1178 k = 0.0623 0.0625 0.5032 ( 5120 PWs) bands (ev): -44.2119 -44.2119 -23.4951 -23.4951 -20.6078 -20.6055 -20.2051 -20.2025 -13.3823 -13.3823 -8.0720 -8.0716 -6.0859 -6.0853 -3.3190 -3.3186 -2.8142 -2.8137 -1.1706 -1.1672 -0.5132 -0.5069 5.6325 5.6422 5.6880 5.6991 6.9178 6.9221 8.1875 8.1896 8.5765 8.6130 8.8817 8.9201 11.3573 11.3581 13.6421 13.6529 13.6783 13.6848 13.8376 13.8616 14.6104 14.6175 14.7185 14.7244 16.0857 16.0898 k = 0.0534 0.0536 0.5032 ( 5116 PWs) bands (ev): -44.2119 -44.2119 -23.4953 -23.4953 -20.6068 -20.6049 -20.2040 -20.2018 -13.3833 -13.3833 -8.0849 -8.0845 -6.0872 -6.0866 -3.3118 -3.3115 -2.8018 -2.8014 -1.1647 -1.1618 -0.5038 -0.4984 5.6176 5.6270 5.6669 5.6776 6.8963 6.8998 8.1754 8.1773 8.6124 8.6469 8.8973 8.9335 11.3718 11.3724 13.6437 13.6534 13.6657 13.6716 13.8422 13.8636 14.6350 14.6411 14.7392 14.7445 16.0616 16.0648 k = 0.0445 0.0446 0.5032 ( 5108 PWs) bands (ev): -44.2120 -44.2120 -23.4954 -23.4954 -20.6060 -20.6044 -20.2031 -20.2013 -13.3842 -13.3841 -8.0958 -8.0955 -6.0883 -6.0878 -3.3058 -3.3055 -2.7911 -2.7908 -1.1597 -1.1573 -0.4957 -0.4912 5.6053 5.6143 5.6488 5.6589 6.8779 6.8808 8.1651 8.1669 8.6445 8.6761 8.9105 8.9436 11.3840 11.3845 13.6448 13.6526 13.6553 13.6613 13.8466 13.8650 14.6561 14.6612 14.7571 14.7616 16.0406 16.0431 k = 0.0356 0.0357 0.5032 ( 5104 PWs) bands (ev): -44.2120 -44.2120 -23.4955 -23.4955 -20.6053 -20.6040 -20.2023 -20.2008 -13.3849 -13.3849 -8.1048 -8.1046 -6.0891 -6.0887 -3.3009 -3.3007 -2.7822 -2.7819 -1.1555 -1.1536 -0.4889 -0.4853 5.5956 5.6040 5.6339 5.6431 6.8628 6.8651 8.1567 8.1582 8.6725 8.7000 8.9217 8.9505 11.3940 11.3944 13.6429 13.6473 13.6501 13.6570 13.8507 13.8659 14.6736 14.6778 14.7719 14.7756 16.0230 16.0249 k = 0.0267 0.0268 0.5032 ( 5108 PWs) bands (ev): -44.2120 -44.2120 -23.4956 -23.4956 -20.6047 -20.6037 -20.2017 -20.2006 -13.3854 -13.3854 -8.1118 -8.1116 -6.0898 -6.0895 -3.2972 -3.2970 -2.7752 -2.7750 -1.1522 -1.1507 -0.4835 -0.4807 5.5886 5.5958 5.6224 5.6303 6.8510 6.8527 8.1502 8.1513 8.6959 8.7182 8.9312 8.9544 11.4018 11.4021 13.6371 13.6402 13.6505 13.6562 13.8545 13.8661 14.6874 14.6906 14.7837 14.7865 16.0091 16.0104 k = 0.0178 0.0179 0.5032 ( 5092 PWs) bands (ev): -44.2120 -44.2120 -23.4957 -23.4957 -20.6042 -20.6036 -20.2012 -20.2004 -13.3858 -13.3858 -8.1168 -8.1167 -6.0902 -6.0900 -3.2946 -3.2944 -2.7701 -2.7700 -1.1497 -1.1487 -0.4795 -0.4776 5.5842 5.5895 5.6146 5.6204 6.8426 6.8438 8.1455 8.1463 8.7144 8.7302 8.9391 8.9555 11.4073 11.4075 13.6325 13.6346 13.6518 13.6557 13.8579 13.8657 14.6976 14.6997 14.7923 14.7942 15.9991 15.9999 k = 0.0089 0.0089 0.5032 ( 5088 PWs) bands (ev): -44.2120 -44.2120 -23.4957 -23.4957 -20.6039 -20.6036 -20.2008 -20.2004 -13.3861 -13.3861 -8.1198 -8.1197 -6.0905 -6.0904 -3.2930 -3.2929 -2.7670 -2.7669 -1.1482 -1.1477 -0.4769 -0.4759 5.5822 5.5851 5.6106 5.6137 6.8377 6.8383 8.1428 8.1432 8.7275 8.7357 8.9457 8.9542 11.4107 11.4108 13.6299 13.6309 13.6530 13.6550 13.8607 13.8647 14.7039 14.7049 14.7977 14.7986 15.9931 15.9935 k = 0.0000 0.0000 0.5032 ( 5090 PWs) bands (ev): -44.2120 -44.2120 -23.4957 -23.4957 -20.6037 -20.6037 -20.2005 -20.2005 -13.3861 -13.3861 -8.1208 -8.1208 -6.0906 -6.0906 -3.2924 -3.2924 -2.7660 -2.7660 -1.1475 -1.1475 -0.4757 -0.4757 5.5826 5.5826 5.6104 5.6104 6.8363 6.8363 8.1420 8.1420 8.7347 8.7347 8.9508 8.9508 11.4118 11.4118 13.6294 13.6294 13.6541 13.6541 13.8630 13.8630 14.7063 14.7063 14.7998 14.7998 15.9912 15.9912 k = 0.0000 0.0000 0.5032 ( 5090 PWs) bands (ev): -44.2120 -44.2120 -23.4957 -23.4957 -20.6037 -20.6037 -20.2005 -20.2005 -13.3861 -13.3861 -8.1208 -8.1208 -6.0906 -6.0906 -3.2924 -3.2924 -2.7660 -2.7660 -1.1475 -1.1475 -0.4757 -0.4757 5.5826 5.5826 5.6104 5.6104 6.8363 6.8363 8.1420 8.1420 8.7347 8.7347 8.9508 8.9508 11.4118 11.4118 13.6294 13.6294 13.6541 13.6541 13.8630 13.8630 14.7063 14.7063 14.7998 14.7998 15.9912 15.9912 k = 0.0000 0.0000 0.4906 ( 5088 PWs) bands (ev): -44.2120 -44.2120 -23.4950 -23.4945 -20.6039 -20.6035 -20.2006 -20.2006 -13.3912 -13.3903 -8.1204 -8.1203 -6.0906 -6.0906 -3.2943 -3.2836 -2.7696 -2.7604 -1.1552 -1.1351 -0.4749 -0.4746 5.5828 5.5828 5.6106 5.6106 6.8375 6.8379 8.1431 8.1432 8.7348 8.7349 8.9509 8.9509 11.4120 11.4122 13.6225 13.6288 13.6465 13.6482 13.8525 13.8541 14.7065 14.7067 14.8000 14.8001 15.9904 15.9908 k = 0.0000 0.0000 0.4780 ( 5094 PWs) bands (ev): -44.2120 -44.2120 -23.4923 -23.4914 -20.6042 -20.6034 -20.2007 -20.2007 -13.4054 -13.4035 -8.1192 -8.1191 -6.0908 -6.0908 -3.2893 -3.2683 -2.7714 -2.7527 -1.1584 -1.1183 -0.4724 -0.4718 5.5834 5.5835 5.6112 5.6112 6.8417 6.8425 8.1464 8.1465 8.7350 8.7353 8.9511 8.9512 11.4127 11.4130 13.5977 13.6144 13.6356 13.6364 13.8229 13.8263 14.7073 14.7076 14.8006 14.8008 15.9881 15.9889 k = 0.0000 0.0000 0.4654 ( 5094 PWs) bands (ev): -44.2120 -44.2119 -23.4876 -23.4863 -20.6046 -20.6034 -20.2010 -20.2009 -13.4286 -13.4258 -8.1172 -8.1171 -6.0911 -6.0911 -3.2774 -3.2471 -2.7715 -2.7425 -1.1570 -1.0968 -0.4681 -0.4672 5.5845 5.5845 5.6122 5.6122 6.8488 6.8500 8.1519 8.1520 8.7355 8.7359 8.9516 8.9517 11.4139 11.4143 13.5504 13.5737 13.6287 13.6296 13.7753 13.7810 14.7084 14.7089 14.8017 14.8019 15.9845 15.9856 k = 0.0000 0.0000 0.4529 ( 5094 PWs) bands (ev): -44.2120 -44.2119 -23.4810 -23.4793 -20.6050 -20.6035 -20.2013 -20.2012 -13.4605 -13.4568 -8.1146 -8.1144 -6.0915 -6.0915 -3.2592 -3.2210 -2.7698 -2.7291 -1.1508 -1.0707 -0.4621 -0.4607 5.5859 5.5859 5.6137 5.6137 6.8587 6.8603 8.1596 8.1597 8.7362 8.7368 8.9523 8.9523 11.4156 11.4161 13.4853 13.5142 13.6190 13.6235 13.7113 13.7212 14.7098 14.7104 14.8029 14.8033 15.9793 15.9806 k = 0.0000 0.0000 0.4403 ( 5102 PWs) bands (ev): -44.2119 -44.2118 -23.4726 -23.4704 -20.6055 -20.6036 -20.2017 -20.2016 -13.5007 -13.4962 -8.1113 -8.1110 -6.0920 -6.0920 -3.2353 -3.1910 -2.7659 -2.7117 -1.1397 -1.0399 -0.4543 -0.4525 5.5878 5.5878 5.6155 5.6155 6.8715 6.8735 8.1694 8.1696 8.7371 8.7379 8.9531 8.9532 11.4177 11.4184 13.4051 13.4393 13.5964 13.6103 13.6385 13.6582 14.7113 14.7119 14.8043 14.8047 15.9333 15.9351 k = 0.0000 0.0000 0.4277 ( 5106 PWs) bands (ev): -44.2119 -44.2118 -23.4622 -23.4597 -20.6061 -20.6038 -20.2022 -20.2021 -13.5489 -13.5436 -8.1074 -8.1071 -6.0927 -6.0927 -3.2065 -3.1588 -2.7596 -2.6896 -1.1234 -1.0043 -0.4449 -0.4424 5.5901 5.5901 5.6177 5.6178 6.8872 6.8896 8.1813 8.1815 8.7383 8.7392 8.9542 8.9543 11.4203 11.4211 13.3121 13.3511 13.5295 13.5343 13.6140 13.6252 14.7127 14.7135 14.8057 14.8060 15.8070 15.8120 k = 0.0000 0.0000 0.4151 ( 5130 PWs) bands (ev): -44.2118 -44.2117 -23.4501 -23.4471 -20.6067 -20.6041 -20.2028 -20.2026 -13.6045 -13.5986 -8.1032 -8.1028 -6.0934 -6.0934 -3.1742 -3.1261 -2.7503 -2.6618 -1.1018 -0.9638 -0.4338 -0.4306 5.5928 5.5928 5.6204 5.6205 6.9056 6.9084 8.1952 8.1955 8.7397 8.7408 8.9554 8.9556 11.4233 11.4242 13.2082 13.2514 13.4312 13.4317 13.6042 13.6106 14.7140 14.7149 14.8070 14.8074 15.6741 15.6820 k = 0.0000 0.0000 0.4025 ( 5130 PWs) bands (ev): -44.2117 -44.2116 -23.4361 -23.4328 -20.6074 -20.6044 -20.2034 -20.2033 -13.6671 -13.6606 -8.0985 -8.0981 -6.0943 -6.0943 -3.1397 -3.0946 -2.7372 -2.6274 -1.0746 -0.9183 -0.4210 -0.4168 5.5959 5.5959 5.6235 5.6237 6.9268 6.9299 8.2112 8.2116 8.7414 8.7427 8.9570 8.9571 11.4267 11.4278 13.0953 13.1422 13.3178 13.3207 13.5940 13.5986 14.7152 14.7161 14.8083 14.8086 15.5357 15.5465 k = 0.0000 0.0000 0.3900 ( 5122 PWs) bands (ev): -44.2116 -44.2115 -23.4204 -23.4167 -20.6081 -20.6048 -20.2041 -20.2040 -13.7360 -13.7289 -8.0937 -8.0932 -6.0953 -6.0952 -3.1049 -3.0657 -2.7192 -2.5859 -1.0413 -0.8679 -0.4065 -0.4010 5.5994 5.5994 5.6271 5.6273 6.9506 6.9541 8.2292 8.2296 8.7434 8.7448 8.9587 8.9589 11.4304 11.4317 12.9752 13.0252 13.1963 13.2008 13.5830 13.5866 14.7162 14.7171 14.8093 14.8096 15.3929 15.4064 k = 0.0000 0.0000 0.3774 ( 5122 PWs) bands (ev): -44.2115 -44.2114 -23.4031 -23.3990 -20.6089 -20.6052 -20.2049 -20.2048 -13.8105 -13.8031 -8.0887 -8.0882 -6.0963 -6.0963 -3.0715 -3.0402 -2.6955 -2.5377 -1.0016 -0.8126 -0.3905 -0.3832 5.6033 5.6034 5.6310 5.6314 6.9771 6.9809 8.2490 8.2494 8.7458 8.7473 8.9608 8.9610 11.4344 11.4360 12.8492 12.9018 13.0684 13.0740 13.5712 13.5741 14.7169 14.7179 14.8103 14.8106 15.2463 15.2623 k = 0.0000 0.0000 0.3648 ( 5138 PWs) bands (ev): -44.2114 -44.2113 -23.3841 -23.3797 -20.6097 -20.6057 -20.2058 -20.2056 -13.8902 -13.8824 -8.0836 -8.0830 -6.0974 -6.0974 -3.0413 -3.0187 -2.6651 -2.4833 -0.9552 -0.7525 -0.3728 -0.3629 5.6076 5.6078 5.6355 5.6360 7.0060 7.0102 8.2706 8.2711 8.7484 8.7502 8.9631 8.9634 11.4387 11.4404 12.7189 12.7736 12.9354 12.9419 13.5585 13.5610 14.7174 14.7184 14.8110 14.8113 15.0966 15.1150 k = 0.0000 0.0000 0.3522 ( 5138 PWs) bands (ev): -44.2113 -44.2112 -23.3636 -23.3588 -20.6105 -20.6062 -20.2067 -20.2065 -13.9744 -13.9663 -8.0786 -8.0780 -6.0986 -6.0986 -3.0153 -3.0008 -2.6277 -2.4243 -0.9017 -0.6882 -0.3534 -0.3398 5.6124 5.6126 5.6404 5.6410 7.0375 7.0420 8.2940 8.2945 8.7514 8.7534 8.9658 8.9661 11.4431 11.4451 12.5854 12.6417 12.7987 12.8058 13.5451 13.5473 14.7177 14.7188 14.8114 14.8120 14.9445 14.9649 k = 0.0000 0.0000 0.3396 ( 5141 PWs) bands (ev): -44.2112 -44.2111 -23.3417 -23.3366 -20.6114 -20.6068 -20.2077 -20.2075 -14.0623 -14.0540 -8.0736 -8.0730 -6.0999 -6.0999 -2.9940 -2.9862 -2.5839 -2.3622 -0.8410 -0.6206 -0.3323 -0.3129 5.6175 5.6179 5.6457 5.6465 7.0713 7.0761 8.3190 8.3195 8.7548 8.7571 8.9688 8.9691 11.4476 11.4499 12.4498 12.5074 12.6592 12.6669 13.5311 13.5330 14.7173 14.7187 14.7872 14.8092 14.8153 14.8160 k = 0.0000 0.0000 0.3271 ( 5141 PWs) bands (ev): -44.2111 -44.2109 -23.3184 -23.3130 -20.6123 -20.6073 -20.2087 -20.2085 -14.1534 -14.1450 -8.0688 -8.0681 -6.1012 -6.1012 -2.9771 -2.9743 -2.5346 -2.2985 -0.7731 -0.5514 -0.3091 -0.2806 5.6230 5.6236 5.6515 5.6524 7.1074 7.1124 8.3454 8.3460 8.7587 8.7612 8.9722 8.9725 11.4519 11.4546 12.3131 12.3716 12.5180 12.5260 13.5166 13.5182 14.6319 14.6573 14.7187 14.7198 14.8132 14.8134 k = 0.0000 0.0000 0.3145 ( 5137 PWs) bands (ev): -44.2110 -44.2108 -23.2939 -23.2882 -20.6132 -20.6080 -20.2098 -20.2095 -14.2471 -14.2386 -8.0642 -8.0635 -6.1026 -6.1026 -2.9647 -2.9639 -2.4813 -2.2349 -0.6984 -0.4835 -0.2834 -0.2403 5.6289 5.6296 5.6578 5.6588 7.1456 7.1508 8.3733 8.3739 8.7630 8.7657 8.9760 8.9764 11.4559 11.4590 12.1764 12.2354 12.3759 12.3841 13.5016 13.5031 14.4750 14.5021 14.7181 14.7192 14.8135 14.8136 k = 0.0000 0.0000 0.3019 ( 5137 PWs) bands (ev): -44.2108 -44.2107 -23.2683 -23.2623 -20.6141 -20.6086 -20.2109 -20.2106 -14.3427 -14.3342 -8.0598 -8.0591 -6.1041 -6.1040 -2.9568 -2.9537 -2.4253 -2.1724 -0.6179 -0.4209 -0.2545 -0.1882 5.6352 5.6361 5.6645 5.6657 7.1858 7.1912 8.4024 8.4031 8.7678 8.7709 8.9803 8.9807 11.4590 11.4627 12.0406 12.0999 12.2336 12.2420 13.4864 13.4877 14.3169 14.3456 14.7176 14.7188 14.8139 14.8139 k = 0.0000 0.0000 0.2893 ( 5133 PWs) bands (ev): -44.2107 -44.2105 -23.2416 -23.2355 -20.6150 -20.6092 -20.2120 -20.2118 -14.4396 -14.4312 -8.0556 -8.0549 -6.1055 -6.1055 -2.9504 -2.9459 -2.3679 -2.1121 -0.5336 -0.3672 -0.2205 -0.1213 5.6418 5.6430 5.6716 5.6730 7.2280 7.2335 8.4327 8.4334 8.7732 8.7765 8.9850 8.9855 11.4606 11.4649 11.9072 11.9664 12.0920 12.1004 13.4709 13.4721 14.1582 14.1884 14.7171 14.7183 14.8141 14.8141 k = 0.0000 0.0000 0.2767 ( 5137 PWs) bands (ev): -44.2105 -44.2104 -23.2141 -23.2077 -20.6159 -20.6099 -20.2131 -20.2129 -14.5373 -14.5290 -8.0518 -8.0511 -6.1070 -6.1070 -2.9451 -2.9398 -2.3102 -2.0547 -0.4495 -0.3228 -0.1782 -0.0395 5.6487 5.6502 5.6792 5.6807 7.2718 7.2774 8.4640 8.4647 8.7792 8.7828 8.9903 8.9908 11.4587 11.4634 11.7784 11.8369 11.9520 11.9602 13.4553 13.4564 13.9994 14.0311 14.7163 14.7176 14.8143 14.8143 k = 0.0000 0.0000 0.2642 ( 5141 PWs) bands (ev): -44.2104 -44.2102 -23.1858 -23.1793 -20.6167 -20.6106 -20.2143 -20.2141 -14.6352 -14.6270 -8.0481 -8.0475 -6.1085 -6.1085 -2.9408 -2.9351 -2.2528 -2.0006 -0.3717 -0.2855 -0.1224 0.0541 5.6559 5.6578 5.6872 5.6889 7.3173 7.3229 8.4960 8.4968 8.7858 8.7898 8.9962 8.9968 11.4486 11.4520 11.6603 11.7157 11.8150 11.8227 13.4397 13.4407 13.8410 13.8739 14.7153 14.7167 14.8144 14.8145 k = 0.0000 0.0000 0.2516 ( 5145 PWs) bands (ev): -44.2103 -44.2101 -23.1570 -23.1503 -20.6175 -20.6112 -20.2155 -20.2152 -14.7327 -14.7247 -8.0448 -8.0442 -6.1101 -6.1100 -2.9372 -2.9314 -2.1965 -1.9499 -0.3065 -0.2528 -0.0475 0.1564 5.6634 5.6657 5.6956 5.6973 7.3641 7.3697 8.5287 8.5295 8.7930 8.7975 9.0027 9.0034 11.4112 11.4175 11.5697 11.6111 11.6867 11.6915 13.4241 13.4251 13.6833 13.7173 14.7141 14.7155 14.8145 14.8146 k = 0.0000 0.0000 0.2390 ( 5149 PWs) bands (ev): -44.2101 -44.2099 -23.1277 -23.1209 -20.6183 -20.6119 -20.2167 -20.2164 -14.8294 -14.8216 -8.0418 -8.0411 -6.1116 -6.1116 -2.9342 -2.9285 -2.1417 -1.9028 -0.2556 -0.2230 0.0467 0.2649 5.6712 5.6738 5.7044 5.7062 7.4121 7.4176 8.5619 8.5627 8.8011 8.8060 9.0100 9.0107 11.3240 11.3474 11.5019 11.5120 11.5891 11.5968 13.4086 13.4096 13.5270 13.5616 14.7127 14.7142 14.8146 14.8147 k = 0.0000 0.0000 0.2264 ( 5149 PWs) bands (ev): -44.2100 -44.2098 -23.0982 -23.0913 -20.6191 -20.6125 -20.2178 -20.2176 -14.9247 -14.9171 -8.0390 -8.0384 -6.1131 -6.1131 -2.9317 -2.9262 -2.0887 -1.8591 -0.2153 -0.1951 0.1554 0.3775 5.6791 5.6822 5.7134 5.7153 7.4611 7.4665 8.5954 8.5962 8.8099 8.8153 9.0180 9.0188 11.2139 11.2461 11.3910 11.3940 11.5557 11.5657 13.3691 13.3933 13.3963 13.4086 14.7109 14.7125 14.8146 14.8147 k = 0.0000 0.0000 0.2139 ( 5141 PWs) bands (ev): -44.2098 -44.2096 -23.0685 -23.0617 -20.6198 -20.6132 -20.2190 -20.2187 -15.0181 -15.0108 -8.0365 -8.0359 -6.1146 -6.1146 -2.9296 -2.9245 -2.0378 -1.8188 -0.1815 -0.1687 0.2732 0.4929 5.6872 5.6908 5.7227 5.7246 7.5109 7.5160 8.6289 8.6297 8.8195 8.8255 9.0268 9.0278 11.0992 11.1339 11.2650 11.2699 11.5499 11.5571 13.2180 13.2545 13.3797 13.3801 14.7089 14.7105 14.8146 14.8148 k = 0.0000 0.0000 0.2013 ( 5141 PWs) bands (ev): -44.2097 -44.2095 -23.0390 -23.0322 -20.6204 -20.6138 -20.2201 -20.2198 -15.1091 -15.1021 -8.0342 -8.0337 -6.1160 -6.1160 -2.9279 -2.9231 -1.9892 -1.7816 -0.1517 -0.1433 0.3963 0.6095 5.6955 5.6995 5.7322 5.7341 7.5611 7.5659 8.6622 8.6630 8.8300 8.8367 9.0365 9.0376 10.9855 11.0199 11.1407 11.1456 11.5506 11.5558 13.0676 13.1042 13.3653 13.3657 14.7064 14.7082 14.8146 14.8148 k = 0.0000 0.0000 0.1887 ( 5133 PWs) bands (ev): -44.2095 -44.2094 -23.0098 -23.0030 -20.6210 -20.6144 -20.2212 -20.2210 -15.1973 -15.1906 -8.0322 -8.0317 -6.1175 -6.1174 -2.9264 -2.9220 -1.9429 -1.7476 -0.1245 -0.1191 0.5220 0.7263 5.7037 5.7082 5.7419 5.7437 7.6116 7.6160 8.6952 8.6960 8.8415 8.8488 9.0473 9.0485 10.8748 10.9075 11.0196 11.0242 11.5536 11.5575 12.9202 12.9567 13.3515 13.3519 14.7035 14.7053 14.8146 14.8147 k = 0.0000 0.0000 0.1761 ( 5141 PWs) bands (ev): -44.2094 -44.2092 -22.9811 -22.9744 -20.6215 -20.6149 -20.2223 -20.2220 -15.2822 -15.2759 -8.0304 -8.0299 -6.1188 -6.1188 -2.9252 -2.9211 -1.8990 -1.7164 -0.0994 -0.0958 0.6482 0.8420 5.7120 5.7170 5.7516 5.7533 7.6619 7.6659 8.7276 8.7284 8.8538 8.8619 9.0590 9.0604 10.7681 10.7982 10.9024 10.9065 11.5575 11.5604 12.7763 12.8125 13.3383 13.3387 14.7000 14.7019 14.8145 14.8147 k = 0.0000 0.0000 0.1635 ( 5125 PWs) bands (ev): -44.2093 -44.2091 -22.9531 -22.9466 -20.6219 -20.6155 -20.2233 -20.2231 -15.3634 -15.3574 -8.0288 -8.0283 -6.1202 -6.1201 -2.9242 -2.9205 -1.8576 -1.6881 -0.0759 -0.0736 0.7734 0.9555 5.7203 5.7257 5.7612 5.7629 7.7117 7.7154 8.7591 8.7599 8.8672 8.8760 9.0718 9.0734 10.6660 10.6929 10.7898 10.7931 11.5618 11.5640 12.6366 12.6723 13.3258 13.3261 14.6959 14.6979 14.8145 14.8146 k = 0.0000 0.0000 0.1510 ( 5125 PWs) bands (ev): -44.2092 -44.2090 -22.9260 -22.9197 -20.6222 -20.6160 -20.2243 -20.2241 -15.4404 -15.4349 -8.0273 -8.0270 -6.1214 -6.1214 -2.9233 -2.9200 -1.8187 -1.6624 -0.0539 -0.0524 0.8960 1.0657 5.7284 5.7342 5.7708 5.7723 7.7607 7.7639 8.7896 8.7903 8.8814 8.8910 9.0858 9.0875 10.5689 10.5922 10.6821 10.6845 11.5661 11.5678 12.5020 12.5367 13.3139 13.3142 14.6909 14.6930 14.8144 14.8146 k = 0.0000 0.0000 0.1384 ( 5121 PWs) bands (ev): -44.2090 -44.2089 -22.9001 -22.8941 -20.6225 -20.6165 -20.2252 -20.2250 -15.5130 -15.5078 -8.0261 -8.0258 -6.1226 -6.1226 -2.9226 -2.9196 -1.7824 -1.6393 -0.0334 -0.0325 1.0148 1.1716 5.7363 5.7424 5.7801 5.7814 7.8085 7.8112 8.8187 8.8194 8.8965 8.9070 9.1009 9.1028 10.4771 10.4965 10.5797 10.5811 11.5702 11.5714 12.3731 12.4064 13.3029 13.3031 14.6851 14.6872 14.8143 14.8145 k = 0.0000 0.0000 0.1258 ( 5113 PWs) bands (ev): -44.2089 -44.2088 -22.8755 -22.8698 -20.6227 -20.6170 -20.2261 -20.2259 -15.5806 -15.5759 -8.0250 -8.0247 -6.1237 -6.1237 -2.9220 -2.9193 -1.7486 -1.6189 -0.0143 -0.0139 1.1286 1.2719 5.7440 5.7502 5.7890 5.7902 7.8546 7.8567 8.8463 8.8469 8.9124 8.9238 9.1171 9.1193 10.3909 10.4061 10.4832 10.4835 11.5739 11.5747 12.2508 12.2825 13.2926 13.2928 14.6782 14.6804 14.8142 14.8144 k = 0.0000 0.0000 0.1132 ( 5107 PWs) bands (ev): -44.2088 -44.2087 -22.8524 -22.8471 -20.6228 -20.6175 -20.2269 -20.2267 -15.6430 -15.6387 -8.0241 -8.0238 -6.1247 -6.1247 -2.9215 -2.9191 -1.7174 -1.6009 0.0032 0.0033 1.2361 1.3658 5.7513 5.7576 5.7976 5.7986 7.8985 7.9002 8.8720 8.8726 8.9290 8.9411 9.1344 9.1368 10.3103 10.3214 10.3922 10.3930 11.5770 11.5774 12.1362 12.1658 13.2831 13.2833 14.6702 14.6724 14.8140 14.8142 k = 0.0000 0.0000 0.1006 ( 5103 PWs) bands (ev): -44.2087 -44.2086 -22.8311 -22.8262 -20.6229 -20.6180 -20.2277 -20.2275 -15.6998 -15.6959 -8.0233 -8.0231 -6.1257 -6.1257 -2.9211 -2.9190 -1.6887 -1.5855 0.0191 0.0192 1.3364 1.4521 5.7582 5.7644 5.8056 5.8064 7.9397 7.9410 8.8958 8.8964 8.9460 8.9588 9.1527 9.1553 10.2355 10.2426 10.3080 10.3097 11.5792 11.5794 12.0305 12.0574 13.2746 13.2747 14.6612 14.6633 14.8139 14.8141 k = 0.0000 0.0000 0.0881 ( 5107 PWs) bands (ev): -44.2086 -44.2085 -22.8117 -22.8073 -20.6228 -20.6184 -20.2283 -20.2281 -15.7507 -15.7473 -8.0226 -8.0225 -6.1265 -6.1265 -2.9207 -2.9190 -1.6627 -1.5726 0.0332 0.0334 1.4284 1.5300 5.7646 5.7706 5.8129 5.8136 7.9778 7.9787 8.9173 8.9178 8.9631 8.9763 9.1718 9.1745 10.1664 10.1699 10.2317 10.2342 11.5798 11.5806 11.9349 11.9588 13.2670 13.2671 14.6513 14.6533 14.8137 14.8139 k = 0.0000 0.0000 0.0755 ( 5107 PWs) bands (ev): -44.2086 -44.2085 -22.7944 -22.7905 -20.6227 -20.6188 -20.2289 -20.2287 -15.7953 -15.7924 -8.0221 -8.0219 -6.1273 -6.1272 -2.9204 -2.9189 -1.6392 -1.5623 0.0457 0.0460 1.5113 1.5986 5.7704 5.7760 5.8195 5.8200 8.0121 8.0127 8.9365 8.9369 8.9801 8.9933 9.1912 9.1939 10.1029 10.1037 10.1643 10.1670 11.5785 11.5800 11.8512 11.8716 13.2603 13.2604 14.6409 14.6427 14.8135 14.8137 k = 0.0000 0.0000 0.0629 ( 5107 PWs) bands (ev): -44.2085 -44.2084 -22.7794 -22.7761 -20.6226 -20.6193 -20.2294 -20.2293 -15.8335 -15.8311 -8.0216 -8.0215 -6.1279 -6.1279 -2.9202 -2.9189 -1.6184 -1.5544 0.0564 0.0567 1.5840 1.6570 5.7756 5.7806 5.8252 5.8256 8.0422 8.0426 8.9530 8.9534 8.9964 9.0090 9.2104 9.2131 10.0445 10.0453 10.1067 10.1091 11.5743 11.5769 11.7814 11.7976 13.2546 13.2547 14.6306 14.6321 14.8133 14.8135 k = 0.0000 0.0000 0.0503 ( 5101 PWs) bands (ev): -44.2084 -44.2084 -22.7669 -22.7642 -20.6224 -20.6197 -20.2298 -20.2297 -15.8651 -15.8631 -8.0213 -8.0212 -6.1284 -6.1284 -2.9199 -2.9190 -1.6002 -1.5491 0.0653 0.0655 1.6460 1.7044 5.7801 5.7843 5.8301 5.8303 8.0676 8.0679 8.9669 8.9672 9.0114 9.0228 9.2288 9.2313 9.9932 9.9946 10.0594 10.0610 11.5659 11.5698 11.7279 11.7393 13.2499 13.2500 14.6209 14.6221 14.8131 14.8133 k = 0.0000 0.0000 0.0377 ( 5105 PWs) bands (ev): -44.2084 -44.2083 -22.7570 -22.7549 -20.6221 -20.6201 -20.2301 -20.2300 -15.8897 -15.8882 -8.0210 -8.0209 -6.1288 -6.1288 -2.9197 -2.9190 -1.5846 -1.5464 0.0723 0.0725 1.6965 1.7404 5.7838 5.7871 5.8339 5.8341 8.0879 8.0880 8.9778 8.9780 9.0246 9.0341 9.2452 9.2474 9.9509 9.9522 10.0224 10.0232 11.5530 11.5579 11.6919 11.6987 13.2463 13.2463 14.6126 14.6135 14.8130 14.8131 k = 0.0000 0.0000 0.0252 ( 5117 PWs) bands (ev): -44.2084 -44.2083 -22.7497 -22.7483 -20.6219 -20.6205 -20.2303 -20.2303 -15.9074 -15.9064 -8.0208 -8.0207 -6.1291 -6.1291 -2.9196 -2.9191 -1.5717 -1.5462 0.0773 0.0774 1.7351 1.7644 5.7867 5.7889 5.8367 5.8368 8.1027 8.1027 8.9857 8.9858 9.0353 9.0421 9.2585 9.2601 9.9191 9.9201 9.9958 9.9960 11.5384 11.5429 11.6714 11.6748 13.2436 13.2437 14.6062 14.6068 14.8128 14.8130 k = 0.0000 0.0000 0.0126 ( 5127 PWs) bands (ev): -44.2083 -44.2083 -22.7451 -22.7444 -20.6215 -20.6208 -20.2305 -20.2304 -15.9179 -15.9174 -8.0207 -8.0206 -6.1293 -6.1293 -2.9194 -2.9192 -1.5614 -1.5487 0.0803 0.0804 1.7613 1.7760 5.7886 5.7898 5.8384 5.8384 8.1117 8.1117 8.9905 8.9906 9.0427 9.0463 9.2674 9.2682 9.8993 9.8998 9.9797 9.9797 11.5276 11.5302 11.6618 11.6631 13.2421 13.2421 14.6022 14.6025 14.8128 14.8128 k = 0.0000 0.0000 0.0000 ( 5141 PWs) bands (ev): -44.2083 -44.2083 -22.7434 -22.7434 -20.6212 -20.6212 -20.2305 -20.2305 -15.9213 -15.9213 -8.0206 -8.0206 -6.1293 -6.1293 -2.9193 -2.9193 -1.5537 -1.5537 0.0814 0.0814 1.7750 1.7750 5.7897 5.7897 5.8389 5.8389 8.1147 8.1147 8.9921 8.9921 9.0465 9.0465 9.2708 9.2708 9.8927 9.8927 9.9743 9.9743 11.5245 11.5245 11.6593 11.6593 13.2415 13.2415 14.6010 14.6010 14.8127 14.8127 k = 0.0000 0.0000 0.0000 ( 5141 PWs) bands (ev): -44.2083 -44.2083 -22.7434 -22.7434 -20.6212 -20.6212 -20.2305 -20.2305 -15.9213 -15.9213 -8.0206 -8.0206 -6.1293 -6.1293 -2.9193 -2.9193 -1.5537 -1.5537 0.0814 0.0814 1.7750 1.7750 5.7897 5.7897 5.8389 5.8389 8.1147 8.1147 8.9921 8.9921 9.0465 9.0465 9.2708 9.2708 9.8927 9.8927 9.9743 9.9743 11.5245 11.5245 11.6593 11.6593 13.2415 13.2415 14.6010 14.6010 14.8127 14.8127 k =-0.0089 0.0089 0.0000 ( 5129 PWs) bands (ev): -44.2083 -44.2083 -22.7434 -22.7434 -20.6213 -20.6213 -20.2306 -20.2306 -15.9212 -15.9212 -8.0198 -8.0198 -6.1293 -6.1293 -2.9207 -2.9207 -1.5538 -1.5538 0.0813 0.0813 1.7752 1.7752 5.7909 5.7909 5.8401 5.8401 8.1120 8.1120 8.9851 8.9851 9.0435 9.0435 9.2682 9.2682 9.9000 9.9000 9.9779 9.9779 11.5265 11.5265 11.6588 11.6588 13.2433 13.2433 14.6020 14.6020 14.8108 14.8108 k =-0.0179 0.0178 0.0000 ( 5119 PWs) bands (ev): -44.2083 -44.2083 -22.7433 -22.7433 -20.6215 -20.6215 -20.2308 -20.2308 -15.9209 -15.9209 -8.0172 -8.0172 -6.1292 -6.1292 -2.9249 -2.9249 -1.5540 -1.5540 0.0809 0.0809 1.7760 1.7760 5.7946 5.7946 5.8436 5.8436 8.1043 8.1043 8.9648 8.9648 9.0346 9.0346 9.2604 9.2604 9.9209 9.9209 9.9890 9.9890 11.5327 11.5327 11.6572 11.6572 13.2486 13.2486 14.6048 14.6048 14.8048 14.8048 k =-0.0268 0.0267 0.0000 ( 5115 PWs) bands (ev): -44.2083 -44.2083 -22.7433 -22.7433 -20.6218 -20.6218 -20.2311 -20.2311 -15.9204 -15.9204 -8.0129 -8.0129 -6.1289 -6.1289 -2.9319 -2.9319 -1.5543 -1.5543 0.0802 0.0802 1.7773 1.7773 5.8007 5.8007 5.8493 5.8493 8.0915 8.0915 8.9328 8.9328 9.0198 9.0198 9.2475 9.2475 9.9529 9.9529 10.0080 10.0080 11.5430 11.5430 11.6545 11.6545 13.2574 13.2574 14.6085 14.6085 14.7950 14.7950 k =-0.0357 0.0356 0.0000 ( 5111 PWs) bands (ev): -44.2083 -44.2083 -22.7433 -22.7433 -20.6222 -20.6222 -20.2316 -20.2316 -15.9198 -15.9198 -8.0069 -8.0069 -6.1286 -6.1286 -2.9416 -2.9416 -1.5548 -1.5548 0.0794 0.0794 1.7791 1.7791 5.8092 5.8092 5.8575 5.8575 8.0741 8.0741 8.8914 8.8914 8.9993 8.9993 9.2297 9.2297 9.9918 9.9918 10.0366 10.0366 11.5571 11.5571 11.6509 11.6509 13.2695 13.2695 14.6120 14.6120 14.7813 14.7813 k =-0.0446 0.0445 0.0000 ( 5111 PWs) bands (ev): -44.2083 -44.2083 -22.7432 -22.7432 -20.6228 -20.6228 -20.2322 -20.2322 -15.9189 -15.9189 -7.9992 -7.9992 -6.1282 -6.1282 -2.9540 -2.9540 -1.5555 -1.5555 0.0782 0.0782 1.7814 1.7814 5.8199 5.8199 5.8682 5.8682 8.0524 8.0524 8.8429 8.8429 8.9734 8.9734 9.2071 9.2071 10.0318 10.0318 10.0778 10.0778 11.5750 11.5750 11.6464 11.6464 13.2848 13.2848 14.6135 14.6135 14.7638 14.7638 k =-0.0536 0.0534 0.0000 ( 5115 PWs) bands (ev): -44.2082 -44.2082 -22.7432 -22.7432 -20.6234 -20.6234 -20.2330 -20.2330 -15.9179 -15.9179 -7.9898 -7.9898 -6.1277 -6.1277 -2.9692 -2.9692 -1.5562 -1.5562 0.0768 0.0768 1.7842 1.7842 5.8328 5.8328 5.8815 5.8815 8.0268 8.0268 8.7891 8.7891 8.9422 8.9422 9.1799 9.1799 10.0708 10.0708 10.1314 10.1314 11.5960 11.5960 11.6413 11.6413 13.3031 13.3031 14.6111 14.6111 14.7428 14.7428 k =-0.0625 0.0623 0.0000 ( 5119 PWs) bands (ev): -44.2082 -44.2082 -22.7431 -22.7431 -20.6242 -20.6242 -20.2339 -20.2339 -15.9167 -15.9167 -7.9787 -7.9787 -6.1271 -6.1271 -2.9870 -2.9870 -1.5571 -1.5571 0.0752 0.0752 1.7874 1.7874 5.8477 5.8477 5.8974 5.8974 7.9979 7.9979 8.7315 8.7315 8.9061 8.9061 9.1484 9.1484 10.1109 10.1109 10.1931 10.1931 11.6180 11.6180 11.6380 11.6380 13.3241 13.3241 14.6036 14.6036 14.7185 14.7185 k =-0.0714 0.0712 0.0000 ( 5131 PWs) bands (ev): -44.2082 -44.2082 -22.7431 -22.7431 -20.6252 -20.6252 -20.2349 -20.2349 -15.9154 -15.9154 -7.9660 -7.9660 -6.1264 -6.1264 -3.0073 -3.0073 -1.5581 -1.5581 0.0733 0.0733 1.7912 1.7912 5.8645 5.8645 5.9161 5.9161 7.9661 7.9661 8.6713 8.6713 8.8653 8.8653 9.1128 9.1128 10.1535 10.1535 10.2599 10.2599 11.6233 11.6233 11.6538 11.6538 13.3474 13.3474 14.5904 14.5904 14.6911 14.6911 k =-0.0804 0.0801 0.0000 ( 5109 PWs) bands (ev): -44.2081 -44.2081 -22.7430 -22.7430 -20.6262 -20.6262 -20.2360 -20.2360 -15.9139 -15.9139 -7.9517 -7.9517 -6.1257 -6.1257 -3.0302 -3.0302 -1.5592 -1.5592 0.0713 0.0713 1.7954 1.7954 5.8831 5.8831 5.9376 5.9376 7.9319 7.9319 8.6093 8.6093 8.8201 8.8201 9.0736 9.0736 10.1986 10.1986 10.3302 10.3302 11.6171 11.6171 11.6836 11.6836 13.3728 13.3728 14.5713 14.5713 14.6611 14.6611 k =-0.0893 0.0890 0.0000 ( 5109 PWs) bands (ev): -44.2081 -44.2081 -22.7429 -22.7429 -20.6273 -20.6273 -20.2373 -20.2373 -15.9122 -15.9122 -7.9357 -7.9357 -6.1248 -6.1248 -3.0555 -3.0555 -1.5605 -1.5605 0.0690 0.0690 1.8001 1.8001 5.9034 5.9034 5.9620 5.9620 7.8957 7.8957 8.5460 8.5460 8.7709 8.7709 9.0309 9.0309 10.2460 10.2460 10.4029 10.4029 11.6094 11.6094 11.7171 11.7171 13.3996 13.3996 14.5468 14.5468 14.6287 14.6287 k =-0.0982 0.0979 0.0000 ( 5117 PWs) bands (ev): -44.2080 -44.2080 -22.7428 -22.7428 -20.6286 -20.6286 -20.2386 -20.2386 -15.9103 -15.9103 -7.9181 -7.9181 -6.1239 -6.1239 -3.0832 -3.0832 -1.5618 -1.5618 0.0665 0.0665 1.8053 1.8053 5.9254 5.9254 5.9893 5.9893 7.8579 7.8579 8.4822 8.4822 8.7180 8.7180 8.9852 8.9852 10.2951 10.2951 10.4774 10.4774 11.6013 11.6013 11.7533 11.7533 13.4272 13.4272 14.5173 14.5173 14.5946 14.5946 k =-0.1071 0.1068 0.0000 ( 5117 PWs) bands (ev): -44.2080 -44.2080 -22.7427 -22.7427 -20.6299 -20.6299 -20.2401 -20.2401 -15.9083 -15.9083 -7.8989 -7.8989 -6.1228 -6.1228 -3.1132 -3.1132 -1.5632 -1.5632 0.0638 0.0638 1.8108 1.8108 5.9492 5.9492 6.0193 6.0193 7.8190 7.8190 8.4180 8.4180 8.6618 8.6618 8.9368 8.9368 10.3453 10.3453 10.5532 10.5532 11.5933 11.5933 11.7918 11.7918 13.4549 13.4549 14.4833 14.4833 14.5594 14.5594 k =-0.1161 0.1157 0.0000 ( 5119 PWs) bands (ev): -44.2079 -44.2079 -22.7426 -22.7426 -20.6313 -20.6313 -20.2417 -20.2417 -15.9062 -15.9062 -7.8782 -7.8782 -6.1217 -6.1217 -3.1455 -3.1455 -1.5646 -1.5646 0.0609 0.0609 1.8168 1.8168 5.9745 5.9745 6.0520 6.0520 7.7791 7.7791 8.3539 8.3539 8.6026 8.6026 8.8861 8.8861 10.3961 10.3961 10.6300 10.6300 11.5858 11.5858 11.8322 11.8322 13.4817 13.4817 14.4451 14.4451 14.5239 14.5239 k =-0.1250 0.1246 0.0000 ( 5119 PWs) bands (ev): -44.2079 -44.2079 -22.7425 -22.7425 -20.6328 -20.6328 -20.2434 -20.2434 -15.9039 -15.9039 -7.8560 -7.8560 -6.1205 -6.1205 -3.1798 -3.1798 -1.5661 -1.5661 0.0578 0.0578 1.8232 1.8232 6.0016 6.0016 6.0872 6.0872 7.7387 7.7387 8.2900 8.2900 8.5408 8.5408 8.8333 8.8333 10.4466 10.4466 10.7075 10.7075 11.5791 11.5791 11.8744 11.8744 13.5065 13.5065 14.4030 14.4030 14.4892 14.4892 k =-0.1339 0.1335 0.0000 ( 5119 PWs) bands (ev): -44.2078 -44.2078 -22.7424 -22.7424 -20.6345 -20.6345 -20.2452 -20.2452 -15.9015 -15.9015 -7.8322 -7.8322 -6.1193 -6.1193 -3.2162 -3.2162 -1.5677 -1.5677 0.0547 0.0547 1.8300 1.8300 6.0304 6.0304 6.1249 6.1249 7.6979 7.6979 8.2265 8.2265 8.4767 8.4767 8.7790 8.7790 10.4963 10.4963 10.7853 10.7853 11.5738 11.5738 11.9179 11.9179 13.5277 13.5277 14.3572 14.3572 14.4566 14.4566 k =-0.1429 0.1424 0.0000 ( 5127 PWs) bands (ev): -44.2078 -44.2078 -22.7423 -22.7423 -20.6361 -20.6361 -20.2470 -20.2470 -15.8990 -15.8990 -7.8071 -7.8071 -6.1179 -6.1179 -3.2545 -3.2545 -1.5692 -1.5692 0.0513 0.0513 1.8371 1.8371 6.0607 6.0607 6.1649 6.1649 7.6571 7.6571 8.1637 8.1637 8.4108 8.4108 8.7235 8.7235 10.5441 10.5441 10.8634 10.8634 11.5705 11.5705 11.9626 11.9626 13.5436 13.5436 14.3078 14.3078 14.4277 14.4277 k =-0.1518 0.1513 0.0000 ( 5127 PWs) bands (ev): -44.2077 -44.2077 -22.7422 -22.7422 -20.6379 -20.6379 -20.2490 -20.2490 -15.8964 -15.8964 -7.7804 -7.7804 -6.1165 -6.1165 -3.2947 -3.2947 -1.5708 -1.5708 0.0479 0.0479 1.8446 1.8446 6.0927 6.0927 6.2071 6.2071 7.6164 7.6164 8.1016 8.1016 8.3433 8.3433 8.6671 8.6671 10.5893 10.5893 10.9415 10.9415 11.5698 11.5698 12.0083 12.0083 13.5524 13.5524 14.2550 14.2550 14.4044 14.4044 k =-0.1607 0.1602 0.0000 ( 5127 PWs) bands (ev): -44.2076 -44.2076 -22.7421 -22.7421 -20.6397 -20.6397 -20.2510 -20.2510 -15.8937 -15.8937 -7.7525 -7.7525 -6.1150 -6.1150 -3.3366 -3.3366 -1.5724 -1.5724 0.0444 0.0444 1.8524 1.8524 6.1261 6.1261 6.2512 6.2512 7.5760 7.5760 8.0403 8.0403 8.2747 8.2747 8.6103 8.6103 10.6309 10.6309 11.0194 11.0194 11.5726 11.5726 12.0546 12.0546 13.5520 13.5520 14.1988 14.1988 14.3884 14.3884 k =-0.1696 0.1691 0.0000 ( 5131 PWs) bands (ev): -44.2075 -44.2075 -22.7419 -22.7419 -20.6416 -20.6416 -20.2531 -20.2531 -15.8909 -15.8909 -7.7231 -7.7231 -6.1135 -6.1135 -3.3802 -3.3802 -1.5740 -1.5740 0.0408 0.0408 1.8605 1.8605 6.1610 6.1610 6.2970 6.2970 7.5361 7.5361 7.9800 7.9800 8.2053 8.2053 8.5534 8.5534 10.6680 10.6680 11.0971 11.0971 11.5795 11.5795 12.1014 12.1014 13.5409 13.5409 14.1395 14.1395 14.3811 14.3811 k =-0.1786 0.1780 0.0000 ( 5135 PWs) bands (ev): -44.2075 -44.2075 -22.7418 -22.7418 -20.6436 -20.6436 -20.2552 -20.2552 -15.8879 -15.8879 -7.6925 -7.6925 -6.1119 -6.1119 -3.4253 -3.4253 -1.5755 -1.5755 0.0371 0.0371 1.8689 1.8689 6.1970 6.1970 6.3444 6.3444 7.4968 7.4968 7.9207 7.9207 8.1357 8.1357 8.4970 8.4970 10.6997 10.6997 11.1743 11.1743 11.5914 11.5914 12.1484 12.1484 13.5182 13.5182 14.0770 14.0770 14.3833 14.3833 k =-0.1875 0.1869 0.0000 ( 5131 PWs) bands (ev): -44.2074 -44.2074 -22.7416 -22.7416 -20.6456 -20.6456 -20.2575 -20.2575 -15.8850 -15.8850 -7.6606 -7.6606 -6.1102 -6.1102 -3.4719 -3.4719 -1.5770 -1.5770 0.0335 0.0335 1.8775 1.8775 6.2340 6.2340 6.3930 6.3930 7.4582 7.4582 7.8625 7.8625 8.0662 8.0662 8.4415 8.4415 10.7253 10.7253 11.2510 11.2510 11.6087 11.6087 12.1955 12.1955 13.4839 13.4839 14.0116 14.0116 14.3948 14.3948 k =-0.1964 0.1958 0.0000 ( 5123 PWs) bands (ev): -44.2073 -44.2073 -22.7415 -22.7415 -20.6476 -20.6476 -20.2597 -20.2597 -15.8819 -15.8819 -7.6274 -7.6274 -6.1085 -6.1085 -3.5197 -3.5197 -1.5785 -1.5785 0.0298 0.0298 1.8864 1.8864 6.2718 6.2718 6.4425 6.4425 7.4204 7.4204 7.8054 7.8054 7.9973 7.9973 8.3875 8.3875 10.7443 10.7443 11.3270 11.3270 11.6320 11.6320 12.2424 12.2424 13.4387 13.4387 13.9432 13.9432 14.4147 14.4147 k =-0.2054 0.2047 0.0000 ( 5127 PWs) bands (ev): -44.2072 -44.2072 -22.7413 -22.7413 -20.6497 -20.6497 -20.2620 -20.2620 -15.8788 -15.8788 -7.5931 -7.5931 -6.1067 -6.1067 -3.5689 -3.5689 -1.5799 -1.5799 0.0261 0.0261 1.8955 1.8955 6.3100 6.3100 6.4925 6.4925 7.3836 7.3836 7.7496 7.7496 7.9297 7.9297 8.3353 8.3353 10.7566 10.7566 11.4022 11.4022 11.6611 11.6611 12.2890 12.2890 13.3839 13.3839 13.8720 13.8720 14.4416 14.4416 k =-0.2143 0.2136 0.0000 ( 5119 PWs) bands (ev): -44.2072 -44.2072 -22.7412 -22.7412 -20.6518 -20.6518 -20.2643 -20.2643 -15.8757 -15.8757 -7.5577 -7.5577 -6.1049 -6.1049 -3.6191 -3.6191 -1.5811 -1.5811 0.0225 0.0225 1.9047 1.9047 6.3481 6.3481 6.5425 6.5425 7.3477 7.3477 7.6951 7.6951 7.8640 7.8640 8.2858 8.2858 10.7624 10.7624 11.4765 11.4765 11.6958 11.6958 12.3351 12.3351 13.3206 13.3206 13.7981 13.7981 14.4739 14.4739 k =-0.2232 0.2225 0.0000 ( 5115 PWs) bands (ev): -44.2071 -44.2071 -22.7410 -22.7410 -20.6539 -20.6539 -20.2667 -20.2667 -15.8725 -15.8725 -7.5212 -7.5212 -6.1030 -6.1030 -3.6704 -3.6704 -1.5823 -1.5823 0.0189 0.0189 1.9141 1.9141 6.3856 6.3856 6.5919 6.5919 7.3130 7.3130 7.6419 7.6419 7.8010 7.8010 8.2396 8.2396 10.7621 10.7621 11.5498 11.5498 11.7357 11.7357 12.3805 12.3805 13.2503 13.2503 13.7215 13.7215 14.5103 14.5103 k =-0.2321 0.2314 0.0000 ( 5113 PWs) bands (ev): -44.2070 -44.2070 -22.7409 -22.7409 -20.6561 -20.6561 -20.2690 -20.2690 -15.8693 -15.8693 -7.4837 -7.4837 -6.1011 -6.1011 -3.7226 -3.7226 -1.5834 -1.5834 0.0155 0.0155 1.9237 1.9237 6.4218 6.4218 6.6401 6.6401 7.2794 7.2794 7.5900 7.5900 7.7415 7.7415 8.1975 8.1975 10.7564 10.7564 11.6220 11.6220 11.7800 11.7800 12.4250 12.4250 13.1739 13.1739 13.6424 13.6424 14.5493 14.5493 k =-0.2411 0.2403 0.0000 ( 5121 PWs) bands (ev): -44.2069 -44.2069 -22.7407 -22.7407 -20.6582 -20.6582 -20.2714 -20.2714 -15.8661 -15.8661 -7.4452 -7.4452 -6.0991 -6.0991 -3.7756 -3.7756 -1.5844 -1.5844 0.0121 0.0121 1.9333 1.9333 6.4556 6.4556 6.6862 6.6862 7.2470 7.2470 7.5396 7.5396 7.6866 7.6866 8.1604 8.1604 10.7459 10.7459 11.6929 11.6929 11.8279 11.8279 12.4687 12.4687 13.0925 13.0925 13.5608 13.5608 14.5900 14.5900 k =-0.2500 0.2493 0.0000 ( 5125 PWs) bands (ev): -44.2068 -44.2068 -22.7406 -22.7406 -20.6604 -20.6604 -20.2737 -20.2737 -15.8628 -15.8628 -7.4059 -7.4059 -6.0972 -6.0972 -3.8294 -3.8294 -1.5852 -1.5852 0.0088 0.0088 1.9430 1.9430 6.4860 6.4860 6.7294 6.7294 7.2158 7.2158 7.4906 7.4906 7.6378 7.6378 8.1294 8.1294 10.7314 10.7314 11.7625 11.7625 11.8787 11.8787 12.5112 12.5112 13.0068 13.0068 13.4769 13.4769 14.6312 14.6312 k =-0.2589 0.2582 0.0000 ( 5129 PWs) bands (ev): -44.2067 -44.2067 -22.7404 -22.7404 -20.6625 -20.6625 -20.2761 -20.2761 -15.8596 -15.8596 -7.3657 -7.3657 -6.0952 -6.0952 -3.8837 -3.8837 -1.5860 -1.5860 0.0057 0.0057 1.9527 1.9527 6.5117 6.5117 6.7686 6.7686 7.1860 7.1860 7.4430 7.4430 7.5963 7.5963 8.1055 8.1055 10.7136 10.7136 11.8306 11.8306 11.9317 11.9317 12.5525 12.5525 12.9173 12.9173 13.3907 13.3907 14.6722 14.6722 k =-0.2679 0.2671 0.0000 ( 5129 PWs) bands (ev): -44.2067 -44.2067 -22.7403 -22.7403 -20.6647 -20.6647 -20.2785 -20.2785 -15.8564 -15.8564 -7.3247 -7.3247 -6.0932 -6.0932 -3.9386 -3.9386 -1.5865 -1.5865 0.0027 0.0027 1.9625 1.9625 6.5312 6.5312 6.8027 6.8027 7.1574 7.1574 7.3970 7.3970 7.5638 7.5638 8.0899 8.0899 10.6930 10.6930 11.8973 11.8973 11.9863 11.9863 12.5923 12.5923 12.8249 12.8249 13.3023 13.3023 14.7122 14.7122 k =-0.2768 0.2760 0.0000 ( 5127 PWs) bands (ev): -44.2066 -44.2066 -22.7401 -22.7401 -20.6668 -20.6668 -20.2808 -20.2808 -15.8533 -15.8533 -7.2830 -7.2830 -6.0912 -6.0912 -3.9939 -3.9939 -1.5870 -1.5870 -0.0002 -0.0002 1.9722 1.9722 6.5432 6.5432 6.8308 6.8308 7.1301 7.1301 7.3526 7.3526 7.5419 7.5419 8.0836 8.0836 10.6701 10.6701 11.9623 11.9623 12.0418 12.0418 12.6299 12.6299 12.7307 12.7307 13.2119 13.2119 14.7506 14.7506 k =-0.2857 0.2849 0.0000 ( 5119 PWs) bands (ev): -44.2065 -44.2065 -22.7400 -22.7400 -20.6689 -20.6689 -20.2831 -20.2831 -15.8501 -15.8501 -7.2407 -7.2407 -6.0892 -6.0892 -4.0494 -4.0494 -1.5873 -1.5873 -0.0029 -0.0029 1.9819 1.9819 6.5466 6.5466 6.8520 6.8520 7.1041 7.1041 7.3096 7.3096 7.5317 7.5317 8.0875 8.0875 10.6456 10.6456 12.0257 12.0257 12.0977 12.0977 12.6259 12.6259 12.6743 12.6743 13.1196 13.1196 14.7867 14.7867 k =-0.2946 0.2938 0.0000 ( 5117 PWs) bands (ev): -44.2064 -44.2064 -22.7398 -22.7398 -20.6709 -20.6709 -20.2853 -20.2853 -15.8470 -15.8470 -7.1978 -7.1978 -6.0872 -6.0872 -4.1052 -4.1052 -1.5875 -1.5875 -0.0053 -0.0053 1.9914 1.9914 6.5408 6.5408 6.8661 6.8661 7.0792 7.0792 7.2683 7.2683 7.5339 7.5339 8.1020 8.1020 10.6196 10.6196 12.0873 12.0873 12.1536 12.1536 12.5297 12.5297 12.7066 12.7066 13.0255 13.0255 14.8199 14.8199 k =-0.3036 0.3027 0.0000 ( 5125 PWs) bands (ev): -44.2063 -44.2063 -22.7397 -22.7397 -20.6730 -20.6730 -20.2876 -20.2876 -15.8440 -15.8440 -7.1545 -7.1545 -6.0853 -6.0853 -4.1610 -4.1610 -1.5875 -1.5875 -0.0076 -0.0076 2.0009 2.0009 6.5263 6.5263 6.8729 6.8729 7.0556 7.0556 7.2286 7.2286 7.5482 7.5482 8.1272 8.1272 10.5927 10.5927 12.1470 12.1470 12.2092 12.2092 12.4287 12.4287 12.7406 12.7406 12.9297 12.9297 14.8499 14.8499 k =-0.3125 0.3116 0.0000 ( 5125 PWs) bands (ev): -44.2063 -44.2063 -22.7395 -22.7395 -20.6749 -20.6749 -20.2897 -20.2897 -15.8410 -15.8410 -7.1108 -7.1108 -6.0833 -6.0833 -4.2168 -4.2168 -1.5875 -1.5875 -0.0098 -0.0098 2.0102 2.0102 6.5040 6.5040 6.8728 6.8728 7.0331 7.0331 7.1905 7.1905 7.5737 7.5737 8.1628 8.1628 10.5652 10.5652 12.2047 12.2047 12.2639 12.2639 12.3263 12.3263 12.7731 12.7731 12.8325 12.8325 14.8762 14.8762 k =-0.3214 0.3205 0.0000 ( 5123 PWs) bands (ev): -44.2062 -44.2062 -22.7394 -22.7394 -20.6769 -20.6769 -20.2919 -20.2919 -15.8381 -15.8381 -7.0667 -7.0667 -6.0814 -6.0814 -4.2725 -4.2725 -1.5873 -1.5873 -0.0117 -0.0117 2.0193 2.0193 6.4751 6.4751 6.8667 6.8667 7.0117 7.0117 7.1540 7.1540 7.6093 7.6093 8.2079 8.2079 10.5373 10.5373 12.2213 12.2213 12.2615 12.2615 12.3179 12.3179 12.7333 12.7333 12.8049 12.8049 14.8985 14.8985 k =-0.3304 0.3294 0.0000 ( 5127 PWs) bands (ev): -44.2061 -44.2061 -22.7392 -22.7392 -20.6787 -20.6787 -20.2939 -20.2939 -15.8353 -15.8353 -7.0225 -7.0225 -6.0795 -6.0795 -4.3278 -4.3278 -1.5870 -1.5870 -0.0134 -0.0134 2.0283 2.0283 6.4411 6.4411 6.8555 6.8556 6.9913 6.9913 7.1192 7.1192 7.6533 7.6533 8.2617 8.2617 10.5092 10.5092 12.1173 12.1173 12.3147 12.3147 12.3703 12.3703 12.6334 12.6334 12.8344 12.8344 14.9166 14.9167 k =-0.3393 0.3383 0.0000 ( 5129 PWs) bands (ev): -44.2060 -44.2060 -22.7391 -22.7391 -20.6806 -20.6806 -20.2959 -20.2959 -15.8326 -15.8326 -6.9783 -6.9783 -6.0776 -6.0776 -4.3828 -4.3828 -1.5865 -1.5865 -0.0150 -0.0150 2.0370 2.0370 6.4037 6.4037 6.8403 6.8403 6.9721 6.9721 7.0862 7.0862 7.7044 7.7044 8.3230 8.3230 10.4813 10.4813 12.0123 12.0123 12.3662 12.3662 12.4212 12.4212 12.5325 12.5325 12.8625 12.8625 14.9305 14.9305 k =-0.3482 0.3472 0.0000 ( 5133 PWs) bands (ev): -44.2060 -44.2060 -22.7390 -22.7390 -20.6823 -20.6823 -20.2978 -20.2978 -15.8300 -15.8300 -6.9340 -6.9340 -6.0758 -6.0758 -4.4372 -4.4372 -1.5860 -1.5860 -0.0164 -0.0164 2.0454 2.0454 6.3639 6.3639 6.8218 6.8218 6.9541 6.9541 7.0548 7.0548 7.7611 7.7611 8.3907 8.3907 10.4537 10.4537 11.9070 11.9070 12.4135 12.4135 12.4317 12.4317 12.4712 12.4712 12.8891 12.8891 14.9401 14.9401 k =-0.3571 0.3561 0.0000 ( 5137 PWs) bands (ev): -44.2059 -44.2059 -22.7389 -22.7389 -20.6840 -20.6840 -20.2996 -20.2996 -15.8274 -15.8274 -6.8900 -6.8900 -6.0741 -6.0741 -4.4909 -4.4909 -1.5854 -1.5854 -0.0175 -0.0175 2.0535 2.0535 6.3229 6.3229 6.8012 6.8012 6.9372 6.9372 7.0252 7.0252 7.8225 7.8225 8.4637 8.4637 10.4266 10.4266 11.8019 11.8019 12.3270 12.3270 12.4632 12.4632 12.5181 12.5181 12.9140 12.9140 14.9457 14.9457 k =-0.3661 0.3650 0.0000 ( 5137 PWs) bands (ev): -44.2058 -44.2058 -22.7387 -22.7387 -20.6856 -20.6856 -20.3014 -20.3014 -15.8250 -15.8250 -6.8463 -6.8463 -6.0724 -6.0724 -4.5437 -4.5437 -1.5848 -1.5848 -0.0186 -0.0186 2.0613 2.0613 6.2816 6.2816 6.7791 6.7791 6.9216 6.9216 6.9973 6.9973 7.8874 7.8874 8.5413 8.5413 10.4002 10.4002 11.6973 11.6973 12.2240 12.2240 12.5077 12.5077 12.5633 12.5633 12.9374 12.9374 14.9475 14.9475 k =-0.3750 0.3739 0.0000 ( 5151 PWs) bands (ev): -44.2058 -44.2058 -22.7386 -22.7386 -20.6871 -20.6871 -20.3031 -20.3031 -15.8227 -15.8227 -6.8032 -6.8032 -6.0708 -6.0708 -4.5954 -4.5954 -1.5841 -1.5841 -0.0194 -0.0194 2.0687 2.0687 6.2408 6.2408 6.7561 6.7561 6.9071 6.9071 6.9712 6.9712 7.9551 7.9551 8.6224 8.6224 10.3747 10.3747 11.5936 11.5936 12.1207 12.1207 12.5498 12.5498 12.6063 12.6063 12.9592 12.9592 14.9460 14.9460 k =-0.3839 0.3828 0.0000 ( 5155 PWs) bands (ev): -44.2057 -44.2057 -22.7385 -22.7385 -20.6885 -20.6885 -20.3046 -20.3046 -15.8206 -15.8206 -6.7607 -6.7607 -6.0693 -6.0693 -4.6459 -4.6459 -1.5833 -1.5833 -0.0202 -0.0202 2.0758 2.0758 6.2010 6.2010 6.7330 6.7330 6.8937 6.8937 6.9470 6.9470 8.0247 8.0247 8.7063 8.7063 10.3503 10.3503 11.4912 11.4912 12.0175 12.0175 12.5894 12.5894 12.6470 12.6470 12.9793 12.9793 14.9417 14.9417 k =-0.3929 0.3917 0.0000 ( 5151 PWs) bands (ev): -44.2057 -44.2057 -22.7384 -22.7384 -20.6899 -20.6899 -20.3061 -20.3061 -15.8186 -15.8186 -6.7192 -6.7192 -6.0678 -6.0678 -4.6949 -4.6949 -1.5825 -1.5825 -0.0208 -0.0208 2.0824 2.0824 6.1626 6.1626 6.7102 6.7102 6.8814 6.8814 6.9246 6.9246 8.0954 8.0954 8.7922 8.7922 10.3270 10.3270 11.3906 11.3906 11.9148 11.9148 12.6264 12.6264 12.6851 12.6851 12.9980 12.9980 14.9351 14.9351 k =-0.4018 0.4006 0.0000 ( 5145 PWs) bands (ev): -44.2056 -44.2056 -22.7383 -22.7383 -20.6911 -20.6911 -20.3075 -20.3075 -15.8167 -15.8167 -6.6789 -6.6789 -6.0664 -6.0664 -4.7421 -4.7421 -1.5817 -1.5817 -0.0212 -0.0212 2.0886 2.0886 6.1262 6.1262 6.6880 6.6880 6.8700 6.8700 6.9042 6.9042 8.1667 8.1667 8.8793 8.8793 10.3051 10.3051 11.2923 11.2923 11.8130 11.8130 12.6607 12.6607 12.7207 12.7207 13.0150 13.0150 14.9268 14.9268 k =-0.4107 0.4095 0.0000 ( 5150 PWs) bands (ev): -44.2056 -44.2056 -22.7382 -22.7382 -20.6923 -20.6923 -20.3087 -20.3087 -15.8149 -15.8149 -6.6401 -6.6401 -6.0651 -6.0651 -4.7873 -4.7873 -1.5810 -1.5810 -0.0216 -0.0216 2.0944 2.0944 6.0921 6.0921 6.6669 6.6669 6.8594 6.8594 6.8860 6.8860 8.2376 8.2376 8.9669 8.9669 10.2846 10.2846 11.1969 11.1969 11.7127 11.7127 12.6921 12.6921 12.7535 12.7535 13.0306 13.0306 14.9172 14.9172 k =-0.4196 0.4184 0.0000 ( 5150 PWs) bands (ev): -44.2055 -44.2055 -22.7382 -22.7382 -20.6933 -20.6933 -20.3099 -20.3099 -15.8133 -15.8133 -6.6030 -6.6030 -6.0639 -6.0639 -4.8301 -4.8301 -1.5802 -1.5802 -0.0219 -0.0219 2.0996 2.0996 6.0605 6.0605 6.6471 6.6471 6.8493 6.8493 6.8701 6.8701 8.3074 8.3074 9.0540 9.0540 10.2657 10.2657 11.1052 11.1052 11.6144 11.6144 12.7208 12.7208 12.7835 12.7835 13.0446 13.0446 14.9070 14.9070 k =-0.4286 0.4273 0.0000 ( 5150 PWs) bands (ev): -44.2055 -44.2055 -22.7381 -22.7381 -20.6943 -20.6943 -20.3109 -20.3109 -15.8119 -15.8119 -6.5682 -6.5682 -6.0628 -6.0628 -4.8701 -4.8701 -1.5795 -1.5795 -0.0221 -0.0221 2.1044 2.1044 6.0316 6.0316 6.6288 6.6288 6.8392 6.8392 6.8570 6.8570 8.3752 8.3752 9.1398 9.1398 10.2485 10.2485 11.0179 11.0179 11.5191 11.5191 12.7466 12.7466 12.8106 12.8106 13.0570 13.0570 14.8966 14.8966 k =-0.4375 0.4362 0.0000 ( 5150 PWs) bands (ev): -44.2055 -44.2055 -22.7380 -22.7380 -20.6951 -20.6951 -20.3118 -20.3118 -15.8106 -15.8106 -6.5358 -6.5358 -6.0618 -6.0618 -4.9070 -4.9070 -1.5788 -1.5788 -0.0222 -0.0222 2.1087 2.1087 6.0057 6.0057 6.6123 6.6123 6.8289 6.8289 6.8469 6.8469 8.4399 8.4399 9.2230 9.2230 10.2330 10.2330 10.9361 10.9361 11.4277 11.4277 12.7694 12.7694 12.8347 12.8347 13.0680 13.0680 14.8865 14.8865 k =-0.4464 0.4451 0.0000 ( 5150 PWs) bands (ev): -44.2054 -44.2054 -22.7380 -22.7380 -20.6959 -20.6959 -20.3126 -20.3126 -15.8095 -15.8095 -6.5065 -6.5065 -6.0609 -6.0609 -4.9404 -4.9404 -1.5782 -1.5782 -0.0223 -0.0223 2.1124 2.1124 5.9830 5.9830 6.5978 6.5978 6.8190 6.8190 6.8392 6.8392 8.5003 8.5003 9.3023 9.3023 10.2195 10.2195 10.8609 10.8609 11.3415 11.3415 12.7893 12.7893 12.8557 12.8557 13.0775 13.0775 14.8770 14.8770 k =-0.4554 0.4540 0.0000 ( 5142 PWs) bands (ev): -44.2054 -44.2054 -22.7379 -22.7379 -20.6965 -20.6965 -20.3133 -20.3133 -15.8086 -15.8086 -6.4805 -6.4805 -6.0601 -6.0601 -4.9697 -4.9697 -1.5777 -1.5777 -0.0223 -0.0223 2.1156 2.1156 5.9635 5.9635 6.5852 6.5852 6.8100 6.8100 6.8333 6.8333 8.5552 8.5552 9.3759 9.3759 10.2079 10.2079 10.7935 10.7935 11.2623 11.2623 12.8062 12.8062 12.8736 12.8736 13.0856 13.0856 14.8684 14.8684 k =-0.4643 0.4629 0.0000 ( 5144 PWs) bands (ev): -44.2054 -44.2054 -22.7379 -22.7379 -20.6970 -20.6970 -20.3139 -20.3139 -15.8078 -15.8078 -6.4585 -6.4585 -6.0595 -6.0595 -4.9946 -4.9946 -1.5772 -1.5772 -0.0224 -0.0224 2.1182 2.1182 5.9474 5.9474 6.5748 6.5748 6.8024 6.8024 6.8288 6.8288 8.6031 8.6031 9.4416 9.4416 10.1982 10.1982 10.7355 10.7355 11.1919 11.1919 12.8201 12.8201 12.8883 12.8883 13.0921 13.0921 14.8610 14.8610 k =-0.4732 0.4718 0.0000 ( 5152 PWs) bands (ev): -44.2054 -44.2054 -22.7379 -22.7379 -20.6974 -20.6974 -20.3143 -20.3143 -15.8072 -15.8072 -6.4408 -6.4408 -6.0590 -6.0590 -5.0144 -5.0144 -1.5768 -1.5768 -0.0224 -0.0224 2.1202 2.1202 5.9348 5.9348 6.5667 6.5667 6.7963 6.7963 6.8254 6.8254 8.6425 8.6425 9.4970 9.4970 10.1907 10.1907 10.6882 10.6882 11.1330 11.1330 12.8309 12.8309 12.8998 12.8998 13.0972 13.0972 14.8551 14.8551 k =-0.4821 0.4807 0.0000 ( 5158 PWs) bands (ev): -44.2054 -44.2054 -22.7378 -22.7378 -20.6977 -20.6977 -20.3146 -20.3146 -15.8068 -15.8068 -6.4279 -6.4279 -6.0586 -6.0586 -5.0290 -5.0290 -1.5766 -1.5766 -0.0224 -0.0224 2.1217 2.1217 5.9258 5.9258 6.5608 6.5608 6.7919 6.7919 6.8230 6.8230 8.6719 8.6719 9.5394 9.5395 10.1853 10.1853 10.6531 10.6531 11.0881 11.0881 12.8386 12.8386 12.9081 12.9081 13.1008 13.1008 14.8507 14.8507 k =-0.4911 0.4896 0.0000 ( 5160 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6979 -20.6979 -20.3148 -20.3148 -15.8065 -15.8065 -6.4200 -6.4200 -6.0584 -6.0584 -5.0378 -5.0378 -1.5764 -1.5764 -0.0224 -0.0224 2.1226 2.1226 5.9203 5.9203 6.5572 6.5572 6.7893 6.7893 6.8216 6.8216 8.6901 8.6901 9.5662 9.5662 10.1820 10.1820 10.6315 10.6315 11.0598 11.0598 12.8432 12.8432 12.9130 12.9130 13.1030 13.1030 14.8480 14.8480 k =-0.5000 0.4985 0.0000 ( 5168 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6979 -20.6979 -20.3149 -20.3149 -15.8064 -15.8064 -6.4173 -6.4173 -6.0583 -6.0583 -5.0408 -5.0408 -1.5764 -1.5764 -0.0224 -0.0224 2.1229 2.1229 5.9185 5.9185 6.5560 6.5560 6.7884 6.7884 6.8212 6.8212 8.6963 8.6963 9.5754 9.5754 10.1809 10.1809 10.6242 10.6242 11.0502 11.0502 12.8448 12.8448 12.9147 12.9147 13.1037 13.1037 14.8471 14.8471 k =-0.5000 0.4985 0.0000 ( 5168 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6979 -20.6979 -20.3149 -20.3149 -15.8064 -15.8064 -6.4173 -6.4173 -6.0583 -6.0583 -5.0408 -5.0408 -1.5764 -1.5764 -0.0224 -0.0224 2.1229 2.1229 5.9185 5.9185 6.5560 6.5560 6.7884 6.7884 6.8212 6.8212 8.6963 8.6963 9.5754 9.5754 10.1809 10.1809 10.6242 10.6242 11.0502 11.0502 12.8448 12.8448 12.9147 12.9147 13.1037 13.1037 14.8471 14.8471 k =-0.4985 0.5000-0.0000 ( 5168 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6980 -20.6979 -20.3149 -20.3149 -15.8064 -15.8064 -6.4181 -6.4167 -6.0593 -6.0573 -5.0410 -5.0404 -1.5765 -1.5763 -0.0225 -0.0223 2.1228 2.1229 5.9185 5.9186 6.5561 6.5561 6.7882 6.7887 6.8209 6.8214 8.6961 8.6962 9.5749 9.5753 10.1810 10.1810 10.6240 10.6249 11.0501 11.0507 12.8445 12.8449 12.9144 12.9148 13.1037 13.1037 14.8471 14.8472 k =-0.4985 0.5000-0.0000 ( 5168 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6980 -20.6979 -20.3149 -20.3149 -15.8064 -15.8064 -6.4181 -6.4167 -6.0593 -6.0573 -5.0410 -5.0404 -1.5765 -1.5763 -0.0225 -0.0223 2.1228 2.1229 5.9185 5.9186 6.5561 6.5561 6.7882 6.7887 6.8209 6.8214 8.6961 8.6962 9.5749 9.5753 10.1810 10.1810 10.6240 10.6249 11.0501 11.0507 12.8445 12.8449 12.9144 12.9148 13.1037 13.1037 14.8471 14.8472 k =-0.4985 0.5000 0.0126 ( 5164 PWs) bands (ev): -44.2054 -44.2053 -22.7396 -22.7388 -20.6983 -20.6976 -20.3149 -20.3148 -15.8031 -15.8026 -6.4179 -6.4165 -6.0591 -6.0571 -5.0409 -5.0403 -1.5847 -1.5724 -0.0248 -0.0246 2.1064 2.1241 5.9182 5.9188 6.5560 6.5563 6.7914 6.7929 6.8235 6.8263 8.6962 8.6964 9.5749 9.5754 10.1790 10.1798 10.6241 10.6252 11.0501 11.0507 12.8438 12.8457 12.9097 12.9163 13.1104 13.1196 14.8485 14.8485 k =-0.4985 0.5000 0.0252 ( 5160 PWs) bands (ev): -44.2054 -44.2054 -22.7440 -22.7426 -20.6986 -20.6972 -20.3147 -20.3146 -15.7926 -15.7916 -6.4174 -6.4160 -6.0585 -6.0566 -5.0406 -5.0400 -1.5975 -1.5727 -0.0318 -0.0316 2.0749 2.1101 5.9177 5.9190 6.5560 6.5566 6.8015 6.8047 6.8336 6.8385 8.6967 8.6969 9.5750 9.5754 10.1741 10.1757 10.6245 10.6260 11.0501 11.0507 12.8430 12.8467 12.9037 12.9144 13.1400 13.1557 14.8525 14.8525 k =-0.4985 0.5000 0.0377 ( 5160 PWs) bands (ev): -44.2054 -44.2054 -22.7512 -22.7491 -20.6989 -20.6968 -20.3145 -20.3144 -15.7750 -15.7735 -6.4166 -6.4152 -6.0575 -6.0556 -5.0401 -5.0395 -1.6145 -1.5774 -0.0433 -0.0431 2.0287 2.0810 5.9173 5.9191 6.5563 6.5570 6.8185 6.8240 6.8516 6.8578 8.6975 8.6977 9.5751 9.5756 10.1662 10.1685 10.6252 10.6271 11.0500 11.0506 12.8426 12.8477 12.8983 12.9105 13.1905 13.2099 14.8591 14.8592 k =-0.4985 0.5000 0.0503 ( 5168 PWs) bands (ev): -44.2055 -44.2054 -22.7610 -22.7583 -20.6991 -20.6964 -20.3142 -20.3140 -15.7504 -15.7485 -6.4155 -6.4141 -6.0561 -6.0542 -5.0394 -5.0388 -1.6357 -1.5863 -0.0593 -0.0591 1.9683 2.0372 5.9168 5.9191 6.5567 6.5576 6.8421 6.8504 6.8775 6.8841 8.6986 8.6989 9.5753 9.5758 10.1554 10.1584 10.6262 10.6287 11.0499 11.0506 12.8426 12.8488 12.8942 12.9064 13.2599 13.2809 14.8683 14.8684 k =-0.4985 0.5000 0.0629 ( 5152 PWs) bands (ev): -44.2055 -44.2055 -22.7733 -22.7700 -20.6993 -20.6959 -20.3137 -20.3136 -15.7190 -15.7166 -6.4141 -6.4127 -6.0543 -6.0525 -5.0385 -5.0379 -1.6609 -1.5995 -0.0795 -0.0794 1.8945 1.9794 5.9163 5.9190 6.5573 6.5583 6.8721 6.8838 6.9112 6.9172 8.7001 8.7003 9.5755 9.5760 10.1420 10.1456 10.6276 10.6304 11.0497 11.0505 12.8431 12.8501 12.8915 12.9029 13.3466 13.3681 14.8799 14.8801 k =-0.4985 0.5000 0.0755 ( 5150 PWs) bands (ev): -44.2056 -44.2055 -22.7881 -22.7841 -20.6994 -20.6955 -20.3132 -20.3130 -15.6810 -15.6781 -6.4124 -6.4110 -6.0522 -6.0504 -5.0374 -5.0368 -1.6902 -1.6167 -0.1038 -0.1037 1.8080 1.9081 5.9158 5.9189 6.5581 6.5592 6.9085 6.9236 6.9525 6.9571 8.7018 8.7021 9.5758 9.5763 10.1260 10.1302 10.6292 10.6324 11.0496 11.0504 12.8442 12.8517 12.8901 12.9004 13.4494 13.4708 14.8940 14.8942 k =-0.4985 0.5000 0.0881 ( 5148 PWs) bands (ev): -44.2057 -44.2056 -22.8051 -22.8006 -20.6995 -20.6950 -20.3126 -20.3124 -15.6365 -15.6331 -6.4104 -6.4090 -6.0497 -6.0479 -5.0361 -5.0355 -1.7233 -1.6378 -0.1319 -0.1317 1.7098 1.8243 5.9154 5.9188 6.5592 6.5603 6.9510 6.9692 7.0009 7.0040 8.7039 8.7043 9.5761 9.5766 10.1076 10.1124 10.6310 10.6345 11.0494 11.0503 12.8460 12.8538 12.8899 12.8991 13.5673 13.5882 14.9103 14.9105 k =-0.4985 0.5000 0.1006 ( 5148 PWs) bands (ev): -44.2058 -44.2057 -22.8241 -22.8191 -20.6994 -20.6945 -20.3119 -20.3117 -15.5858 -15.5820 -6.4081 -6.4068 -6.0469 -6.0450 -5.0346 -5.0340 -1.7600 -1.6627 -0.1635 -0.1632 1.6009 1.7289 5.9151 5.9186 6.5604 6.5615 6.9996 7.0203 7.0559 7.0577 8.7063 8.7067 9.5765 9.5770 10.0871 10.0923 10.6329 10.6368 11.0491 11.0501 12.8486 12.8566 12.8909 12.8990 13.6994 13.7196 14.9288 14.9291 k =-0.4985 0.5000 0.1132 ( 5144 PWs) bands (ev): -44.2059 -44.2057 -22.8451 -22.8397 -20.6994 -20.6941 -20.3111 -20.3109 -15.5292 -15.5250 -6.4055 -6.4042 -6.0437 -6.0419 -5.0330 -5.0324 -1.8001 -1.6912 -0.1983 -0.1979 1.4822 1.6231 5.9149 5.9185 6.5618 6.5629 7.0539 7.0762 7.1168 7.1183 8.7090 8.7095 9.5769 9.5774 10.0647 10.0702 10.6350 10.6391 11.0488 11.0499 12.8521 12.8602 12.8931 12.9002 13.8445 13.8639 14.9492 14.9496 k =-0.4985 0.5000 0.1258 ( 5142 PWs) bands (ev): -44.2060 -44.2058 -22.8678 -22.8620 -20.6992 -20.6935 -20.3103 -20.3100 -15.4671 -15.4624 -6.4027 -6.4014 -6.0401 -6.0384 -5.0311 -5.0306 -1.8436 -1.7231 -0.2360 -0.2354 1.3550 1.5078 5.9148 5.9184 6.5635 6.5645 7.1137 7.1366 7.1834 7.1852 8.7121 8.7126 9.5774 9.5778 10.0405 10.0463 10.6372 10.6414 11.0485 11.0497 12.8568 12.8650 12.8967 12.9027 14.0016 14.0201 14.9716 14.9720 k =-0.4985 0.5000 0.1384 ( 5134 PWs) bands (ev): -44.2061 -44.2059 -22.8921 -22.8859 -20.6990 -20.6930 -20.3093 -20.3091 -15.3997 -15.3946 -6.3997 -6.3984 -6.0363 -6.0345 -5.0292 -5.0286 -1.8901 -1.7583 -0.2763 -0.2754 1.2204 1.3843 5.9148 5.9184 6.5652 6.5662 7.1785 7.2013 7.2553 7.2577 8.7154 8.7160 9.5779 9.5783 10.0148 10.0209 10.6394 10.6437 11.0482 11.0494 12.8627 12.8710 12.9017 12.9069 14.1696 14.1872 14.9957 14.9962 k =-0.4985 0.5000 0.1510 ( 5126 PWs) bands (ev): -44.2062 -44.2060 -22.9176 -22.9112 -20.6986 -20.6924 -20.3083 -20.3081 -15.3274 -15.3219 -6.3964 -6.3951 -6.0322 -6.0304 -5.0270 -5.0265 -1.9395 -1.7966 -0.3188 -0.3176 1.0794 1.2538 5.9149 5.9185 6.5671 6.5681 7.2479 7.2699 7.3322 7.3349 8.7190 8.7197 9.5784 9.5789 9.9878 9.9941 10.6416 10.6460 11.0478 11.0491 12.8701 12.8786 12.9085 12.9127 14.3473 14.3639 15.0215 15.0221 k =-0.4985 0.5000 0.1635 ( 5130 PWs) bands (ev): -44.2063 -44.2062 -22.9443 -22.9377 -20.6982 -20.6918 -20.3073 -20.3070 -15.2505 -15.2447 -6.3929 -6.3917 -6.0278 -6.0261 -5.0247 -5.0242 -1.9915 -1.8379 -0.3632 -0.3616 0.9334 1.1175 5.9152 5.9186 6.5692 6.5701 7.3214 7.3422 7.4135 7.4163 8.7230 8.7237 9.5789 9.5794 9.9598 9.9662 10.6438 10.6483 11.0473 11.0487 12.8792 12.8880 12.9171 12.9205 14.5335 14.5490 15.0489 15.0498 k =-0.4985 0.5000 0.1761 ( 5126 PWs) bands (ev): -44.2065 -44.2063 -22.9719 -22.9651 -20.6978 -20.6912 -20.3062 -20.3059 -15.1696 -15.1633 -6.3892 -6.3880 -6.0231 -6.0214 -5.0223 -5.0218 -2.0461 -1.8819 -0.4091 -0.4071 0.7834 0.9765 5.9155 5.9188 6.5714 6.5723 7.3985 7.4176 7.4986 7.5014 8.7273 8.7280 9.5795 9.5800 9.9308 9.9374 10.6460 10.6505 11.0469 11.0483 12.8903 12.8994 12.9278 12.9305 14.7265 14.7407 15.0784 15.0798 k =-0.4985 0.5000 0.1887 ( 5118 PWs) bands (ev): -44.2066 -44.2064 -23.0002 -22.9933 -20.6972 -20.6906 -20.3051 -20.3048 -15.0850 -15.0784 -6.3854 -6.3842 -6.0182 -6.0165 -5.0198 -5.0193 -2.1030 -1.9286 -0.4564 -0.4537 0.6307 0.8320 5.9159 5.9191 6.5736 6.5745 7.4786 7.4959 7.5867 7.5896 8.7318 8.7327 9.5801 9.5806 9.9012 9.9080 10.6482 10.6526 11.0463 11.0478 12.9036 12.9132 12.9409 12.9430 14.9230 14.9347 15.1123 15.1153 k =-0.4985 0.5000 0.2013 ( 5120 PWs) bands (ev): -44.2067 -44.2066 -23.0290 -23.0220 -20.6966 -20.6899 -20.3039 -20.3036 -14.9971 -14.9901 -6.3814 -6.3802 -6.0131 -6.0115 -5.0172 -5.0166 -2.1620 -1.9778 -0.5046 -0.5012 0.4764 0.6851 5.9165 5.9195 6.5760 6.5768 7.5611 7.5764 7.6774 7.6802 8.7367 8.7376 9.5807 9.5812 9.8713 9.8781 10.6504 10.6547 11.0458 11.0473 12.9194 12.9295 12.9567 12.9582 15.0925 15.0943 15.1798 15.1917 k =-0.4985 0.5000 0.2139 ( 5118 PWs) bands (ev): -44.2069 -44.2067 -23.0581 -23.0511 -20.6959 -20.6893 -20.3027 -20.3024 -14.9063 -14.8991 -6.3773 -6.3761 -6.0078 -6.0062 -5.0144 -5.0139 -2.2229 -2.0295 -0.5536 -0.5493 0.3217 0.5369 5.9171 5.9200 6.5784 6.5792 7.6455 7.6587 7.7699 7.7727 8.7418 8.7429 9.5814 9.5819 9.8411 9.8480 10.6525 10.6567 11.0451 11.0468 12.9380 12.9487 12.9754 12.9765 15.1514 15.1524 15.3624 15.3761 k =-0.4985 0.5000 0.2264 ( 5122 PWs) bands (ev): -44.2070 -44.2068 -23.0874 -23.0803 -20.6951 -20.6886 -20.3015 -20.3012 -14.8133 -14.8057 -6.3730 -6.3719 -6.0024 -6.0008 -5.0116 -5.0111 -2.2856 -2.0836 -0.6032 -0.5976 0.1679 0.3886 5.9178 5.9205 6.5809 6.5816 7.7311 7.7423 7.8636 7.8663 8.7473 8.7484 9.5820 9.5825 9.8109 9.8179 10.6545 10.6587 11.0445 11.0461 12.9597 12.9711 12.9971 12.9984 15.1872 15.1879 15.5738 15.5862 k =-0.4985 0.5000 0.2390 ( 5122 PWs) bands (ev): -44.2072 -44.2070 -23.1165 -23.1096 -20.6943 -20.6879 -20.3002 -20.2999 -14.7183 -14.7105 -6.3687 -6.3677 -5.9968 -5.9953 -5.0087 -5.0082 -2.3498 -2.1400 -0.6531 -0.6459 0.0161 0.2411 5.9185 5.9211 6.5834 6.5841 7.8173 7.8265 7.9578 7.9605 8.7531 8.7544 9.5826 9.5832 9.7810 9.7880 10.6565 10.6605 11.0438 11.0455 12.9847 12.9970 13.0222 13.0241 15.2204 15.2209 15.7910 15.8022 k =-0.4985 0.5000 0.2516 ( 5126 PWs) bands (ev): -44.2073 -44.2071 -23.1454 -23.1386 -20.6935 -20.6871 -20.2990 -20.2987 -14.6220 -14.6139 -6.3644 -6.3633 -5.9911 -5.9897 -5.0058 -5.0052 -2.4154 -2.1988 -0.7034 -0.6941 -0.1321 0.0955 5.9193 5.9217 6.5860 6.5866 7.9034 7.9107 8.0518 8.0547 8.7591 8.7606 9.5833 9.5838 9.7515 9.7587 10.6584 10.6623 11.0431 11.0448 13.0133 13.0265 13.0512 13.0538 15.2532 15.2536 16.0109 16.0209 k =-0.4985 0.5000 0.2642 ( 5122 PWs) bands (ev): -44.2075 -44.2073 -23.1739 -23.1672 -20.6926 -20.6864 -20.2977 -20.2975 -14.5248 -14.5165 -6.3601 -6.3590 -5.9854 -5.9840 -5.0029 -5.0023 -2.4822 -2.2599 -0.7542 -0.7418 -0.2755 -0.0473 5.9202 5.9224 6.5885 6.5891 7.9888 7.9945 8.1451 8.1480 8.7655 8.7672 9.5839 9.5845 9.7227 9.7300 10.6602 10.6641 11.0423 11.0441 13.0458 13.0600 13.0844 13.0877 15.2859 15.2862 16.2322 16.2410 k =-0.4985 0.5000 0.2767 ( 5126 PWs) bands (ev): -44.2076 -44.2074 -23.2018 -23.1953 -20.6917 -20.6857 -20.2965 -20.2962 -14.4273 -14.4189 -6.3557 -6.3546 -5.9797 -5.9783 -5.0000 -4.9992 -2.5499 -2.3233 -0.8058 -0.7890 -0.4122 -0.1862 5.9210 5.9231 6.5911 6.5916 8.0727 8.0771 8.2368 8.2400 8.7722 8.7741 9.5845 9.5851 9.6950 9.7023 10.6620 10.6657 11.0416 11.0433 13.0825 13.0977 13.1221 13.1260 15.3185 15.3188 16.2986 16.3030 k =-0.4985 0.5000 0.2893 ( 5126 PWs) bands (ev): -44.2078 -44.2076 -23.2290 -23.2227 -20.6907 -20.6850 -20.2953 -20.2950 -14.3300 -14.3215 -6.3514 -6.3503 -5.9739 -5.9726 -4.9970 -4.9962 -2.6183 -2.3889 -0.8592 -0.8355 -0.5402 -0.3203 5.9219 5.9238 6.5936 6.5941 8.1544 8.1580 8.3265 8.3298 8.7793 8.7814 9.5850 9.5856 9.6684 9.6758 10.6637 10.6673 11.0408 11.0425 13.1235 13.1397 13.1644 13.1689 15.3511 15.3513 16.2831 16.2878 k =-0.4985 0.5000 0.3019 ( 5130 PWs) bands (ev): -44.2079 -44.2077 -23.2553 -23.2493 -20.6898 -20.6842 -20.2941 -20.2938 -14.2335 -14.2249 -6.3472 -6.3460 -5.9682 -5.9670 -4.9941 -4.9933 -2.6870 -2.4568 -0.9159 -0.8815 -0.6567 -0.4486 5.9228 5.9245 6.5960 6.5966 8.2333 8.2366 8.4133 8.4169 8.7866 8.7891 9.5855 9.5861 9.6433 9.6509 10.6653 10.6688 11.0400 11.0417 13.1691 13.1863 13.2116 13.2166 15.3836 15.3838 16.2666 16.2717 k =-0.4985 0.5000 0.3145 ( 5130 PWs) bands (ev): -44.2080 -44.2079 -23.2807 -23.2749 -20.6888 -20.6836 -20.2929 -20.2927 -14.1384 -14.1297 -6.3430 -6.3419 -5.9626 -5.9614 -4.9913 -4.9903 -2.7556 -2.5267 -0.9786 -0.9271 -0.7580 -0.5700 5.9237 5.9253 6.5985 6.5989 8.3086 8.3122 8.4967 8.5005 8.7943 8.7973 9.5857 9.5863 9.6202 9.6278 10.6669 10.6702 11.0393 11.0409 13.2193 13.2375 13.2636 13.2691 15.4160 15.4162 16.2492 16.2546 k =-0.4985 0.5000 0.3271 ( 5120 PWs) bands (ev): -44.2082 -44.2080 -23.3049 -23.2994 -20.6878 -20.6829 -20.2918 -20.2915 -14.0452 -14.0366 -6.3390 -6.3378 -5.9571 -5.9560 -4.9885 -4.9874 -2.8239 -2.5984 -1.0491 -0.9730 -0.8413 -0.6832 5.9246 5.9260 6.6008 6.6013 8.3800 8.3841 8.5760 8.5801 8.8024 8.8060 9.5847 9.5854 9.6004 9.6075 10.6684 10.6715 11.0385 11.0402 13.2742 13.2933 13.3206 13.3265 15.4481 15.4484 16.2308 16.2366 k =-0.4985 0.5000 0.3396 ( 5118 PWs) bands (ev): -44.2083 -44.2081 -23.3279 -23.3227 -20.6869 -20.6822 -20.2907 -20.2905 -13.9546 -13.9461 -6.3351 -6.3339 -5.9518 -5.9507 -4.9858 -4.9846 -2.8912 -2.6715 -1.1259 -1.0202 -0.9076 -0.7863 5.9255 5.9267 6.6031 6.6035 8.4469 8.4515 8.6505 8.6551 8.8109 8.8156 9.5752 9.5800 9.5912 9.5939 10.6698 10.6727 11.0378 11.0394 13.3337 13.3536 13.3824 13.3885 15.4800 15.4804 16.2115 16.2176 k =-0.4985 0.5000 0.3522 ( 5104 PWs) bands (ev): -44.2084 -44.2083 -23.3496 -23.3447 -20.6860 -20.6816 -20.2896 -20.2894 -13.8672 -13.8589 -6.3314 -6.3301 -5.9467 -5.9456 -4.9832 -4.9819 -2.9570 -2.7454 -1.2042 -1.0708 -0.9607 -0.8769 5.9263 5.9274 6.6052 6.6056 8.5088 8.5138 8.7190 8.7246 8.8199 8.8267 9.5598 9.5667 9.5903 9.5909 10.6711 10.6739 11.0371 11.0387 13.3975 13.4182 13.4486 13.4550 15.5116 15.5120 16.1913 16.1979 k =-0.4985 0.5000 0.3648 ( 5106 PWs) bands (ev): -44.2085 -44.2084 -23.3699 -23.3653 -20.6851 -20.6810 -20.2887 -20.2885 -13.7836 -13.7756 -6.3279 -6.3266 -5.9418 -5.9407 -4.9807 -4.9794 -3.0207 -2.8194 -1.2797 -1.1270 -1.0050 -0.9521 5.9271 5.9281 6.6072 6.6076 8.5651 8.5706 8.7783 8.7871 8.8305 8.8421 9.5460 9.5534 9.5903 9.5906 10.6723 10.6749 11.0364 11.0379 13.4654 13.4866 13.5189 13.5254 15.5426 15.5431 16.1703 16.1773 k =-0.4985 0.5000 0.3774 ( 5110 PWs) bands (ev): -44.2086 -44.2085 -23.3886 -23.3844 -20.6842 -20.6805 -20.2878 -20.2876 -13.7045 -13.6968 -6.3246 -6.3233 -5.9372 -5.9362 -4.9783 -4.9770 -3.0815 -2.8926 -1.3494 -1.1892 -1.0431 -1.0113 5.9279 5.9288 6.6092 6.6095 8.6156 8.6213 8.8184 8.8294 8.8558 8.8712 9.5349 9.5423 9.5906 9.5909 10.6735 10.6759 11.0358 11.0373 13.5366 13.5583 13.5926 13.5992 15.5732 15.5738 16.1486 16.1561 k =-0.4985 0.5000 0.3900 ( 5110 PWs) bands (ev): -44.2087 -44.2086 -23.4058 -23.4020 -20.6834 -20.6800 -20.2869 -20.2868 -13.6304 -13.6232 -6.3215 -6.3202 -5.9329 -5.9319 -4.9762 -4.9747 -3.1387 -2.9642 -1.4119 -1.2544 -1.0762 -1.0572 5.9286 5.9294 6.6109 6.6112 8.6600 8.6658 8.8376 8.8426 8.9045 8.9151 9.5267 9.5340 9.5909 9.5912 10.6745 10.6768 11.0353 11.0366 13.6105 13.6324 13.6689 13.6754 15.6030 15.6038 16.1262 16.1342 k =-0.4985 0.5000 0.4025 ( 5110 PWs) bands (ev): -44.2088 -44.2087 -23.4213 -23.4179 -20.6826 -20.6796 -20.2861 -20.2860 -13.5621 -13.5554 -6.3187 -6.3175 -5.9289 -5.9280 -4.9741 -4.9727 -3.1915 -3.0330 -1.4666 -1.3187 -1.1053 -1.0935 5.9292 5.9299 6.6125 6.6128 8.6982 8.7041 8.8498 8.8519 8.9509 8.9597 9.5214 9.5284 9.5912 9.5916 10.6755 10.6776 11.0348 11.0360 13.6860 13.7076 13.7466 13.7529 15.6319 15.6329 16.1034 16.1119 k =-0.4985 0.5000 0.4151 ( 5117 PWs) bands (ev): -44.2089 -44.2088 -23.4351 -23.4321 -20.6819 -20.6793 -20.2854 -20.2853 -13.5001 -13.4940 -6.3161 -6.3150 -5.9253 -5.9244 -4.9723 -4.9709 -3.2392 -3.0980 -1.5133 -1.3790 -1.1307 -1.1232 5.9298 5.9304 6.6140 6.6142 8.7305 8.7363 8.8594 8.8601 8.9919 8.9999 9.5188 9.5254 9.5915 9.5919 10.6764 10.6783 11.0343 11.0355 13.7616 13.7827 13.8242 13.8303 15.6597 15.6610 16.0803 16.0893 k =-0.4985 0.5000 0.4277 ( 5121 PWs) bands (ev): -44.2090 -44.2089 -23.4471 -23.4445 -20.6812 -20.6790 -20.2848 -20.2847 -13.4450 -13.4396 -6.3139 -6.3128 -5.9221 -5.9213 -4.9706 -4.9693 -3.2810 -3.1582 -1.5518 -1.4340 -1.1525 -1.1476 5.9303 5.9308 6.6153 6.6155 8.7574 8.7631 8.8671 8.8673 9.0273 9.0349 9.5184 9.5245 9.5918 9.5922 10.6771 10.6789 11.0339 11.0351 13.8355 13.8556 13.8998 13.9055 15.6861 15.6877 16.0574 16.0667 k =-0.4985 0.5000 0.4403 ( 5122 PWs) bands (ev): -44.2090 -44.2090 -23.4574 -23.4552 -20.6806 -20.6787 -20.2843 -20.2842 -13.3973 -13.3927 -6.3120 -6.3109 -5.9194 -5.9185 -4.9692 -4.9680 -3.3161 -3.2126 -1.5825 -1.4826 -1.1710 -1.1677 5.9308 5.9312 6.6164 6.6165 8.7796 8.7851 8.8727 8.8735 9.0569 9.0644 9.5198 9.5253 9.5921 9.5925 10.6778 10.6794 11.0336 11.0347 13.9057 13.9241 13.9713 13.9764 15.7107 15.7126 16.0353 16.0446 k =-0.4985 0.5000 0.4529 ( 5120 PWs) bands (ev): -44.2091 -44.2090 -23.4657 -23.4640 -20.6801 -20.6786 -20.2839 -20.2838 -13.3575 -13.3537 -6.3103 -6.3094 -5.9171 -5.9163 -4.9679 -4.9669 -3.3438 -3.2603 -1.6054 -1.5245 -1.1860 -1.1838 5.9312 5.9315 6.6173 6.6174 8.7974 8.8028 8.8766 8.8777 9.0810 9.0884 9.5223 9.5270 9.5923 9.5927 10.6783 10.6798 11.0334 11.0343 13.9696 13.9856 14.0359 14.0402 15.7329 15.7351 16.0146 16.0237 k =-0.4985 0.5000 0.4654 ( 5096 PWs) bands (ev): -44.2091 -44.2091 -23.4722 -23.4709 -20.6797 -20.6785 -20.2835 -20.2835 -13.3259 -13.3230 -6.3090 -6.3083 -5.9153 -5.9145 -4.9669 -4.9661 -3.3637 -3.3006 -1.6206 -1.5595 -1.1976 -1.1962 5.9315 5.9318 6.6180 6.6181 8.8116 8.8167 8.8788 8.8801 9.0996 9.1069 9.5251 9.5291 9.5925 9.5929 10.6788 10.6801 11.0332 11.0341 14.0243 14.0372 14.0907 14.0942 15.7521 15.7543 15.9966 16.0047 k =-0.4985 0.5000 0.4780 ( 5090 PWs) bands (ev): -44.2091 -44.2091 -23.4768 -23.4760 -20.6793 -20.6785 -20.2833 -20.2832 -13.3030 -13.3010 -6.3081 -6.3074 -5.9140 -5.9132 -4.9662 -4.9656 -3.3751 -3.3329 -1.6285 -1.5876 -1.2059 -1.2051 5.9318 5.9319 6.6185 6.6186 8.8221 8.8270 8.8798 8.8809 9.1128 9.1201 9.5276 9.5309 9.5927 9.5931 10.6791 10.6803 11.0331 11.0339 14.0669 14.0760 14.1328 14.1353 15.7672 15.7692 15.9826 15.9888 k =-0.4985 0.5000 0.4906 ( 5088 PWs) bands (ev): -44.2091 -44.2091 -23.4795 -23.4791 -20.6790 -20.6786 -20.2831 -20.2831 -13.2889 -13.2879 -6.3075 -6.3069 -5.9132 -5.9125 -4.9657 -4.9653 -3.3779 -3.3568 -1.6290 -1.6085 -1.2109 -1.2104 5.9319 5.9320 6.6188 6.6189 8.8287 8.8335 8.8800 8.8807 9.1207 9.1279 9.5294 9.5322 9.5927 9.5932 10.6793 10.6804 11.0330 11.0338 14.0947 14.0995 14.1596 14.1609 15.7774 15.7786 15.9741 15.9776 k =-0.4985 0.5000 0.5032 ( 5084 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6788 -20.6787 -20.2831 -20.2830 -13.2839 -13.2839 -6.3073 -6.3068 -5.9130 -5.9122 -4.9655 -4.9653 -3.3718 -3.3718 -1.6224 -1.6223 -1.2124 -1.2123 5.9320 5.9320 6.6190 6.6190 8.8310 8.8358 8.8802 8.8804 9.1233 9.1306 9.5300 9.5327 9.5928 9.5932 10.6793 10.6805 11.0330 11.0337 14.1055 14.1062 14.1689 14.1695 15.7813 15.7814 15.9722 15.9726 k =-0.4985 0.5000 0.5032 ( 5084 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6788 -20.6787 -20.2831 -20.2830 -13.2839 -13.2839 -6.3073 -6.3068 -5.9130 -5.9122 -4.9655 -4.9653 -3.3718 -3.3718 -1.6224 -1.6223 -1.2124 -1.2123 5.9320 5.9320 6.6190 6.6190 8.8310 8.8358 8.8802 8.8804 9.1233 9.1306 9.5300 9.5327 9.5928 9.5932 10.6793 10.6805 11.0330 11.0337 14.1055 14.1062 14.1689 14.1695 15.7813 15.7814 15.9722 15.9726 k =-0.5000 0.4985 0.5032 ( 5088 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6787 -20.6787 -20.2831 -20.2831 -13.2839 -13.2839 -6.3070 -6.3070 -5.9126 -5.9126 -4.9654 -4.9654 -3.3718 -3.3718 -1.6223 -1.6223 -1.2124 -1.2124 5.9319 5.9319 6.6189 6.6189 8.8334 8.8334 8.8805 8.8805 9.1270 9.1270 9.5313 9.5313 9.5932 9.5932 10.6797 10.6797 11.0331 11.0331 14.1059 14.1059 14.1692 14.1692 15.7813 15.7813 15.9725 15.9725 k =-0.5000 0.4985 0.5032 ( 5088 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6787 -20.6787 -20.2831 -20.2831 -13.2839 -13.2839 -6.3070 -6.3070 -5.9126 -5.9126 -4.9654 -4.9654 -3.3718 -3.3718 -1.6223 -1.6223 -1.2124 -1.2124 5.9319 5.9319 6.6189 6.6189 8.8334 8.8334 8.8805 8.8805 9.1270 9.1270 9.5313 9.5313 9.5932 9.5932 10.6797 10.6797 11.0331 11.0331 14.1059 14.1059 14.1692 14.1692 15.7813 15.7813 15.9725 15.9725 k =-0.5000 0.4985 0.4906 ( 5086 PWs) bands (ev): -44.2091 -44.2091 -23.4795 -23.4791 -20.6790 -20.6786 -20.2831 -20.2831 -13.2889 -13.2879 -6.3072 -6.3071 -5.9128 -5.9128 -4.9657 -4.9654 -3.3779 -3.3568 -1.6290 -1.6085 -1.2109 -1.2105 5.9319 5.9319 6.6188 6.6189 8.8307 8.8317 8.8802 8.8809 9.1240 9.1247 9.5302 9.5313 9.5932 9.5932 10.6795 10.6798 11.0330 11.0332 14.0948 14.0995 14.1596 14.1609 15.7774 15.7785 15.9742 15.9777 k =-0.5000 0.4985 0.4780 ( 5090 PWs) bands (ev): -44.2091 -44.2091 -23.4768 -23.4760 -20.6793 -20.6785 -20.2833 -20.2832 -13.3030 -13.3010 -6.3079 -6.3075 -5.9136 -5.9136 -4.9662 -4.9657 -3.3751 -3.3330 -1.6285 -1.5876 -1.2060 -1.2051 5.9317 5.9319 6.6185 6.6186 8.8237 8.8255 8.8800 8.8810 9.1158 9.1171 9.5282 9.5303 9.5931 9.5932 10.6792 10.6797 11.0331 11.0333 14.0669 14.0760 14.1329 14.1353 15.7672 15.7692 15.9826 15.9889 k =-0.5000 0.4985 0.4654 ( 5090 PWs) bands (ev): -44.2091 -44.2091 -23.4722 -23.4709 -20.6797 -20.6785 -20.2835 -20.2835 -13.3259 -13.3230 -6.3088 -6.3083 -5.9149 -5.9149 -4.9670 -4.9662 -3.3637 -3.3007 -1.6207 -1.5595 -1.1977 -1.1962 5.9315 5.9317 6.6180 6.6181 8.8130 8.8154 8.8790 8.8802 9.1023 9.1043 9.5255 9.5286 9.5929 9.5931 10.6789 10.6796 11.0331 11.0336 14.0243 14.0372 14.0907 14.0942 15.7521 15.7543 15.9966 16.0047 k =-0.5000 0.4985 0.4529 ( 5118 PWs) bands (ev): -44.2091 -44.2090 -23.4657 -23.4640 -20.6801 -20.6786 -20.2839 -20.2838 -13.3575 -13.3536 -6.3101 -6.3095 -5.9167 -5.9167 -4.9680 -4.9670 -3.3438 -3.2603 -1.6054 -1.5245 -1.1860 -1.1838 5.9312 5.9315 6.6173 6.6174 8.7988 8.8015 8.8768 8.8778 9.0834 9.0861 9.5225 9.5267 9.5927 9.5929 10.6784 10.6793 11.0333 11.0338 13.9696 13.9856 14.0359 14.0402 15.7329 15.7351 16.0147 16.0237 k =-0.5000 0.4985 0.4403 ( 5124 PWs) bands (ev): -44.2090 -44.2090 -23.4574 -23.4552 -20.6806 -20.6787 -20.2843 -20.2842 -13.3973 -13.3927 -6.3118 -6.3110 -5.9190 -5.9189 -4.9692 -4.9681 -3.3161 -3.2126 -1.5825 -1.4826 -1.1710 -1.1677 5.9308 5.9312 6.6163 6.6165 8.7808 8.7839 8.8729 8.8736 9.0589 9.0625 9.5200 9.5250 9.5925 9.5926 10.6778 10.6789 11.0335 11.0342 13.9058 13.9241 13.9713 13.9764 15.7107 15.7126 16.0353 16.0447 k =-0.5000 0.4985 0.4277 ( 5118 PWs) bands (ev): -44.2090 -44.2089 -23.4471 -23.4445 -20.6812 -20.6790 -20.2848 -20.2847 -13.4450 -13.4396 -6.3137 -6.3128 -5.9217 -5.9216 -4.9707 -4.9694 -3.2810 -3.1582 -1.5518 -1.4340 -1.1525 -1.1476 5.9303 5.9308 6.6153 6.6154 8.7587 8.7620 8.8673 8.8675 9.0289 9.0334 9.5185 9.5243 9.5922 9.5923 10.6771 10.6785 11.0338 11.0346 13.8356 13.8556 13.8999 13.9055 15.6861 15.6877 16.0575 16.0668 k =-0.5000 0.4985 0.4151 ( 5118 PWs) bands (ev): -44.2089 -44.2088 -23.4351 -23.4321 -20.6819 -20.6793 -20.2854 -20.2853 -13.5001 -13.4940 -6.3160 -6.3150 -5.9249 -5.9248 -4.9723 -4.9710 -3.2392 -3.0980 -1.5133 -1.3790 -1.1307 -1.1232 5.9298 5.9304 6.6140 6.6142 8.7317 8.7352 8.8596 8.8603 8.9932 8.9987 9.5188 9.5253 9.5919 9.5920 10.6763 10.6779 11.0342 11.0351 13.7616 13.7827 13.8242 13.8303 15.6597 15.6610 16.0804 16.0893 k =-0.5000 0.4985 0.4025 ( 5110 PWs) bands (ev): -44.2088 -44.2087 -23.4213 -23.4179 -20.6826 -20.6796 -20.2861 -20.2860 -13.5621 -13.5554 -6.3185 -6.3175 -5.9285 -5.9284 -4.9742 -4.9728 -3.1916 -3.0330 -1.4666 -1.3187 -1.1053 -1.0936 5.9292 5.9299 6.6125 6.6128 8.6993 8.7030 8.8500 8.8521 8.9518 8.9588 9.5214 9.5283 9.5916 9.5917 10.6754 10.6772 11.0346 11.0356 13.6860 13.7077 13.7467 13.7530 15.6319 15.6329 16.1034 16.1119 k =-0.5000 0.4985 0.3900 ( 5110 PWs) bands (ev): -44.2087 -44.2086 -23.4058 -23.4020 -20.6834 -20.6800 -20.2869 -20.2868 -13.6304 -13.6232 -6.3213 -6.3203 -5.9324 -5.9323 -4.9762 -4.9748 -3.1387 -2.9642 -1.4119 -1.2544 -1.0762 -1.0572 5.9285 5.9293 6.6109 6.6112 8.6611 8.6647 8.8379 8.8427 8.9049 8.9147 9.5267 9.5339 9.5912 9.5913 10.6745 10.6765 11.0351 11.0362 13.6106 13.6324 13.6690 13.6754 15.6030 15.6038 16.1262 16.1342 k =-0.5000 0.4985 0.3774 ( 5110 PWs) bands (ev): -44.2086 -44.2085 -23.3886 -23.3844 -20.6842 -20.6805 -20.2877 -20.2876 -13.7045 -13.6968 -6.3244 -6.3233 -5.9367 -5.9366 -4.9784 -4.9771 -3.0815 -2.8926 -1.3494 -1.1892 -1.0431 -1.0113 5.9278 5.9287 6.6091 6.6095 8.6167 8.6202 8.8188 8.8293 8.8559 8.8712 9.5349 9.5423 9.5909 9.5910 10.6734 10.6756 11.0356 11.0369 13.5367 13.5583 13.5927 13.5992 15.5732 15.5738 16.1486 16.1561 k =-0.5000 0.4985 0.3648 ( 5106 PWs) bands (ev): -44.2085 -44.2084 -23.3699 -23.3653 -20.6851 -20.6810 -20.2887 -20.2885 -13.7836 -13.7756 -6.3277 -6.3267 -5.9413 -5.9412 -4.9808 -4.9795 -3.0207 -2.8194 -1.2797 -1.1270 -1.0050 -0.9521 5.9271 5.9281 6.6072 6.6076 8.5662 8.5695 8.7793 8.7863 8.8306 8.8422 9.5460 9.5533 9.5906 9.5908 10.6722 10.6746 11.0362 11.0376 13.4654 13.4867 13.5190 13.5254 15.5426 15.5431 16.1703 16.1774 k =-0.5000 0.4985 0.3522 ( 5104 PWs) bands (ev): -44.2084 -44.2083 -23.3496 -23.3447 -20.6860 -20.6816 -20.2896 -20.2895 -13.8672 -13.8589 -6.3312 -6.3302 -5.9462 -5.9460 -4.9832 -4.9820 -2.9570 -2.7454 -1.2042 -1.0708 -0.9607 -0.8769 5.9263 5.9274 6.6052 6.6056 8.5098 8.5128 8.7206 8.7231 8.8201 8.8268 9.5598 9.5668 9.5905 9.5911 10.6710 10.6736 11.0369 11.0383 13.3976 13.4182 13.4487 13.4550 15.5116 15.5120 16.1913 16.1979 k =-0.5000 0.4985 0.3396 ( 5118 PWs) bands (ev): -44.2083 -44.2081 -23.3279 -23.3227 -20.6869 -20.6822 -20.2907 -20.2905 -13.9546 -13.9461 -6.3349 -6.3340 -5.9513 -5.9511 -4.9858 -4.9847 -2.8912 -2.6715 -1.1259 -1.0202 -0.9076 -0.7864 5.9254 5.9267 6.6030 6.6035 8.4480 8.4504 8.6524 8.6532 8.8110 8.8158 9.5753 9.5802 9.5914 9.5940 10.6697 10.6724 11.0376 11.0390 13.3337 13.3537 13.3824 13.3885 15.4800 15.4804 16.2115 16.2177 k =-0.5000 0.4985 0.3271 ( 5122 PWs) bands (ev): -44.2082 -44.2080 -23.3049 -23.2994 -20.6878 -20.6829 -20.2918 -20.2916 -14.0452 -14.0366 -6.3388 -6.3379 -5.9566 -5.9564 -4.9885 -4.9875 -2.8239 -2.5984 -1.0491 -0.9730 -0.8413 -0.6832 5.9246 5.9260 6.6008 6.6012 8.3812 8.3829 8.5780 8.5782 8.8026 8.8062 9.5851 9.5855 9.6003 9.6074 10.6683 10.6712 11.0383 11.0398 13.2743 13.2933 13.3207 13.3265 15.4481 15.4484 16.2308 16.2366 k =-0.5000 0.4985 0.3145 ( 5128 PWs) bands (ev): -44.2080 -44.2079 -23.2807 -23.2749 -20.6888 -20.6836 -20.2929 -20.2927 -14.1384 -14.1297 -6.3428 -6.3420 -5.9621 -5.9619 -4.9913 -4.9904 -2.7557 -2.5267 -0.9786 -0.9272 -0.7580 -0.5700 5.9237 5.9252 6.5984 6.5989 8.3101 8.3108 8.4985 8.4987 8.7945 8.7974 9.5861 9.5864 9.6201 9.6277 10.6668 10.6699 11.0390 11.0406 13.2194 13.2375 13.2637 13.2691 15.4160 15.4162 16.2492 16.2546 k =-0.5000 0.4985 0.3019 ( 5128 PWs) bands (ev): -44.2079 -44.2077 -23.2553 -23.2493 -20.6898 -20.6843 -20.2941 -20.2938 -14.2335 -14.2249 -6.3469 -6.3462 -5.9677 -5.9675 -4.9942 -4.9934 -2.6870 -2.4568 -0.9159 -0.8815 -0.6567 -0.4486 5.9228 5.9245 6.5960 6.5965 8.2347 8.2351 8.4150 8.4152 8.7868 8.7892 9.5859 9.5862 9.6433 9.6508 10.6652 10.6685 11.0398 11.0414 13.1692 13.1863 13.2117 13.2166 15.3836 15.3838 16.2667 16.2717 k =-0.5000 0.4985 0.2893 ( 5124 PWs) bands (ev): -44.2078 -44.2076 -23.2290 -23.2227 -20.6907 -20.6850 -20.2953 -20.2950 -14.3300 -14.3215 -6.3511 -6.3505 -5.9734 -5.9732 -4.9971 -4.9964 -2.6183 -2.3889 -0.8591 -0.8355 -0.5402 -0.3203 5.9219 5.9237 6.5935 6.5941 8.1553 8.1571 8.3281 8.3282 8.7794 8.7815 9.5854 9.5857 9.6683 9.6758 10.6636 10.6670 11.0406 11.0422 13.1236 13.1398 13.1645 13.1689 15.3511 15.3513 16.2831 16.2878 k =-0.5000 0.4985 0.2767 ( 5124 PWs) bands (ev): -44.2076 -44.2074 -23.2018 -23.1953 -20.6917 -20.6857 -20.2965 -20.2962 -14.4273 -14.4189 -6.3554 -6.3549 -5.9791 -5.9789 -5.0000 -4.9994 -2.5499 -2.3233 -0.8058 -0.7890 -0.4123 -0.1862 5.9210 5.9230 6.5910 6.5916 8.0733 8.0765 8.2384 8.2384 8.7724 8.7742 9.5849 9.5852 9.6949 9.7023 10.6619 10.6654 11.0414 11.0430 13.0825 13.0977 13.1222 13.1260 15.3185 15.3188 16.2986 16.3030 k =-0.5000 0.4985 0.2642 ( 5120 PWs) bands (ev): -44.2075 -44.2073 -23.1739 -23.1672 -20.6926 -20.6864 -20.2977 -20.2975 -14.5248 -14.5165 -6.3597 -6.3592 -5.9848 -5.9846 -5.0029 -5.0024 -2.4822 -2.2599 -0.7541 -0.7418 -0.2755 -0.0473 5.9201 5.9223 6.5885 6.5891 7.9891 7.9941 8.1464 8.1467 8.7657 8.7673 9.5843 9.5846 9.7227 9.7300 10.6601 10.6638 11.0421 11.0437 13.0459 13.0600 13.0846 13.0876 15.2859 15.2862 16.2322 16.2410 k =-0.5000 0.4985 0.2516 ( 5124 PWs) bands (ev): -44.2073 -44.2071 -23.1454 -23.1386 -20.6935 -20.6871 -20.2990 -20.2987 -14.6220 -14.6139 -6.3640 -6.3636 -5.9905 -5.9903 -5.0058 -5.0054 -2.4154 -2.1988 -0.7034 -0.6941 -0.1321 0.0955 5.9193 5.9216 6.5859 6.5866 7.9037 7.9105 8.0530 8.0535 8.7593 8.7607 9.5837 9.5840 9.7515 9.7586 10.6582 10.6621 11.0429 11.0445 13.0134 13.0265 13.0514 13.0537 15.2532 15.2536 16.0110 16.0210 k =-0.5000 0.4985 0.2390 ( 5124 PWs) bands (ev): -44.2072 -44.2070 -23.1165 -23.1096 -20.6943 -20.6879 -20.3002 -20.3000 -14.7183 -14.7105 -6.3683 -6.3680 -5.9961 -5.9959 -5.0087 -5.0084 -2.3498 -2.1400 -0.6531 -0.6460 0.0161 0.2411 5.9185 5.9210 6.5834 6.5841 7.8175 7.8263 7.9587 7.9596 8.7532 8.7545 9.5830 9.5833 9.7809 9.7880 10.6563 10.6603 11.0436 11.0451 12.9847 12.9970 13.0225 13.0240 15.2204 15.2209 15.7911 15.8022 k =-0.5000 0.4985 0.2264 ( 5124 PWs) bands (ev): -44.2070 -44.2068 -23.0874 -23.0803 -20.6951 -20.6886 -20.3015 -20.3012 -14.8133 -14.8057 -6.3725 -6.3723 -6.0017 -6.0015 -5.0115 -5.0113 -2.2856 -2.0836 -0.6032 -0.5976 0.1679 0.3886 5.9177 5.9204 6.5809 6.5816 7.7313 7.7421 7.8644 7.8655 8.7475 8.7486 9.5824 9.5827 9.8109 9.8179 10.6543 10.6584 11.0443 11.0458 12.9597 12.9711 12.9974 12.9982 15.1871 15.1878 15.5739 15.5863 k =-0.5000 0.4985 0.2139 ( 5120 PWs) bands (ev): -44.2069 -44.2067 -23.0581 -23.0511 -20.6959 -20.6893 -20.3027 -20.3024 -14.9063 -14.8991 -6.3767 -6.3766 -6.0071 -6.0069 -5.0143 -5.0142 -2.2229 -2.0295 -0.5536 -0.5493 0.3217 0.5369 5.9170 5.9199 6.5784 6.5792 7.6456 7.6586 7.7706 7.7719 8.7420 8.7430 9.5818 9.5820 9.8410 9.8479 10.6523 10.6565 11.0449 11.0464 12.9381 12.9488 12.9759 12.9760 15.1514 15.1524 15.3624 15.3761 k =-0.5000 0.4985 0.2013 ( 5124 PWs) bands (ev): -44.2067 -44.2066 -23.0290 -23.0220 -20.6966 -20.6899 -20.3039 -20.3036 -14.9971 -14.9901 -6.3807 -6.3807 -6.0124 -6.0122 -5.0170 -5.0169 -2.1620 -1.9779 -0.5046 -0.5012 0.4764 0.6851 5.9164 5.9195 6.5760 6.5768 7.5612 7.5763 7.6780 7.6796 8.7368 8.7378 9.5811 9.5814 9.8712 9.8780 10.6502 10.6545 11.0455 11.0470 12.9195 12.9295 12.9570 12.9579 15.0925 15.0943 15.1798 15.1917 k =-0.5000 0.4985 0.1887 ( 5120 PWs) bands (ev): -44.2066 -44.2064 -23.0002 -22.9933 -20.6972 -20.6906 -20.3051 -20.3048 -15.0850 -15.0783 -6.3847 -6.3847 -6.0174 -6.0173 -5.0196 -5.0196 -2.1030 -1.9286 -0.4564 -0.4537 0.6307 0.8320 5.9159 5.9191 6.5736 6.5745 7.4786 7.4958 7.5872 7.5890 8.7320 8.7328 9.5805 9.5807 9.9012 9.9079 10.6481 10.6524 11.0461 11.0475 12.9037 12.9132 12.9411 12.9428 14.9231 14.9347 15.1123 15.1152 k =-0.5000 0.4985 0.1761 ( 5128 PWs) bands (ev): -44.2065 -44.2063 -22.9719 -22.9651 -20.6978 -20.6912 -20.3062 -20.3059 -15.1696 -15.1633 -6.3886 -6.3885 -6.0223 -6.0222 -5.0222 -5.0221 -2.0461 -1.8819 -0.4091 -0.4071 0.7834 0.9765 5.9154 5.9188 6.5713 6.5722 7.3985 7.4176 7.4990 7.5009 8.7274 8.7282 9.5799 9.5801 9.9308 9.9374 10.6459 10.6502 11.0466 11.0480 12.8904 12.8994 12.9279 12.9305 14.7266 14.7407 15.0784 15.0798 k =-0.5000 0.4985 0.1635 ( 5132 PWs) bands (ev): -44.2063 -44.2062 -22.9443 -22.9377 -20.6982 -20.6918 -20.3073 -20.3070 -15.2505 -15.2447 -6.3923 -6.3922 -6.0270 -6.0268 -5.0246 -5.0245 -1.9915 -1.8379 -0.3632 -0.3616 0.9334 1.1175 5.9151 5.9186 6.5692 6.5701 7.3214 7.3421 7.4139 7.4159 8.7232 8.7238 9.5793 9.5795 9.9597 9.9662 10.6437 10.6480 11.0471 11.0484 12.8793 12.8880 12.9172 12.9205 14.5335 14.5490 15.0489 15.0498 k =-0.5000 0.4985 0.1510 ( 5128 PWs) bands (ev): -44.2062 -44.2060 -22.9176 -22.9112 -20.6986 -20.6924 -20.3083 -20.3081 -15.3273 -15.3219 -6.3958 -6.3956 -6.0314 -6.0312 -5.0269 -5.0268 -1.9395 -1.7966 -0.3188 -0.3176 1.0794 1.2538 5.9149 5.9184 6.5671 6.5681 7.2479 7.2699 7.3326 7.3345 8.7192 8.7198 9.5788 9.5790 9.9878 9.9941 10.6415 10.6458 11.0476 11.0487 12.8702 12.8786 12.9086 12.9127 14.3473 14.3640 15.0214 15.0221 k =-0.5000 0.4985 0.1384 ( 5136 PWs) bands (ev): -44.2061 -44.2059 -22.8921 -22.8859 -20.6990 -20.6930 -20.3093 -20.3091 -15.3997 -15.3946 -6.3990 -6.3989 -6.0355 -6.0353 -5.0290 -5.0289 -1.8901 -1.7583 -0.2763 -0.2754 1.2204 1.3843 5.9147 5.9184 6.5652 6.5662 7.1785 7.2013 7.2557 7.2572 8.7156 8.7161 9.5783 9.5784 10.0148 10.0209 10.6392 10.6435 11.0480 11.0491 12.8628 12.8710 12.9018 12.9069 14.1696 14.1872 14.9957 14.9962 k =-0.5000 0.4985 0.1258 ( 5144 PWs) bands (ev): -44.2060 -44.2058 -22.8678 -22.8620 -20.6992 -20.6935 -20.3103 -20.3100 -15.4671 -15.4624 -6.4021 -6.4019 -6.0393 -6.0392 -5.0310 -5.0309 -1.8436 -1.7231 -0.2360 -0.2354 1.3550 1.5078 5.9147 5.9184 6.5634 6.5645 7.1137 7.1366 7.1838 7.1848 8.7122 8.7127 9.5778 9.5779 10.0405 10.0463 10.6370 10.6411 11.0483 11.0493 12.8569 12.8650 12.8968 12.9028 14.0016 14.0202 14.9716 14.9720 k =-0.5000 0.4985 0.1132 ( 5144 PWs) bands (ev): -44.2059 -44.2057 -22.8451 -22.8397 -20.6994 -20.6941 -20.3111 -20.3109 -15.5292 -15.5250 -6.4049 -6.4047 -6.0428 -6.0427 -5.0328 -5.0327 -1.8001 -1.6912 -0.1983 -0.1979 1.4822 1.6231 5.9148 5.9185 6.5618 6.5629 7.0539 7.0761 7.1175 7.1176 8.7092 8.7096 9.5773 9.5775 10.0647 10.0702 10.6349 10.6388 11.0487 11.0496 12.8522 12.8602 12.8932 12.9002 13.8445 13.8639 14.9492 14.9496 k =-0.5000 0.4985 0.1006 ( 5148 PWs) bands (ev): -44.2058 -44.2057 -22.8241 -22.8191 -20.6994 -20.6946 -20.3119 -20.3117 -15.5858 -15.5820 -6.4074 -6.4073 -6.0460 -6.0459 -5.0345 -5.0344 -1.7600 -1.6627 -0.1635 -0.1632 1.6009 1.7289 5.9151 5.9186 6.5604 6.5615 6.9996 7.0202 7.0561 7.0574 8.7065 8.7069 9.5769 9.5771 10.0871 10.0923 10.6328 10.6365 11.0489 11.0498 12.8487 12.8566 12.8910 12.8990 13.6994 13.7196 14.9287 14.9290 k =-0.5000 0.4985 0.0881 ( 5148 PWs) bands (ev): -44.2057 -44.2056 -22.8051 -22.8006 -20.6995 -20.6950 -20.3126 -20.3124 -15.6365 -15.6331 -6.4097 -6.4096 -6.0488 -6.0487 -5.0359 -5.0358 -1.7233 -1.6378 -0.1319 -0.1317 1.7098 1.8243 5.9154 5.9187 6.5591 6.5602 6.9510 6.9692 7.0010 7.0038 8.7041 8.7044 9.5766 9.5767 10.1076 10.1123 10.6308 10.6343 11.0492 11.0499 12.8461 12.8538 12.8900 12.8991 13.5673 13.5882 14.9103 14.9105 k =-0.5000 0.4985 0.0755 ( 5152 PWs) bands (ev): -44.2056 -44.2055 -22.7881 -22.7841 -20.6994 -20.6955 -20.3132 -20.3130 -15.6810 -15.6781 -6.4117 -6.4116 -6.0513 -6.0512 -5.0372 -5.0371 -1.6902 -1.6167 -0.1038 -0.1037 1.8080 1.9081 5.9158 5.9189 6.5581 6.5592 6.9085 6.9235 6.9525 6.9570 8.7020 8.7023 9.5763 9.5763 10.1259 10.1302 10.6290 10.6322 11.0494 11.0500 12.8443 12.8517 12.8901 12.9004 13.4494 13.4708 14.8939 14.8942 k =-0.5000 0.4985 0.0629 ( 5152 PWs) bands (ev): -44.2055 -44.2055 -22.7733 -22.7700 -20.6993 -20.6959 -20.3137 -20.3136 -15.7190 -15.7166 -6.4134 -6.4133 -6.0534 -6.0534 -5.0383 -5.0382 -1.6609 -1.5995 -0.0795 -0.0795 1.8945 1.9794 5.9162 5.9190 6.5573 6.5583 6.8721 6.8838 6.9112 6.9171 8.7003 8.7005 9.5760 9.5761 10.1419 10.1456 10.6274 10.6302 11.0496 11.0501 12.8431 12.8501 12.8915 12.9029 13.3466 13.3681 14.8799 14.8801 k =-0.5000 0.4985 0.0503 ( 5168 PWs) bands (ev): -44.2055 -44.2054 -22.7610 -22.7583 -20.6991 -20.6964 -20.3142 -20.3140 -15.7504 -15.7485 -6.4148 -6.4147 -6.0552 -6.0551 -5.0392 -5.0391 -1.6357 -1.5863 -0.0592 -0.0592 1.9683 2.0372 5.9167 5.9190 6.5567 6.5576 6.8421 6.8504 6.8775 6.8840 8.6988 8.6990 9.5758 9.5758 10.1554 10.1584 10.6261 10.6284 11.0497 11.0502 12.8426 12.8488 12.8942 12.9064 13.2599 13.2810 14.8682 14.8684 k =-0.5000 0.4985 0.0377 ( 5160 PWs) bands (ev): -44.2054 -44.2054 -22.7512 -22.7491 -20.6989 -20.6968 -20.3145 -20.3144 -15.7750 -15.7735 -6.4159 -6.4158 -6.0565 -6.0565 -5.0399 -5.0399 -1.6145 -1.5774 -0.0433 -0.0432 2.0287 2.0810 5.9172 5.9191 6.5562 6.5570 6.8185 6.8239 6.8516 6.8578 8.6977 8.6978 9.5756 9.5756 10.1661 10.1685 10.6251 10.6268 11.0499 11.0502 12.8426 12.8478 12.8983 12.9106 13.1905 13.2099 14.8591 14.8591 k =-0.5000 0.4985 0.0252 ( 5156 PWs) bands (ev): -44.2054 -44.2054 -22.7440 -22.7426 -20.6986 -20.6972 -20.3147 -20.3147 -15.7926 -15.7916 -6.4167 -6.4166 -6.0575 -6.0575 -5.0404 -5.0404 -1.5975 -1.5727 -0.0317 -0.0317 2.0749 2.1101 5.9177 5.9190 6.5560 6.5566 6.8015 6.8047 6.8336 6.8385 8.6969 8.6970 9.5755 9.5755 10.1740 10.1756 10.6244 10.6256 11.0500 11.0502 12.8431 12.8468 12.9037 12.9144 13.1400 13.1557 14.8524 14.8525 k =-0.5000 0.4985 0.0126 ( 5164 PWs) bands (ev): -44.2054 -44.2053 -22.7396 -22.7388 -20.6983 -20.6976 -20.3149 -20.3148 -15.8031 -15.8026 -6.4171 -6.4171 -6.0581 -6.0581 -5.0407 -5.0407 -1.5847 -1.5724 -0.0247 -0.0247 2.1064 2.1241 5.9181 5.9188 6.5560 6.5563 6.7914 6.7928 6.8235 6.8262 8.6964 8.6965 9.5754 9.5754 10.1790 10.1798 10.6241 10.6247 11.0501 11.0502 12.8438 12.8458 12.9098 12.9163 13.1104 13.1196 14.8485 14.8485 k =-0.5000 0.4985 0.0000 ( 5168 PWs) bands (ev): -44.2053 -44.2053 -22.7378 -22.7378 -20.6979 -20.6979 -20.3149 -20.3149 -15.8064 -15.8064 -6.4173 -6.4173 -6.0583 -6.0583 -5.0408 -5.0408 -1.5764 -1.5764 -0.0224 -0.0224 2.1229 2.1229 5.9185 5.9185 6.5560 6.5560 6.7884 6.7884 6.8212 6.8212 8.6963 8.6963 9.5754 9.5754 10.1809 10.1809 10.6242 10.6242 11.0502 11.0502 12.8448 12.8448 12.9147 12.9147 13.1037 13.1037 14.8471 14.8471 k = 0.0000 0.0000 0.5032 ( 5090 PWs) bands (ev): -44.2120 -44.2120 -23.4957 -23.4957 -20.6037 -20.6037 -20.2005 -20.2005 -13.3861 -13.3861 -8.1208 -8.1208 -6.0906 -6.0906 -3.2924 -3.2924 -2.7660 -2.7660 -1.1475 -1.1475 -0.4757 -0.4757 5.5826 5.5826 5.6104 5.6104 6.8363 6.8363 8.1420 8.1420 8.7347 8.7347 8.9508 8.9508 11.4118 11.4118 13.6294 13.6294 13.6541 13.6541 13.8630 13.8630 14.7063 14.7063 14.7998 14.7998 15.9912 15.9912 k =-0.0089 0.0089 0.5032 ( 5090 PWs) bands (ev): -44.2120 -44.2120 -23.4957 -23.4957 -20.6037 -20.6037 -20.2006 -20.2006 -13.3861 -13.3861 -8.1198 -8.1198 -6.0904 -6.0904 -3.2930 -3.2930 -2.7670 -2.7670 -1.1479 -1.1479 -0.4764 -0.4764 5.5841 5.5841 5.6118 5.6118 6.8380 6.8380 8.1430 8.1430 8.7324 8.7324 8.9490 8.9490 11.4107 11.4107 13.6307 13.6307 13.6540 13.6540 13.8626 13.8626 14.7048 14.7048 14.7979 14.7979 15.9933 15.9933 k =-0.0179 0.0178 0.5032 ( 5092 PWs) bands (ev): -44.2120 -44.2120 -23.4957 -23.4957 -20.6039 -20.6039 -20.2008 -20.2008 -13.3858 -13.3858 -8.1168 -8.1168 -6.0901 -6.0901 -3.2946 -3.2946 -2.7700 -2.7700 -1.1492 -1.1492 -0.4786 -0.4786 5.5886 5.5886 5.6159 5.6159 6.8432 6.8432 8.1460 8.1460 8.7254 8.7254 8.9435 8.9435 11.4074 11.4074 13.6349 13.6349 13.6537 13.6537 13.8616 13.8616 14.7001 14.7001 14.7922 14.7922 15.9995 15.9995 k =-0.0268 0.0267 0.5032 ( 5100 PWs) bands (ev): -44.2120 -44.2120 -23.4956 -23.4956 -20.6042 -20.6042 -20.2011 -20.2011 -13.3854 -13.3854 -8.1118 -8.1118 -6.0894 -6.0894 -3.2972 -3.2972 -2.7751 -2.7751 -1.1514 -1.1514 -0.4822 -0.4822 5.5961 5.5961 5.6227 5.6227 6.8519 6.8519 8.1509 8.1509 8.7138 8.7138 8.9345 8.9345 11.4018 11.4018 13.6415 13.6415 13.6534 13.6534 13.8600 13.8600 14.6923 14.6923 14.7827 14.7827 16.0097 16.0097 k =-0.0357 0.0356 0.5032 ( 5108 PWs) bands (ev): -44.2120 -44.2120 -23.4955 -23.4955 -20.6046 -20.6046 -20.2016 -20.2016 -13.3849 -13.3849 -8.1048 -8.1048 -6.0886 -6.0886 -3.3010 -3.3010 -2.7821 -2.7821 -1.1545 -1.1545 -0.4872 -0.4872 5.6065 5.6065 5.6322 5.6322 6.8640 6.8640 8.1577 8.1577 8.6977 8.6977 8.9219 8.9219 11.3940 11.3940 13.6484 13.6484 13.6552 13.6552 13.8577 13.8577 14.6814 14.6814 14.7696 14.7696 16.0239 16.0239 k =-0.0446 0.0445 0.5032 ( 5116 PWs) bands (ev): -44.2120 -44.2120 -23.4954 -23.4954 -20.6052 -20.6052 -20.2022 -20.2022 -13.3842 -13.3842 -8.0959 -8.0959 -6.0874 -6.0874 -3.3060 -3.3060 -2.7910 -2.7910 -1.1585 -1.1585 -0.4936 -0.4936 5.6198 5.6198 5.6444 5.6444 6.8794 6.8794 8.1664 8.1664 8.6771 8.6771 8.9060 8.9060 11.3839 11.3839 13.6494 13.6494 13.6652 13.6652 13.8549 13.8549 14.6674 14.6674 14.7530 14.7530 16.0420 16.0420 k =-0.0536 0.0534 0.5032 ( 5112 PWs) bands (ev): -44.2119 -44.2119 -23.4953 -23.4953 -20.6059 -20.6059 -20.2029 -20.2029 -13.3833 -13.3833 -8.0850 -8.0850 -6.0861 -6.0861 -3.3121 -3.3121 -2.8017 -2.8017 -1.1632 -1.1632 -0.5013 -0.5013 5.6361 5.6361 5.6593 5.6593 6.8982 6.8982 8.1769 8.1769 8.6523 8.6523 8.8867 8.8867 11.3716 11.3716 13.6484 13.6484 13.6795 13.6795 13.8516 13.8516 14.6502 14.6502 14.7331 14.7331 16.0639 16.0639 k =-0.0625 0.0623 0.5032 ( 5120 PWs) bands (ev): -44.2119 -44.2119 -23.4951 -23.4951 -20.6066 -20.6066 -20.2038 -20.2038 -13.3823 -13.3823 -8.0722 -8.0722 -6.0845 -6.0845 -3.3195 -3.3195 -2.8140 -2.8140 -1.1688 -1.1688 -0.5103 -0.5103 5.6552 5.6552 5.6768 5.6768 6.9201 6.9201 8.1892 8.1892 8.6233 8.6233 8.8644 8.8644 11.3571 11.3571 13.6470 13.6470 13.6960 13.6960 13.8479 13.8479 14.6298 14.6298 14.7100 14.7100 16.0893 16.0893 k =-0.0714 0.0712 0.5032 ( 5120 PWs) bands (ev): -44.2119 -44.2119 -23.4949 -23.4949 -20.6075 -20.6075 -20.2048 -20.2048 -13.3811 -13.3811 -8.0574 -8.0574 -6.0826 -6.0826 -3.3281 -3.3281 -2.8279 -2.8279 -1.1751 -1.1751 -0.5206 -0.5206 5.6771 5.6771 5.6969 5.6969 6.9452 6.9452 8.2033 8.2033 8.5905 8.5905 8.8390 8.8390 11.3403 11.3403 13.6455 13.6455 13.7144 13.7144 13.8440 13.8440 14.6062 14.6062 14.6841 14.6841 16.1182 16.1182 k =-0.0804 0.0801 0.5032 ( 5116 PWs) bands (ev): -44.2118 -44.2118 -23.4947 -23.4947 -20.6085 -20.6085 -20.2059 -20.2059 -13.3798 -13.3798 -8.0408 -8.0408 -6.0806 -6.0806 -3.3382 -3.3382 -2.8432 -2.8432 -1.1822 -1.1822 -0.5321 -0.5321 5.7018 5.7018 5.7195 5.7195 6.9732 6.9732 8.2191 8.2191 8.5539 8.5539 8.8110 8.8110 11.3213 11.3213 13.6440 13.6440 13.7340 13.7340 13.8398 13.8398 14.5794 14.5794 14.6559 14.6559 16.1502 16.1502 k =-0.0893 0.0890 0.5032 ( 5116 PWs) bands (ev): -44.2118 -44.2118 -23.4945 -23.4945 -20.6096 -20.6096 -20.2071 -20.2071 -13.3783 -13.3783 -8.0223 -8.0223 -6.0783 -6.0783 -3.3498 -3.3498 -2.8597 -2.8597 -1.1901 -1.1901 -0.5447 -0.5447 5.7291 5.7291 5.7447 5.7447 7.0042 7.0042 8.2364 8.2364 8.5138 8.5138 8.7803 8.7803 11.3001 11.3001 13.6426 13.6426 13.7542 13.7542 13.8356 13.8356 14.5494 14.5494 14.6259 14.6259 16.1852 16.1852 k =-0.0982 0.0979 0.5032 ( 5120 PWs) bands (ev): -44.2118 -44.2118 -23.4943 -23.4943 -20.6108 -20.6108 -20.2085 -20.2085 -13.3767 -13.3767 -8.0019 -8.0019 -6.0757 -6.0757 -3.3629 -3.3629 -2.8773 -2.8773 -1.1985 -1.1985 -0.5584 -0.5584 5.7588 5.7588 5.7724 5.7724 7.0379 7.0379 8.2552 8.2552 8.4705 8.4705 8.7474 8.7474 11.2767 11.2767 13.6414 13.6414 13.7741 13.7741 13.8317 13.8317 14.5162 14.5162 14.5948 14.5948 16.2229 16.2229 k =-0.1071 0.1068 0.5032 ( 5124 PWs) bands (ev): -44.2117 -44.2117 -23.4940 -23.4940 -20.6121 -20.6121 -20.2099 -20.2099 -13.3750 -13.3750 -7.9797 -7.9797 -6.0730 -6.0730 -3.3777 -3.3777 -2.8957 -2.8957 -1.2077 -1.2077 -0.5731 -0.5731 5.7908 5.7908 5.8028 5.8028 7.0742 7.0742 8.2755 8.2755 8.4243 8.4243 8.7124 8.7124 11.2511 11.2511 13.6404 13.6404 13.7919 13.7919 13.8287 13.8287 14.4798 14.4798 14.5637 14.5637 16.2628 16.2628 k =-0.1161 0.1157 0.5032 ( 5120 PWs) bands (ev): -44.2117 -44.2117 -23.4937 -23.4937 -20.6135 -20.6135 -20.2115 -20.2115 -13.3732 -13.3732 -7.9557 -7.9557 -6.0701 -6.0701 -3.3943 -3.3943 -2.9148 -2.9148 -1.2174 -1.2174 -0.5888 -0.5888 5.8247 5.8247 5.8360 5.8360 7.1130 7.1130 8.2971 8.2971 8.3754 8.3754 8.6756 8.6756 11.2233 11.2233 13.6397 13.6397 13.8046 13.8046 13.8285 13.8285 14.4402 14.4402 14.5339 14.5339 16.3048 16.3048 k =-0.1250 0.1246 0.5032 ( 5122 PWs) bands (ev): -44.2116 -44.2116 -23.4934 -23.4934 -20.6150 -20.6150 -20.2131 -20.2131 -13.3712 -13.3712 -7.9299 -7.9299 -6.0669 -6.0669 -3.4127 -3.4127 -2.9343 -2.9343 -1.2276 -1.2276 -0.6053 -0.6053 5.8601 5.8601 5.8721 5.8721 7.1541 7.1541 8.3197 8.3197 8.3244 8.3244 8.6373 8.6373 11.1933 11.1933 13.6395 13.6395 13.8087 13.8087 13.8327 13.8327 14.3975 14.3975 14.5074 14.5074 16.3483 16.3483 k =-0.1339 0.1335 0.5032 ( 5126 PWs) bands (ev): -44.2115 -44.2115 -23.4931 -23.4931 -20.6166 -20.6166 -20.2148 -20.2148 -13.3691 -13.3691 -7.9025 -7.9025 -6.0635 -6.0635 -3.4332 -3.4332 -2.9540 -2.9540 -1.2384 -1.2384 -0.6226 -0.6226 5.8967 5.8967 5.9112 5.9112 7.1973 7.1973 8.2709 8.2709 8.3438 8.3438 8.5977 8.5977 11.1613 11.1613 13.6397 13.6397 13.8075 13.8075 13.8361 13.8361 14.3515 14.3515 14.4861 14.4861 16.3931 16.3931 k =-0.1429 0.1424 0.5032 ( 5134 PWs) bands (ev): -44.2115 -44.2115 -23.4928 -23.4928 -20.6183 -20.6183 -20.2167 -20.2167 -13.3669 -13.3669 -7.8733 -7.8733 -6.0600 -6.0600 -3.4557 -3.4557 -2.9738 -2.9738 -1.2496 -1.2496 -0.6406 -0.6406 5.9347 5.9347 5.9528 5.9528 7.2425 7.2425 8.2161 8.2161 8.3688 8.3688 8.5571 8.5571 11.1272 11.1272 13.6406 13.6406 13.8045 13.8045 13.8329 13.8329 14.3024 14.3024 14.4725 14.4725 16.4387 16.4387 k =-0.1518 0.1513 0.5032 ( 5130 PWs) bands (ev): -44.2114 -44.2114 -23.4924 -23.4924 -20.6200 -20.6200 -20.2186 -20.2186 -13.3646 -13.3646 -7.8426 -7.8426 -6.0563 -6.0563 -3.4804 -3.4804 -2.9934 -2.9934 -1.2613 -1.2613 -0.6592 -0.6592 5.9740 5.9740 5.9969 5.9969 7.2894 7.2894 8.1600 8.1600 8.3946 8.3946 8.5160 8.5160 11.0910 11.0910 13.6420 13.6420 13.7997 13.7997 13.8214 13.8214 14.2502 14.2502 14.4682 14.4682 16.4845 16.4845 k =-0.1607 0.1602 0.5032 ( 5134 PWs) bands (ev): -44.2113 -44.2113 -23.4921 -23.4921 -20.6218 -20.6218 -20.2205 -20.2205 -13.3623 -13.3623 -7.8102 -7.8102 -6.0524 -6.0524 -3.5072 -3.5072 -3.0127 -3.0127 -1.2732 -1.2732 -0.6783 -0.6783 6.0145 6.0145 6.0429 6.0429 7.3380 7.3380 8.1030 8.1030 8.4212 8.4212 8.4746 8.4746 11.0529 11.0529 13.6443 13.6443 13.7848 13.7848 13.8089 13.8089 14.1948 14.1948 14.4744 14.4744 16.5303 16.5303 k =-0.1696 0.1691 0.5032 ( 5132 PWs) bands (ev): -44.2113 -44.2113 -23.4917 -23.4917 -20.6236 -20.6236 -20.2226 -20.2226 -13.3598 -13.3598 -7.7763 -7.7763 -6.0483 -6.0483 -3.5362 -3.5362 -3.0315 -3.0315 -1.2856 -1.2856 -0.6980 -0.6980 6.0560 6.0560 6.0907 6.0907 7.3880 7.3880 8.0456 8.0456 8.4329 8.4330 8.4487 8.4487 11.0130 11.0130 13.6473 13.6473 13.7510 13.7510 13.8045 13.8045 14.1364 14.1364 14.4908 14.4908 16.5753 16.5753 k =-0.1786 0.1780 0.5032 ( 5132 PWs) bands (ev): -44.2112 -44.2112 -23.4913 -23.4913 -20.6255 -20.6255 -20.2247 -20.2247 -13.3573 -13.3573 -7.7410 -7.7410 -6.0441 -6.0441 -3.5674 -3.5674 -3.0499 -3.0499 -1.2981 -1.2981 -0.7180 -0.7180 6.0984 6.0984 6.1401 6.1401 7.4392 7.4392 7.9883 7.9883 8.3921 8.3921 8.4764 8.4764 10.9712 10.9712 13.6511 13.6511 13.7045 13.7045 13.8032 13.8032 14.0749 14.0749 14.5163 14.5163 16.6190 16.6190 k =-0.1875 0.1869 0.5032 ( 5128 PWs) bands (ev): -44.2111 -44.2111 -23.4909 -23.4909 -20.6275 -20.6275 -20.2268 -20.2268 -13.3546 -13.3546 -7.7041 -7.7041 -6.0398 -6.0398 -3.6007 -3.6007 -3.0676 -3.0676 -1.3109 -1.3109 -0.7383 -0.7383 6.1413 6.1413 6.1906 6.1906 7.4914 7.4914 7.9315 7.9315 8.3520 8.3520 8.5046 8.5046 10.9278 10.9278 13.6475 13.6475 13.6567 13.6567 13.8032 13.8032 14.0105 14.0105 14.5494 14.5494 16.6606 16.6606 k =-0.1964 0.1958 0.5032 ( 5128 PWs) bands (ev): -44.2111 -44.2111 -23.4905 -23.4905 -20.6295 -20.6295 -20.2290 -20.2290 -13.3520 -13.3520 -7.6660 -7.6660 -6.0353 -6.0353 -3.6360 -3.6360 -3.0847 -3.0847 -1.3239 -1.3239 -0.7589 -0.7589 6.1842 6.1842 6.2421 6.2421 7.5446 7.5446 7.8759 7.8759 8.3132 8.3132 8.5332 8.5332 10.8828 10.8828 13.5841 13.5841 13.6618 13.6618 13.8045 13.8045 13.9432 13.9432 14.5887 14.5887 16.6980 16.6980 k =-0.2054 0.2047 0.5032 ( 5124 PWs) bands (ev): -44.2110 -44.2110 -23.4901 -23.4901 -20.6315 -20.6315 -20.2313 -20.2313 -13.3492 -13.3492 -7.6265 -7.6265 -6.0307 -6.0307 -3.6731 -3.6731 -3.1012 -3.1012 -1.3370 -1.3370 -0.7796 -0.7796 6.2268 6.2268 6.2942 6.2942 7.5984 7.5984 7.8222 7.8222 8.2761 8.2761 8.5620 8.5620 10.8363 10.8363 13.5136 13.5136 13.6685 13.6685 13.8068 13.8068 13.8730 13.8730 14.6328 14.6328 16.7041 16.7041 k =-0.2143 0.2136 0.5032 ( 5116 PWs) bands (ev): -44.2109 -44.2109 -23.4897 -23.4897 -20.6336 -20.6336 -20.2335 -20.2335 -13.3465 -13.3465 -7.5857 -7.5857 -6.0260 -6.0260 -3.7121 -3.7121 -3.1170 -3.1170 -1.3502 -1.3502 -0.8004 -0.8004 6.2684 6.2684 6.3464 6.3464 7.6526 7.6526 7.7711 7.7711 8.2413 8.2413 8.5908 8.5908 10.7884 10.7884 13.4376 13.4376 13.6763 13.6763 13.8000 13.8000 13.8102 13.8102 14.6807 14.6807 16.6505 16.6505 k =-0.2232 0.2225 0.5032 ( 5116 PWs) bands (ev): -44.2108 -44.2108 -23.4892 -23.4892 -20.6356 -20.6356 -20.2358 -20.2358 -13.3436 -13.3436 -7.5438 -7.5438 -6.0212 -6.0212 -3.7527 -3.7527 -3.1322 -3.1322 -1.3634 -1.3634 -0.8212 -0.8212 6.3083 6.3083 6.3982 6.3982 7.7071 7.7071 7.7236 7.7236 8.2093 8.2093 8.6196 8.6196 10.7394 10.7394 13.3571 13.3571 13.6851 13.6851 13.7244 13.7244 13.8147 13.8147 14.7315 14.7315 16.5919 16.5919 k =-0.2321 0.2314 0.5032 ( 5116 PWs) bands (ev): -44.2107 -44.2107 -23.4888 -23.4888 -20.6377 -20.6377 -20.2381 -20.2381 -13.3408 -13.3408 -7.5007 -7.5007 -6.0164 -6.0164 -3.7948 -3.7948 -3.1469 -3.1469 -1.3767 -1.3767 -0.8420 -0.8420 6.3457 6.3457 6.4492 6.4492 7.6804 7.6804 7.7619 7.7619 8.1809 8.1809 8.6483 8.6483 10.6892 10.6892 13.2725 13.2725 13.6461 13.6461 13.6949 13.6949 13.8203 13.8203 14.7845 14.7845 16.5341 16.5341 k =-0.2411 0.2403 0.5032 ( 5116 PWs) bands (ev): -44.2107 -44.2107 -23.4884 -23.4884 -20.6398 -20.6398 -20.2405 -20.2405 -13.3379 -13.3379 -7.4566 -7.4566 -6.0114 -6.0114 -3.8382 -3.8382 -3.1609 -3.1609 -1.3899 -1.3899 -0.8627 -0.8627 6.3795 6.3795 6.4987 6.4987 7.6430 7.6430 7.8166 7.8166 8.1566 8.1566 8.6768 8.6768 10.6382 10.6382 13.1845 13.1845 13.5653 13.5653 13.7058 13.7058 13.8271 13.8271 14.8392 14.8392 16.4780 16.4780 k =-0.2500 0.2493 0.5032 ( 5112 PWs) bands (ev): -44.2106 -44.2106 -23.4880 -23.4880 -20.6419 -20.6419 -20.2428 -20.2428 -13.3351 -13.3351 -7.4115 -7.4115 -6.0065 -6.0065 -3.8829 -3.8829 -3.1745 -3.1745 -1.4030 -1.4030 -0.8832 -0.8832 6.4087 6.4087 6.5460 6.5460 7.6125 7.6125 7.8710 7.8710 8.1373 8.1373 8.7049 8.7049 10.5865 10.5865 13.0936 13.0936 13.4820 13.4820 13.7177 13.7177 13.8350 13.8350 14.8951 14.8951 16.4242 16.4242 k =-0.2589 0.2582 0.5032 ( 5112 PWs) bands (ev): -44.2105 -44.2105 -23.4875 -23.4875 -20.6440 -20.6440 -20.2451 -20.2451 -13.3322 -13.3322 -7.3655 -7.3655 -6.0015 -6.0015 -3.9285 -3.9285 -3.1875 -3.1875 -1.4160 -1.4160 -0.9034 -0.9034 6.4321 6.4321 6.5904 6.5904 7.5902 7.5902 7.9251 7.9251 8.1238 8.1238 8.7325 8.7325 10.5342 10.5342 12.9999 12.9999 13.3964 13.3964 13.7306 13.7306 13.8440 13.8440 14.9519 14.9519 16.3726 16.3726 k =-0.2679 0.2671 0.5032 ( 5116 PWs) bands (ev): -44.2104 -44.2104 -23.4871 -23.4871 -20.6461 -20.6461 -20.2474 -20.2474 -13.3294 -13.3294 -7.3188 -7.3188 -5.9965 -5.9965 -3.9751 -3.9751 -3.2001 -3.2001 -1.4288 -1.4288 -0.9234 -0.9234 6.4488 6.4488 6.6312 6.6312 7.5771 7.5771 7.9786 7.9786 8.1168 8.1168 8.7597 8.7597 10.4814 10.4814 12.9040 12.9040 13.3085 13.3085 13.7445 13.7445 13.8541 13.8541 15.0091 15.0091 16.3236 16.3236 k =-0.2768 0.2760 0.5032 ( 5106 PWs) bands (ev): -44.2103 -44.2103 -23.4867 -23.4867 -20.6482 -20.6482 -20.2497 -20.2497 -13.3265 -13.3265 -7.2712 -7.2712 -5.9914 -5.9914 -4.0224 -4.0224 -3.2122 -3.2122 -1.4415 -1.4415 -0.9430 -0.9430 6.4579 6.4579 6.6676 6.6676 7.5743 7.5743 8.0314 8.0314 8.1171 8.1171 8.7862 8.7862 10.4285 10.4285 12.8060 12.8060 13.2184 13.2184 13.7593 13.7593 13.8652 13.8652 15.0665 15.0665 16.2770 16.2770 k =-0.2857 0.2849 0.5032 ( 5102 PWs) bands (ev): -44.2103 -44.2103 -23.4862 -23.4862 -20.6503 -20.6503 -20.2519 -20.2519 -13.3237 -13.3237 -7.2231 -7.2231 -5.9865 -5.9865 -4.0703 -4.0703 -3.2238 -3.2238 -1.4540 -1.4540 -0.9622 -0.9622 6.4591 6.4591 6.6989 6.6989 7.5822 7.5822 8.0832 8.0832 8.1256 8.1256 8.8121 8.8121 10.3755 10.3755 12.7062 12.7062 13.1263 13.1263 13.7749 13.7749 13.8773 13.8773 15.1237 15.1237 16.2330 16.2330 k =-0.2946 0.2938 0.5032 ( 5106 PWs) bands (ev): -44.2102 -44.2102 -23.4858 -23.4858 -20.6523 -20.6523 -20.2541 -20.2541 -13.3209 -13.3209 -7.1744 -7.1744 -5.9815 -5.9815 -4.1188 -4.1188 -3.2351 -3.2351 -1.4662 -1.4662 -0.9809 -0.9809 6.4525 6.4525 6.7249 6.7249 7.6006 7.6006 8.1329 8.1329 8.1437 8.1437 8.8372 8.8373 10.3226 10.3226 12.6049 12.6049 13.0323 13.0323 13.7913 13.7913 13.8903 13.8903 15.1806 15.1806 16.1914 16.1914 k =-0.3036 0.3027 0.5032 ( 5110 PWs) bands (ev): -44.2101 -44.2101 -23.4854 -23.4854 -20.6543 -20.6543 -20.2563 -20.2563 -13.3182 -13.3182 -7.1252 -7.1252 -5.9766 -5.9766 -4.1675 -4.1675 -3.2460 -3.2460 -1.4781 -1.4781 -0.9992 -0.9992 6.4389 6.4389 6.7451 6.7451 7.6291 7.6291 8.1664 8.1664 8.1856 8.1856 8.8616 8.8616 10.2701 10.2701 12.5023 12.5023 12.9364 12.9364 13.8084 13.8084 13.9042 13.9042 15.2369 15.2369 16.1523 16.1523 k =-0.3125 0.3116 0.5032 ( 5106 PWs) bands (ev): -44.2100 -44.2100 -23.4850 -23.4850 -20.6562 -20.6562 -20.2584 -20.2584 -13.3155 -13.3155 -7.0758 -7.0758 -5.9718 -5.9718 -4.2165 -4.2165 -3.2564 -3.2564 -1.4897 -1.4897 -1.0169 -1.0169 6.4191 6.4191 6.7597 6.7597 7.6666 7.6666 8.2008 8.2008 8.2341 8.2341 8.8850 8.8850 10.2180 10.2180 12.3987 12.3987 12.8388 12.8388 13.8261 13.8261 13.9188 13.9188 15.2924 15.2924 16.1156 16.1156 k =-0.3214 0.3205 0.5032 ( 5110 PWs) bands (ev): -44.2099 -44.2099 -23.4846 -23.4846 -20.6581 -20.6581 -20.2605 -20.2605 -13.3129 -13.3129 -7.0261 -7.0261 -5.9670 -5.9670 -4.2656 -4.2656 -3.2665 -3.2665 -1.5010 -1.5010 -1.0340 -1.0340 6.3943 6.3943 6.7688 6.7688 7.7122 7.7122 8.2433 8.2433 8.2816 8.2816 8.9075 8.9076 10.1665 10.1665 12.2943 12.2943 12.7398 12.7398 13.8442 13.8442 13.9340 13.9340 15.3468 15.3468 16.0812 16.0812 k =-0.3304 0.3294 0.5032 ( 5110 PWs) bands (ev): -44.2099 -44.2099 -23.4842 -23.4842 -20.6599 -20.6599 -20.2625 -20.2625 -13.3103 -13.3103 -6.9763 -6.9763 -5.9623 -5.9623 -4.3147 -4.3147 -3.2762 -3.2762 -1.5119 -1.5119 -1.0505 -1.0505 6.3657 6.3657 6.7729 6.7729 7.7646 7.7646 8.2936 8.2936 8.3278 8.3278 8.9291 8.9291 10.1159 10.1159 12.1892 12.1892 12.6393 12.6393 13.8628 13.8628 13.9498 13.9498 15.4001 15.4001 16.0491 16.0491 k =-0.3393 0.3383 0.5032 ( 5106 PWs) bands (ev): -44.2098 -44.2098 -23.4839 -23.4839 -20.6617 -20.6617 -20.2644 -20.2644 -13.3078 -13.3078 -6.9265 -6.9265 -5.9578 -5.9578 -4.3636 -4.3636 -3.2854 -3.2854 -1.5225 -1.5225 -1.0663 -1.0663 6.3344 6.3344 6.7727 6.7727 7.8228 7.8228 8.3509 8.3509 8.3728 8.3728 8.9497 8.9497 10.0663 10.0663 12.0839 12.0839 12.5377 12.5377 13.8815 13.8815 13.9660 13.9660 15.4519 15.4519 16.0192 16.0192 k =-0.3482 0.3472 0.5032 ( 5110 PWs) bands (ev): -44.2097 -44.2097 -23.4835 -23.4835 -20.6634 -20.6634 -20.2663 -20.2663 -13.3055 -13.3055 -6.8770 -6.8770 -5.9534 -5.9534 -4.4122 -4.4122 -3.2943 -3.2943 -1.5326 -1.5326 -1.0815 -1.0815 6.3013 6.3013 6.7688 6.7688 7.8857 7.8857 8.4117 8.4117 8.4191 8.4191 8.9692 8.9692 10.0178 10.0178 11.9784 11.9784 12.4351 12.4351 13.9004 13.9004 13.9824 13.9824 15.5022 15.5022 15.9915 15.9915 k =-0.3571 0.3561 0.5032 ( 5114 PWs) bands (ev): -44.2097 -44.2097 -23.4831 -23.4831 -20.6651 -20.6651 -20.2681 -20.2681 -13.3032 -13.3032 -6.8277 -6.8277 -5.9492 -5.9492 -4.4604 -4.4604 -3.3027 -3.3027 -1.5423 -1.5423 -1.0959 -1.0959 6.2673 6.2673 6.7619 6.7619 7.9525 7.9525 8.4565 8.4565 8.4856 8.4856 8.9877 8.9877 9.9706 9.9706 11.8732 11.8732 12.3316 12.3316 13.9193 13.9193 13.9990 13.9990 15.5507 15.5507 15.9658 15.9658 k =-0.3661 0.3650 0.5032 ( 5110 PWs) bands (ev): -44.2096 -44.2096 -23.4828 -23.4828 -20.6666 -20.6666 -20.2698 -20.2698 -13.3010 -13.3010 -6.7790 -6.7790 -5.9451 -5.9451 -4.5079 -4.5079 -3.3107 -3.3107 -1.5515 -1.5515 -1.1096 -1.1096 6.2331 6.2331 6.7526 6.7526 8.0223 8.0223 8.4966 8.4967 8.5599 8.5599 9.0050 9.0050 9.9249 9.9249 11.7685 11.7685 12.2276 12.2276 13.9380 13.9380 14.0156 14.0156 15.5973 15.5973 15.9420 15.9420 k =-0.3750 0.3739 0.5032 ( 5106 PWs) bands (ev): -44.2096 -44.2096 -23.4825 -23.4825 -20.6681 -20.6681 -20.2715 -20.2715 -13.2989 -13.2989 -6.7310 -6.7310 -5.9412 -5.9412 -4.5547 -4.5547 -3.3183 -3.3183 -1.5602 -1.5602 -1.1225 -1.1225 6.1992 6.1992 6.7417 6.7417 8.0945 8.0945 8.5349 8.5349 8.6383 8.6383 9.0213 9.0213 9.8808 9.8808 11.6647 11.6647 12.1234 12.1234 13.9563 13.9563 14.0320 14.0320 15.6419 15.6419 15.9202 15.9202 k =-0.3839 0.3828 0.5032 ( 5100 PWs) bands (ev): -44.2095 -44.2095 -23.4822 -23.4822 -20.6695 -20.6695 -20.2730 -20.2730 -13.2969 -13.2969 -6.6839 -6.6839 -5.9375 -5.9375 -4.6005 -4.6005 -3.3254 -3.3254 -1.5685 -1.5685 -1.1346 -1.1346 6.1662 6.1662 6.7297 6.7297 8.1684 8.1684 8.5714 8.5714 8.7201 8.7201 9.0364 9.0364 9.8385 9.8385 11.5620 11.5620 12.0191 12.0191 13.9742 13.9742 14.0481 14.0481 15.6842 15.6842 15.9002 15.9002 k =-0.3929 0.3917 0.5032 ( 5106 PWs) bands (ev): -44.2094 -44.2094 -23.4819 -23.4819 -20.6708 -20.6708 -20.2744 -20.2744 -13.2951 -13.2951 -6.6380 -6.6380 -5.9340 -5.9340 -4.6451 -4.6451 -3.3321 -3.3321 -1.5762 -1.5762 -1.1459 -1.1459 6.1344 6.1344 6.7170 6.7170 8.2432 8.2432 8.6060 8.6060 8.8043 8.8043 9.0503 9.0503 9.7981 9.7981 11.4610 11.4610 11.9152 11.9152 13.9915 13.9915 14.0638 14.0638 15.7241 15.7241 15.8821 15.8821 k =-0.4018 0.4006 0.5032 ( 5110 PWs) bands (ev): -44.2094 -44.2094 -23.4817 -23.4817 -20.6721 -20.6721 -20.2758 -20.2758 -13.2933 -13.2933 -6.5935 -6.5935 -5.9307 -5.9307 -4.6882 -4.6882 -3.3382 -3.3382 -1.5834 -1.5834 -1.1564 -1.1564 6.1042 6.1042 6.7041 6.7041 8.3184 8.3184 8.6386 8.6386 8.8903 8.8903 9.0631 9.0631 9.7598 9.7598 11.3622 11.3622 11.8121 11.8121 14.0081 14.0081 14.0788 14.0788 15.7613 15.7613 15.8658 15.8658 k =-0.4107 0.4095 0.5032 ( 5122 PWs) bands (ev): -44.2094 -44.2094 -23.4814 -23.4814 -20.6732 -20.6732 -20.2770 -20.2770 -13.2917 -13.2917 -6.5507 -6.5507 -5.9277 -5.9277 -4.7297 -4.7297 -3.3439 -3.3439 -1.5900 -1.5900 -1.1660 -1.1660 6.0759 6.0759 6.6913 6.6913 8.3932 8.3932 8.6693 8.6693 8.9770 8.9770 9.0748 9.0748 9.7237 9.7237 11.2660 11.2660 11.7104 11.7104 14.0237 14.0237 14.0931 14.0931 15.7955 15.7955 15.8516 15.8516 k =-0.4196 0.4184 0.5032 ( 5132 PWs) bands (ev): -44.2093 -44.2093 -23.4812 -23.4812 -20.6742 -20.6742 -20.2781 -20.2781 -13.2903 -13.2903 -6.5100 -6.5100 -5.9249 -5.9249 -4.7691 -4.7691 -3.3491 -3.3491 -1.5960 -1.5960 -1.1747 -1.1747 6.0496 6.0496 6.6789 6.6790 8.4668 8.4668 8.6978 8.6978 9.0629 9.0629 9.0862 9.0862 9.6901 9.6901 11.1733 11.1733 11.6106 11.6106 14.0384 14.0384 14.1066 14.1066 15.8232 15.8232 15.8426 15.8426 k =-0.4286 0.4273 0.5032 ( 5130 PWs) bands (ev): -44.2093 -44.2093 -23.4810 -23.4810 -20.6752 -20.6752 -20.2792 -20.2792 -13.2890 -13.2890 -6.4717 -6.4717 -5.9224 -5.9224 -4.8061 -4.8061 -3.3538 -3.3538 -1.6015 -1.6015 -1.1826 -1.1826 6.0257 6.0257 6.6673 6.6673 8.5383 8.5383 8.7242 8.7242 9.0936 9.0936 9.1505 9.1505 9.6591 9.6591 11.0848 11.0848 11.5137 11.5137 14.0518 14.0518 14.1190 14.1190 15.8228 15.8228 15.8603 15.8603 k =-0.4375 0.4362 0.5032 ( 5120 PWs) bands (ev): -44.2092 -44.2092 -23.4808 -23.4808 -20.6760 -20.6760 -20.2801 -20.2801 -13.2878 -13.2878 -6.4363 -6.4363 -5.9201 -5.9201 -4.8403 -4.8403 -3.3580 -3.3580 -1.6063 -1.6063 -1.1895 -1.1895 6.0042 6.0042 6.6566 6.6566 8.6067 8.6067 8.7482 8.7482 9.1019 9.1019 9.2339 9.2339 9.6310 9.6310 11.0016 11.0016 11.4205 11.4205 14.0640 14.0640 14.1302 14.1302 15.8136 15.8136 15.8853 15.8853 k =-0.4464 0.4451 0.5032 ( 5108 PWs) bands (ev): -44.2092 -44.2092 -23.4807 -23.4807 -20.6767 -20.6767 -20.2809 -20.2809 -13.2868 -13.2868 -6.4042 -6.4042 -5.9181 -5.9181 -4.8713 -4.8713 -3.3616 -3.3616 -1.6105 -1.6105 -1.1955 -1.1955 5.9854 5.9854 6.6470 6.6470 8.6708 8.6708 8.7696 8.7696 9.1088 9.1089 9.3138 9.3138 9.6059 9.6060 10.9247 10.9247 11.3326 11.3326 14.0748 14.0748 14.1403 14.1403 15.8051 15.8051 15.9078 15.9078 k =-0.4554 0.4540 0.5032 ( 5096 PWs) bands (ev): -44.2092 -44.2092 -23.4806 -23.4806 -20.6773 -20.6773 -20.2815 -20.2815 -13.2859 -13.2859 -6.3759 -6.3759 -5.9165 -5.9165 -4.8987 -4.8987 -3.3647 -3.3647 -1.6141 -1.6141 -1.2007 -1.2007 5.9692 5.9692 6.6387 6.6387 8.7291 8.7291 8.7884 8.7884 9.1146 9.1146 9.3882 9.3882 9.5842 9.5842 10.8555 10.8555 11.2515 11.2515 14.0841 14.0841 14.1489 14.1489 15.7978 15.7978 15.9273 15.9273 k =-0.4643 0.4629 0.5032 ( 5088 PWs) bands (ev): -44.2092 -44.2092 -23.4805 -23.4805 -20.6778 -20.6778 -20.2821 -20.2821 -13.2852 -13.2852 -6.3519 -6.3519 -5.9151 -5.9151 -4.9220 -4.9220 -3.3672 -3.3672 -1.6171 -1.6171 -1.2049 -1.2049 5.9559 5.9559 6.6317 6.6317 8.7802 8.7802 8.8043 8.8043 9.1191 9.1191 9.4549 9.4549 9.5661 9.5661 10.7955 10.7955 11.1793 11.1793 14.0919 14.0919 14.1561 14.1561 15.7919 15.7919 15.9434 15.9434 k =-0.4732 0.4718 0.5032 ( 5084 PWs) bands (ev): -44.2092 -44.2092 -23.4804 -23.4804 -20.6782 -20.6782 -20.2825 -20.2825 -13.2846 -13.2846 -6.3326 -6.3326 -5.9140 -5.9140 -4.9406 -4.9406 -3.3692 -3.3692 -1.6194 -1.6194 -1.2082 -1.2082 5.9455 5.9455 6.6262 6.6262 8.8163 8.8163 8.8229 8.8229 9.1226 9.1226 9.5108 9.5108 9.5524 9.5524 10.7465 10.7465 11.1186 11.1186 14.0980 14.0980 14.1618 14.1618 15.7873 15.7873 15.9561 15.9561 k =-0.4821 0.4807 0.5032 ( 5072 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6785 -20.6785 -20.2828 -20.2828 -13.2842 -13.2842 -6.3185 -6.3185 -5.9132 -5.9132 -4.9543 -4.9543 -3.3707 -3.3707 -1.6210 -1.6210 -1.2105 -1.2105 5.9380 5.9380 6.6222 6.6222 8.8259 8.8259 8.8542 8.8542 9.1250 9.1250 9.5379 9.5379 9.5583 9.5583 10.7099 10.7099 11.0723 11.0723 14.1024 14.1024 14.1659 14.1659 15.7840 15.7840 15.9652 15.9652 k =-0.4911 0.4896 0.5032 ( 5082 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6787 -20.6787 -20.2830 -20.2830 -13.2840 -13.2840 -6.3099 -6.3099 -5.9127 -5.9127 -4.9626 -4.9626 -3.3715 -3.3715 -1.6220 -1.6220 -1.2119 -1.2119 5.9335 5.9335 6.6198 6.6198 8.8315 8.8315 8.8738 8.8738 9.1265 9.1265 9.5333 9.5333 9.5840 9.5840 10.6873 10.6873 11.0431 11.0431 14.1050 14.1050 14.1684 14.1684 15.7820 15.7820 15.9706 15.9706 k =-0.5000 0.4985 0.5032 ( 5088 PWs) bands (ev): -44.2091 -44.2091 -23.4803 -23.4803 -20.6787 -20.6787 -20.2831 -20.2831 -13.2839 -13.2839 -6.3070 -6.3070 -5.9126 -5.9126 -4.9654 -4.9654 -3.3718 -3.3718 -1.6223 -1.6223 -1.2124 -1.2124 5.9319 5.9319 6.6189 6.6189 8.8334 8.8334 8.8805 8.8805 9.1270 9.1270 9.5313 9.5313 9.5932 9.5932 10.6797 10.6797 11.0331 11.0331 14.1059 14.1059 14.1692 14.1692 15.7813 15.7813 15.9725 15.9725 Writing output data file BaTiO3.save init_run : 0.37s CPU 1.30s WALL ( 1 calls) electrons : 1318.28s CPU 1388.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.56s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 1318.27s CPU 1388.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.05s WALL ( 478 calls) cegterg : 869.16s CPU 917.09s WALL ( 1274 calls) Called by sum_band: Called by *egterg: h_psi : 605.94s CPU 650.74s WALL ( 22876 calls) s_psi : 10.64s CPU 11.17s WALL ( 22876 calls) g_psi : 0.53s CPU 0.65s WALL ( 21124 calls) cdiaghg : 183.26s CPU 180.71s WALL ( 21602 calls) cegterg:over : 41.95s CPU 44.84s WALL ( 21124 calls) cegterg:upda : 5.59s CPU 10.33s WALL ( 21124 calls) cegterg:last : 6.43s CPU 8.24s WALL ( 4325 calls) Called by h_psi: h_psi:vloc : 578.05s CPU 612.90s WALL ( 22876 calls) h_psi:vnl : 27.80s CPU 37.45s WALL ( 22876 calls) add_vuspsi : 12.87s CPU 15.10s WALL ( 22876 calls) General routines calbec : 14.91s CPU 22.30s WALL ( 22876 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 577.13s CPU 605.78s WALL ( 2389384 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.05s CPU 12.32s WALL ( 956 calls) Parallel routines fft_scatter : 561.13s CPU 498.86s WALL ( 2389407 calls) PWSCF : 24m49.60s CPU 31m43.18s WALL This run was terminated on: 11:53: 3 25Nov2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=