Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:16:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaLi2N.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 38 10 1428 1428 214 Max 39 39 11 1435 1435 221 Sum 1381 1381 389 51469 51469 7851 bravais-lattice index = 14 lattice parameter (alat) = 6.9554 a.u. unit-cell volume = 365.3336 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.955400 celldm(2)= 1.000000 celldm(3)= 1.249783 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.495272 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.495272 0.868738 0.000000 ) a(3) = ( 0.000000 0.000000 1.249783 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.570105 -0.000000 ) b(2) = ( 0.000000 1.151095 -0.000000 ) b(3) = ( 0.000000 0.000000 0.800139 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with 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 = 2 180 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 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 482 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 2) = ( 0.0058664 0.0100973 -0.0000000), wk = 0.0020747 k( 3) = ( 0.0117329 0.0201947 -0.0000000), wk = 0.0020747 k( 4) = ( 0.0175993 0.0302920 -0.0000000), wk = 0.0020747 k( 5) = ( 0.0234658 0.0403893 -0.0000000), wk = 0.0020747 k( 6) = ( 0.0293322 0.0504866 -0.0000000), wk = 0.0020747 k( 7) = ( 0.0351987 0.0605840 -0.0000000), wk = 0.0020747 k( 8) = ( 0.0410651 0.0706813 -0.0000000), wk = 0.0020747 k( 9) = ( 0.0469316 0.0807786 -0.0000000), wk = 0.0020747 k( 10) = ( 0.0527980 0.0908759 -0.0000000), wk = 0.0020747 k( 11) = ( 0.0586644 0.1009733 -0.0000000), wk = 0.0020747 k( 12) = ( 0.0645309 0.1110706 -0.0000000), wk = 0.0020747 k( 13) = ( 0.0703973 0.1211679 -0.0000000), wk = 0.0020747 k( 14) = ( 0.0762638 0.1312653 -0.0000000), wk = 0.0020747 k( 15) = ( 0.0821302 0.1413626 -0.0000000), wk = 0.0020747 k( 16) = ( 0.0879966 0.1514599 -0.0000000), wk = 0.0020747 k( 17) = ( 0.0938631 0.1615572 -0.0000000), wk = 0.0020747 k( 18) = ( 0.0997295 0.1716545 -0.0000000), wk = 0.0020747 k( 19) = ( 0.1055960 0.1817519 -0.0000000), wk = 0.0020747 k( 20) = ( 0.1114624 0.1918492 -0.0000000), wk = 0.0020747 k( 21) = ( 0.1173289 0.2019465 -0.0000000), wk = 0.0020747 k( 22) = ( 0.1231953 0.2120438 -0.0000000), wk = 0.0020747 k( 23) = ( 0.1290618 0.2221412 -0.0000000), wk = 0.0020747 k( 24) = ( 0.1349282 0.2322385 -0.0000000), wk = 0.0020747 k( 25) = ( 0.1407946 0.2423358 -0.0000000), wk = 0.0020747 k( 26) = ( 0.1466611 0.2524332 -0.0000000), wk = 0.0020747 k( 27) = ( 0.1525275 0.2625305 -0.0000000), wk = 0.0020747 k( 28) = ( 0.1583940 0.2726278 -0.0000000), wk = 0.0020747 k( 29) = ( 0.1642604 0.2827251 -0.0000000), wk = 0.0020747 k( 30) = ( 0.1701269 0.2928225 -0.0000000), wk = 0.0020747 k( 31) = ( 0.1759933 0.3029198 -0.0000000), wk = 0.0020747 k( 32) = ( 0.1818597 0.3130171 -0.0000000), wk = 0.0020747 k( 33) = ( 0.1877262 0.3231144 -0.0000000), wk = 0.0020747 k( 34) = ( 0.1935926 0.3332118 -0.0000000), wk = 0.0020747 k( 35) = ( 0.1994591 0.3433091 -0.0000000), wk = 0.0020747 k( 36) = ( 0.2053255 0.3534064 -0.0000000), wk = 0.0020747 k( 37) = ( 0.2111920 0.3635038 -0.0000000), wk = 0.0020747 k( 38) = ( 0.2170584 0.3736011 -0.0000000), wk = 0.0020747 k( 39) = ( 0.2229249 0.3836984 -0.0000000), wk = 0.0020747 k( 40) = ( 0.2287913 0.3937957 -0.0000000), wk = 0.0020747 k( 41) = ( 0.2346577 0.4038931 -0.0000000), wk = 0.0020747 k( 42) = ( 0.2405242 0.4139904 -0.0000000), wk = 0.0020747 k( 43) = ( 0.2463906 0.4240877 -0.0000000), wk = 0.0020747 k( 44) = ( 0.2522571 0.4341850 -0.0000000), wk = 0.0020747 k( 45) = ( 0.2581235 0.4442824 -0.0000000), wk = 0.0020747 k( 46) = ( 0.2639900 0.4543797 -0.0000000), wk = 0.0020747 k( 47) = ( 0.2698564 0.4644770 -0.0000000), wk = 0.0020747 k( 48) = ( 0.2757229 0.4745743 -0.0000000), wk = 0.0020747 k( 49) = ( 0.2815893 0.4846717 -0.0000000), wk = 0.0020747 k( 50) = ( 0.2874557 0.4947690 -0.0000000), wk = 0.0020747 k( 51) = ( 0.2933222 0.5048663 -0.0000000), wk = 0.0020747 k( 52) = ( 0.2991886 0.5149636 -0.0000000), wk = 0.0020747 k( 53) = ( 0.3050551 0.5250610 -0.0000000), wk = 0.0020747 k( 54) = ( 0.3109215 0.5351583 -0.0000000), wk = 0.0020747 k( 55) = ( 0.3167879 0.5452556 -0.0000000), wk = 0.0020747 k( 56) = ( 0.3226544 0.5553530 -0.0000000), wk = 0.0020747 k( 57) = ( 0.3285208 0.5654503 -0.0000000), wk = 0.0020747 k( 58) = ( 0.3343873 0.5755476 -0.0000000), wk = 0.0020747 k( 59) = ( 0.3343873 0.5755476 -0.0000000), wk = 0.0020747 k( 60) = ( 0.3228567 0.5755476 -0.0000000), wk = 0.0020747 k( 61) = ( 0.3113261 0.5755476 -0.0000000), wk = 0.0020747 k( 62) = ( 0.2997955 0.5755476 -0.0000000), wk = 0.0020747 k( 63) = ( 0.2882649 0.5755476 -0.0000000), wk = 0.0020747 k( 64) = ( 0.2767343 0.5755476 -0.0000000), wk = 0.0020747 k( 65) = ( 0.2652037 0.5755476 -0.0000000), wk = 0.0020747 k( 66) = ( 0.2536731 0.5755476 -0.0000000), wk = 0.0020747 k( 67) = ( 0.2421425 0.5755476 -0.0000000), wk = 0.0020747 k( 68) = ( 0.2306119 0.5755476 -0.0000000), wk = 0.0020747 k( 69) = ( 0.2190813 0.5755476 -0.0000000), wk = 0.0020747 k( 70) = ( 0.2075507 0.5755476 -0.0000000), wk = 0.0020747 k( 71) = ( 0.1960201 0.5755476 -0.0000000), wk = 0.0020747 k( 72) = ( 0.1844895 0.5755476 -0.0000000), wk = 0.0020747 k( 73) = ( 0.1729589 0.5755476 -0.0000000), wk = 0.0020747 k( 74) = ( 0.1614283 0.5755476 -0.0000000), wk = 0.0020747 k( 75) = ( 0.1498977 0.5755476 -0.0000000), wk = 0.0020747 k( 76) = ( 0.1383671 0.5755476 -0.0000000), wk = 0.0020747 k( 77) = ( 0.1268366 0.5755476 -0.0000000), wk = 0.0020747 k( 78) = ( 0.1153060 0.5755476 -0.0000000), wk = 0.0020747 k( 79) = ( 0.1037754 0.5755476 -0.0000000), wk = 0.0020747 k( 80) = ( 0.0922448 0.5755476 -0.0000000), wk = 0.0020747 k( 81) = ( 0.0807142 0.5755476 -0.0000000), wk = 0.0020747 k( 82) = ( 0.0691836 0.5755476 -0.0000000), wk = 0.0020747 k( 83) = ( 0.0576530 0.5755476 -0.0000000), wk = 0.0020747 k( 84) = ( 0.0461224 0.5755476 -0.0000000), wk = 0.0020747 k( 85) = ( 0.0345918 0.5755476 -0.0000000), wk = 0.0020747 k( 86) = ( 0.0230612 0.5755476 -0.0000000), wk = 0.0020747 k( 87) = ( 0.0115306 0.5755476 -0.0000000), wk = 0.0020747 k( 88) = ( 0.0000000 0.5755476 -0.0000000), wk = 0.0020747 k( 89) = ( 0.0000000 0.5755476 -0.0000000), wk = 0.0020747 k( 90) = ( 0.0000000 0.5755476 0.0114306), wk = 0.0020747 k( 91) = ( 0.0000000 0.5755476 0.0228611), wk = 0.0020747 k( 92) = ( 0.0000000 0.5755476 0.0342917), wk = 0.0020747 k( 93) = ( 0.0000000 0.5755476 0.0457222), wk = 0.0020747 k( 94) = ( 0.0000000 0.5755476 0.0571528), wk = 0.0020747 k( 95) = ( 0.0000000 0.5755476 0.0685833), wk = 0.0020747 k( 96) = ( 0.0000000 0.5755476 0.0800139), wk = 0.0020747 k( 97) = ( 0.0000000 0.5755476 0.0914445), wk = 0.0020747 k( 98) = ( 0.0000000 0.5755476 0.1028750), wk = 0.0020747 k( 99) = ( 0.0000000 0.5755476 0.1143056), wk = 0.0020747 k( 100) = ( 0.0000000 0.5755476 0.1257361), wk = 0.0020747 k( 101) = ( 0.0000000 0.5755476 0.1371667), wk = 0.0020747 k( 102) = ( 0.0000000 0.5755476 0.1485973), wk = 0.0020747 k( 103) = ( 0.0000000 0.5755476 0.1600278), wk = 0.0020747 k( 104) = ( 0.0000000 0.5755476 0.1714584), wk = 0.0020747 k( 105) = ( 0.0000000 0.5755476 0.1828889), wk = 0.0020747 k( 106) = ( 0.0000000 0.5755476 0.1943195), wk = 0.0020747 k( 107) = ( 0.0000000 0.5755476 0.2057500), wk = 0.0020747 k( 108) = ( 0.0000000 0.5755476 0.2171806), wk = 0.0020747 k( 109) = ( 0.0000000 0.5755476 0.2286112), wk = 0.0020747 k( 110) = ( 0.0000000 0.5755476 0.2400417), wk = 0.0020747 k( 111) = ( 0.0000000 0.5755476 0.2514723), wk = 0.0020747 k( 112) = ( 0.0000000 0.5755476 0.2629028), wk = 0.0020747 k( 113) = ( 0.0000000 0.5755476 0.2743334), wk = 0.0020747 k( 114) = ( 0.0000000 0.5755476 0.2857639), wk = 0.0020747 k( 115) = ( 0.0000000 0.5755476 0.2971945), wk = 0.0020747 k( 116) = ( 0.0000000 0.5755476 0.3086251), wk = 0.0020747 k( 117) = ( 0.0000000 0.5755476 0.3200556), wk = 0.0020747 k( 118) = ( 0.0000000 0.5755476 0.3314862), wk = 0.0020747 k( 119) = ( 0.0000000 0.5755476 0.3429167), wk = 0.0020747 k( 120) = ( 0.0000000 0.5755476 0.3543473), wk = 0.0020747 k( 121) = ( 0.0000000 0.5755476 0.3657778), wk = 0.0020747 k( 122) = ( 0.0000000 0.5755476 0.3772084), wk = 0.0020747 k( 123) = ( 0.0000000 0.5755476 0.3886390), wk = 0.0020747 k( 124) = ( 0.0000000 0.5755476 0.4000695), wk = 0.0020747 k( 125) = ( 0.0000000 0.5755476 0.4000695), wk = 0.0020747 k( 126) = ( 0.0115306 0.5755476 0.4000695), wk = 0.0020747 k( 127) = ( 0.0230612 0.5755476 0.4000695), wk = 0.0020747 k( 128) = ( 0.0345918 0.5755476 0.4000695), wk = 0.0020747 k( 129) = ( 0.0461224 0.5755476 0.4000695), wk = 0.0020747 k( 130) = ( 0.0576530 0.5755476 0.4000695), wk = 0.0020747 k( 131) = ( 0.0691836 0.5755476 0.4000695), wk = 0.0020747 k( 132) = ( 0.0807142 0.5755476 0.4000695), wk = 0.0020747 k( 133) = ( 0.0922448 0.5755476 0.4000695), wk = 0.0020747 k( 134) = ( 0.1037754 0.5755476 0.4000695), wk = 0.0020747 k( 135) = ( 0.1153060 0.5755476 0.4000695), wk = 0.0020747 k( 136) = ( 0.1268366 0.5755476 0.4000695), wk = 0.0020747 k( 137) = ( 0.1383671 0.5755476 0.4000695), wk = 0.0020747 k( 138) = ( 0.1498977 0.5755476 0.4000695), wk = 0.0020747 k( 139) = ( 0.1614283 0.5755476 0.4000695), wk = 0.0020747 k( 140) = ( 0.1729589 0.5755476 0.4000695), wk = 0.0020747 k( 141) = ( 0.1844895 0.5755476 0.4000695), wk = 0.0020747 k( 142) = ( 0.1960201 0.5755476 0.4000695), wk = 0.0020747 k( 143) = ( 0.2075507 0.5755476 0.4000695), wk = 0.0020747 k( 144) = ( 0.2190813 0.5755476 0.4000695), wk = 0.0020747 k( 145) = ( 0.2306119 0.5755476 0.4000695), wk = 0.0020747 k( 146) = ( 0.2421425 0.5755476 0.4000695), wk = 0.0020747 k( 147) = ( 0.2536731 0.5755476 0.4000695), wk = 0.0020747 k( 148) = ( 0.2652037 0.5755476 0.4000695), wk = 0.0020747 k( 149) = ( 0.2767343 0.5755476 0.4000695), wk = 0.0020747 k( 150) = ( 0.2882649 0.5755476 0.4000695), wk = 0.0020747 k( 151) = ( 0.2997955 0.5755476 0.4000695), wk = 0.0020747 k( 152) = ( 0.3113261 0.5755476 0.4000695), wk = 0.0020747 k( 153) = ( 0.3228567 0.5755476 0.4000695), wk = 0.0020747 k( 154) = ( 0.3343873 0.5755476 0.4000695), wk = 0.0020747 k( 155) = ( 0.3343873 0.5755476 0.4000695), wk = 0.0020747 k( 156) = ( 0.3285208 0.5654503 0.4000695), wk = 0.0020747 k( 157) = ( 0.3226544 0.5553530 0.4000695), wk = 0.0020747 k( 158) = ( 0.3167879 0.5452556 0.4000695), wk = 0.0020747 k( 159) = ( 0.3109215 0.5351583 0.4000695), wk = 0.0020747 k( 160) = ( 0.3050551 0.5250610 0.4000695), wk = 0.0020747 k( 161) = ( 0.2991886 0.5149636 0.4000695), wk = 0.0020747 k( 162) = ( 0.2933222 0.5048663 0.4000695), wk = 0.0020747 k( 163) = ( 0.2874557 0.4947690 0.4000695), wk = 0.0020747 k( 164) = ( 0.2815893 0.4846717 0.4000695), wk = 0.0020747 k( 165) = ( 0.2757229 0.4745743 0.4000695), wk = 0.0020747 k( 166) = ( 0.2698564 0.4644770 0.4000695), wk = 0.0020747 k( 167) = ( 0.2639900 0.4543797 0.4000695), wk = 0.0020747 k( 168) = ( 0.2581235 0.4442824 0.4000695), wk = 0.0020747 k( 169) = ( 0.2522571 0.4341850 0.4000695), wk = 0.0020747 k( 170) = ( 0.2463906 0.4240877 0.4000695), wk = 0.0020747 k( 171) = ( 0.2405242 0.4139904 0.4000695), wk = 0.0020747 k( 172) = ( 0.2346577 0.4038931 0.4000695), wk = 0.0020747 k( 173) = ( 0.2287913 0.3937957 0.4000695), wk = 0.0020747 k( 174) = ( 0.2229249 0.3836984 0.4000695), wk = 0.0020747 k( 175) = ( 0.2170584 0.3736011 0.4000695), wk = 0.0020747 k( 176) = ( 0.2111920 0.3635038 0.4000695), wk = 0.0020747 k( 177) = ( 0.2053255 0.3534064 0.4000695), wk = 0.0020747 k( 178) = ( 0.1994591 0.3433091 0.4000695), wk = 0.0020747 k( 179) = ( 0.1935926 0.3332118 0.4000695), wk = 0.0020747 k( 180) = ( 0.1877262 0.3231144 0.4000695), wk = 0.0020747 k( 181) = ( 0.1818597 0.3130171 0.4000695), wk = 0.0020747 k( 182) = ( 0.1759933 0.3029198 0.4000695), wk = 0.0020747 k( 183) = ( 0.1701269 0.2928225 0.4000695), wk = 0.0020747 k( 184) = ( 0.1642604 0.2827251 0.4000695), wk = 0.0020747 k( 185) = ( 0.1583940 0.2726278 0.4000695), wk = 0.0020747 k( 186) = ( 0.1525275 0.2625305 0.4000695), wk = 0.0020747 k( 187) = ( 0.1466611 0.2524332 0.4000695), wk = 0.0020747 k( 188) = ( 0.1407946 0.2423358 0.4000695), wk = 0.0020747 k( 189) = ( 0.1349282 0.2322385 0.4000695), wk = 0.0020747 k( 190) = ( 0.1290618 0.2221412 0.4000695), wk = 0.0020747 k( 191) = ( 0.1231953 0.2120438 0.4000695), wk = 0.0020747 k( 192) = ( 0.1173289 0.2019465 0.4000695), wk = 0.0020747 k( 193) = ( 0.1114624 0.1918492 0.4000695), wk = 0.0020747 k( 194) = ( 0.1055960 0.1817519 0.4000695), wk = 0.0020747 k( 195) = ( 0.0997295 0.1716545 0.4000695), wk = 0.0020747 k( 196) = ( 0.0938631 0.1615572 0.4000695), wk = 0.0020747 k( 197) = ( 0.0879966 0.1514599 0.4000695), wk = 0.0020747 k( 198) = ( 0.0821302 0.1413626 0.4000695), wk = 0.0020747 k( 199) = ( 0.0762638 0.1312653 0.4000695), wk = 0.0020747 k( 200) = ( 0.0703973 0.1211679 0.4000695), wk = 0.0020747 k( 201) = ( 0.0645309 0.1110706 0.4000695), wk = 0.0020747 k( 202) = ( 0.0586644 0.1009733 0.4000695), wk = 0.0020747 k( 203) = ( 0.0527980 0.0908759 0.4000695), wk = 0.0020747 k( 204) = ( 0.0469316 0.0807786 0.4000695), wk = 0.0020747 k( 205) = ( 0.0410651 0.0706813 0.4000695), wk = 0.0020747 k( 206) = ( 0.0351987 0.0605840 0.4000695), wk = 0.0020747 k( 207) = ( 0.0293322 0.0504866 0.4000695), wk = 0.0020747 k( 208) = ( 0.0234658 0.0403893 0.4000695), wk = 0.0020747 k( 209) = ( 0.0175993 0.0302920 0.4000695), wk = 0.0020747 k( 210) = ( 0.0117329 0.0201947 0.4000695), wk = 0.0020747 k( 211) = ( 0.0058664 0.0100973 0.4000695), wk = 0.0020747 k( 212) = ( 0.0000000 0.0000000 0.4000695), wk = 0.0020747 k( 213) = ( 0.0000000 0.0000000 0.4000695), wk = 0.0020747 k( 214) = ( 0.0000000 0.0000000 0.3886390), wk = 0.0020747 k( 215) = ( 0.0000000 0.0000000 0.3772084), wk = 0.0020747 k( 216) = ( 0.0000000 0.0000000 0.3657778), wk = 0.0020747 k( 217) = ( 0.0000000 0.0000000 0.3543473), wk = 0.0020747 k( 218) = ( 0.0000000 0.0000000 0.3429167), wk = 0.0020747 k( 219) = ( 0.0000000 0.0000000 0.3314862), wk = 0.0020747 k( 220) = ( 0.0000000 0.0000000 0.3200556), wk = 0.0020747 k( 221) = ( 0.0000000 0.0000000 0.3086251), wk = 0.0020747 k( 222) = ( 0.0000000 0.0000000 0.2971945), wk = 0.0020747 k( 223) = ( 0.0000000 0.0000000 0.2857639), wk = 0.0020747 k( 224) = ( 0.0000000 0.0000000 0.2743334), wk = 0.0020747 k( 225) = ( 0.0000000 0.0000000 0.2629028), wk = 0.0020747 k( 226) = ( 0.0000000 0.0000000 0.2514723), wk = 0.0020747 k( 227) = ( 0.0000000 0.0000000 0.2400417), wk = 0.0020747 k( 228) = ( 0.0000000 0.0000000 0.2286112), wk = 0.0020747 k( 229) = ( 0.0000000 0.0000000 0.2171806), wk = 0.0020747 k( 230) = ( 0.0000000 0.0000000 0.2057500), wk = 0.0020747 k( 231) = ( 0.0000000 0.0000000 0.1943195), wk = 0.0020747 k( 232) = ( 0.0000000 0.0000000 0.1828889), wk = 0.0020747 k( 233) = ( 0.0000000 0.0000000 0.1714584), wk = 0.0020747 k( 234) = ( 0.0000000 0.0000000 0.1600278), wk = 0.0020747 k( 235) = ( 0.0000000 0.0000000 0.1485973), wk = 0.0020747 k( 236) = ( 0.0000000 0.0000000 0.1371667), wk = 0.0020747 k( 237) = ( 0.0000000 0.0000000 0.1257361), wk = 0.0020747 k( 238) = ( 0.0000000 0.0000000 0.1143056), wk = 0.0020747 k( 239) = ( 0.0000000 0.0000000 0.1028750), wk = 0.0020747 k( 240) = ( 0.0000000 0.0000000 0.0914445), wk = 0.0020747 k( 241) = ( 0.0000000 0.0000000 0.0800139), wk = 0.0020747 k( 242) = ( 0.0000000 0.0000000 0.0685833), wk = 0.0020747 k( 243) = ( 0.0000000 0.0000000 0.0571528), wk = 0.0020747 k( 244) = ( 0.0000000 0.0000000 0.0457222), wk = 0.0020747 k( 245) = ( 0.0000000 0.0000000 0.0342917), wk = 0.0020747 k( 246) = ( 0.0000000 0.0000000 0.0228611), wk = 0.0020747 k( 247) = ( 0.0000000 0.0000000 0.0114306), wk = 0.0020747 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 250) = ( -0.0100000 0.0058099 0.0000000), wk = 0.0020747 k( 251) = ( -0.0200000 0.0116198 0.0000000), wk = 0.0020747 k( 252) = ( -0.0300000 0.0174297 0.0000000), wk = 0.0020747 k( 253) = ( -0.0400000 0.0232396 0.0000000), wk = 0.0020747 k( 254) = ( -0.0500000 0.0290495 0.0000000), wk = 0.0020747 k( 255) = ( -0.0600000 0.0348594 0.0000000), wk = 0.0020747 k( 256) = ( -0.0700000 0.0406693 0.0000000), wk = 0.0020747 k( 257) = ( -0.0800000 0.0464792 0.0000000), wk = 0.0020747 k( 258) = ( -0.0900000 0.0522891 0.0000000), wk = 0.0020747 k( 259) = ( -0.1000000 0.0580990 0.0000000), wk = 0.0020747 k( 260) = ( -0.1100000 0.0639089 0.0000000), wk = 0.0020747 k( 261) = ( -0.1200000 0.0697188 0.0000000), wk = 0.0020747 k( 262) = ( -0.1300000 0.0755287 0.0000000), wk = 0.0020747 k( 263) = ( -0.1400000 0.0813386 0.0000000), wk = 0.0020747 k( 264) = ( -0.1500000 0.0871485 0.0000000), wk = 0.0020747 k( 265) = ( -0.1600000 0.0929584 0.0000000), wk = 0.0020747 k( 266) = ( -0.1700000 0.0987683 0.0000000), wk = 0.0020747 k( 267) = ( -0.1800000 0.1045782 0.0000000), wk = 0.0020747 k( 268) = ( -0.1900000 0.1103881 0.0000000), wk = 0.0020747 k( 269) = ( -0.2000000 0.1161980 0.0000000), wk = 0.0020747 k( 270) = ( -0.2100000 0.1220079 0.0000000), wk = 0.0020747 k( 271) = ( -0.2200000 0.1278178 0.0000000), wk = 0.0020747 k( 272) = ( -0.2300000 0.1336277 0.0000000), wk = 0.0020747 k( 273) = ( -0.2400000 0.1394375 0.0000000), wk = 0.0020747 k( 274) = ( -0.2500000 0.1452474 0.0000000), wk = 0.0020747 k( 275) = ( -0.2600000 0.1510573 0.0000000), wk = 0.0020747 k( 276) = ( -0.2700000 0.1568672 0.0000000), wk = 0.0020747 k( 277) = ( -0.2800000 0.1626771 0.0000000), wk = 0.0020747 k( 278) = ( -0.2900000 0.1684870 0.0000000), wk = 0.0020747 k( 279) = ( -0.3000000 0.1742969 0.0000000), wk = 0.0020747 k( 280) = ( -0.3100000 0.1801068 0.0000000), wk = 0.0020747 k( 281) = ( -0.3200000 0.1859167 0.0000000), wk = 0.0020747 k( 282) = ( -0.3300000 0.1917266 0.0000000), wk = 0.0020747 k( 283) = ( -0.3400000 0.1975365 0.0000000), wk = 0.0020747 k( 284) = ( -0.3500000 0.2033464 0.0000000), wk = 0.0020747 k( 285) = ( -0.3600000 0.2091563 0.0000000), wk = 0.0020747 k( 286) = ( -0.3700000 0.2149662 0.0000000), wk = 0.0020747 k( 287) = ( -0.3800000 0.2207761 0.0000000), wk = 0.0020747 k( 288) = ( -0.3900000 0.2265860 0.0000000), wk = 0.0020747 k( 289) = ( -0.4000000 0.2323959 0.0000000), wk = 0.0020747 k( 290) = ( -0.4100000 0.2382058 0.0000000), wk = 0.0020747 k( 291) = ( -0.4200000 0.2440157 0.0000000), wk = 0.0020747 k( 292) = ( -0.4300000 0.2498256 0.0000000), wk = 0.0020747 k( 293) = ( -0.4400000 0.2556355 0.0000000), wk = 0.0020747 k( 294) = ( -0.4500000 0.2614454 0.0000000), wk = 0.0020747 k( 295) = ( -0.4600000 0.2672553 0.0000000), wk = 0.0020747 k( 296) = ( -0.4700000 0.2730652 0.0000000), wk = 0.0020747 k( 297) = ( -0.4800000 0.2788751 0.0000000), wk = 0.0020747 k( 298) = ( -0.4900000 0.2846850 0.0000000), wk = 0.0020747 k( 299) = ( -0.5000000 0.2904949 0.0000000), wk = 0.0020747 k( 300) = ( -0.5000000 0.2904949 0.0000000), wk = 0.0020747 k( 301) = ( -0.4942892 0.3003243 -0.0000000), wk = 0.0020747 k( 302) = ( -0.4885784 0.3101537 -0.0000000), wk = 0.0020747 k( 303) = ( -0.4828676 0.3199831 -0.0000000), wk = 0.0020747 k( 304) = ( -0.4771569 0.3298125 -0.0000000), wk = 0.0020747 k( 305) = ( -0.4714461 0.3396419 -0.0000000), wk = 0.0020747 k( 306) = ( -0.4657353 0.3494713 -0.0000000), wk = 0.0020747 k( 307) = ( -0.4600245 0.3593007 -0.0000000), wk = 0.0020747 k( 308) = ( -0.4543137 0.3691301 -0.0000000), wk = 0.0020747 k( 309) = ( -0.4486030 0.3789595 -0.0000000), wk = 0.0020747 k( 310) = ( -0.4428922 0.3887889 -0.0000000), wk = 0.0020747 k( 311) = ( -0.4371814 0.3986183 -0.0000000), wk = 0.0020747 k( 312) = ( -0.4314706 0.4084477 -0.0000000), wk = 0.0020747 k( 313) = ( -0.4257598 0.4182771 -0.0000000), wk = 0.0020747 k( 314) = ( -0.4200490 0.4281066 -0.0000000), wk = 0.0020747 k( 315) = ( -0.4143383 0.4379360 -0.0000000), wk = 0.0020747 k( 316) = ( -0.4086275 0.4477654 -0.0000000), wk = 0.0020747 k( 317) = ( -0.4029167 0.4575948 -0.0000000), wk = 0.0020747 k( 318) = ( -0.3972059 0.4674242 -0.0000000), wk = 0.0020747 k( 319) = ( -0.3914951 0.4772536 -0.0000000), wk = 0.0020747 k( 320) = ( -0.3857843 0.4870830 -0.0000000), wk = 0.0020747 k( 321) = ( -0.3800735 0.4969124 -0.0000000), wk = 0.0020747 k( 322) = ( -0.3743628 0.5067418 -0.0000000), wk = 0.0020747 k( 323) = ( -0.3686520 0.5165712 -0.0000000), wk = 0.0020747 k( 324) = ( -0.3629412 0.5264006 -0.0000000), wk = 0.0020747 k( 325) = ( -0.3572304 0.5362300 -0.0000000), wk = 0.0020747 k( 326) = ( -0.3515196 0.5460594 -0.0000000), wk = 0.0020747 k( 327) = ( -0.3458089 0.5558888 -0.0000000), wk = 0.0020747 k( 328) = ( -0.3400981 0.5657182 -0.0000000), wk = 0.0020747 k( 329) = ( -0.3343873 0.5755476 -0.0000000), wk = 0.0020747 k( 330) = ( -0.3343873 0.5755476 -0.0000000), wk = 0.0020747 k( 331) = ( -0.3343873 0.5755476 0.0114306), wk = 0.0020747 k( 332) = ( -0.3343873 0.5755476 0.0228611), wk = 0.0020747 k( 333) = ( -0.3343873 0.5755476 0.0342917), wk = 0.0020747 k( 334) = ( -0.3343873 0.5755476 0.0457222), wk = 0.0020747 k( 335) = ( -0.3343873 0.5755476 0.0571528), wk = 0.0020747 k( 336) = ( -0.3343873 0.5755476 0.0685833), wk = 0.0020747 k( 337) = ( -0.3343873 0.5755476 0.0800139), wk = 0.0020747 k( 338) = ( -0.3343873 0.5755476 0.0914445), wk = 0.0020747 k( 339) = ( -0.3343873 0.5755476 0.1028750), wk = 0.0020747 k( 340) = ( -0.3343873 0.5755476 0.1143056), wk = 0.0020747 k( 341) = ( -0.3343873 0.5755476 0.1257361), wk = 0.0020747 k( 342) = ( -0.3343873 0.5755476 0.1371667), wk = 0.0020747 k( 343) = ( -0.3343873 0.5755476 0.1485973), wk = 0.0020747 k( 344) = ( -0.3343873 0.5755476 0.1600278), wk = 0.0020747 k( 345) = ( -0.3343873 0.5755476 0.1714584), wk = 0.0020747 k( 346) = ( -0.3343873 0.5755476 0.1828889), wk = 0.0020747 k( 347) = ( -0.3343873 0.5755476 0.1943195), wk = 0.0020747 k( 348) = ( -0.3343873 0.5755476 0.2057500), wk = 0.0020747 k( 349) = ( -0.3343873 0.5755476 0.2171806), wk = 0.0020747 k( 350) = ( -0.3343873 0.5755476 0.2286112), wk = 0.0020747 k( 351) = ( -0.3343873 0.5755476 0.2400417), wk = 0.0020747 k( 352) = ( -0.3343873 0.5755476 0.2514723), wk = 0.0020747 k( 353) = ( -0.3343873 0.5755476 0.2629028), wk = 0.0020747 k( 354) = ( -0.3343873 0.5755476 0.2743334), wk = 0.0020747 k( 355) = ( -0.3343873 0.5755476 0.2857639), wk = 0.0020747 k( 356) = ( -0.3343873 0.5755476 0.2971945), wk = 0.0020747 k( 357) = ( -0.3343873 0.5755476 0.3086251), wk = 0.0020747 k( 358) = ( -0.3343873 0.5755476 0.3200556), wk = 0.0020747 k( 359) = ( -0.3343873 0.5755476 0.3314862), wk = 0.0020747 k( 360) = ( -0.3343873 0.5755476 0.3429167), wk = 0.0020747 k( 361) = ( -0.3343873 0.5755476 0.3543473), wk = 0.0020747 k( 362) = ( -0.3343873 0.5755476 0.3657778), wk = 0.0020747 k( 363) = ( -0.3343873 0.5755476 0.3772084), wk = 0.0020747 k( 364) = ( -0.3343873 0.5755476 0.3886390), wk = 0.0020747 k( 365) = ( -0.3343873 0.5755476 0.4000695), wk = 0.0020747 k( 366) = ( -0.3343873 0.5755476 0.4000695), wk = 0.0020747 k( 367) = ( -0.3400981 0.5657182 0.4000695), wk = 0.0020747 k( 368) = ( -0.3458089 0.5558888 0.4000695), wk = 0.0020747 k( 369) = ( -0.3515196 0.5460594 0.4000695), wk = 0.0020747 k( 370) = ( -0.3572304 0.5362300 0.4000695), wk = 0.0020747 k( 371) = ( -0.3629412 0.5264006 0.4000695), wk = 0.0020747 k( 372) = ( -0.3686520 0.5165712 0.4000695), wk = 0.0020747 k( 373) = ( -0.3743628 0.5067418 0.4000695), wk = 0.0020747 k( 374) = ( -0.3800735 0.4969124 0.4000695), wk = 0.0020747 k( 375) = ( -0.3857843 0.4870830 0.4000695), wk = 0.0020747 k( 376) = ( -0.3914951 0.4772536 0.4000695), wk = 0.0020747 k( 377) = ( -0.3972059 0.4674242 0.4000695), wk = 0.0020747 k( 378) = ( -0.4029167 0.4575948 0.4000695), wk = 0.0020747 k( 379) = ( -0.4086275 0.4477654 0.4000695), wk = 0.0020747 k( 380) = ( -0.4143383 0.4379360 0.4000695), wk = 0.0020747 k( 381) = ( -0.4200490 0.4281066 0.4000695), wk = 0.0020747 k( 382) = ( -0.4257598 0.4182771 0.4000695), wk = 0.0020747 k( 383) = ( -0.4314706 0.4084477 0.4000695), wk = 0.0020747 k( 384) = ( -0.4371814 0.3986183 0.4000695), wk = 0.0020747 k( 385) = ( -0.4428922 0.3887889 0.4000695), wk = 0.0020747 k( 386) = ( -0.4486030 0.3789595 0.4000695), wk = 0.0020747 k( 387) = ( -0.4543137 0.3691301 0.4000695), wk = 0.0020747 k( 388) = ( -0.4600245 0.3593007 0.4000695), wk = 0.0020747 k( 389) = ( -0.4657353 0.3494713 0.4000695), wk = 0.0020747 k( 390) = ( -0.4714461 0.3396419 0.4000695), wk = 0.0020747 k( 391) = ( -0.4771569 0.3298125 0.4000695), wk = 0.0020747 k( 392) = ( -0.4828676 0.3199831 0.4000695), wk = 0.0020747 k( 393) = ( -0.4885784 0.3101537 0.4000695), wk = 0.0020747 k( 394) = ( -0.4942892 0.3003243 0.4000695), wk = 0.0020747 k( 395) = ( -0.5000000 0.2904949 0.4000695), wk = 0.0020747 k( 396) = ( -0.5000000 0.2904949 0.4000695), wk = 0.0020747 k( 397) = ( -0.5000000 0.2904949 0.3886390), wk = 0.0020747 k( 398) = ( -0.5000000 0.2904949 0.3772084), wk = 0.0020747 k( 399) = ( -0.5000000 0.2904949 0.3657778), wk = 0.0020747 k( 400) = ( -0.5000000 0.2904949 0.3543473), wk = 0.0020747 k( 401) = ( -0.5000000 0.2904949 0.3429167), wk = 0.0020747 k( 402) = ( -0.5000000 0.2904949 0.3314862), wk = 0.0020747 k( 403) = ( -0.5000000 0.2904949 0.3200556), wk = 0.0020747 k( 404) = ( -0.5000000 0.2904949 0.3086251), wk = 0.0020747 k( 405) = ( -0.5000000 0.2904949 0.2971945), wk = 0.0020747 k( 406) = ( -0.5000000 0.2904949 0.2857639), wk = 0.0020747 k( 407) = ( -0.5000000 0.2904949 0.2743334), wk = 0.0020747 k( 408) = ( -0.5000000 0.2904949 0.2629028), wk = 0.0020747 k( 409) = ( -0.5000000 0.2904949 0.2514723), wk = 0.0020747 k( 410) = ( -0.5000000 0.2904949 0.2400417), wk = 0.0020747 k( 411) = ( -0.5000000 0.2904949 0.2286112), wk = 0.0020747 k( 412) = ( -0.5000000 0.2904949 0.2171806), wk = 0.0020747 k( 413) = ( -0.5000000 0.2904949 0.2057500), wk = 0.0020747 k( 414) = ( -0.5000000 0.2904949 0.1943195), wk = 0.0020747 k( 415) = ( -0.5000000 0.2904949 0.1828889), wk = 0.0020747 k( 416) = ( -0.5000000 0.2904949 0.1714584), wk = 0.0020747 k( 417) = ( -0.5000000 0.2904949 0.1600278), wk = 0.0020747 k( 418) = ( -0.5000000 0.2904949 0.1485973), wk = 0.0020747 k( 419) = ( -0.5000000 0.2904949 0.1371667), wk = 0.0020747 k( 420) = ( -0.5000000 0.2904949 0.1257361), wk = 0.0020747 k( 421) = ( -0.5000000 0.2904949 0.1143056), wk = 0.0020747 k( 422) = ( -0.5000000 0.2904949 0.1028750), wk = 0.0020747 k( 423) = ( -0.5000000 0.2904949 0.0914445), wk = 0.0020747 k( 424) = ( -0.5000000 0.2904949 0.0800139), wk = 0.0020747 k( 425) = ( -0.5000000 0.2904949 0.0685833), wk = 0.0020747 k( 426) = ( -0.5000000 0.2904949 0.0571528), wk = 0.0020747 k( 427) = ( -0.5000000 0.2904949 0.0457222), wk = 0.0020747 k( 428) = ( -0.5000000 0.2904949 0.0342917), wk = 0.0020747 k( 429) = ( -0.5000000 0.2904949 0.0228611), wk = 0.0020747 k( 430) = ( -0.5000000 0.2904949 0.0114306), wk = 0.0020747 k( 431) = ( -0.5000000 0.2904949 0.0000000), wk = 0.0020747 k( 432) = ( 0.0000000 0.0000000 0.4000695), wk = 0.0020747 k( 433) = ( -0.0100000 0.0058099 0.4000695), wk = 0.0020747 k( 434) = ( -0.0200000 0.0116198 0.4000695), wk = 0.0020747 k( 435) = ( -0.0300000 0.0174297 0.4000695), wk = 0.0020747 k( 436) = ( -0.0400000 0.0232396 0.4000695), wk = 0.0020747 k( 437) = ( -0.0500000 0.0290495 0.4000695), wk = 0.0020747 k( 438) = ( -0.0600000 0.0348594 0.4000695), wk = 0.0020747 k( 439) = ( -0.0700000 0.0406693 0.4000695), wk = 0.0020747 k( 440) = ( -0.0800000 0.0464792 0.4000695), wk = 0.0020747 k( 441) = ( -0.0900000 0.0522891 0.4000695), wk = 0.0020747 k( 442) = ( -0.1000000 0.0580990 0.4000695), wk = 0.0020747 k( 443) = ( -0.1100000 0.0639089 0.4000695), wk = 0.0020747 k( 444) = ( -0.1200000 0.0697188 0.4000695), wk = 0.0020747 k( 445) = ( -0.1300000 0.0755287 0.4000695), wk = 0.0020747 k( 446) = ( -0.1400000 0.0813386 0.4000695), wk = 0.0020747 k( 447) = ( -0.1500000 0.0871485 0.4000695), wk = 0.0020747 k( 448) = ( -0.1600000 0.0929584 0.4000695), wk = 0.0020747 k( 449) = ( -0.1700000 0.0987683 0.4000695), wk = 0.0020747 k( 450) = ( -0.1800000 0.1045782 0.4000695), wk = 0.0020747 k( 451) = ( -0.1900000 0.1103881 0.4000695), wk = 0.0020747 k( 452) = ( -0.2000000 0.1161980 0.4000695), wk = 0.0020747 k( 453) = ( -0.2100000 0.1220079 0.4000695), wk = 0.0020747 k( 454) = ( -0.2200000 0.1278178 0.4000695), wk = 0.0020747 k( 455) = ( -0.2300000 0.1336277 0.4000695), wk = 0.0020747 k( 456) = ( -0.2400000 0.1394375 0.4000695), wk = 0.0020747 k( 457) = ( -0.2500000 0.1452474 0.4000695), wk = 0.0020747 k( 458) = ( -0.2600000 0.1510573 0.4000695), wk = 0.0020747 k( 459) = ( -0.2700000 0.1568672 0.4000695), wk = 0.0020747 k( 460) = ( -0.2800000 0.1626771 0.4000695), wk = 0.0020747 k( 461) = ( -0.2900000 0.1684870 0.4000695), wk = 0.0020747 k( 462) = ( -0.3000000 0.1742969 0.4000695), wk = 0.0020747 k( 463) = ( -0.3100000 0.1801068 0.4000695), wk = 0.0020747 k( 464) = ( -0.3200000 0.1859167 0.4000695), wk = 0.0020747 k( 465) = ( -0.3300000 0.1917266 0.4000695), wk = 0.0020747 k( 466) = ( -0.3400000 0.1975365 0.4000695), wk = 0.0020747 k( 467) = ( -0.3500000 0.2033464 0.4000695), wk = 0.0020747 k( 468) = ( -0.3600000 0.2091563 0.4000695), wk = 0.0020747 k( 469) = ( -0.3700000 0.2149662 0.4000695), wk = 0.0020747 k( 470) = ( -0.3800000 0.2207761 0.4000695), wk = 0.0020747 k( 471) = ( -0.3900000 0.2265860 0.4000695), wk = 0.0020747 k( 472) = ( -0.4000000 0.2323959 0.4000695), wk = 0.0020747 k( 473) = ( -0.4100000 0.2382058 0.4000695), wk = 0.0020747 k( 474) = ( -0.4200000 0.2440157 0.4000695), wk = 0.0020747 k( 475) = ( -0.4300000 0.2498256 0.4000695), wk = 0.0020747 k( 476) = ( -0.4400000 0.2556355 0.4000695), wk = 0.0020747 k( 477) = ( -0.4500000 0.2614454 0.4000695), wk = 0.0020747 k( 478) = ( -0.4600000 0.2672553 0.4000695), wk = 0.0020747 k( 479) = ( -0.4700000 0.2730652 0.4000695), wk = 0.0020747 k( 480) = ( -0.4800000 0.2788751 0.4000695), wk = 0.0020747 k( 481) = ( -0.4900000 0.2846850 0.4000695), wk = 0.0020747 k( 482) = ( -0.5000000 0.2904949 0.4000695), wk = 0.0020747 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 2) = ( 0.0058664 0.0058664 -0.0000000), wk = 0.0020747 k( 3) = ( 0.0117329 0.0117329 0.0000000), wk = 0.0020747 k( 4) = ( 0.0175993 0.0175993 0.0000000), wk = 0.0020747 k( 5) = ( 0.0234658 0.0234658 -0.0000000), wk = 0.0020747 k( 6) = ( 0.0293322 0.0293322 -0.0000000), wk = 0.0020747 k( 7) = ( 0.0351987 0.0351987 0.0000000), wk = 0.0020747 k( 8) = ( 0.0410651 0.0410651 0.0000000), wk = 0.0020747 k( 9) = ( 0.0469316 0.0469315 -0.0000000), wk = 0.0020747 k( 10) = ( 0.0527980 0.0527980 -0.0000000), wk = 0.0020747 k( 11) = ( 0.0586644 0.0586644 -0.0000000), wk = 0.0020747 k( 12) = ( 0.0645309 0.0645309 -0.0000000), wk = 0.0020747 k( 13) = ( 0.0703973 0.0703973 0.0000000), wk = 0.0020747 k( 14) = ( 0.0762638 0.0762638 0.0000000), wk = 0.0020747 k( 15) = ( 0.0821302 0.0821302 0.0000000), wk = 0.0020747 k( 16) = ( 0.0879966 0.0879966 0.0000000), wk = 0.0020747 k( 17) = ( 0.0938631 0.0938631 -0.0000000), wk = 0.0020747 k( 18) = ( 0.0997295 0.0997295 0.0000000), wk = 0.0020747 k( 19) = ( 0.1055960 0.1055960 -0.0000000), wk = 0.0020747 k( 20) = ( 0.1114624 0.1114624 -0.0000000), wk = 0.0020747 k( 21) = ( 0.1173289 0.1173289 0.0000000), wk = 0.0020747 k( 22) = ( 0.1231953 0.1231953 -0.0000000), wk = 0.0020747 k( 23) = ( 0.1290618 0.1290618 -0.0000000), wk = 0.0020747 k( 24) = ( 0.1349282 0.1349282 -0.0000000), wk = 0.0020747 k( 25) = ( 0.1407946 0.1407946 0.0000000), wk = 0.0020747 k( 26) = ( 0.1466611 0.1466611 0.0000000), wk = 0.0020747 k( 27) = ( 0.1525275 0.1525275 -0.0000000), wk = 0.0020747 k( 28) = ( 0.1583940 0.1583940 0.0000000), wk = 0.0020747 k( 29) = ( 0.1642604 0.1642604 0.0000000), wk = 0.0020747 k( 30) = ( 0.1701269 0.1701269 0.0000000), wk = 0.0020747 k( 31) = ( 0.1759933 0.1759933 -0.0000000), wk = 0.0020747 k( 32) = ( 0.1818597 0.1818597 -0.0000000), wk = 0.0020747 k( 33) = ( 0.1877262 0.1877262 0.0000000), wk = 0.0020747 k( 34) = ( 0.1935926 0.1935926 -0.0000000), wk = 0.0020747 k( 35) = ( 0.1994591 0.1994591 0.0000000), wk = 0.0020747 k( 36) = ( 0.2053255 0.2053255 -0.0000000), wk = 0.0020747 k( 37) = ( 0.2111920 0.2111920 -0.0000000), wk = 0.0020747 k( 38) = ( 0.2170584 0.2170584 -0.0000000), wk = 0.0020747 k( 39) = ( 0.2229249 0.2229249 -0.0000000), wk = 0.0020747 k( 40) = ( 0.2287913 0.2287913 0.0000000), wk = 0.0020747 k( 41) = ( 0.2346577 0.2346577 0.0000000), wk = 0.0020747 k( 42) = ( 0.2405242 0.2405242 -0.0000000), wk = 0.0020747 k( 43) = ( 0.2463906 0.2463906 0.0000000), wk = 0.0020747 k( 44) = ( 0.2522571 0.2522571 -0.0000000), wk = 0.0020747 k( 45) = ( 0.2581235 0.2581235 -0.0000000), wk = 0.0020747 k( 46) = ( 0.2639900 0.2639900 0.0000000), wk = 0.0020747 k( 47) = ( 0.2698564 0.2698564 -0.0000000), wk = 0.0020747 k( 48) = ( 0.2757229 0.2757228 0.0000000), wk = 0.0020747 k( 49) = ( 0.2815893 0.2815893 0.0000000), wk = 0.0020747 k( 50) = ( 0.2874557 0.2874557 -0.0000000), wk = 0.0020747 k( 51) = ( 0.2933222 0.2933222 0.0000000), wk = 0.0020747 k( 52) = ( 0.2991886 0.2991886 0.0000000), wk = 0.0020747 k( 53) = ( 0.3050551 0.3050551 0.0000000), wk = 0.0020747 k( 54) = ( 0.3109215 0.3109215 0.0000000), wk = 0.0020747 k( 55) = ( 0.3167879 0.3167879 0.0000000), wk = 0.0020747 k( 56) = ( 0.3226544 0.3226544 0.0000000), wk = 0.0020747 k( 57) = ( 0.3285208 0.3285208 0.0000000), wk = 0.0020747 k( 58) = ( 0.3343873 0.3343873 -0.0000000), wk = 0.0020747 k( 59) = ( 0.3343873 0.3343873 -0.0000000), wk = 0.0020747 k( 60) = ( 0.3228567 0.3400981 0.0000000), wk = 0.0020747 k( 61) = ( 0.3113261 0.3458089 0.0000000), wk = 0.0020747 k( 62) = ( 0.2997955 0.3515196 -0.0000000), wk = 0.0020747 k( 63) = ( 0.2882649 0.3572304 0.0000000), wk = 0.0020747 k( 64) = ( 0.2767343 0.3629412 0.0000000), wk = 0.0020747 k( 65) = ( 0.2652037 0.3686520 0.0000000), wk = 0.0020747 k( 66) = ( 0.2536731 0.3743628 -0.0000000), wk = 0.0020747 k( 67) = ( 0.2421425 0.3800735 0.0000000), wk = 0.0020747 k( 68) = ( 0.2306119 0.3857843 -0.0000000), wk = 0.0020747 k( 69) = ( 0.2190813 0.3914951 0.0000000), wk = 0.0020747 k( 70) = ( 0.2075507 0.3972059 0.0000000), wk = 0.0020747 k( 71) = ( 0.1960201 0.4029167 0.0000000), wk = 0.0020747 k( 72) = ( 0.1844895 0.4086275 0.0000000), wk = 0.0020747 k( 73) = ( 0.1729589 0.4143383 0.0000000), wk = 0.0020747 k( 74) = ( 0.1614283 0.4200490 0.0000000), wk = 0.0020747 k( 75) = ( 0.1498977 0.4257598 -0.0000000), wk = 0.0020747 k( 76) = ( 0.1383671 0.4314706 0.0000000), wk = 0.0020747 k( 77) = ( 0.1268366 0.4371814 -0.0000000), wk = 0.0020747 k( 78) = ( 0.1153060 0.4428922 0.0000000), wk = 0.0020747 k( 79) = ( 0.1037754 0.4486030 0.0000000), wk = 0.0020747 k( 80) = ( 0.0922448 0.4543137 -0.0000000), wk = 0.0020747 k( 81) = ( 0.0807142 0.4600245 -0.0000000), wk = 0.0020747 k( 82) = ( 0.0691836 0.4657353 0.0000000), wk = 0.0020747 k( 83) = ( 0.0576530 0.4714461 -0.0000000), wk = 0.0020747 k( 84) = ( 0.0461224 0.4771569 0.0000000), wk = 0.0020747 k( 85) = ( 0.0345918 0.4828677 0.0000000), wk = 0.0020747 k( 86) = ( 0.0230612 0.4885784 0.0000000), wk = 0.0020747 k( 87) = ( 0.0115306 0.4942892 -0.0000000), wk = 0.0020747 k( 88) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020747 k( 89) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020747 k( 90) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0020747 k( 91) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0020747 k( 92) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0020747 k( 93) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0020747 k( 94) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0020747 k( 95) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0020747 k( 96) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0020747 k( 97) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0020747 k( 98) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0020747 k( 99) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0020747 k( 100) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0020747 k( 101) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0020747 k( 102) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0020747 k( 103) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0020747 k( 104) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0020747 k( 105) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0020747 k( 106) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0020747 k( 107) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0020747 k( 108) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0020747 k( 109) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0020747 k( 110) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0020747 k( 111) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0020747 k( 112) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0020747 k( 113) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0020747 k( 114) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0020747 k( 115) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0020747 k( 116) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0020747 k( 117) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0020747 k( 118) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0020747 k( 119) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0020747 k( 120) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0020747 k( 121) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0020747 k( 122) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0020747 k( 123) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0020747 k( 124) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020747 k( 125) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020747 k( 126) = ( 0.0115306 0.4942892 0.5000000), wk = 0.0020747 k( 127) = ( 0.0230612 0.4885784 0.5000000), wk = 0.0020747 k( 128) = ( 0.0345918 0.4828677 0.5000000), wk = 0.0020747 k( 129) = ( 0.0461224 0.4771569 0.5000000), wk = 0.0020747 k( 130) = ( 0.0576530 0.4714461 0.5000000), wk = 0.0020747 k( 131) = ( 0.0691836 0.4657353 0.5000000), wk = 0.0020747 k( 132) = ( 0.0807142 0.4600245 0.5000000), wk = 0.0020747 k( 133) = ( 0.0922448 0.4543137 0.5000000), wk = 0.0020747 k( 134) = ( 0.1037754 0.4486030 0.5000000), wk = 0.0020747 k( 135) = ( 0.1153060 0.4428922 0.5000000), wk = 0.0020747 k( 136) = ( 0.1268366 0.4371814 0.5000000), wk = 0.0020747 k( 137) = ( 0.1383671 0.4314706 0.5000000), wk = 0.0020747 k( 138) = ( 0.1498977 0.4257598 0.5000000), wk = 0.0020747 k( 139) = ( 0.1614283 0.4200490 0.5000000), wk = 0.0020747 k( 140) = ( 0.1729589 0.4143383 0.5000000), wk = 0.0020747 k( 141) = ( 0.1844895 0.4086275 0.5000000), wk = 0.0020747 k( 142) = ( 0.1960201 0.4029167 0.5000000), wk = 0.0020747 k( 143) = ( 0.2075507 0.3972059 0.5000000), wk = 0.0020747 k( 144) = ( 0.2190813 0.3914951 0.5000000), wk = 0.0020747 k( 145) = ( 0.2306119 0.3857843 0.5000000), wk = 0.0020747 k( 146) = ( 0.2421425 0.3800735 0.5000000), wk = 0.0020747 k( 147) = ( 0.2536731 0.3743628 0.5000000), wk = 0.0020747 k( 148) = ( 0.2652037 0.3686520 0.5000000), wk = 0.0020747 k( 149) = ( 0.2767343 0.3629412 0.5000000), wk = 0.0020747 k( 150) = ( 0.2882649 0.3572304 0.5000000), wk = 0.0020747 k( 151) = ( 0.2997955 0.3515196 0.5000000), wk = 0.0020747 k( 152) = ( 0.3113261 0.3458089 0.5000000), wk = 0.0020747 k( 153) = ( 0.3228567 0.3400981 0.5000000), wk = 0.0020747 k( 154) = ( 0.3343873 0.3343873 0.5000000), wk = 0.0020747 k( 155) = ( 0.3343873 0.3343873 0.5000000), wk = 0.0020747 k( 156) = ( 0.3285208 0.3285208 0.5000000), wk = 0.0020747 k( 157) = ( 0.3226544 0.3226544 0.5000000), wk = 0.0020747 k( 158) = ( 0.3167879 0.3167879 0.5000000), wk = 0.0020747 k( 159) = ( 0.3109215 0.3109215 0.5000000), wk = 0.0020747 k( 160) = ( 0.3050551 0.3050551 0.5000000), wk = 0.0020747 k( 161) = ( 0.2991886 0.2991886 0.5000000), wk = 0.0020747 k( 162) = ( 0.2933222 0.2933222 0.5000000), wk = 0.0020747 k( 163) = ( 0.2874557 0.2874557 0.5000000), wk = 0.0020747 k( 164) = ( 0.2815893 0.2815893 0.5000000), wk = 0.0020747 k( 165) = ( 0.2757229 0.2757228 0.5000000), wk = 0.0020747 k( 166) = ( 0.2698564 0.2698564 0.5000000), wk = 0.0020747 k( 167) = ( 0.2639900 0.2639900 0.5000000), wk = 0.0020747 k( 168) = ( 0.2581235 0.2581235 0.5000000), wk = 0.0020747 k( 169) = ( 0.2522571 0.2522571 0.5000000), wk = 0.0020747 k( 170) = ( 0.2463906 0.2463906 0.5000000), wk = 0.0020747 k( 171) = ( 0.2405242 0.2405242 0.5000000), wk = 0.0020747 k( 172) = ( 0.2346577 0.2346577 0.5000000), wk = 0.0020747 k( 173) = ( 0.2287913 0.2287913 0.5000000), wk = 0.0020747 k( 174) = ( 0.2229249 0.2229249 0.5000000), wk = 0.0020747 k( 175) = ( 0.2170584 0.2170584 0.5000000), wk = 0.0020747 k( 176) = ( 0.2111920 0.2111920 0.5000000), wk = 0.0020747 k( 177) = ( 0.2053255 0.2053255 0.5000000), wk = 0.0020747 k( 178) = ( 0.1994591 0.1994591 0.5000000), wk = 0.0020747 k( 179) = ( 0.1935926 0.1935926 0.5000000), wk = 0.0020747 k( 180) = ( 0.1877262 0.1877262 0.5000000), wk = 0.0020747 k( 181) = ( 0.1818597 0.1818597 0.5000000), wk = 0.0020747 k( 182) = ( 0.1759933 0.1759933 0.5000000), wk = 0.0020747 k( 183) = ( 0.1701269 0.1701269 0.5000000), wk = 0.0020747 k( 184) = ( 0.1642604 0.1642604 0.5000000), wk = 0.0020747 k( 185) = ( 0.1583940 0.1583940 0.5000000), wk = 0.0020747 k( 186) = ( 0.1525275 0.1525275 0.5000000), wk = 0.0020747 k( 187) = ( 0.1466611 0.1466611 0.5000000), wk = 0.0020747 k( 188) = ( 0.1407946 0.1407946 0.5000000), wk = 0.0020747 k( 189) = ( 0.1349282 0.1349282 0.5000000), wk = 0.0020747 k( 190) = ( 0.1290618 0.1290618 0.5000000), wk = 0.0020747 k( 191) = ( 0.1231953 0.1231953 0.5000000), wk = 0.0020747 k( 192) = ( 0.1173289 0.1173289 0.5000000), wk = 0.0020747 k( 193) = ( 0.1114624 0.1114624 0.5000000), wk = 0.0020747 k( 194) = ( 0.1055960 0.1055960 0.5000000), wk = 0.0020747 k( 195) = ( 0.0997295 0.0997295 0.5000000), wk = 0.0020747 k( 196) = ( 0.0938631 0.0938631 0.5000000), wk = 0.0020747 k( 197) = ( 0.0879966 0.0879966 0.5000000), wk = 0.0020747 k( 198) = ( 0.0821302 0.0821302 0.5000000), wk = 0.0020747 k( 199) = ( 0.0762638 0.0762638 0.5000000), wk = 0.0020747 k( 200) = ( 0.0703973 0.0703973 0.5000000), wk = 0.0020747 k( 201) = ( 0.0645309 0.0645309 0.5000000), wk = 0.0020747 k( 202) = ( 0.0586644 0.0586644 0.5000000), wk = 0.0020747 k( 203) = ( 0.0527980 0.0527980 0.5000000), wk = 0.0020747 k( 204) = ( 0.0469316 0.0469315 0.5000000), wk = 0.0020747 k( 205) = ( 0.0410651 0.0410651 0.5000000), wk = 0.0020747 k( 206) = ( 0.0351987 0.0351987 0.5000000), wk = 0.0020747 k( 207) = ( 0.0293322 0.0293322 0.5000000), wk = 0.0020747 k( 208) = ( 0.0234658 0.0234658 0.5000000), wk = 0.0020747 k( 209) = ( 0.0175993 0.0175993 0.5000000), wk = 0.0020747 k( 210) = ( 0.0117329 0.0117329 0.5000000), wk = 0.0020747 k( 211) = ( 0.0058664 0.0058664 0.5000000), wk = 0.0020747 k( 212) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020747 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020747 k( 214) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0020747 k( 215) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0020747 k( 216) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0020747 k( 217) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0020747 k( 218) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020747 k( 219) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0020747 k( 220) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020747 k( 221) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0020747 k( 222) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0020747 k( 223) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020747 k( 224) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0020747 k( 225) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0020747 k( 226) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0020747 k( 227) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020747 k( 228) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020747 k( 229) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0020747 k( 230) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0020747 k( 231) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0020747 k( 232) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0020747 k( 233) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020747 k( 234) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020747 k( 235) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0020747 k( 236) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0020747 k( 237) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0020747 k( 238) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020747 k( 239) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0020747 k( 240) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0020747 k( 241) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020747 k( 242) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0020747 k( 243) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020747 k( 244) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0020747 k( 245) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0020747 k( 246) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0020747 k( 247) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0020747 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 250) = ( -0.0100000 0.0100000 -0.0000000), wk = 0.0020747 k( 251) = ( -0.0200000 0.0200000 -0.0000000), wk = 0.0020747 k( 252) = ( -0.0300000 0.0300000 -0.0000000), wk = 0.0020747 k( 253) = ( -0.0400000 0.0400000 -0.0000000), wk = 0.0020747 k( 254) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0020747 k( 255) = ( -0.0600000 0.0600000 -0.0000000), wk = 0.0020747 k( 256) = ( -0.0700000 0.0700000 -0.0000000), wk = 0.0020747 k( 257) = ( -0.0800000 0.0800000 -0.0000000), wk = 0.0020747 k( 258) = ( -0.0900000 0.0900000 0.0000000), wk = 0.0020747 k( 259) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0020747 k( 260) = ( -0.1100000 0.1100000 -0.0000000), wk = 0.0020747 k( 261) = ( -0.1200000 0.1200000 -0.0000000), wk = 0.0020747 k( 262) = ( -0.1300000 0.1300000 -0.0000000), wk = 0.0020747 k( 263) = ( -0.1400000 0.1400000 -0.0000000), wk = 0.0020747 k( 264) = ( -0.1500000 0.1500000 -0.0000000), wk = 0.0020747 k( 265) = ( -0.1600000 0.1600000 -0.0000000), wk = 0.0020747 k( 266) = ( -0.1700000 0.1700000 -0.0000000), wk = 0.0020747 k( 267) = ( -0.1800000 0.1800000 0.0000000), wk = 0.0020747 k( 268) = ( -0.1900000 0.1900000 -0.0000000), wk = 0.0020747 k( 269) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0020747 k( 270) = ( -0.2100000 0.2100000 -0.0000000), wk = 0.0020747 k( 271) = ( -0.2200000 0.2200000 -0.0000000), wk = 0.0020747 k( 272) = ( -0.2300000 0.2300000 -0.0000000), wk = 0.0020747 k( 273) = ( -0.2400000 0.2400000 -0.0000000), wk = 0.0020747 k( 274) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0020747 k( 275) = ( -0.2600000 0.2600000 -0.0000000), wk = 0.0020747 k( 276) = ( -0.2700000 0.2700000 -0.0000000), wk = 0.0020747 k( 277) = ( -0.2800000 0.2800000 -0.0000000), wk = 0.0020747 k( 278) = ( -0.2900000 0.2900000 -0.0000000), wk = 0.0020747 k( 279) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0020747 k( 280) = ( -0.3100000 0.3100000 -0.0000000), wk = 0.0020747 k( 281) = ( -0.3200000 0.3200000 -0.0000000), wk = 0.0020747 k( 282) = ( -0.3300000 0.3300000 0.0000000), wk = 0.0020747 k( 283) = ( -0.3400000 0.3400000 -0.0000000), wk = 0.0020747 k( 284) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0020747 k( 285) = ( -0.3600000 0.3600000 0.0000000), wk = 0.0020747 k( 286) = ( -0.3700000 0.3700000 0.0000000), wk = 0.0020747 k( 287) = ( -0.3800000 0.3800000 -0.0000000), wk = 0.0020747 k( 288) = ( -0.3900000 0.3900000 -0.0000000), wk = 0.0020747 k( 289) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0020747 k( 290) = ( -0.4100000 0.4100000 -0.0000000), wk = 0.0020747 k( 291) = ( -0.4200000 0.4200000 -0.0000000), wk = 0.0020747 k( 292) = ( -0.4300000 0.4300000 -0.0000000), wk = 0.0020747 k( 293) = ( -0.4400000 0.4400000 -0.0000000), wk = 0.0020747 k( 294) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0020747 k( 295) = ( -0.4600000 0.4600000 -0.0000000), wk = 0.0020747 k( 296) = ( -0.4700000 0.4700000 -0.0000000), wk = 0.0020747 k( 297) = ( -0.4800000 0.4800000 -0.0000000), wk = 0.0020747 k( 298) = ( -0.4900000 0.4900000 -0.0000000), wk = 0.0020747 k( 299) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020747 k( 300) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020747 k( 301) = ( -0.4942892 0.5057108 0.0000000), wk = 0.0020747 k( 302) = ( -0.4885784 0.5114216 0.0000000), wk = 0.0020747 k( 303) = ( -0.4828676 0.5171324 -0.0000000), wk = 0.0020747 k( 304) = ( -0.4771569 0.5228431 -0.0000000), wk = 0.0020747 k( 305) = ( -0.4714461 0.5285539 -0.0000000), wk = 0.0020747 k( 306) = ( -0.4657353 0.5342647 -0.0000000), wk = 0.0020747 k( 307) = ( -0.4600245 0.5399755 -0.0000000), wk = 0.0020747 k( 308) = ( -0.4543137 0.5456863 -0.0000000), wk = 0.0020747 k( 309) = ( -0.4486030 0.5513971 0.0000000), wk = 0.0020747 k( 310) = ( -0.4428922 0.5571078 -0.0000000), wk = 0.0020747 k( 311) = ( -0.4371814 0.5628186 0.0000000), wk = 0.0020747 k( 312) = ( -0.4314706 0.5685294 -0.0000000), wk = 0.0020747 k( 313) = ( -0.4257598 0.5742402 0.0000000), wk = 0.0020747 k( 314) = ( -0.4200490 0.5799510 -0.0000000), wk = 0.0020747 k( 315) = ( -0.4143383 0.5856617 -0.0000000), wk = 0.0020747 k( 316) = ( -0.4086275 0.5913725 -0.0000000), wk = 0.0020747 k( 317) = ( -0.4029167 0.5970833 0.0000000), wk = 0.0020747 k( 318) = ( -0.3972059 0.6027941 0.0000000), wk = 0.0020747 k( 319) = ( -0.3914951 0.6085049 -0.0000000), wk = 0.0020747 k( 320) = ( -0.3857843 0.6142157 -0.0000000), wk = 0.0020747 k( 321) = ( -0.3800735 0.6199265 -0.0000000), wk = 0.0020747 k( 322) = ( -0.3743628 0.6256372 0.0000000), wk = 0.0020747 k( 323) = ( -0.3686520 0.6313480 0.0000000), wk = 0.0020747 k( 324) = ( -0.3629412 0.6370588 -0.0000000), wk = 0.0020747 k( 325) = ( -0.3572304 0.6427696 0.0000000), wk = 0.0020747 k( 326) = ( -0.3515196 0.6484804 0.0000000), wk = 0.0020747 k( 327) = ( -0.3458089 0.6541912 -0.0000000), wk = 0.0020747 k( 328) = ( -0.3400981 0.6599019 -0.0000000), wk = 0.0020747 k( 329) = ( -0.3343873 0.6656127 -0.0000000), wk = 0.0020747 k( 330) = ( -0.3343873 0.6656127 -0.0000000), wk = 0.0020747 k( 331) = ( -0.3343873 0.6656127 0.0142857), wk = 0.0020747 k( 332) = ( -0.3343873 0.6656127 0.0285714), wk = 0.0020747 k( 333) = ( -0.3343873 0.6656127 0.0428571), wk = 0.0020747 k( 334) = ( -0.3343873 0.6656127 0.0571429), wk = 0.0020747 k( 335) = ( -0.3343873 0.6656127 0.0714286), wk = 0.0020747 k( 336) = ( -0.3343873 0.6656127 0.0857143), wk = 0.0020747 k( 337) = ( -0.3343873 0.6656127 0.1000000), wk = 0.0020747 k( 338) = ( -0.3343873 0.6656127 0.1142857), wk = 0.0020747 k( 339) = ( -0.3343873 0.6656127 0.1285714), wk = 0.0020747 k( 340) = ( -0.3343873 0.6656127 0.1428571), wk = 0.0020747 k( 341) = ( -0.3343873 0.6656127 0.1571429), wk = 0.0020747 k( 342) = ( -0.3343873 0.6656127 0.1714286), wk = 0.0020747 k( 343) = ( -0.3343873 0.6656127 0.1857143), wk = 0.0020747 k( 344) = ( -0.3343873 0.6656127 0.2000000), wk = 0.0020747 k( 345) = ( -0.3343873 0.6656127 0.2142857), wk = 0.0020747 k( 346) = ( -0.3343873 0.6656127 0.2285714), wk = 0.0020747 k( 347) = ( -0.3343873 0.6656127 0.2428571), wk = 0.0020747 k( 348) = ( -0.3343873 0.6656127 0.2571429), wk = 0.0020747 k( 349) = ( -0.3343873 0.6656127 0.2714286), wk = 0.0020747 k( 350) = ( -0.3343873 0.6656127 0.2857143), wk = 0.0020747 k( 351) = ( -0.3343873 0.6656127 0.3000000), wk = 0.0020747 k( 352) = ( -0.3343873 0.6656127 0.3142857), wk = 0.0020747 k( 353) = ( -0.3343873 0.6656127 0.3285714), wk = 0.0020747 k( 354) = ( -0.3343873 0.6656127 0.3428571), wk = 0.0020747 k( 355) = ( -0.3343873 0.6656127 0.3571429), wk = 0.0020747 k( 356) = ( -0.3343873 0.6656127 0.3714286), wk = 0.0020747 k( 357) = ( -0.3343873 0.6656127 0.3857143), wk = 0.0020747 k( 358) = ( -0.3343873 0.6656127 0.4000000), wk = 0.0020747 k( 359) = ( -0.3343873 0.6656127 0.4142857), wk = 0.0020747 k( 360) = ( -0.3343873 0.6656127 0.4285714), wk = 0.0020747 k( 361) = ( -0.3343873 0.6656127 0.4428571), wk = 0.0020747 k( 362) = ( -0.3343873 0.6656127 0.4571429), wk = 0.0020747 k( 363) = ( -0.3343873 0.6656127 0.4714286), wk = 0.0020747 k( 364) = ( -0.3343873 0.6656127 0.4857143), wk = 0.0020747 k( 365) = ( -0.3343873 0.6656127 0.5000000), wk = 0.0020747 k( 366) = ( -0.3343873 0.6656127 0.5000000), wk = 0.0020747 k( 367) = ( -0.3400981 0.6599019 0.5000000), wk = 0.0020747 k( 368) = ( -0.3458089 0.6541912 0.5000000), wk = 0.0020747 k( 369) = ( -0.3515196 0.6484804 0.5000000), wk = 0.0020747 k( 370) = ( -0.3572304 0.6427696 0.5000000), wk = 0.0020747 k( 371) = ( -0.3629412 0.6370588 0.5000000), wk = 0.0020747 k( 372) = ( -0.3686520 0.6313480 0.5000000), wk = 0.0020747 k( 373) = ( -0.3743628 0.6256372 0.5000000), wk = 0.0020747 k( 374) = ( -0.3800735 0.6199265 0.5000000), wk = 0.0020747 k( 375) = ( -0.3857843 0.6142157 0.5000000), wk = 0.0020747 k( 376) = ( -0.3914951 0.6085049 0.5000000), wk = 0.0020747 k( 377) = ( -0.3972059 0.6027941 0.5000000), wk = 0.0020747 k( 378) = ( -0.4029167 0.5970833 0.5000000), wk = 0.0020747 k( 379) = ( -0.4086275 0.5913725 0.5000000), wk = 0.0020747 k( 380) = ( -0.4143383 0.5856617 0.5000000), wk = 0.0020747 k( 381) = ( -0.4200490 0.5799510 0.5000000), wk = 0.0020747 k( 382) = ( -0.4257598 0.5742402 0.5000000), wk = 0.0020747 k( 383) = ( -0.4314706 0.5685294 0.5000000), wk = 0.0020747 k( 384) = ( -0.4371814 0.5628186 0.5000000), wk = 0.0020747 k( 385) = ( -0.4428922 0.5571078 0.5000000), wk = 0.0020747 k( 386) = ( -0.4486030 0.5513971 0.5000000), wk = 0.0020747 k( 387) = ( -0.4543137 0.5456863 0.5000000), wk = 0.0020747 k( 388) = ( -0.4600245 0.5399755 0.5000000), wk = 0.0020747 k( 389) = ( -0.4657353 0.5342647 0.5000000), wk = 0.0020747 k( 390) = ( -0.4714461 0.5285539 0.5000000), wk = 0.0020747 k( 391) = ( -0.4771569 0.5228431 0.5000000), wk = 0.0020747 k( 392) = ( -0.4828676 0.5171324 0.5000000), wk = 0.0020747 k( 393) = ( -0.4885784 0.5114216 0.5000000), wk = 0.0020747 k( 394) = ( -0.4942892 0.5057108 0.5000000), wk = 0.0020747 k( 395) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020747 k( 396) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020747 k( 397) = ( -0.5000000 0.5000000 0.4857143), wk = 0.0020747 k( 398) = ( -0.5000000 0.5000000 0.4714286), wk = 0.0020747 k( 399) = ( -0.5000000 0.5000000 0.4571429), wk = 0.0020747 k( 400) = ( -0.5000000 0.5000000 0.4428571), wk = 0.0020747 k( 401) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0020747 k( 402) = ( -0.5000000 0.5000000 0.4142857), wk = 0.0020747 k( 403) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0020747 k( 404) = ( -0.5000000 0.5000000 0.3857143), wk = 0.0020747 k( 405) = ( -0.5000000 0.5000000 0.3714286), wk = 0.0020747 k( 406) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0020747 k( 407) = ( -0.5000000 0.5000000 0.3428571), wk = 0.0020747 k( 408) = ( -0.5000000 0.5000000 0.3285714), wk = 0.0020747 k( 409) = ( -0.5000000 0.5000000 0.3142857), wk = 0.0020747 k( 410) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0020747 k( 411) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0020747 k( 412) = ( -0.5000000 0.5000000 0.2714286), wk = 0.0020747 k( 413) = ( -0.5000000 0.5000000 0.2571429), wk = 0.0020747 k( 414) = ( -0.5000000 0.5000000 0.2428571), wk = 0.0020747 k( 415) = ( -0.5000000 0.5000000 0.2285714), wk = 0.0020747 k( 416) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0020747 k( 417) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0020747 k( 418) = ( -0.5000000 0.5000000 0.1857143), wk = 0.0020747 k( 419) = ( -0.5000000 0.5000000 0.1714286), wk = 0.0020747 k( 420) = ( -0.5000000 0.5000000 0.1571429), wk = 0.0020747 k( 421) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0020747 k( 422) = ( -0.5000000 0.5000000 0.1285714), wk = 0.0020747 k( 423) = ( -0.5000000 0.5000000 0.1142857), wk = 0.0020747 k( 424) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0020747 k( 425) = ( -0.5000000 0.5000000 0.0857143), wk = 0.0020747 k( 426) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0020747 k( 427) = ( -0.5000000 0.5000000 0.0571429), wk = 0.0020747 k( 428) = ( -0.5000000 0.5000000 0.0428571), wk = 0.0020747 k( 429) = ( -0.5000000 0.5000000 0.0285714), wk = 0.0020747 k( 430) = ( -0.5000000 0.5000000 0.0142857), wk = 0.0020747 k( 431) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020747 k( 432) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020747 k( 433) = ( -0.0100000 0.0100000 0.5000000), wk = 0.0020747 k( 434) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0020747 k( 435) = ( -0.0300000 0.0300000 0.5000000), wk = 0.0020747 k( 436) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0020747 k( 437) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0020747 k( 438) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0020747 k( 439) = ( -0.0700000 0.0700000 0.5000000), wk = 0.0020747 k( 440) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0020747 k( 441) = ( -0.0900000 0.0900000 0.5000000), wk = 0.0020747 k( 442) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0020747 k( 443) = ( -0.1100000 0.1100000 0.5000000), wk = 0.0020747 k( 444) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0020747 k( 445) = ( -0.1300000 0.1300000 0.5000000), wk = 0.0020747 k( 446) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0020747 k( 447) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0020747 k( 448) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0020747 k( 449) = ( -0.1700000 0.1700000 0.5000000), wk = 0.0020747 k( 450) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0020747 k( 451) = ( -0.1900000 0.1900000 0.5000000), wk = 0.0020747 k( 452) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0020747 k( 453) = ( -0.2100000 0.2100000 0.5000000), wk = 0.0020747 k( 454) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0020747 k( 455) = ( -0.2300000 0.2300000 0.5000000), wk = 0.0020747 k( 456) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0020747 k( 457) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0020747 k( 458) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0020747 k( 459) = ( -0.2700000 0.2700000 0.5000000), wk = 0.0020747 k( 460) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0020747 k( 461) = ( -0.2900000 0.2900000 0.5000000), wk = 0.0020747 k( 462) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0020747 k( 463) = ( -0.3100000 0.3100000 0.5000000), wk = 0.0020747 k( 464) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0020747 k( 465) = ( -0.3300000 0.3300000 0.5000000), wk = 0.0020747 k( 466) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0020747 k( 467) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0020747 k( 468) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0020747 k( 469) = ( -0.3700000 0.3700000 0.5000000), wk = 0.0020747 k( 470) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0020747 k( 471) = ( -0.3900000 0.3900000 0.5000000), wk = 0.0020747 k( 472) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0020747 k( 473) = ( -0.4100000 0.4100000 0.5000000), wk = 0.0020747 k( 474) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0020747 k( 475) = ( -0.4300000 0.4300000 0.5000000), wk = 0.0020747 k( 476) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0020747 k( 477) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0020747 k( 478) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0020747 k( 479) = ( -0.4700000 0.4700000 0.5000000), wk = 0.0020747 k( 480) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0020747 k( 481) = ( -0.4900000 0.4900000 0.5000000), wk = 0.0020747 k( 482) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020747 Dense grid: 51469 G-vectors FFT dimensions: ( 45, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 358, 28) NL pseudopotentials 0.15 Mb ( 179, 56) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1435) G-vector shells 0.01 Mb ( 733) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 358, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.05 Mb ( 56, 2, 28) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NaLi2N.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 3.0 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.3 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.6 secs Computing kpt #: 15 total cpu time spent up to now is 3.8 secs 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6.6 secs Computing kpt #: 32 total cpu time spent up to now is 6.8 secs Computing kpt #: 33 total cpu time spent up to now is 7.0 secs Computing kpt #: 34 total cpu time spent up to now is 7.1 secs Computing kpt #: 35 total cpu time spent up to now is 7.3 secs Computing kpt #: 36 total cpu time spent up to now is 7.5 secs Computing kpt #: 37 total cpu time spent up to now is 7.6 secs Computing kpt #: 38 total cpu time spent up to now is 7.8 secs Computing kpt #: 39 total cpu time spent up to now is 8.0 secs Computing kpt #: 40 total cpu time spent up to now is 8.1 secs Computing kpt #: 41 total cpu time spent up to now is 8.3 secs Computing kpt #: 42 total cpu time spent up to now is 8.5 secs Computing kpt #: 43 total cpu time spent up to now is 8.6 secs Computing kpt #: 44 total cpu time spent up to now is 8.8 secs Computing kpt #: 45 total cpu time spent up to now is 9.0 secs Computing kpt #: 46 total cpu time spent up to now is 9.2 secs Computing kpt #: 47 total cpu time spent up to 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cpu time spent up to now is 12.2 secs Computing kpt #: 64 total cpu time spent up to now is 12.4 secs Computing kpt #: 65 total cpu time spent up to now is 12.6 secs Computing kpt #: 66 total cpu time spent up to now is 12.8 secs Computing kpt #: 67 total cpu time spent up to now is 12.9 secs Computing kpt #: 68 total cpu time spent up to now is 13.1 secs Computing kpt #: 69 total cpu time spent up to now is 13.3 secs Computing kpt #: 70 total cpu time spent up to now is 13.5 secs Computing kpt #: 71 total cpu time spent up to now is 13.6 secs Computing kpt #: 72 total cpu time spent up to now is 13.8 secs Computing kpt #: 73 total cpu time spent up to now is 14.0 secs Computing kpt #: 74 total cpu time spent up to now is 14.2 secs Computing kpt #: 75 total cpu time spent up to now is 14.3 secs Computing kpt #: 76 total cpu time spent up to now is 14.5 secs Computing kpt #: 77 total cpu time spent up to now is 14.7 secs Computing kpt #: 78 total cpu time spent up to now is 14.9 secs 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to now is 67.7 secs Computing kpt #: 371 total cpu time spent up to now is 67.8 secs Computing kpt #: 372 total cpu time spent up to now is 68.0 secs Computing kpt #: 373 total cpu time spent up to now is 68.2 secs Computing kpt #: 374 total cpu time spent up to now is 68.4 secs Computing kpt #: 375 total cpu time spent up to now is 68.6 secs Computing kpt #: 376 total cpu time spent up to now is 68.8 secs Computing kpt #: 377 total cpu time spent up to now is 69.0 secs Computing kpt #: 378 total cpu time spent up to now is 69.1 secs Computing kpt #: 379 total cpu time spent up to now is 69.3 secs Computing kpt #: 380 total cpu time spent up to now is 69.5 secs Computing kpt #: 381 total cpu time spent up to now is 69.7 secs Computing kpt #: 382 total cpu time spent up to now is 69.9 secs Computing kpt #: 383 total cpu time spent up to now is 70.1 secs Computing kpt #: 384 total cpu time spent up to now is 70.3 secs Computing kpt #: 385 total cpu time spent up to now is 70.5 secs Computing kpt #: 386 total cpu time spent up to now is 70.7 secs Computing kpt #: 387 total cpu time spent up to now is 71.0 secs Computing kpt #: 388 total cpu time spent up to now is 71.2 secs Computing kpt #: 389 total cpu time spent up to now is 71.4 secs Computing kpt #: 390 total cpu time spent up to now is 71.6 secs Computing kpt #: 391 total cpu time spent up to now is 71.8 secs Computing kpt #: 392 total cpu time spent up to now is 72.0 secs Computing kpt #: 393 total cpu time spent up to now is 72.2 secs Computing kpt #: 394 total cpu time spent up to now is 72.5 secs Computing kpt #: 395 total cpu time spent up to now is 72.7 secs Computing kpt #: 396 total cpu time spent up to now is 72.9 secs Computing kpt #: 397 total cpu time spent up to now is 73.1 secs Computing kpt #: 398 total cpu time spent up to now is 73.3 secs Computing kpt #: 399 total cpu time spent up to now is 73.5 secs Computing kpt #: 400 total cpu time spent up to now is 73.7 secs Computing kpt #: 401 total cpu time spent up to now is 73.9 secs Computing kpt #: 402 total cpu time spent up to now is 74.1 secs Computing kpt #: 403 total cpu time spent up to now is 74.3 secs Computing kpt #: 404 total cpu time spent up to now is 74.4 secs Computing kpt #: 405 total cpu time spent up to now is 74.6 secs Computing kpt #: 406 total cpu time spent up to now is 74.8 secs Computing kpt #: 407 total cpu time spent up to now is 75.0 secs Computing kpt #: 408 total cpu time spent up to now is 75.1 secs Computing kpt #: 409 total cpu time spent up to now is 75.3 secs Computing kpt #: 410 total cpu time spent up to now is 75.5 secs Computing kpt #: 411 total cpu time spent up to now is 75.7 secs Computing kpt #: 412 total cpu time spent up to now is 75.9 secs Computing kpt #: 413 total cpu time spent up to now is 76.0 secs Computing kpt #: 414 total cpu time spent up to now is 76.2 secs Computing kpt #: 415 total cpu time spent up to now is 76.4 secs Computing kpt #: 416 total cpu time spent up to now is 76.6 secs Computing kpt #: 417 total cpu time spent up to now is 76.8 secs Computing kpt #: 418 total cpu time spent up to now is 76.9 secs Computing kpt #: 419 total cpu time spent up to now is 77.1 secs Computing kpt #: 420 total cpu time spent up to now is 77.3 secs Computing kpt #: 421 total cpu time spent up to now is 77.4 secs Computing kpt #: 422 total cpu time spent up to now is 77.6 secs Computing kpt #: 423 total cpu time spent up to now is 77.8 secs Computing kpt #: 424 total cpu time spent up to now is 77.9 secs Computing kpt #: 425 total cpu time spent up to now is 78.1 secs Computing kpt #: 426 total cpu time spent up to now is 78.3 secs Computing kpt #: 427 total cpu time spent up to now is 78.5 secs Computing kpt #: 428 total cpu time spent up to now is 78.6 secs Computing kpt #: 429 total cpu time spent up to now is 78.8 secs Computing kpt #: 430 total cpu time spent up to now is 79.0 secs Computing kpt #: 431 total cpu time spent up to now is 79.1 secs Computing kpt #: 432 total cpu time spent up to now is 79.3 secs Computing kpt #: 433 total cpu time spent up to now is 79.5 secs Computing kpt #: 434 total cpu time spent up to now is 79.6 secs Computing kpt #: 435 total cpu time spent up to now is 79.8 secs Computing kpt #: 436 total cpu time spent up to now is 80.0 secs Computing kpt #: 437 total cpu time spent up to now is 80.1 secs Computing kpt #: 438 total cpu time spent up to now is 80.3 secs Computing kpt #: 439 total cpu time spent up to now is 80.5 secs Computing kpt #: 440 total cpu time spent up to now is 80.6 secs Computing kpt #: 441 total cpu time spent up to now is 80.8 secs Computing kpt #: 442 total cpu time spent up to now is 81.0 secs Computing kpt #: 443 total cpu time spent up to now is 81.1 secs Computing kpt #: 444 total cpu time spent up to now is 81.3 secs Computing kpt #: 445 total cpu time spent up to now is 81.5 secs Computing kpt #: 446 total cpu time spent up to now is 81.6 secs Computing kpt #: 447 total cpu time spent up to now is 81.8 secs Computing kpt #: 448 total cpu time spent up to now is 82.0 secs Computing kpt #: 449 total cpu time spent up to now is 82.1 secs Computing kpt #: 450 total cpu time spent up to now is 82.3 secs Computing kpt #: 451 total cpu time spent up to now is 82.4 secs Computing kpt #: 452 total cpu time spent up to now is 82.6 secs Computing kpt #: 453 total cpu time spent up to now is 82.8 secs Computing kpt #: 454 total cpu time spent up to now is 82.9 secs Computing kpt #: 455 total cpu time spent up to now is 83.1 secs Computing kpt #: 456 total cpu time spent up to now is 83.3 secs Computing kpt #: 457 total cpu time spent up to now is 83.4 secs Computing kpt #: 458 total cpu time spent up to now is 83.6 secs Computing kpt #: 459 total cpu time spent up to now is 83.8 secs Computing kpt #: 460 total cpu time spent up to now is 83.9 secs Computing kpt #: 461 total cpu time spent up to now is 84.1 secs Computing kpt #: 462 total cpu time spent up to now is 84.3 secs Computing kpt #: 463 total cpu time spent up to now is 84.5 secs Computing kpt #: 464 total cpu time spent up to now is 84.6 secs Computing kpt #: 465 total cpu time spent up to now is 84.8 secs Computing kpt #: 466 total cpu time spent up to now is 85.0 secs Computing kpt #: 467 total cpu time spent up to now is 85.1 secs Computing kpt #: 468 total cpu time spent up to now is 85.3 secs Computing kpt #: 469 total cpu time spent up to now is 85.5 secs Computing kpt #: 470 total cpu time spent up to now is 85.7 secs Computing kpt #: 471 total cpu time spent up to now is 85.8 secs Computing kpt #: 472 total cpu time spent up to now is 86.0 secs Computing kpt #: 473 total cpu time spent up to now is 86.2 secs Computing kpt #: 474 total cpu time spent up to now is 86.4 secs Computing kpt #: 475 total cpu time spent up to now is 86.6 secs Computing kpt #: 476 total cpu time spent up to now is 86.8 secs Computing kpt #: 477 total cpu time spent up to now is 86.9 secs Computing kpt #: 478 total cpu time spent up to now is 87.1 secs Computing kpt #: 479 total cpu time spent up to now is 87.3 secs Computing kpt #: 480 total cpu time spent up to now is 87.5 secs Computing kpt #: 481 total cpu time spent up to now is 87.7 secs Computing kpt #: 482 total cpu time spent up to now is 87.9 secs ethr = 5.00E-08, avg # of iterations = 11.0 total cpu time spent up to now is 87.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6413 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0554 -22.0554 -8.5192 -8.5192 1.2637 1.2637 1.9043 1.9043 3.8005 3.8005 3.8189 3.8189 6.5903 6.5903 6.6062 6.6062 7.4629 7.4629 k = 0.0059 0.0101-0.0000 ( 6421 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6808 -22.6808 -22.5526 -22.5526 -22.0554 -22.0554 -8.5189 -8.5189 1.2645 1.2645 1.9039 1.9039 3.7997 3.7997 3.8181 3.8181 6.5891 6.5891 6.6059 6.6059 7.4622 7.4622 k = 0.0117 0.0202-0.0000 ( 6425 PWs) bands (ev): -50.4341 -50.4341 -45.6616 -45.6616 -45.3740 -45.3740 -22.6808 -22.6808 -22.5527 -22.5527 -22.0554 -22.0554 -8.5180 -8.5180 1.2670 1.2670 1.9026 1.9026 3.7972 3.7972 3.8156 3.8156 6.5856 6.5856 6.6049 6.6049 7.4601 7.4601 k = 0.0176 0.0303-0.0000 ( 6421 PWs) bands (ev): -50.4340 -50.4340 -45.6614 -45.6614 -45.3743 -45.3743 -22.6809 -22.6809 -22.5527 -22.5527 -22.0554 -22.0554 -8.5164 -8.5164 1.2711 1.2711 1.9005 1.9005 3.7931 3.7931 3.8115 3.8115 6.5797 6.5797 6.6032 6.6032 7.4566 7.4566 k = 0.0235 0.0404-0.0000 ( 6421 PWs) bands (ev): -50.4339 -50.4339 -45.6611 -45.6611 -45.3748 -45.3748 -22.6809 -22.6809 -22.5528 -22.5528 -22.0553 -22.0553 -8.5143 -8.5143 1.2769 1.2769 1.8976 1.8976 3.7874 3.7874 3.8057 3.8057 6.5716 6.5716 6.6008 6.6008 7.4518 7.4518 k = 0.0293 0.0505-0.0000 ( 6421 PWs) bands (ev): -50.4338 -50.4338 -45.6607 -45.6607 -45.3754 -45.3754 -22.6810 -22.6810 -22.5529 -22.5529 -22.0553 -22.0553 -8.5116 -8.5116 1.2843 1.2843 1.8937 1.8937 3.7801 3.7801 3.7982 3.7982 6.5614 6.5614 6.5977 6.5977 7.4456 7.4456 k = 0.0352 0.0606-0.0000 ( 6441 PWs) bands (ev): -50.4336 -50.4336 -45.6602 -45.6602 -45.3762 -45.3762 -22.6811 -22.6811 -22.5530 -22.5530 -22.0552 -22.0552 -8.5082 -8.5082 1.2934 1.2934 1.8890 1.8890 3.7715 3.7715 3.7891 3.7891 6.5492 6.5492 6.5939 6.5939 7.4380 7.4380 k = 0.0411 0.0707-0.0000 ( 6443 PWs) bands (ev): -50.4334 -50.4334 -45.6596 -45.6596 -45.3770 -45.3770 -22.6813 -22.6813 -22.5532 -22.5532 -22.0551 -22.0551 -8.5043 -8.5043 1.3040 1.3040 1.8835 1.8835 3.7615 3.7615 3.7784 3.7784 6.5351 6.5351 6.5894 6.5894 7.4291 7.4291 k = 0.0469 0.0808-0.0000 ( 6445 PWs) bands (ev): -50.4332 -50.4332 -45.6589 -45.6589 -45.3780 -45.3780 -22.6814 -22.6814 -22.5533 -22.5533 -22.0550 -22.0550 -8.4999 -8.4999 1.3162 1.3162 1.8771 1.8771 3.7503 3.7503 3.7662 3.7662 6.5194 6.5194 6.5841 6.5841 7.4190 7.4190 k = 0.0528 0.0909-0.0000 ( 6449 PWs) bands (ev): -50.4330 -50.4330 -45.6581 -45.6581 -45.3792 -45.3792 -22.6816 -22.6816 -22.5535 -22.5535 -22.0549 -22.0549 -8.4949 -8.4949 1.3300 1.3300 1.8698 1.8698 3.7380 3.7380 3.7524 3.7524 6.5022 6.5022 6.5781 6.5781 7.4076 7.4076 k = 0.0587 0.1010-0.0000 ( 6453 PWs) bands (ev): -50.4328 -50.4328 -45.6572 -45.6572 -45.3805 -45.3805 -22.6818 -22.6818 -22.5537 -22.5537 -22.0548 -22.0548 -8.4893 -8.4893 1.3454 1.3454 1.8616 1.8616 3.7244 3.7244 3.7373 3.7373 6.4837 6.4837 6.5713 6.5713 7.3950 7.3950 k = 0.0645 0.1111-0.0000 ( 6445 PWs) bands (ev): -50.4325 -50.4325 -45.6563 -45.6563 -45.3819 -45.3819 -22.6820 -22.6820 -22.5540 -22.5540 -22.0547 -22.0547 -8.4833 -8.4833 1.3622 1.3622 1.8526 1.8526 3.7094 3.7094 3.7213 3.7213 6.4640 6.4640 6.5636 6.5636 7.3813 7.3813 k = 0.0704 0.1212-0.0000 ( 6447 PWs) bands (ev): -50.4322 -50.4322 -45.6552 -45.6552 -45.3834 -45.3834 -22.6822 -22.6822 -22.5542 -22.5542 -22.0545 -22.0545 -8.4767 -8.4767 1.3805 1.3805 1.8428 1.8428 3.6925 3.6925 3.7051 3.7051 6.4435 6.4435 6.5552 6.5552 7.3664 7.3664 k = 0.0763 0.1313-0.0000 ( 6445 PWs) bands (ev): -50.4319 -50.4319 -45.6541 -45.6541 -45.3850 -45.3850 -22.6825 -22.6825 -22.5544 -22.5544 -22.0544 -22.0544 -8.4697 -8.4697 1.4003 1.4003 1.8321 1.8321 3.6732 3.6732 3.6893 3.6893 6.4222 6.4222 6.5459 6.5459 7.3506 7.3506 k = 0.0821 0.1414-0.0000 ( 6429 PWs) bands (ev): -50.4316 -50.4316 -45.6528 -45.6528 -45.3868 -45.3868 -22.6827 -22.6827 -22.5547 -22.5547 -22.0542 -22.0542 -8.4622 -8.4622 1.4215 1.4215 1.8207 1.8207 3.6516 3.6516 3.6740 3.6740 6.4005 6.4005 6.5358 6.5358 7.3338 7.3338 k = 0.0880 0.1515-0.0000 ( 6425 PWs) bands (ev): -50.4312 -50.4312 -45.6515 -45.6515 -45.3887 -45.3887 -22.6830 -22.6830 -22.5550 -22.5550 -22.0541 -22.0541 -8.4543 -8.4543 1.4440 1.4440 1.8084 1.8084 3.6279 3.6279 3.6591 3.6591 6.3783 6.3783 6.5249 6.5249 7.3162 7.3162 k = 0.0939 0.1616-0.0000 ( 6421 PWs) bands (ev): -50.4308 -50.4308 -45.6501 -45.6501 -45.3907 -45.3907 -22.6833 -22.6833 -22.5553 -22.5553 -22.0539 -22.0539 -8.4460 -8.4460 1.4679 1.4679 1.7955 1.7955 3.6023 3.6023 3.6446 3.6446 6.3560 6.3560 6.5131 6.5131 7.2977 7.2977 k = 0.0997 0.1717-0.0000 ( 6425 PWs) bands (ev): -50.4305 -50.4305 -45.6485 -45.6485 -45.3928 -45.3928 -22.6835 -22.6835 -22.5556 -22.5556 -22.0537 -22.0537 -8.4374 -8.4374 1.4930 1.4930 1.7818 1.7818 3.5751 3.5751 3.6305 3.6305 6.3336 6.3336 6.5005 6.5005 7.2786 7.2786 k = 0.1056 0.1818-0.0000 ( 6427 PWs) bands (ev): -50.4301 -50.4301 -45.6469 -45.6469 -45.3951 -45.3951 -22.6838 -22.6838 -22.5559 -22.5559 -22.0536 -22.0536 -8.4284 -8.4284 1.5193 1.5193 1.7676 1.7676 3.5461 3.5461 3.6169 3.6169 6.3114 6.3114 6.4870 6.4870 7.2589 7.2589 k = 0.1115 0.1918-0.0000 ( 6433 PWs) bands (ev): -50.4297 -50.4297 -45.6453 -45.6453 -45.3974 -45.3974 -22.6841 -22.6841 -22.5562 -22.5562 -22.0534 -22.0534 -8.4191 -8.4191 1.5467 1.5467 1.7528 1.7528 3.5156 3.5156 3.6039 3.6039 6.2893 6.2893 6.4727 6.4727 7.2387 7.2387 k = 0.1173 0.2019-0.0000 ( 6437 PWs) bands (ev): -50.4292 -50.4292 -45.6435 -45.6435 -45.3999 -45.3999 -22.6845 -22.6845 -22.5566 -22.5566 -22.0532 -22.0532 -8.4095 -8.4095 1.5753 1.5753 1.7376 1.7376 3.4836 3.4836 3.5916 3.5916 6.2676 6.2676 6.4577 6.4577 7.2182 7.2182 k = 0.1232 0.2120-0.0000 ( 6441 PWs) bands (ev): -50.4288 -50.4288 -45.6416 -45.6416 -45.4024 -45.4024 -22.6848 -22.6848 -22.5569 -22.5569 -22.0530 -22.0530 -8.3997 -8.3997 1.6048 1.6048 1.7221 1.7221 3.4501 3.4501 3.5801 3.5801 6.2463 6.2463 6.4418 6.4418 7.1976 7.1976 k = 0.1291 0.2221-0.0000 ( 6435 PWs) bands (ev): -50.4284 -50.4284 -45.6397 -45.6397 -45.4050 -45.4050 -22.6851 -22.6851 -22.5572 -22.5572 -22.0528 -22.0528 -8.3897 -8.3897 1.6353 1.6353 1.7063 1.7063 3.4152 3.4152 3.5694 3.5694 6.2256 6.2256 6.4252 6.4252 7.1768 7.1768 k = 0.1349 0.2322-0.0000 ( 6433 PWs) bands (ev): -50.4279 -50.4279 -45.6376 -45.6376 -45.4078 -45.4078 -22.6854 -22.6854 -22.5576 -22.5576 -22.0526 -22.0526 -8.3795 -8.3795 1.6666 1.6666 1.6904 1.6904 3.3789 3.3789 3.5596 3.5596 6.2054 6.2054 6.4079 6.4079 7.1562 7.1562 k = 0.1408 0.2423-0.0000 ( 6431 PWs) bands (ev): -50.4275 -50.4275 -45.6355 -45.6355 -45.4106 -45.4106 -22.6858 -22.6858 -22.5579 -22.5579 -22.0524 -22.0524 -8.3692 -8.3692 1.6744 1.6744 1.6987 1.6987 3.3413 3.3413 3.5507 3.5507 6.1859 6.1859 6.3899 6.3899 7.1358 7.1358 k = 0.1467 0.2524-0.0000 ( 6425 PWs) bands (ev): -50.4271 -50.4271 -45.6333 -45.6333 -45.4135 -45.4135 -22.6861 -22.6861 -22.5583 -22.5583 -22.0522 -22.0522 -8.3588 -8.3588 1.6586 1.6586 1.7315 1.7315 3.3025 3.3025 3.5428 3.5428 6.1670 6.1670 6.3713 6.3713 7.1158 7.1158 k = 0.1525 0.2625-0.0000 ( 6423 PWs) bands (ev): -50.4266 -50.4266 -45.6310 -45.6310 -45.4165 -45.4165 -22.6864 -22.6864 -22.5586 -22.5586 -22.0520 -22.0520 -8.3484 -8.3484 1.6430 1.6430 1.7648 1.7648 3.2625 3.2625 3.5359 3.5359 6.1488 6.1488 6.3521 6.3521 7.0964 7.0964 k = 0.1584 0.2726-0.0000 ( 6423 PWs) bands (ev): -50.4262 -50.4262 -45.6286 -45.6286 -45.4196 -45.4196 -22.6868 -22.6868 -22.5590 -22.5590 -22.0518 -22.0518 -8.3379 -8.3379 1.6279 1.6279 1.7985 1.7985 3.2215 3.2215 3.5299 3.5299 6.1314 6.1314 6.3324 6.3324 7.0779 7.0779 k = 0.1643 0.2827-0.0000 ( 6433 PWs) bands (ev): -50.4257 -50.4257 -45.6262 -45.6262 -45.4228 -45.4228 -22.6871 -22.6871 -22.5593 -22.5593 -22.0516 -22.0516 -8.3274 -8.3274 1.6132 1.6132 1.8326 1.8326 3.1795 3.1795 3.5249 3.5249 6.1147 6.1147 6.3121 6.3121 7.0603 7.0603 k = 0.1701 0.2928-0.0000 ( 6433 PWs) bands (ev): -50.4253 -50.4253 -45.6236 -45.6236 -45.4260 -45.4260 -22.6874 -22.6874 -22.5597 -22.5597 -22.0514 -22.0514 -8.3170 -8.3170 1.5992 1.5992 1.8670 1.8670 3.1365 3.1365 3.5209 3.5209 6.0988 6.0988 6.2915 6.2915 7.0439 7.0439 k = 0.1760 0.3029-0.0000 ( 6429 PWs) bands (ev): -50.4249 -50.4249 -45.6210 -45.6210 -45.4293 -45.4293 -22.6878 -22.6878 -22.5600 -22.5600 -22.0512 -22.0512 -8.3066 -8.3066 1.5861 1.5861 1.9015 1.9015 3.0927 3.0927 3.5178 3.5178 6.0835 6.0835 6.2706 6.2706 7.0289 7.0289 k = 0.1819 0.3130-0.0000 ( 6433 PWs) bands (ev): -50.4244 -50.4244 -45.6184 -45.6184 -45.4327 -45.4327 -22.6881 -22.6881 -22.5603 -22.5603 -22.0510 -22.0510 -8.2964 -8.2964 1.5739 1.5739 1.9359 1.9359 3.0481 3.0481 3.5157 3.5157 6.0691 6.0691 6.2493 6.2493 7.0155 7.0155 k = 0.1877 0.3231-0.0000 ( 6433 PWs) bands (ev): -50.4240 -50.4240 -45.6156 -45.6156 -45.4361 -45.4361 -22.6884 -22.6884 -22.5607 -22.5607 -22.0508 -22.0508 -8.2863 -8.2863 1.5627 1.5627 1.9702 1.9702 3.0029 3.0029 3.5144 3.5144 6.0553 6.0553 6.2279 6.2279 7.0039 7.0039 k = 0.1936 0.3332-0.0000 ( 6429 PWs) bands (ev): -50.4236 -50.4236 -45.6128 -45.6128 -45.4396 -45.4396 -22.6887 -22.6887 -22.5610 -22.5610 -22.0506 -22.0506 -8.2765 -8.2765 1.5528 1.5528 2.0043 2.0043 2.9571 2.9571 3.5139 3.5139 6.0422 6.0422 6.2063 6.2063 6.9944 6.9944 k = 0.1995 0.3433-0.0000 ( 6425 PWs) bands (ev): -50.4232 -50.4232 -45.6099 -45.6099 -45.4431 -45.4431 -22.6890 -22.6890 -22.5613 -22.5613 -22.0504 -22.0504 -8.2668 -8.2668 1.5442 1.5442 2.0379 2.0379 2.9108 2.9108 3.5142 3.5142 6.0298 6.0298 6.1847 6.1847 6.9872 6.9872 k = 0.2053 0.3534-0.0000 ( 6419 PWs) bands (ev): -50.4228 -50.4228 -45.6070 -45.6070 -45.4466 -45.4466 -22.6893 -22.6893 -22.5616 -22.5616 -22.0502 -22.0502 -8.2574 -8.2574 1.5371 1.5371 2.0710 2.0710 2.8640 2.8640 3.5153 3.5153 6.0181 6.0181 6.1631 6.1631 6.9824 6.9824 k = 0.2112 0.3635-0.0000 ( 6415 PWs) bands (ev): -50.4225 -50.4225 -45.6040 -45.6040 -45.4502 -45.4502 -22.6895 -22.6895 -22.5619 -22.5619 -22.0500 -22.0500 -8.2483 -8.2483 1.5316 1.5316 2.1033 2.1033 2.8169 2.8169 3.5170 3.5170 6.0070 6.0070 6.1416 6.1416 6.9803 6.9803 k = 0.2171 0.3736-0.0000 ( 6427 PWs) bands (ev): -50.4221 -50.4221 -45.6009 -45.6009 -45.4539 -45.4539 -22.6898 -22.6898 -22.5622 -22.5622 -22.0499 -22.0499 -8.2395 -8.2395 1.5277 1.5277 2.1349 2.1349 2.7696 2.7696 3.5193 3.5193 5.9965 5.9965 6.1203 6.1203 6.9812 6.9812 k = 0.2229 0.3837-0.0000 ( 6427 PWs) bands (ev): -50.4218 -50.4218 -45.5978 -45.5978 -45.4576 -45.4576 -22.6901 -22.6901 -22.5624 -22.5624 -22.0497 -22.0497 -8.2311 -8.2311 1.5256 1.5256 2.1655 2.1655 2.7220 2.7220 3.5222 3.5222 5.9866 5.9866 6.0993 6.0993 6.9851 6.9851 k = 0.2288 0.3938-0.0000 ( 6427 PWs) bands (ev): -50.4214 -50.4214 -45.5946 -45.5946 -45.4613 -45.4613 -22.6903 -22.6903 -22.5627 -22.5627 -22.0496 -22.0496 -8.2230 -8.2230 1.5254 1.5254 2.1950 2.1950 2.6744 2.6744 3.5257 3.5257 5.9772 5.9772 6.0786 6.0786 6.9925 6.9925 k = 0.2347 0.4039-0.0000 ( 6425 PWs) bands (ev): -50.4211 -50.4211 -45.5914 -45.5914 -45.4650 -45.4650 -22.6905 -22.6905 -22.5629 -22.5629 -22.0494 -22.0494 -8.2153 -8.2153 1.5271 1.5271 2.2232 2.2232 2.6267 2.6267 3.5295 3.5295 5.9684 5.9684 6.0584 6.0584 7.0033 7.0033 k = 0.2405 0.4140-0.0000 ( 6423 PWs) bands (ev): -50.4208 -50.4208 -45.5881 -45.5881 -45.4687 -45.4687 -22.6907 -22.6907 -22.5632 -22.5632 -22.0493 -22.0493 -8.2080 -8.2080 1.5309 1.5309 2.2502 2.2502 2.5791 2.5791 3.5337 3.5337 5.9600 5.9600 6.0388 6.0388 7.0179 7.0179 k = 0.2464 0.4241-0.0000 ( 6419 PWs) bands (ev): -50.4206 -50.4206 -45.5848 -45.5848 -45.4725 -45.4725 -22.6909 -22.6909 -22.5634 -22.5634 -22.0492 -22.0492 -8.2011 -8.2011 1.5367 1.5367 2.2756 2.2756 2.5316 2.5316 3.5382 3.5382 5.9522 5.9522 6.0198 6.0198 7.0363 7.0363 k = 0.2523 0.4342-0.0000 ( 6431 PWs) bands (ev): -50.4203 -50.4203 -45.5815 -45.5815 -45.4762 -45.4762 -22.6911 -22.6911 -22.5636 -22.5636 -22.0490 -22.0490 -8.1946 -8.1946 1.5447 1.5447 2.2996 2.2996 2.4843 2.4843 3.5430 3.5430 5.9447 5.9447 6.0016 6.0016 7.0588 7.0588 k = 0.2581 0.4443-0.0000 ( 6435 PWs) bands (ev): -50.4201 -50.4201 -45.5781 -45.5781 -45.4799 -45.4799 -22.6913 -22.6913 -22.5638 -22.5638 -22.0489 -22.0489 -8.1886 -8.1886 1.5548 1.5548 2.3219 2.3219 2.4372 2.4372 3.5479 3.5479 5.9377 5.9377 5.9843 5.9843 7.0854 7.0854 k = 0.2640 0.4544-0.0000 ( 6435 PWs) bands (ev): -50.4199 -50.4199 -45.5747 -45.5747 -45.4837 -45.4837 -22.6915 -22.6915 -22.5640 -22.5640 -22.0488 -22.0488 -8.1831 -8.1831 1.5672 1.5672 2.3425 2.3425 2.3905 2.3905 3.5529 3.5529 5.9311 5.9311 5.9679 5.9679 7.1164 7.1164 k = 0.2699 0.4645-0.0000 ( 6439 PWs) bands (ev): -50.4197 -50.4197 -45.5713 -45.5713 -45.4874 -45.4874 -22.6916 -22.6916 -22.5641 -22.5641 -22.0487 -22.0487 -8.1780 -8.1780 1.5818 1.5818 2.3438 2.3438 2.3618 2.3618 3.5580 3.5580 5.9247 5.9247 5.9526 5.9526 7.1517 7.1517 k = 0.2757 0.4746-0.0000 ( 6441 PWs) bands (ev): -50.4195 -50.4195 -45.5679 -45.5679 -45.4911 -45.4911 -22.6918 -22.6918 -22.5643 -22.5643 -22.0486 -22.0486 -8.1734 -8.1734 1.5986 1.5986 2.2980 2.2980 2.3786 2.3786 3.5630 3.5630 5.9185 5.9185 5.9387 5.9387 7.1914 7.1914 k = 0.2816 0.4847-0.0000 ( 6449 PWs) bands (ev): -50.4193 -50.4193 -45.5645 -45.5645 -45.4948 -45.4948 -22.6919 -22.6919 -22.5644 -22.5644 -22.0486 -22.0486 -8.1693 -8.1693 1.6176 1.6176 2.2526 2.2526 2.3939 2.3939 3.5679 3.5679 5.9121 5.9121 5.9265 5.9265 7.2357 7.2357 k = 0.2875 0.4948-0.0000 ( 6445 PWs) bands (ev): -50.4192 -50.4192 -45.5611 -45.5611 -45.4985 -45.4985 -22.6920 -22.6920 -22.5646 -22.5646 -22.0485 -22.0485 -8.1656 -8.1656 1.6389 1.6389 2.2078 2.2078 2.4074 2.4074 3.5725 3.5725 5.9050 5.9050 5.9167 5.9167 7.2845 7.2845 k = 0.2933 0.5049-0.0000 ( 6449 PWs) bands (ev): -50.4191 -50.4191 -45.5576 -45.5576 -45.5021 -45.5021 -22.6921 -22.6921 -22.5647 -22.5647 -22.0484 -22.0484 -8.1624 -8.1624 1.6624 1.6624 2.1635 2.1635 2.4191 2.4191 3.5769 3.5769 5.8970 5.8970 5.9094 5.9094 7.3378 7.3378 k = 0.2992 0.5150-0.0000 ( 6453 PWs) bands (ev): -50.4189 -50.4189 -45.5542 -45.5542 -45.5057 -45.5057 -22.6922 -22.6922 -22.5648 -22.5648 -22.0484 -22.0484 -8.1597 -8.1597 1.6880 1.6880 2.1200 2.1200 2.4291 2.4291 3.5810 3.5810 5.8890 5.8890 5.9040 5.9040 7.3956 7.3956 k = 0.3051 0.5251-0.0000 ( 6461 PWs) bands (ev): -50.4189 -50.4189 -45.5508 -45.5508 -45.5093 -45.5093 -22.6923 -22.6923 -22.5649 -22.5649 -22.0483 -22.0483 -8.1574 -8.1574 1.7158 1.7158 2.0771 2.0771 2.4373 2.4373 3.5846 3.5846 5.8819 5.8819 5.8995 5.8995 7.4579 7.4579 k = 0.3109 0.5352-0.0000 ( 6463 PWs) bands (ev): -50.4188 -50.4188 -45.5474 -45.5474 -45.5128 -45.5128 -22.6924 -22.6924 -22.5649 -22.5649 -22.0483 -22.0483 -8.1555 -8.1555 1.7457 1.7457 2.0350 2.0350 2.4439 2.4439 3.5878 3.5878 5.8761 5.8761 5.8955 5.8955 7.5245 7.5245 k = 0.3168 0.5453-0.0000 ( 6467 PWs) bands (ev): -50.4187 -50.4187 -45.5440 -45.5440 -45.5163 -45.5163 -22.6924 -22.6924 -22.5650 -22.5650 -22.0483 -22.0483 -8.1540 -8.1540 1.7776 1.7776 1.9938 1.9938 2.4489 2.4489 3.5904 3.5904 5.8718 5.8718 5.8921 5.8921 7.5955 7.5955 k = 0.3227 0.5554-0.0000 ( 6469 PWs) bands (ev): -50.4187 -50.4187 -45.5407 -45.5407 -45.5197 -45.5197 -22.6925 -22.6925 -22.5651 -22.5651 -22.0483 -22.0483 -8.1530 -8.1530 1.8114 1.8114 1.9534 1.9534 2.4524 2.4524 3.5923 3.5923 5.8691 5.8691 5.8890 5.8890 7.6707 7.6707 k = 0.3285 0.5655-0.0000 ( 6469 PWs) bands (ev): -50.4187 -50.4187 -45.5373 -45.5373 -45.5230 -45.5230 -22.6925 -22.6925 -22.5651 -22.5651 -22.0482 -22.0482 -8.1523 -8.1523 1.8469 1.8469 1.9140 1.9140 2.4544 2.4544 3.5936 3.5936 5.8680 5.8680 5.8864 5.8864 7.7500 7.7500 k = 0.3344 0.5755-0.0000 ( 6467 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0482 -22.0482 -8.1520 -8.1520 1.8734 1.8734 1.8865 1.8865 2.4552 2.4552 3.5941 3.5941 5.8684 5.8684 5.8843 5.8843 7.8331 7.8331 k = 0.3344 0.5755-0.0000 ( 6467 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0482 -22.0482 -8.1520 -8.1520 1.8734 1.8734 1.8865 1.8865 2.4552 2.4552 3.5941 3.5941 5.8684 5.8684 5.8843 5.8843 7.8331 7.8331 k = 0.3229 0.5755-0.0000 ( 6464 PWs) bands (ev): -50.4187 -50.4187 -45.5364 -45.5364 -45.5240 -45.5240 -22.6925 -22.6925 -22.5651 -22.5651 -22.0482 -22.0482 -8.1523 -8.1523 1.8445 1.8445 1.9166 1.9166 2.4545 2.4545 3.5937 3.5937 5.8679 5.8679 5.8862 5.8862 7.7548 7.7548 k = 0.3113 0.5755-0.0000 ( 6458 PWs) bands (ev): -50.4187 -50.4187 -45.5393 -45.5393 -45.5211 -45.5211 -22.6925 -22.6925 -22.5651 -22.5651 -22.0483 -22.0483 -8.1528 -8.1528 1.8083 1.8083 1.9565 1.9565 2.4528 2.4528 3.5924 3.5924 5.8671 5.8671 5.8904 5.8904 7.6750 7.6750 k = 0.2998 0.5755-0.0000 ( 6460 PWs) bands (ev): -50.4187 -50.4187 -45.5423 -45.5423 -45.5180 -45.5180 -22.6925 -22.6925 -22.5650 -22.5650 -22.0483 -22.0483 -8.1536 -8.1536 1.7730 1.7730 1.9979 1.9979 2.4500 2.4500 3.5902 3.5902 5.8662 5.8662 5.8968 5.8968 7.5980 7.5980 k = 0.2883 0.5755-0.0000 ( 6451 PWs) bands (ev): -50.4188 -50.4188 -45.5452 -45.5452 -45.5150 -45.5150 -22.6924 -22.6924 -22.5650 -22.5650 -22.0483 -22.0483 -8.1548 -8.1548 1.7387 1.7387 2.0408 2.0408 2.4464 2.4464 3.5872 3.5872 5.8652 5.8652 5.9053 5.9053 7.5238 7.5238 k = 0.2767 0.5755-0.0000 ( 6443 PWs) bands (ev): -50.4188 -50.4188 -45.5482 -45.5482 -45.5119 -45.5119 -22.6924 -22.6924 -22.5649 -22.5649 -22.0483 -22.0483 -8.1561 -8.1561 1.7054 1.7054 2.0849 2.0849 2.4420 2.4420 3.5832 3.5832 5.8643 5.8643 5.9158 5.9158 7.4525 7.4525 k = 0.2652 0.5755-0.0000 ( 6447 PWs) bands (ev): -50.4189 -50.4189 -45.5510 -45.5510 -45.5090 -45.5090 -22.6923 -22.6923 -22.5649 -22.5649 -22.0484 -22.0484 -8.1577 -8.1577 1.6733 1.6733 2.1300 2.1300 2.4369 2.4369 3.5782 3.5782 5.8634 5.8634 5.9282 5.9282 7.3841 7.3841 k = 0.2537 0.5755-0.0000 ( 6443 PWs) bands (ev): -50.4189 -50.4189 -45.5538 -45.5538 -45.5061 -45.5061 -22.6923 -22.6923 -22.5648 -22.5648 -22.0484 -22.0484 -8.1594 -8.1594 1.6423 1.6423 2.1761 2.1761 2.4312 2.4312 3.5722 3.5722 5.8626 5.8626 5.9424 5.9424 7.3185 7.3185 k = 0.2421 0.5755-0.0000 ( 6439 PWs) bands (ev): -50.4190 -50.4190 -45.5565 -45.5565 -45.5033 -45.5033 -22.6922 -22.6922 -22.5648 -22.5648 -22.0484 -22.0484 -8.1614 -8.1614 1.6125 1.6125 2.2231 2.2231 2.4251 2.4251 3.5652 3.5652 5.8619 5.8619 5.9582 5.9582 7.2559 7.2559 k = 0.2306 0.5755-0.0000 ( 6442 PWs) bands (ev): -50.4191 -50.4191 -45.5591 -45.5591 -45.5006 -45.5006 -22.6922 -22.6922 -22.5647 -22.5647 -22.0485 -22.0485 -8.1634 -8.1634 1.5839 1.5839 2.2706 2.2706 2.4186 2.4186 3.5572 3.5572 5.8613 5.8613 5.9756 5.9756 7.1962 7.1962 k = 0.2191 0.5755-0.0000 ( 6446 PWs) bands (ev): -50.4192 -50.4192 -45.5616 -45.5616 -45.4979 -45.4979 -22.6921 -22.6921 -22.5646 -22.5646 -22.0485 -22.0485 -8.1656 -8.1656 1.5566 1.5566 2.3187 2.3187 2.4118 2.4118 3.5481 3.5481 5.8609 5.8609 5.9945 5.9945 7.1394 7.1394 k = 0.2076 0.5755-0.0000 ( 6446 PWs) bands (ev): -50.4193 -50.4193 -45.5640 -45.5640 -45.4954 -45.4954 -22.6920 -22.6920 -22.5645 -22.5645 -22.0485 -22.0485 -8.1678 -8.1678 1.5305 1.5305 2.3671 2.3671 2.4049 2.4049 3.5379 3.5379 5.8605 5.8605 6.0147 6.0147 7.0855 7.0855 k = 0.1960 0.5755-0.0000 ( 6452 PWs) bands (ev): -50.4194 -50.4194 -45.5663 -45.5663 -45.4930 -45.4930 -22.6920 -22.6920 -22.5644 -22.5644 -22.0486 -22.0486 -8.1701 -8.1701 1.5056 1.5056 2.3974 2.3974 2.4162 2.4162 3.5267 3.5267 5.8602 5.8602 6.0360 6.0360 7.0345 7.0345 k = 0.1845 0.5755-0.0000 ( 6456 PWs) bands (ev): -50.4195 -50.4195 -45.5684 -45.5684 -45.4907 -45.4907 -22.6919 -22.6919 -22.5643 -22.5643 -22.0486 -22.0486 -8.1724 -8.1724 1.4821 1.4821 2.3905 2.3905 2.4647 2.4647 3.5143 3.5143 5.8601 5.8601 6.0582 6.0582 6.9864 6.9864 k = 0.1730 0.5755-0.0000 ( 6454 PWs) bands (ev): -50.4195 -50.4195 -45.5705 -45.5705 -45.4884 -45.4884 -22.6919 -22.6919 -22.5643 -22.5643 -22.0487 -22.0487 -8.1747 -8.1747 1.4599 1.4599 2.3835 2.3835 2.5133 2.5133 3.5009 3.5009 5.8600 5.8600 6.0813 6.0813 6.9413 6.9413 k = 0.1614 0.5755-0.0000 ( 6455 PWs) bands (ev): -50.4196 -50.4196 -45.5724 -45.5724 -45.4864 -45.4864 -22.6918 -22.6918 -22.5642 -22.5642 -22.0487 -22.0487 -8.1770 -8.1770 1.4390 1.4390 2.3766 2.3766 2.5618 2.5618 3.4863 3.4863 5.8599 5.8599 6.1048 6.1048 6.8990 6.8990 k = 0.1499 0.5755-0.0000 ( 6459 PWs) bands (ev): -50.4197 -50.4197 -45.5742 -45.5742 -45.4844 -45.4844 -22.6917 -22.6917 -22.5641 -22.5641 -22.0488 -22.0488 -8.1793 -8.1793 1.4195 1.4195 2.3699 2.3699 2.6098 2.6098 3.4705 3.4705 5.8599 5.8599 6.1287 6.1287 6.8597 6.8597 k = 0.1384 0.5755-0.0000 ( 6461 PWs) bands (ev): -50.4198 -50.4198 -45.5759 -45.5759 -45.4826 -45.4826 -22.6917 -22.6917 -22.5640 -22.5640 -22.0488 -22.0488 -8.1815 -8.1815 1.4014 1.4014 2.3634 2.3634 2.6574 2.6574 3.4536 3.4536 5.8600 5.8600 6.1525 6.1525 6.8232 6.8232 k = 0.1268 0.5755-0.0000 ( 6453 PWs) bands (ev): -50.4199 -50.4199 -45.5775 -45.5775 -45.4809 -45.4809 -22.6916 -22.6916 -22.5639 -22.5639 -22.0488 -22.0488 -8.1835 -8.1835 1.3846 1.3846 2.3572 2.3572 2.7043 2.7043 3.4355 3.4355 5.8601 5.8601 6.1761 6.1761 6.7897 6.7897 k = 0.1153 0.5755-0.0000 ( 6457 PWs) bands (ev): -50.4200 -50.4200 -45.5789 -45.5789 -45.4793 -45.4793 -22.6916 -22.6916 -22.5639 -22.5639 -22.0489 -22.0489 -8.1855 -8.1855 1.3693 1.3693 2.3514 2.3514 2.7505 2.7505 3.4162 3.4162 5.8602 5.8602 6.1992 6.1992 6.7591 6.7591 k = 0.1038 0.5755-0.0000 ( 6457 PWs) bands (ev): -50.4200 -50.4200 -45.5802 -45.5802 -45.4779 -45.4779 -22.6915 -22.6915 -22.5638 -22.5638 -22.0489 -22.0489 -8.1874 -8.1874 1.3554 1.3554 2.3461 2.3461 2.7957 2.7957 3.3956 3.3956 5.8603 5.8603 6.2214 6.2214 6.7314 6.7314 k = 0.0922 0.5755-0.0000 ( 6456 PWs) bands (ev): -50.4201 -50.4201 -45.5814 -45.5814 -45.4766 -45.4766 -22.6915 -22.6915 -22.5637 -22.5637 -22.0490 -22.0490 -8.1891 -8.1891 1.3429 1.3429 2.3411 2.3411 2.8401 2.8401 3.3738 3.3738 5.8605 5.8605 6.2424 6.2424 6.7066 6.7066 k = 0.0807 0.5755-0.0000 ( 6450 PWs) bands (ev): -50.4202 -50.4202 -45.5824 -45.5824 -45.4755 -45.4755 -22.6915 -22.6915 -22.5637 -22.5637 -22.0490 -22.0490 -8.1906 -8.1906 1.3319 1.3319 2.3367 2.3367 2.8833 2.8833 3.3507 3.3507 5.8606 5.8606 6.2618 6.2618 6.6847 6.6847 k = 0.0692 0.5755-0.0000 ( 6456 PWs) bands (ev): -50.4202 -50.4202 -45.5834 -45.5834 -45.4745 -45.4745 -22.6914 -22.6914 -22.5636 -22.5636 -22.0490 -22.0490 -8.1919 -8.1919 1.3223 1.3223 2.3328 2.3328 2.9254 2.9254 3.3263 3.3263 5.8608 5.8608 6.2795 6.2795 6.6658 6.6658 k = 0.0577 0.5755-0.0000 ( 6459 PWs) bands (ev): -50.4203 -50.4203 -45.5841 -45.5841 -45.4736 -45.4736 -22.6914 -22.6914 -22.5636 -22.5636 -22.0490 -22.0490 -8.1931 -8.1931 1.3142 1.3142 2.3294 2.3294 2.9663 2.9663 3.3006 3.3006 5.8609 5.8609 6.2950 6.2950 6.6497 6.6497 k = 0.0461 0.5755-0.0000 ( 6459 PWs) bands (ev): -50.4203 -50.4203 -45.5848 -45.5848 -45.4729 -45.4729 -22.6914 -22.6914 -22.5636 -22.5636 -22.0490 -22.0490 -8.1941 -8.1941 1.3075 1.3075 2.3266 2.3266 3.0058 3.0058 3.2736 3.2736 5.8610 5.8610 6.3081 6.3081 6.6366 6.6366 k = 0.0346 0.5755-0.0000 ( 6451 PWs) bands (ev): -50.4203 -50.4203 -45.5852 -45.5852 -45.4724 -45.4724 -22.6914 -22.6914 -22.5635 -22.5635 -22.0491 -22.0491 -8.1948 -8.1948 1.3023 1.3023 2.3245 2.3245 3.0440 3.0440 3.2452 3.2452 5.8611 5.8611 6.3186 6.3186 6.6264 6.6264 k = 0.0231 0.5755-0.0000 ( 6451 PWs) bands (ev): -50.4204 -50.4204 -45.5856 -45.5856 -45.4720 -45.4720 -22.6913 -22.6913 -22.5635 -22.5635 -22.0491 -22.0491 -8.1954 -8.1954 1.2986 1.2986 2.3229 2.3229 3.0808 3.0808 3.2154 3.2154 5.8612 5.8612 6.3262 6.3262 6.6191 6.6191 k = 0.0115 0.5755-0.0000 ( 6444 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4718 -45.4718 -22.6913 -22.6913 -22.5635 -22.5635 -22.0491 -22.0491 -8.1957 -8.1957 1.2964 1.2964 2.3220 2.3220 3.1159 3.1159 3.1846 3.1846 5.8612 5.8612 6.3309 6.3309 6.6147 6.6147 k = 0.0000 0.5755-0.0000 ( 6438 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0491 -22.0491 -8.1958 -8.1958 1.2957 1.2957 2.3216 2.3216 3.1429 3.1429 3.1591 3.1591 5.8612 5.8612 6.3324 6.3324 6.6133 6.6133 k = 0.0000 0.5755-0.0000 ( 6438 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0491 -22.0491 -8.1958 -8.1958 1.2957 1.2957 2.3216 2.3216 3.1429 3.1429 3.1591 3.1591 5.8612 5.8612 6.3324 6.3324 6.6133 6.6133 k = 0.0000 0.5755 0.0114 ( 6448 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0491 -22.0491 -8.1956 -8.1956 1.2962 1.2962 2.3131 2.3131 3.1521 3.1521 3.1596 3.1596 5.8489 5.8489 6.3309 6.3309 6.6258 6.6258 k = 0.0000 0.5755 0.0229 ( 6452 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0491 -22.0491 -8.1948 -8.1948 1.2977 1.2977 2.2887 2.2887 3.1612 3.1612 3.1787 3.1787 5.8143 5.8143 6.3264 6.3264 6.6609 6.6609 k = 0.0000 0.5755 0.0343 ( 6448 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0492 -22.0492 -8.1936 -8.1936 1.3002 1.3002 2.2511 2.2511 3.1640 3.1640 3.2199 3.2199 5.7625 5.7625 6.3189 6.3189 6.7137 6.7137 k = 0.0000 0.5755 0.0457 ( 6454 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0493 -22.0493 -8.1918 -8.1918 1.3038 1.3038 2.2036 2.2036 3.1679 3.1679 3.2725 3.2725 5.6988 5.6988 6.3085 6.3085 6.7786 6.7786 k = 0.0000 0.5755 0.0572 ( 6456 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0494 -22.0494 -8.1896 -8.1896 1.3083 1.3083 2.1490 2.1490 3.1728 3.1728 3.3336 3.3336 5.6273 5.6273 6.2954 6.2954 6.8516 6.8516 k = 0.0000 0.5755 0.0686 ( 6456 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0496 -22.0496 -8.1868 -8.1868 1.3138 1.3138 2.0897 2.0897 3.1787 3.1787 3.4008 3.4008 5.5509 5.5509 6.2795 6.2795 6.9297 6.9297 k = 0.0000 0.5755 0.0800 ( 6460 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0498 -22.0498 -8.1837 -8.1837 1.3202 1.3202 2.0274 2.0274 3.1857 3.1857 3.4725 3.4725 5.4716 5.4716 6.2610 6.2610 7.0109 7.0109 k = 0.0000 0.5755 0.0914 ( 6454 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5635 -22.5635 -22.0500 -22.0500 -8.1801 -8.1801 1.3276 1.3276 1.9633 1.9633 3.1937 3.1937 3.5473 3.5473 5.3907 5.3907 6.2401 6.2401 7.0939 7.0939 k = 0.0000 0.5755 0.1029 ( 6458 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5634 -22.5634 -22.0502 -22.0502 -8.1762 -8.1762 1.3358 1.3358 1.8984 1.8984 3.2027 3.2027 3.6245 3.6245 5.3091 5.3091 6.2170 6.2170 7.1777 7.1777 k = 0.0000 0.5755 0.1143 ( 6464 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5634 -22.5634 -22.0505 -22.0505 -8.1718 -8.1718 1.3449 1.3449 1.8333 1.8333 3.2125 3.2125 3.7032 3.7032 5.2274 5.2274 6.1918 6.1918 7.2615 7.2615 k = 0.0000 0.5755 0.1257 ( 6468 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5634 -22.5634 -22.0507 -22.0507 -8.1672 -8.1672 1.3549 1.3549 1.7686 1.7686 3.2233 3.2233 3.7829 3.7829 5.1461 5.1461 6.1647 6.1647 7.3448 7.3448 k = 0.0000 0.5755 0.1372 ( 6468 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5634 -22.5634 -22.0510 -22.0510 -8.1622 -8.1622 1.3656 1.3656 1.7046 1.7046 3.2349 3.2349 3.8632 3.8632 5.0658 5.0658 6.1359 6.1359 7.4271 7.4271 k = 0.0000 0.5755 0.1486 ( 6466 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5634 -22.5634 -22.0513 -22.0513 -8.1570 -8.1570 1.3770 1.3770 1.6417 1.6417 3.2472 3.2472 3.9436 3.9436 4.9866 4.9866 6.1057 6.1057 7.5080 7.5080 k = 0.0000 0.5755 0.1600 ( 6464 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5634 -22.5634 -22.0516 -22.0516 -8.1516 -8.1516 1.3891 1.3891 1.5802 1.5802 3.2602 3.2602 4.0240 4.0240 4.9089 4.9089 6.0742 6.0742 7.5872 7.5872 k = 0.0000 0.5755 0.1715 ( 6468 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6913 -22.6913 -22.5634 -22.5634 -22.0519 -22.0519 -8.1460 -8.1460 1.4017 1.4017 1.5204 1.5204 3.2738 3.2738 4.1040 4.1040 4.8329 4.8329 6.0418 6.0418 7.6643 7.6643 k = 0.0000 0.5755 0.1829 ( 6462 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6912 -22.6912 -22.5634 -22.5634 -22.0522 -22.0522 -8.1403 -8.1403 1.4149 1.4149 1.4624 1.4624 3.2880 3.2880 4.1833 4.1833 4.7589 4.7589 6.0085 6.0085 7.7392 7.7392 k = 0.0000 0.5755 0.1943 ( 6458 PWs) bands (ev): -50.4204 -50.4204 -45.5859 -45.5859 -45.4717 -45.4717 -22.6912 -22.6912 -22.5633 -22.5633 -22.0526 -22.0526 -8.1345 -8.1345 1.4061 1.4061 1.4288 1.4288 3.3027 3.3027 4.2616 4.2616 4.6870 4.6870 5.9748 5.9748 7.8114 7.8114 k = 0.0000 0.5755 0.2058 ( 6452 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5633 -22.5633 -22.0529 -22.0529 -8.1286 -8.1286 1.3524 1.3524 1.4427 1.4427 3.3177 3.3177 4.3387 4.3387 4.6175 4.6175 5.9408 5.9408 7.8809 7.8809 k = 0.0000 0.5755 0.2172 ( 6446 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5633 -22.5633 -22.0532 -22.0532 -8.1228 -8.1228 1.3009 1.3009 1.4569 1.4569 3.3329 3.3329 4.4143 4.4143 4.5505 4.5505 5.9069 5.9069 7.9473 7.9473 k = 0.0000 0.5755 0.2286 ( 6444 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5633 -22.5633 -22.0535 -22.0535 -8.1170 -8.1170 1.2519 1.2519 1.4713 1.4713 3.3483 3.3483 4.4843 4.4843 4.4900 4.4900 5.8731 5.8731 8.0106 8.0106 k = 0.0000 0.5755 0.2400 ( 6440 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5633 -22.5633 -22.0539 -22.0539 -8.1113 -8.1113 1.2054 1.2054 1.4858 1.4858 3.3637 3.3637 4.4246 4.4246 4.5600 4.5600 5.8399 5.8399 8.0705 8.0705 k = 0.0000 0.5755 0.2515 ( 6440 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5633 -22.5633 -22.0542 -22.0542 -8.1058 -8.1058 1.1616 1.1616 1.5001 1.5001 3.3789 3.3789 4.3663 4.3663 4.6294 4.6294 5.8075 5.8075 8.1269 8.1269 k = 0.0000 0.5755 0.2629 ( 6438 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5633 -22.5633 -22.0545 -22.0545 -8.1004 -8.1004 1.1206 1.1206 1.5143 1.5143 3.3940 3.3940 4.3113 4.3113 4.6961 4.6961 5.7761 5.7761 8.1796 8.1796 k = 0.0000 0.5755 0.2743 ( 6430 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5632 -22.5632 -22.0547 -22.0547 -8.0953 -8.0953 1.0826 1.0826 1.5281 1.5281 3.4086 3.4086 4.2597 4.2597 4.7597 4.7597 5.7460 5.7460 8.2285 8.2285 k = 0.0000 0.5755 0.2858 ( 6432 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5632 -22.5632 -22.0550 -22.0550 -8.0905 -8.0905 1.0475 1.0475 1.5414 1.5414 3.4227 3.4227 4.2118 4.2118 4.8198 4.8198 5.7174 5.7174 8.2735 8.2735 k = 0.0000 0.5755 0.2972 ( 6430 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5632 -22.5632 -22.0552 -22.0552 -8.0860 -8.0860 1.0155 1.0155 1.5541 1.5541 3.4360 3.4360 4.1677 4.1677 4.8761 4.8761 5.6907 5.6907 8.3145 8.3145 k = 0.0000 0.5755 0.3086 ( 6430 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5632 -22.5632 -22.0555 -22.0555 -8.0819 -8.0819 0.9867 0.9867 1.5659 1.5659 3.4485 3.4485 4.1276 4.1276 4.9281 4.9281 5.6659 5.6659 8.3513 8.3513 k = 0.0000 0.5755 0.3201 ( 6434 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6912 -22.6912 -22.5632 -22.5632 -22.0557 -22.0557 -8.0782 -8.0782 0.9611 0.9611 1.5768 1.5768 3.4600 3.4600 4.0918 4.0918 4.9754 4.9754 5.6435 5.6435 8.3840 8.3840 k = 0.0000 0.5755 0.3315 ( 6430 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6911 -22.6911 -22.5632 -22.5632 -22.0559 -22.0559 -8.0749 -8.0749 0.9388 0.9388 1.5866 1.5866 3.4703 3.4703 4.0603 4.0603 5.0175 5.0175 5.6235 5.6235 8.4125 8.4125 k = 0.0000 0.5755 0.3429 ( 6432 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6911 -22.6911 -22.5632 -22.5632 -22.0560 -22.0560 -8.0720 -8.0720 0.9198 0.9198 1.5952 1.5952 3.4793 3.4793 4.0333 4.0333 5.0540 5.0540 5.6063 5.6063 8.4366 8.4366 k = 0.0000 0.5755 0.3543 ( 6428 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6911 -22.6911 -22.5632 -22.5632 -22.0561 -22.0561 -8.0697 -8.0697 0.9043 0.9043 1.6024 1.6024 3.4869 3.4869 4.0110 4.0110 5.0846 5.0846 5.5919 5.5919 8.4224 8.4565 k = 0.0000 0.5755 0.3658 ( 6420 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6911 -22.6911 -22.5632 -22.5632 -22.0562 -22.0562 -8.0678 -8.0678 0.8921 0.8921 1.6082 1.6082 3.4929 3.4929 3.9936 3.9936 5.1088 5.1088 5.5805 5.5805 8.3968 8.3968 k = 0.0000 0.5755 0.3772 ( 6418 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6911 -22.6911 -22.5632 -22.5632 -22.0563 -22.0563 -8.0665 -8.0665 0.8834 0.8834 1.6123 1.6123 3.4972 3.4972 3.9810 3.9810 5.1263 5.1263 5.5723 5.5723 8.3782 8.3782 k = 0.0000 0.5755 0.3886 ( 6410 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6911 -22.6911 -22.5632 -22.5632 -22.0563 -22.0563 -8.0657 -8.0657 0.8782 0.8782 1.6149 1.6149 3.4999 3.4999 3.9735 3.9735 5.1369 5.1369 5.5673 5.5673 8.3670 8.3670 k = 0.0000 0.5755 0.4001 ( 6408 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6911 -22.6911 -22.5632 -22.5632 -22.0564 -22.0564 -8.0654 -8.0654 0.8764 0.8764 1.6157 1.6157 3.5008 3.5008 3.9709 3.9709 5.1405 5.1405 5.5657 5.5657 8.3632 8.3632 k = 0.0000 0.5755 0.4001 ( 6408 PWs) bands (ev): -50.4204 -50.4204 -45.5858 -45.5858 -45.4717 -45.4717 -22.6911 -22.6911 -22.5632 -22.5632 -22.0564 -22.0564 -8.0654 -8.0654 0.8764 0.8764 1.6157 1.6157 3.5008 3.5008 3.9709 3.9709 5.1405 5.1405 5.5657 5.5657 8.3632 8.3632 k = 0.0115 0.5755 0.4001 ( 6410 PWs) bands (ev): -50.4203 -50.4203 -45.5857 -45.5857 -45.4717 -45.4717 -22.6911 -22.6911 -22.5632 -22.5632 -22.0564 -22.0564 -8.0653 -8.0653 0.8769 0.8769 1.6166 1.6166 3.4981 3.4981 3.9714 3.9714 5.1395 5.1395 5.5644 5.5644 8.3658 8.3658 k = 0.0231 0.5755 0.4001 ( 6418 PWs) bands (ev): -50.4203 -50.4203 -45.5855 -45.5855 -45.4720 -45.4720 -22.6911 -22.6911 -22.5632 -22.5632 -22.0564 -22.0564 -8.0650 -8.0650 0.8783 0.8783 1.6193 1.6193 3.4901 3.4901 3.9726 3.9726 5.1365 5.1365 5.5605 5.5605 8.3734 8.3734 k = 0.0346 0.5755 0.4001 ( 6420 PWs) bands (ev): -50.4203 -50.4203 -45.5852 -45.5852 -45.4724 -45.4724 -22.6912 -22.6912 -22.5632 -22.5632 -22.0563 -22.0563 -8.0644 -8.0644 0.8807 0.8807 1.6237 1.6237 3.4769 3.4769 3.9747 3.9747 5.1315 5.1315 5.5542 5.5542 8.3860 8.3860 k = 0.0461 0.5755 0.4001 ( 6422 PWs) bands (ev): -50.4203 -50.4203 -45.5847 -45.5847 -45.4729 -45.4729 -22.6912 -22.6912 -22.5632 -22.5632 -22.0563 -22.0563 -8.0637 -8.0637 0.8840 0.8840 1.6299 1.6299 3.4586 3.4586 3.9777 3.9777 5.1244 5.1244 5.5457 5.5457 8.4033 8.4033 k = 0.0577 0.5755 0.4001 ( 6426 PWs) bands (ev): -50.4202 -50.4202 -45.5841 -45.5841 -45.4736 -45.4736 -22.6912 -22.6912 -22.5633 -22.5633 -22.0563 -22.0563 -8.0627 -8.0627 0.8881 0.8881 1.6379 1.6379 3.4355 3.4355 3.9815 3.9815 5.1150 5.1150 5.5352 5.5352 8.4251 8.4251 k = 0.0692 0.5755 0.4001 ( 6438 PWs) bands (ev): -50.4202 -50.4202 -45.5833 -45.5833 -45.4745 -45.4745 -22.6912 -22.6912 -22.5633 -22.5633 -22.0563 -22.0563 -8.0616 -8.0616 0.8932 0.8932 1.6476 1.6476 3.4078 3.4078 3.9862 3.9862 5.1030 5.1030 5.5233 5.5233 8.4510 8.4510 k = 0.0807 0.5755 0.4001 ( 6440 PWs) bands (ev): -50.4201 -50.4201 -45.5824 -45.5824 -45.4754 -45.4754 -22.6913 -22.6913 -22.5634 -22.5634 -22.0563 -22.0563 -8.0603 -8.0603 0.8991 0.8991 1.6591 1.6591 3.3758 3.3758 3.9917 3.9917 5.0885 5.0885 5.5102 5.5102 8.4805 8.4805 k = 0.0922 0.5755 0.4001 ( 6442 PWs) bands (ev): -50.4201 -50.4201 -45.5814 -45.5814 -45.4766 -45.4766 -22.6913 -22.6913 -22.5634 -22.5634 -22.0562 -22.0562 -8.0588 -8.0588 0.9058 0.9058 1.6723 1.6723 3.3399 3.3399 3.9980 3.9980 5.0711 5.0711 5.4965 5.4965 8.5124 8.5124 k = 0.1038 0.5755 0.4001 ( 6442 PWs) bands (ev): -50.4200 -50.4200 -45.5802 -45.5802 -45.4779 -45.4779 -22.6913 -22.6913 -22.5635 -22.5635 -22.0562 -22.0562 -8.0571 -8.0571 0.9132 0.9132 1.6872 1.6872 3.3004 3.3004 4.0053 4.0053 5.0507 5.0507 5.4825 5.4825 8.5286 8.5286 k = 0.1153 0.5755 0.4001 ( 6442 PWs) bands (ev): -50.4199 -50.4199 -45.5789 -45.5789 -45.4793 -45.4793 -22.6914 -22.6914 -22.5636 -22.5636 -22.0561 -22.0561 -8.0553 -8.0553 0.9213 0.9213 1.7037 1.7037 3.2576 3.2576 4.0133 4.0133 5.0273 5.0273 5.4686 5.4686 8.5379 8.5379 k = 0.1268 0.5755 0.4001 ( 6444 PWs) bands (ev): -50.4199 -50.4199 -45.5775 -45.5775 -45.4809 -45.4809 -22.6914 -22.6914 -22.5636 -22.5636 -22.0561 -22.0561 -8.0534 -8.0534 0.9301 0.9301 1.7220 1.7220 3.2120 3.2120 4.0223 4.0223 5.0008 5.0008 5.4553 5.4553 8.5478 8.5478 k = 0.1384 0.5755 0.4001 ( 6448 PWs) bands (ev): -50.4198 -50.4198 -45.5759 -45.5759 -45.4826 -45.4826 -22.6915 -22.6915 -22.5637 -22.5637 -22.0561 -22.0561 -8.0514 -8.0514 0.9394 0.9394 1.7419 1.7419 3.1640 3.1640 4.0321 4.0321 4.9714 4.9714 5.4426 5.4426 8.5586 8.5586 k = 0.1499 0.5755 0.4001 ( 6458 PWs) bands (ev): -50.4197 -50.4197 -45.5742 -45.5742 -45.4844 -45.4844 -22.6915 -22.6915 -22.5638 -22.5638 -22.0560 -22.0560 -8.0493 -8.0493 0.9493 0.9493 1.7634 1.7634 3.1139 3.1139 4.0428 4.0428 4.9392 4.9392 5.4309 5.4309 8.5703 8.5703 k = 0.1614 0.5755 0.4001 ( 6460 PWs) bands (ev): -50.4196 -50.4196 -45.5724 -45.5724 -45.4864 -45.4864 -22.6916 -22.6916 -22.5639 -22.5639 -22.0560 -22.0560 -8.0471 -8.0471 0.9595 0.9595 1.7865 1.7865 3.0621 3.0621 4.0543 4.0543 4.9044 4.9044 5.4201 5.4201 8.5831 8.5831 k = 0.1730 0.5755 0.4001 ( 6460 PWs) bands (ev): -50.4195 -50.4195 -45.5705 -45.5705 -45.4884 -45.4884 -22.6917 -22.6917 -22.5639 -22.5639 -22.0559 -22.0559 -8.0448 -8.0448 0.9700 0.9700 1.8111 1.8111 3.0089 3.0089 4.0668 4.0668 4.8675 4.8675 5.4104 5.4104 8.5968 8.5968 k = 0.1845 0.5755 0.4001 ( 6460 PWs) bands (ev): -50.4194 -50.4194 -45.5684 -45.5684 -45.4906 -45.4906 -22.6917 -22.6917 -22.5640 -22.5640 -22.0559 -22.0559 -8.0426 -8.0426 0.9808 0.9808 1.8373 1.8373 2.9548 2.9548 4.0801 4.0801 4.8288 4.8288 5.4016 5.4016 8.6115 8.6115 k = 0.1960 0.5755 0.4001 ( 6472 PWs) bands (ev): -50.4193 -50.4193 -45.5663 -45.5663 -45.4930 -45.4930 -22.6918 -22.6918 -22.5641 -22.5641 -22.0558 -22.0558 -8.0403 -8.0403 0.9916 0.9916 1.8649 1.8649 2.8999 2.8999 4.0943 4.0943 4.7886 4.7886 5.3938 5.3938 8.6272 8.6272 k = 0.2076 0.5755 0.4001 ( 6470 PWs) bands (ev): -50.4192 -50.4192 -45.5640 -45.5640 -45.4954 -45.4954 -22.6918 -22.6918 -22.5642 -22.5642 -22.0558 -22.0558 -8.0381 -8.0381 1.0024 1.0024 1.8940 1.8940 2.8448 2.8448 4.1094 4.1094 4.7475 4.7475 5.3868 5.3868 8.6440 8.6440 k = 0.2191 0.5755 0.4001 ( 6468 PWs) bands (ev): -50.4192 -50.4192 -45.5616 -45.5616 -45.4979 -45.4979 -22.6919 -22.6919 -22.5643 -22.5643 -22.0557 -22.0557 -8.0359 -8.0359 1.0131 1.0131 1.9245 1.9245 2.7896 2.7896 4.1254 4.1254 4.7058 4.7058 5.3806 5.3806 8.6618 8.6618 k = 0.2306 0.5755 0.4001 ( 6462 PWs) bands (ev): -50.4191 -50.4191 -45.5591 -45.5591 -45.5006 -45.5006 -22.6920 -22.6920 -22.5644 -22.5644 -22.0557 -22.0557 -8.0338 -8.0338 1.0235 1.0235 1.9563 1.9563 2.7346 2.7346 4.1423 4.1423 4.6640 4.6640 5.3751 5.3751 8.6807 8.6807 k = 0.2421 0.5755 0.4001 ( 6460 PWs) bands (ev): -50.4190 -50.4190 -45.5565 -45.5565 -45.5033 -45.5033 -22.6920 -22.6920 -22.5644 -22.5644 -22.0556 -22.0556 -8.0318 -8.0318 1.0335 1.0335 1.9895 1.9895 2.6801 2.6801 4.1601 4.1601 4.6224 4.6224 5.3704 5.3704 8.7008 8.7008 k = 0.2537 0.5755 0.4001 ( 6460 PWs) bands (ev): -50.4189 -50.4189 -45.5538 -45.5538 -45.5061 -45.5061 -22.6921 -22.6921 -22.5645 -22.5645 -22.0556 -22.0556 -8.0299 -8.0299 1.0430 1.0430 2.0238 2.0238 2.6264 2.6264 4.1788 4.1788 4.5815 4.5815 5.3662 5.3662 8.7219 8.7219 k = 0.2652 0.5755 0.4001 ( 6456 PWs) bands (ev): -50.4188 -50.4188 -45.5510 -45.5510 -45.5090 -45.5090 -22.6921 -22.6921 -22.5646 -22.5646 -22.0556 -22.0556 -8.0282 -8.0282 1.0517 1.0517 2.0594 2.0594 2.5736 2.5736 4.1985 4.1985 4.5415 4.5415 5.3626 5.3626 8.7442 8.7442 k = 0.2767 0.5755 0.4001 ( 6450 PWs) bands (ev): -50.4188 -50.4188 -45.5481 -45.5481 -45.5119 -45.5119 -22.6922 -22.6922 -22.5646 -22.5646 -22.0555 -22.0555 -8.0267 -8.0267 1.0595 1.0595 2.0962 2.0962 2.5221 2.5221 4.2190 4.2190 4.5029 4.5029 5.3596 5.3596 8.7676 8.7676 k = 0.2883 0.5755 0.4001 ( 6446 PWs) bands (ev): -50.4187 -50.4187 -45.5452 -45.5452 -45.5150 -45.5150 -22.6922 -22.6922 -22.5647 -22.5647 -22.0555 -22.0555 -8.0253 -8.0253 1.0663 1.0663 2.1340 2.1340 2.4720 2.4720 4.2405 4.2405 4.4660 4.4660 5.3571 5.3571 8.7923 8.7923 k = 0.2998 0.5755 0.4001 ( 6446 PWs) bands (ev): -50.4187 -50.4187 -45.5422 -45.5422 -45.5180 -45.5180 -22.6923 -22.6923 -22.5647 -22.5647 -22.0555 -22.0555 -8.0243 -8.0243 1.0720 1.0720 2.1728 2.1728 2.4234 2.4234 4.2629 4.2629 4.4311 4.4311 5.3551 5.3551 8.8180 8.8180 k = 0.3113 0.5755 0.4001 ( 6448 PWs) bands (ev): -50.4187 -50.4187 -45.5392 -45.5392 -45.5210 -45.5210 -22.6923 -22.6923 -22.5648 -22.5648 -22.0555 -22.0555 -8.0234 -8.0234 1.0762 1.0762 2.2125 2.2125 2.3767 2.3767 4.2863 4.2863 4.3984 4.3984 5.3537 5.3537 8.8448 8.8448 k = 0.3229 0.5755 0.4001 ( 6442 PWs) bands (ev): -50.4186 -50.4186 -45.5364 -45.5364 -45.5240 -45.5240 -22.6923 -22.6923 -22.5648 -22.5648 -22.0555 -22.0555 -8.0229 -8.0229 1.0790 1.0790 2.2529 2.2529 2.3322 2.3322 4.3103 4.3103 4.3685 4.3685 5.3527 5.3527 8.8720 8.8720 k = 0.3344 0.5755 0.4001 ( 6436 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6923 -22.6923 -22.5648 -22.5648 -22.0554 -22.0554 -8.0227 -8.0227 1.0801 1.0801 2.2846 2.2846 2.2991 2.2991 4.3321 4.3321 4.3447 4.3447 5.3522 5.3522 8.8951 8.8951 k = 0.3344 0.5755 0.4001 ( 6436 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6923 -22.6923 -22.5648 -22.5648 -22.0554 -22.0554 -8.0227 -8.0227 1.0801 1.0801 2.2846 2.2846 2.2991 2.2991 4.3321 4.3321 4.3447 4.3447 5.3522 5.3522 8.8951 8.8951 k = 0.3285 0.5655 0.4001 ( 6436 PWs) bands (ev): -50.4186 -50.4186 -45.5373 -45.5373 -45.5230 -45.5230 -22.6923 -22.6923 -22.5648 -22.5648 -22.0555 -22.0555 -8.0230 -8.0230 1.0787 1.0787 2.2566 2.2566 2.3283 2.3283 4.3095 4.3095 4.3697 4.3697 5.3529 5.3529 8.8627 8.8627 k = 0.3227 0.5554 0.4001 ( 6444 PWs) bands (ev): -50.4187 -50.4187 -45.5406 -45.5406 -45.5197 -45.5197 -22.6923 -22.6923 -22.5647 -22.5647 -22.0555 -22.0555 -8.0236 -8.0236 1.0753 1.0753 2.2179 2.2179 2.3713 2.3713 4.2885 4.2885 4.3971 4.3971 5.3540 5.3540 8.8238 8.8238 k = 0.3168 0.5453 0.4001 ( 6448 PWs) bands (ev): -50.4187 -50.4187 -45.5440 -45.5440 -45.5163 -45.5163 -22.6922 -22.6922 -22.5647 -22.5647 -22.0555 -22.0555 -8.0246 -8.0246 1.0700 1.0700 2.1816 2.1816 2.4149 2.4149 4.2709 4.2709 4.4257 4.4257 5.3557 5.3557 8.7789 8.7789 k = 0.3109 0.5352 0.4001 ( 6452 PWs) bands (ev): -50.4188 -50.4188 -45.5474 -45.5474 -45.5128 -45.5128 -22.6922 -22.6922 -22.5646 -22.5646 -22.0555 -22.0555 -8.0260 -8.0260 1.0625 1.0625 2.1479 2.1479 2.4591 2.4591 4.2568 4.2568 4.4554 4.4554 5.3579 5.3579 8.7283 8.7283 k = 0.3051 0.5251 0.4001 ( 6444 PWs) bands (ev): -50.4188 -50.4188 -45.5507 -45.5507 -45.5093 -45.5093 -22.6921 -22.6921 -22.5645 -22.5645 -22.0556 -22.0556 -8.0279 -8.0279 1.0529 1.0529 2.1169 2.1169 2.5037 2.5037 4.2462 4.2462 4.4860 4.4860 5.3607 5.3607 8.6726 8.6726 k = 0.2992 0.5150 0.4001 ( 6452 PWs) bands (ev): -50.4189 -50.4189 -45.5542 -45.5542 -45.5057 -45.5057 -22.6920 -22.6920 -22.5645 -22.5645 -22.0556 -22.0556 -8.0301 -8.0301 1.0411 1.0411 2.0887 2.0887 2.5487 2.5487 4.2393 4.2393 4.5177 4.5177 5.3641 5.3641 8.6121 8.6121 k = 0.2933 0.5049 0.4001 ( 6452 PWs) bands (ev): -50.4190 -50.4190 -45.5576 -45.5576 -45.5021 -45.5021 -22.6919 -22.6919 -22.5643 -22.5643 -22.0557 -22.0557 -8.0328 -8.0328 1.0271 1.0271 2.0634 2.0634 2.5940 2.5940 4.2360 4.2360 4.5505 4.5505 5.3682 5.3682 8.5473 8.5473 k = 0.2875 0.4948 0.4001 ( 6456 PWs) bands (ev): -50.4191 -50.4191 -45.5610 -45.5610 -45.4985 -45.4985 -22.6918 -22.6918 -22.5642 -22.5642 -22.0557 -22.0557 -8.0360 -8.0360 1.0109 1.0109 2.0410 2.0410 2.6395 2.6395 4.2364 4.2364 4.5842 4.5842 5.3729 5.3729 8.4787 8.4787 k = 0.2816 0.4847 0.4001 ( 6464 PWs) bands (ev): -50.4193 -50.4193 -45.5645 -45.5645 -45.4948 -45.4948 -22.6917 -22.6917 -22.5641 -22.5641 -22.0558 -22.0558 -8.0396 -8.0396 0.9926 0.9926 2.0216 2.0216 2.6851 2.6851 4.2404 4.2404 4.6190 4.6190 5.3785 5.3785 8.4068 8.4068 k = 0.2757 0.4746 0.4001 ( 6468 PWs) bands (ev): -50.4195 -50.4195 -45.5679 -45.5679 -45.4912 -45.4912 -22.6916 -22.6916 -22.5640 -22.5640 -22.0559 -22.0559 -8.0436 -8.0436 0.9722 0.9722 2.0053 2.0053 2.7306 2.7306 4.2478 4.2478 4.6548 4.6548 5.3848 5.3848 8.3318 8.3318 k = 0.2699 0.4645 0.4001 ( 6460 PWs) bands (ev): -50.4196 -50.4196 -45.5713 -45.5713 -45.4874 -45.4874 -22.6914 -22.6914 -22.5638 -22.5638 -22.0560 -22.0560 -8.0482 -8.0482 0.9498 0.9498 1.9920 1.9920 2.7761 2.7761 4.2586 4.2586 4.6917 4.6917 5.3920 5.3920 8.2543 8.2543 k = 0.2640 0.4544 0.4001 ( 6448 PWs) bands (ev): -50.4198 -50.4198 -45.5747 -45.5747 -45.4837 -45.4837 -22.6913 -22.6913 -22.5636 -22.5636 -22.0561 -22.0561 -8.0532 -8.0532 0.9255 0.9255 1.9819 1.9819 2.8214 2.8214 4.2726 4.2726 4.7296 4.7296 5.4002 5.4002 8.1745 8.1745 k = 0.2581 0.4443 0.4001 ( 6456 PWs) bands (ev): -50.4200 -50.4200 -45.5781 -45.5781 -45.4800 -45.4800 -22.6911 -22.6911 -22.5635 -22.5635 -22.0562 -22.0562 -8.0586 -8.0586 0.8995 0.8995 1.9750 1.9750 2.8664 2.8664 4.2896 4.2896 4.7685 4.7685 5.4094 5.4094 8.0928 8.0928 k = 0.2523 0.4342 0.4001 ( 6462 PWs) bands (ev): -50.4203 -50.4203 -45.5815 -45.5815 -45.4762 -45.4762 -22.6909 -22.6909 -22.5633 -22.5633 -22.0563 -22.0563 -8.0645 -8.0645 0.8718 0.8718 1.9712 1.9712 2.9110 2.9110 4.3093 4.3093 4.8084 4.8084 5.4196 5.4196 8.0096 8.0096 k = 0.2464 0.4241 0.4001 ( 6458 PWs) bands (ev): -50.4205 -50.4205 -45.5848 -45.5848 -45.4725 -45.4725 -22.6908 -22.6908 -22.5631 -22.5631 -22.0564 -22.0564 -8.0709 -8.0709 0.8426 0.8426 1.9707 1.9707 2.9551 2.9551 4.3316 4.3316 4.8494 4.8494 5.4310 5.4310 7.9250 7.9250 k = 0.2405 0.4140 0.4001 ( 6458 PWs) bands (ev): -50.4208 -50.4208 -45.5881 -45.5881 -45.4687 -45.4687 -22.6906 -22.6906 -22.5629 -22.5629 -22.0566 -22.0566 -8.0777 -8.0777 0.8120 0.8120 1.9733 1.9733 2.9987 2.9987 4.3562 4.3562 4.8914 4.8914 5.4436 5.4436 7.8393 7.8393 k = 0.2347 0.4039 0.4001 ( 6460 PWs) bands (ev): -50.4211 -50.4211 -45.5914 -45.5914 -45.4650 -45.4650 -22.6903 -22.6903 -22.5626 -22.5626 -22.0567 -22.0567 -8.0849 -8.0849 0.7802 0.7802 1.9791 1.9791 3.0417 3.0417 4.3828 4.3828 4.9344 4.9344 5.4576 5.4576 7.7527 7.7527 k = 0.2288 0.3938 0.4001 ( 6460 PWs) bands (ev): -50.4214 -50.4214 -45.5946 -45.5946 -45.4613 -45.4613 -22.6901 -22.6901 -22.5624 -22.5624 -22.0569 -22.0569 -8.0925 -8.0925 0.7474 0.7474 1.9881 1.9881 3.0839 3.0839 4.4110 4.4110 4.9783 4.9783 5.4731 5.4731 7.6654 7.6654 k = 0.2229 0.3837 0.4001 ( 6454 PWs) bands (ev): -50.4217 -50.4217 -45.5977 -45.5977 -45.4576 -45.4576 -22.6899 -22.6899 -22.5621 -22.5621 -22.0571 -22.0571 -8.1005 -8.1005 0.7138 0.7138 2.0002 2.0002 3.1253 3.1253 4.4407 4.4407 5.0233 5.0233 5.4901 5.4901 7.5776 7.5776 k = 0.2171 0.3736 0.4001 ( 6450 PWs) bands (ev): -50.4221 -50.4221 -45.6009 -45.6009 -45.4539 -45.4539 -22.6896 -22.6896 -22.5619 -22.5619 -22.0572 -22.0572 -8.1088 -8.1088 0.6793 0.6793 2.0154 2.0154 3.1658 3.1658 4.4715 4.4715 5.0693 5.0693 5.5087 5.5087 7.4894 7.4894 k = 0.2112 0.3635 0.4001 ( 6438 PWs) bands (ev): -50.4224 -50.4224 -45.6039 -45.6039 -45.4503 -45.4503 -22.6894 -22.6894 -22.5616 -22.5616 -22.0574 -22.0574 -8.1175 -8.1175 0.6443 0.6443 2.0338 2.0338 3.2054 3.2054 4.5031 4.5031 5.1161 5.1161 5.5291 5.5291 7.4010 7.4010 k = 0.2053 0.3534 0.4001 ( 6442 PWs) bands (ev): -50.4228 -50.4228 -45.6069 -45.6069 -45.4467 -45.4467 -22.6891 -22.6891 -22.5613 -22.5613 -22.0576 -22.0576 -8.1265 -8.1265 0.6088 0.6088 2.0552 2.0552 3.2440 3.2440 4.5351 4.5351 5.1640 5.1640 5.5514 5.5514 7.3124 7.3124 k = 0.1995 0.3433 0.4001 ( 6438 PWs) bands (ev): -50.4232 -50.4232 -45.6099 -45.6099 -45.4431 -45.4431 -22.6888 -22.6888 -22.5610 -22.5610 -22.0578 -22.0578 -8.1358 -8.1358 0.5731 0.5731 2.0796 2.0796 3.2815 3.2815 4.5673 4.5673 5.2127 5.2127 5.5756 5.5756 7.2237 7.2237 k = 0.1936 0.3332 0.4001 ( 6438 PWs) bands (ev): -50.4236 -50.4236 -45.6128 -45.6128 -45.4396 -45.4396 -22.6885 -22.6885 -22.5607 -22.5607 -22.0580 -22.0580 -8.1453 -8.1453 0.5371 0.5371 2.1069 2.1069 3.3179 3.3179 4.5993 4.5993 5.2623 5.2623 5.6018 5.6018 7.1352 7.1352 k = 0.1877 0.3231 0.4001 ( 6444 PWs) bands (ev): -50.4240 -50.4240 -45.6156 -45.6156 -45.4361 -45.4361 -22.6882 -22.6882 -22.5604 -22.5604 -22.0582 -22.0582 -8.1551 -8.1551 0.5012 0.5012 2.1372 2.1372 3.3531 3.3531 4.6310 4.6310 5.3127 5.3127 5.6302 5.6302 7.0467 7.0467 k = 0.1819 0.3130 0.4001 ( 6444 PWs) bands (ev): -50.4244 -50.4244 -45.6183 -45.6183 -45.4327 -45.4327 -22.6879 -22.6879 -22.5600 -22.5600 -22.0584 -22.0584 -8.1650 -8.1650 0.4653 0.4653 2.1703 2.1703 3.3871 3.3871 4.6620 4.6620 5.3639 5.3639 5.6606 5.6606 6.9584 6.9584 k = 0.1760 0.3029 0.4001 ( 6448 PWs) bands (ev): -50.4248 -50.4248 -45.6210 -45.6210 -45.4293 -45.4293 -22.6876 -22.6876 -22.5597 -22.5597 -22.0586 -22.0586 -8.1751 -8.1751 0.4296 0.4296 2.2061 2.2061 3.4199 3.4199 4.6922 4.6922 5.4159 5.4159 5.6932 5.6932 6.8703 6.8703 k = 0.1701 0.2928 0.4001 ( 6448 PWs) bands (ev): -50.4253 -50.4253 -45.6236 -45.6236 -45.4260 -45.4260 -22.6873 -22.6873 -22.5594 -22.5594 -22.0589 -22.0589 -8.1853 -8.1853 0.3942 0.3942 2.2446 2.2446 3.4513 3.4513 4.7213 4.7213 5.4686 5.4686 5.7279 5.7279 6.7824 6.7824 k = 0.1643 0.2827 0.4001 ( 6448 PWs) bands (ev): -50.4257 -50.4257 -45.6262 -45.6262 -45.4228 -45.4228 -22.6869 -22.6869 -22.5590 -22.5590 -22.0591 -22.0591 -8.1957 -8.1957 0.3592 0.3592 2.2858 2.2858 3.4815 3.4815 4.7493 4.7493 5.5220 5.5220 5.7646 5.7646 6.6949 6.6949 k = 0.1584 0.2726 0.4001 ( 6452 PWs) bands (ev): -50.4261 -50.4261 -45.6286 -45.6286 -45.4196 -45.4196 -22.6866 -22.6866 -22.5587 -22.5587 -22.0593 -22.0593 -8.2060 -8.2060 0.3247 0.3247 2.3295 2.3295 3.5104 3.5104 4.7759 4.7759 5.5759 5.5759 5.8032 5.8032 6.6076 6.6076 k = 0.1525 0.2625 0.4001 ( 6454 PWs) bands (ev): -50.4266 -50.4266 -45.6310 -45.6310 -45.4165 -45.4165 -22.6863 -22.6863 -22.5584 -22.5584 -22.0595 -22.0595 -8.2164 -8.2164 0.2908 0.2908 2.3756 2.3756 3.5380 3.5380 4.8012 4.8012 5.6304 5.6304 5.8436 5.8436 6.5208 6.5208 k = 0.1467 0.2524 0.4001 ( 6450 PWs) bands (ev): -50.4270 -50.4270 -45.6333 -45.6333 -45.4135 -45.4135 -22.6860 -22.6860 -22.5580 -22.5580 -22.0598 -22.0598 -8.2267 -8.2267 0.2576 0.2576 2.4241 2.4241 3.5643 3.5643 4.8250 4.8250 5.6853 5.6853 5.8856 5.8856 6.4343 6.4343 k = 0.1408 0.2423 0.4001 ( 6454 PWs) bands (ev): -50.4275 -50.4275 -45.6355 -45.6355 -45.4106 -45.4106 -22.6856 -22.6856 -22.5577 -22.5577 -22.0600 -22.0600 -8.2370 -8.2370 0.2251 0.2251 2.4748 2.4748 3.5893 3.5893 4.8474 4.8474 5.7405 5.7405 5.9290 5.9290 6.3481 6.3481 k = 0.1349 0.2322 0.4001 ( 6458 PWs) bands (ev): -50.4279 -50.4279 -45.6376 -45.6376 -45.4078 -45.4078 -22.6853 -22.6853 -22.5573 -22.5573 -22.0602 -22.0602 -8.2472 -8.2472 0.1935 0.1935 2.5277 2.5277 3.6130 3.6130 4.8684 4.8684 5.7960 5.7960 5.9735 5.9735 6.2624 6.2624 k = 0.1291 0.2221 0.4001 ( 6454 PWs) bands (ev): -50.4284 -50.4284 -45.6397 -45.6397 -45.4050 -45.4050 -22.6850 -22.6850 -22.5570 -22.5570 -22.0604 -22.0604 -8.2573 -8.2573 0.1628 0.1628 2.5826 2.5826 3.6353 3.6353 4.8880 4.8880 5.8517 5.8517 6.0189 6.0189 6.1771 6.1771 k = 0.1232 0.2120 0.4001 ( 6450 PWs) bands (ev): -50.4288 -50.4288 -45.6416 -45.6416 -45.4024 -45.4024 -22.6846 -22.6846 -22.5566 -22.5566 -22.0606 -22.0606 -8.2672 -8.2672 0.1330 0.1330 2.6395 2.6395 3.6564 3.6564 4.9063 4.9063 5.9073 5.9073 6.0649 6.0649 6.0923 6.0923 k = 0.1173 0.2019 0.4001 ( 6450 PWs) bands (ev): -50.4292 -50.4292 -45.6435 -45.6435 -45.3998 -45.3998 -22.6843 -22.6843 -22.5563 -22.5563 -22.0609 -22.0609 -8.2769 -8.2769 0.1043 0.1043 2.6982 2.6982 3.6763 3.6763 4.9233 4.9233 5.9627 5.9627 6.0077 6.0077 6.1115 6.1115 k = 0.1115 0.1918 0.4001 ( 6470 PWs) bands (ev): -50.4296 -50.4296 -45.6453 -45.6453 -45.3974 -45.3974 -22.6840 -22.6840 -22.5560 -22.5560 -22.0611 -22.0611 -8.2864 -8.2864 0.0766 0.0766 2.7586 2.7586 3.6949 3.6949 4.9391 4.9391 5.9236 5.9236 6.0180 6.0180 6.1580 6.1580 k = 0.1056 0.1818 0.4001 ( 6466 PWs) bands (ev): -50.4300 -50.4300 -45.6469 -45.6469 -45.3951 -45.3951 -22.6837 -22.6837 -22.5556 -22.5556 -22.0613 -22.0613 -8.2956 -8.2956 0.0500 0.0500 2.8206 2.8206 3.7123 3.7123 4.9537 4.9537 5.8401 5.8401 6.0728 6.0728 6.2043 6.2043 k = 0.0997 0.1717 0.4001 ( 6470 PWs) bands (ev): -50.4304 -50.4304 -45.6485 -45.6485 -45.3929 -45.3929 -22.6834 -22.6834 -22.5553 -22.5553 -22.0615 -22.0615 -8.3044 -8.3044 0.0247 0.0247 2.8840 2.8840 3.7286 3.7286 4.9672 4.9672 5.7571 5.7571 6.1269 6.1269 6.2501 6.2501 k = 0.0939 0.1616 0.4001 ( 6474 PWs) bands (ev): -50.4308 -50.4308 -45.6501 -45.6501 -45.3907 -45.3907 -22.6831 -22.6831 -22.5550 -22.5550 -22.0617 -22.0617 -8.3130 -8.3130 0.0006 0.0006 2.9486 2.9486 3.7437 3.7437 4.9796 4.9796 5.6746 5.6746 6.1802 6.1802 6.2952 6.2952 k = 0.0880 0.1515 0.4001 ( 6462 PWs) bands (ev): -50.4312 -50.4312 -45.6515 -45.6515 -45.3887 -45.3887 -22.6829 -22.6829 -22.5547 -22.5547 -22.0618 -22.0618 -8.3212 -8.3212 -0.0223 -0.0223 3.0144 3.0144 3.7577 3.7577 4.9911 4.9911 5.5927 5.5927 6.2325 6.2325 6.3391 6.3391 k = 0.0821 0.1414 0.4001 ( 6458 PWs) bands (ev): -50.4315 -50.4315 -45.6528 -45.6528 -45.3868 -45.3868 -22.6826 -22.6826 -22.5545 -22.5545 -22.0620 -22.0620 -8.3290 -8.3290 -0.0439 -0.0439 3.0812 3.0812 3.7706 3.7706 5.0016 5.0016 5.5115 5.5115 6.2834 6.2834 6.3817 6.3817 k = 0.0763 0.1313 0.4001 ( 6458 PWs) bands (ev): -50.4319 -50.4319 -45.6540 -45.6540 -45.3851 -45.3851 -22.6823 -22.6823 -22.5542 -22.5542 -22.0622 -22.0622 -8.3364 -8.3364 -0.0641 -0.0641 3.1487 3.1487 3.7825 3.7825 5.0112 5.0112 5.4311 5.4311 6.3328 6.3328 6.4227 6.4227 k = 0.0704 0.1212 0.4001 ( 6474 PWs) bands (ev): -50.4322 -50.4322 -45.6552 -45.6552 -45.3834 -45.3834 -22.6821 -22.6821 -22.5539 -22.5539 -22.0623 -22.0623 -8.3433 -8.3433 -0.0829 -0.0829 3.2167 3.2167 3.7933 3.7933 5.0200 5.0200 5.3515 5.3515 6.3803 6.3803 6.4619 6.4619 k = 0.0645 0.1111 0.4001 ( 6466 PWs) bands (ev): -50.4325 -50.4325 -45.6562 -45.6562 -45.3819 -45.3819 -22.6819 -22.6819 -22.5537 -22.5537 -22.0625 -22.0625 -8.3498 -8.3498 -0.1004 -0.1004 3.2849 3.2849 3.8031 3.8031 5.0279 5.0279 5.2731 5.2731 6.4257 6.4257 6.4989 6.4989 k = 0.0587 0.1010 0.4001 ( 6470 PWs) bands (ev): -50.4327 -50.4327 -45.6572 -45.6572 -45.3805 -45.3805 -22.6817 -22.6817 -22.5535 -22.5535 -22.0626 -22.0626 -8.3558 -8.3558 -0.1164 -0.1164 3.3531 3.3531 3.8120 3.8120 5.0350 5.0350 5.1959 5.1959 6.4686 6.4686 6.5336 6.5336 k = 0.0528 0.0909 0.4001 ( 6474 PWs) bands (ev): -50.4330 -50.4330 -45.6581 -45.6581 -45.3792 -45.3792 -22.6815 -22.6815 -22.5533 -22.5533 -22.0628 -22.0628 -8.3613 -8.3613 -0.1309 -0.1309 3.4208 3.4208 3.8200 3.8200 5.0414 5.0414 5.1204 5.1204 6.5088 6.5088 6.5657 6.5657 k = 0.0469 0.0808 0.4001 ( 6470 PWs) bands (ev): -50.4332 -50.4332 -45.6589 -45.6589 -45.3781 -45.3781 -22.6813 -22.6813 -22.5531 -22.5531 -22.0629 -22.0629 -8.3662 -8.3662 -0.1440 -0.1440 3.4876 3.4876 3.8270 3.8270 5.0447 5.0447 5.0492 5.0492 6.5460 6.5460 6.5951 6.5951 k = 0.0411 0.0707 0.4001 ( 6486 PWs) bands (ev): -50.4334 -50.4334 -45.6596 -45.6596 -45.3771 -45.3771 -22.6812 -22.6812 -22.5529 -22.5529 -22.0630 -22.0630 -8.3706 -8.3706 -0.1556 -0.1556 3.5527 3.5527 3.8332 3.8332 4.9757 4.9757 5.0522 5.0522 6.5797 6.5797 6.6215 6.6215 k = 0.0352 0.0606 0.4001 ( 6502 PWs) bands (ev): -50.4336 -50.4336 -45.6602 -45.6602 -45.3762 -45.3762 -22.6810 -22.6810 -22.5528 -22.5528 -22.0631 -22.0631 -8.3745 -8.3745 -0.1657 -0.1657 3.6153 3.6153 3.8385 3.8385 4.9083 4.9083 5.0564 5.0564 6.6097 6.6097 6.6447 6.6447 k = 0.0293 0.0505 0.4001 ( 6498 PWs) bands (ev): -50.4337 -50.4337 -45.6607 -45.6607 -45.3755 -45.3755 -22.6809 -22.6809 -22.5527 -22.5527 -22.0631 -22.0631 -8.3778 -8.3778 -0.1742 -0.1742 3.6742 3.6742 3.8430 3.8430 4.8453 4.8453 5.0600 5.0600 6.6356 6.6356 6.6646 6.6646 k = 0.0235 0.0404 0.4001 ( 6506 PWs) bands (ev): -50.4339 -50.4339 -45.6611 -45.6611 -45.3748 -45.3748 -22.6808 -22.6808 -22.5526 -22.5526 -22.0632 -22.0632 -8.3805 -8.3805 -0.1812 -0.1812 3.7278 3.7278 3.8467 3.8467 4.7884 4.7884 5.0629 5.0629 6.6573 6.6573 6.6811 6.6811 k = 0.0176 0.0303 0.4001 ( 6514 PWs) bands (ev): -50.4340 -50.4340 -45.6614 -45.6614 -45.3744 -45.3744 -22.6808 -22.6808 -22.5525 -22.5525 -22.0633 -22.0633 -8.3826 -8.3826 -0.1867 -0.1867 3.7739 3.7739 3.8497 3.8497 4.7396 4.7396 5.0651 5.0651 6.6744 6.6744 6.6941 6.6941 k = 0.0117 0.0202 0.4001 ( 6502 PWs) bands (ev): -50.4340 -50.4340 -45.6616 -45.6616 -45.3740 -45.3740 -22.6807 -22.6807 -22.5524 -22.5524 -22.0633 -22.0633 -8.3841 -8.3841 -0.1906 -0.1906 3.8097 3.8097 3.8521 3.8521 4.7016 4.7016 5.0667 5.0667 6.6868 6.6868 6.7034 6.7034 k = 0.0059 0.0101 0.4001 ( 6498 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6807 -22.6807 -22.5524 -22.5524 -22.0633 -22.0633 -8.3850 -8.3850 -0.1930 -0.1930 3.8321 3.8321 3.8543 3.8543 4.6772 4.6772 5.0677 5.0677 6.6943 6.6943 6.7090 6.7090 k = 0.0000 0.0000 0.4001 ( 6500 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6807 -22.6807 -22.5524 -22.5524 -22.0633 -22.0633 -8.3853 -8.3853 -0.1937 -0.1937 3.8392 3.8392 3.8557 3.8557 4.6688 4.6688 5.0680 5.0680 6.6968 6.6968 6.7109 6.7109 k = 0.0000 0.0000 0.4001 ( 6500 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6807 -22.6807 -22.5524 -22.5524 -22.0633 -22.0633 -8.3853 -8.3853 -0.1937 -0.1937 3.8392 3.8392 3.8557 3.8557 4.6688 4.6688 5.0680 5.0680 6.6968 6.6968 6.7109 6.7109 k = 0.0000 0.0000 0.3886 ( 6486 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5524 -22.5524 -22.0633 -22.0633 -8.3856 -8.3856 -0.1921 -0.1921 3.8391 3.8391 3.8556 3.8556 4.6469 4.6469 5.0899 5.0899 6.6966 6.6966 6.7107 6.7107 k = 0.0000 0.0000 0.3772 ( 6482 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5524 -22.5524 -22.0632 -22.0632 -8.3864 -8.3864 -0.1870 -0.1870 3.8389 3.8389 3.8554 3.8554 4.5915 4.5915 5.1454 5.1454 6.6959 6.6959 6.7100 6.7100 k = 0.0000 0.0000 0.3658 ( 6478 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5524 -22.5524 -22.0632 -22.0632 -8.3878 -8.3878 -0.1786 -0.1786 3.8385 3.8385 3.8550 3.8550 4.5181 4.5181 5.2189 5.2189 6.6948 6.6948 6.7089 6.7089 k = 0.0000 0.0000 0.3543 ( 6478 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5524 -22.5524 -22.0631 -22.0631 -8.3897 -8.3897 -0.1668 -0.1668 3.8379 3.8379 3.8545 3.8545 4.4360 4.4360 5.3012 5.3012 6.6933 6.6933 6.7074 6.7074 k = 0.0000 0.0000 0.3429 ( 6474 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5524 -22.5524 -22.0629 -22.0629 -8.3921 -8.3921 -0.1518 -0.1518 3.8372 3.8372 3.8538 3.8538 4.3492 4.3492 5.3881 5.3881 6.6914 6.6914 6.7055 6.7055 k = 0.0000 0.0000 0.3315 ( 6474 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5524 -22.5524 -22.0628 -22.0628 -8.3951 -8.3951 -0.1334 -0.1334 3.8364 3.8364 3.8530 3.8530 4.2599 4.2599 5.4775 5.4775 6.6890 6.6890 6.7032 6.7032 k = 0.0000 0.0000 0.3201 ( 6486 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5524 -22.5524 -22.0626 -22.0626 -8.3985 -8.3985 -0.1118 -0.1118 3.8354 3.8354 3.8521 3.8521 4.1691 4.1691 5.5683 5.5683 6.6863 6.6863 6.7006 6.7006 k = 0.0000 0.0000 0.3086 ( 6498 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6807 -22.6807 -22.5524 -22.5524 -22.0623 -22.0623 -8.4023 -8.4023 -0.0871 -0.0871 3.8343 3.8343 3.8510 3.8510 4.0774 4.0774 5.6600 5.6600 6.6833 6.6833 6.6976 6.6976 k = 0.0000 0.0000 0.2972 ( 6502 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6807 -22.6807 -22.5524 -22.5524 -22.0621 -22.0621 -8.4066 -8.4066 -0.0592 -0.0592 3.8331 3.8331 3.8499 3.8499 3.9851 3.9851 5.7521 5.7521 6.6799 6.6799 6.6942 6.6942 k = 0.0000 0.0000 0.2858 ( 6514 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6807 -22.6807 -22.5524 -22.5524 -22.0618 -22.0618 -8.4112 -8.4112 -0.0282 -0.0282 3.8316 3.8316 3.8486 3.8486 3.8927 3.8927 5.8442 5.8442 6.6762 6.6762 6.6906 6.6906 k = 0.0000 0.0000 0.2743 ( 6516 PWs) bands (ev): -50.4341 -50.4341 -45.6619 -45.6619 -45.3738 -45.3738 -22.6807 -22.6807 -22.5524 -22.5524 -22.0615 -22.0615 -8.4161 -8.4161 0.0058 0.0058 3.7991 3.7991 3.8308 3.8308 3.8473 3.8473 5.9363 5.9363 6.6722 6.6722 6.6868 6.6868 k = 0.0000 0.0000 0.2629 ( 6508 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6807 -22.6807 -22.5525 -22.5525 -22.0612 -22.0612 -8.4214 -8.4214 0.0427 0.0427 3.7066 3.7066 3.8290 3.8290 3.8459 3.8459 6.0281 6.0281 6.6681 6.6681 6.6827 6.6827 k = 0.0000 0.0000 0.2515 ( 6500 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5525 -22.5525 -22.0609 -22.0609 -8.4268 -8.4268 0.0824 0.0824 3.6138 3.6138 3.8274 3.8274 3.8444 3.8444 6.1193 6.1193 6.6637 6.6637 6.6784 6.6784 k = 0.0000 0.0000 0.2400 ( 6500 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5525 -22.5525 -22.0606 -22.0606 -8.4325 -8.4325 0.1249 0.1249 3.5211 3.5211 3.8257 3.8257 3.8428 3.8428 6.2099 6.2099 6.6592 6.6592 6.6739 6.6739 k = 0.0000 0.0000 0.2286 ( 6500 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5525 -22.5525 -22.0602 -22.0602 -8.4384 -8.4384 0.1701 0.1701 3.4286 3.4286 3.8240 3.8240 3.8412 3.8412 6.2997 6.2997 6.6545 6.6545 6.6693 6.6693 k = 0.0000 0.0000 0.2172 ( 6506 PWs) bands (ev): -50.4341 -50.4341 -45.6619 -45.6619 -45.3737 -45.3737 -22.6807 -22.6807 -22.5525 -22.5525 -22.0599 -22.0599 -8.4443 -8.4443 0.2178 0.2178 3.3362 3.3362 3.8223 3.8223 3.8396 3.8396 6.3884 6.3884 6.6498 6.6498 6.6647 6.6647 k = 0.0000 0.0000 0.2058 ( 6498 PWs) bands (ev): -50.4341 -50.4341 -45.6619 -45.6619 -45.3737 -45.3737 -22.6807 -22.6807 -22.5525 -22.5525 -22.0595 -22.0595 -8.4503 -8.4503 0.2680 0.2680 3.2442 3.2442 3.8206 3.8206 3.8379 3.8379 6.4759 6.4759 6.6450 6.6450 6.6600 6.6600 k = 0.0000 0.0000 0.1943 ( 6490 PWs) bands (ev): -50.4341 -50.4341 -45.6619 -45.6619 -45.3737 -45.3737 -22.6807 -22.6807 -22.5525 -22.5525 -22.0592 -22.0592 -8.4563 -8.4563 0.3206 0.3206 3.1525 3.1525 3.8188 3.8188 3.8363 3.8363 6.5620 6.5620 6.6402 6.6402 6.6553 6.6553 k = 0.0000 0.0000 0.1829 ( 6482 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5525 -22.5525 -22.0588 -22.0588 -8.4623 -8.4623 0.3754 0.3754 3.0612 3.0612 3.8171 3.8171 3.8347 3.8347 6.6355 6.6355 6.6464 6.6464 6.6507 6.6507 k = 0.0000 0.0000 0.1715 ( 6462 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5525 -22.5525 -22.0585 -22.0585 -8.4681 -8.4681 0.4322 0.4322 2.9704 2.9704 3.8154 3.8154 3.8330 3.8330 6.6308 6.6308 6.6461 6.6461 6.7288 6.7288 k = 0.0000 0.0000 0.1600 ( 6440 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5525 -22.5525 -22.0581 -22.0581 -8.4739 -8.4739 0.4911 0.4911 2.8802 2.8802 3.8138 3.8138 3.8315 3.8315 6.6263 6.6263 6.6416 6.6416 6.8090 6.8090 k = 0.0000 0.0000 0.1486 ( 6436 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5526 -22.5526 -22.0578 -22.0578 -8.4794 -8.4794 0.5517 0.5517 2.7906 2.7906 3.8121 3.8121 3.8299 3.8299 6.6218 6.6218 6.6372 6.6372 6.8866 6.8866 k = 0.0000 0.0000 0.1372 ( 6430 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5526 -22.5526 -22.0575 -22.0575 -8.4848 -8.4848 0.6139 0.6139 2.7019 2.7019 3.8106 3.8106 3.8285 3.8285 6.6176 6.6176 6.6331 6.6331 6.9612 6.9612 k = 0.0000 0.0000 0.1257 ( 6422 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5526 -22.5526 -22.0572 -22.0572 -8.4898 -8.4898 0.6775 0.6775 2.6141 2.6141 3.8091 3.8091 3.8271 3.8271 6.6136 6.6136 6.6291 6.6291 7.0326 7.0326 k = 0.0000 0.0000 0.1143 ( 6422 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5526 -22.5526 -22.0569 -22.0569 -8.4946 -8.4946 0.7422 0.7422 2.5275 2.5275 3.8077 3.8077 3.8257 3.8257 6.6098 6.6098 6.6254 6.6254 7.1001 7.1001 k = 0.0000 0.0000 0.1029 ( 6416 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5526 -22.5526 -22.0566 -22.0566 -8.4990 -8.4990 0.8078 0.8078 2.4423 2.4423 3.8064 3.8064 3.8245 3.8245 6.6063 6.6063 6.6219 6.6219 7.1635 7.1635 k = 0.0000 0.0000 0.0914 ( 6420 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6807 -22.6807 -22.5526 -22.5526 -22.0564 -22.0564 -8.5031 -8.5031 0.8737 0.8737 2.3589 2.3589 3.8052 3.8052 3.8234 3.8234 6.6030 6.6030 6.6188 6.6188 7.2221 7.2221 k = 0.0000 0.0000 0.0800 ( 6418 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0562 -22.0562 -8.5068 -8.5068 0.9396 0.9396 2.2777 2.2777 3.8042 3.8042 3.8224 3.8224 6.6001 6.6001 6.6159 6.6159 7.2755 7.2755 k = 0.0000 0.0000 0.0686 ( 6412 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0560 -22.0560 -8.5100 -8.5100 1.0045 1.0045 2.1996 2.1996 3.8032 3.8032 3.8215 3.8215 6.5976 6.5976 6.6134 6.6134 7.3232 7.3232 k = 0.0000 0.0000 0.0572 ( 6416 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0558 -22.0558 -8.5127 -8.5127 1.0675 1.0675 2.1255 2.1255 3.8024 3.8024 3.8207 3.8207 6.5954 6.5954 6.6112 6.6112 7.3647 7.3647 k = 0.0000 0.0000 0.0457 ( 6420 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0557 -22.0557 -8.5150 -8.5150 1.1269 1.1269 2.0571 2.0571 3.8018 3.8018 3.8201 3.8201 6.5936 6.5936 6.6095 6.6095 7.3993 7.3993 k = 0.0000 0.0000 0.0343 ( 6424 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0556 -22.0556 -8.5168 -8.5168 1.1802 1.1802 1.9968 1.9968 3.8012 3.8012 3.8196 3.8196 6.5921 6.5921 6.6080 6.6080 7.4268 7.4268 k = 0.0000 0.0000 0.0229 ( 6421 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0555 -22.0555 -8.5181 -8.5181 1.2239 1.2239 1.9481 1.9481 3.8009 3.8009 3.8192 3.8192 6.5911 6.5911 6.6070 6.6070 7.4468 7.4468 k = 0.0000 0.0000 0.0114 ( 6421 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0554 -22.0554 -8.5189 -8.5189 1.2532 1.2532 1.9158 1.9158 3.8006 3.8006 3.8190 3.8190 6.5905 6.5905 6.6064 6.6064 7.4589 7.4589 k = 0.0000 0.0000 0.0000 ( 6413 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0554 -22.0554 -8.5192 -8.5192 1.2637 1.2637 1.9043 1.9043 3.8005 3.8005 3.8189 3.8189 6.5903 6.5903 6.6062 6.6062 7.4629 7.4629 k = 0.0000 0.0000 0.0000 ( 6413 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3737 -45.3737 -22.6808 -22.6808 -22.5526 -22.5526 -22.0554 -22.0554 -8.5192 -8.5192 1.2637 1.2637 1.9043 1.9043 3.8005 3.8005 3.8189 3.8189 6.5903 6.5903 6.6062 6.6062 7.4629 7.4629 k =-0.0100 0.0058 0.0000 ( 6421 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6808 -22.6808 -22.5526 -22.5526 -22.0554 -22.0554 -8.5189 -8.5189 1.2645 1.2645 1.9039 1.9039 3.7997 3.7997 3.8181 3.8181 6.5899 6.5899 6.6050 6.6050 7.4623 7.4623 k =-0.0200 0.0116 0.0000 ( 6427 PWs) bands (ev): -50.4341 -50.4341 -45.6616 -45.6616 -45.3740 -45.3740 -22.6808 -22.6808 -22.5527 -22.5527 -22.0554 -22.0554 -8.5180 -8.5180 1.2670 1.2670 1.9027 1.9027 3.7973 3.7973 3.8157 3.8157 6.5889 6.5889 6.6015 6.6015 7.4603 7.4603 k =-0.0300 0.0174 0.0000 ( 6431 PWs) bands (ev): -50.4340 -50.4340 -45.6614 -45.6614 -45.3743 -45.3743 -22.6809 -22.6809 -22.5527 -22.5527 -22.0554 -22.0554 -8.5165 -8.5165 1.2710 1.2710 1.9007 1.9007 3.7933 3.7933 3.8116 3.8116 6.5872 6.5872 6.5956 6.5956 7.4571 7.4571 k =-0.0400 0.0232 0.0000 ( 6433 PWs) bands (ev): -50.4339 -50.4339 -45.6610 -45.6610 -45.3748 -45.3748 -22.6809 -22.6809 -22.5528 -22.5528 -22.0553 -22.0553 -8.5143 -8.5143 1.2767 1.2767 1.8979 1.8979 3.7878 3.7878 3.8059 3.8059 6.5847 6.5847 6.5875 6.5875 7.4526 7.4526 k =-0.0500 0.0290 0.0000 ( 6443 PWs) bands (ev): -50.4338 -50.4338 -45.6606 -45.6606 -45.3755 -45.3755 -22.6811 -22.6811 -22.5529 -22.5529 -22.0553 -22.0553 -8.5116 -8.5116 1.2840 1.2840 1.8943 1.8943 3.7807 3.7807 3.7986 3.7986 6.5771 6.5771 6.5817 6.5817 7.4468 7.4468 k =-0.0600 0.0349 0.0000 ( 6435 PWs) bands (ev): -50.4336 -50.4336 -45.6601 -45.6601 -45.3762 -45.3762 -22.6812 -22.6812 -22.5531 -22.5531 -22.0552 -22.0552 -8.5083 -8.5083 1.2928 1.2928 1.8899 1.8899 3.7721 3.7721 3.7899 3.7899 6.5647 6.5647 6.5779 6.5779 7.4397 7.4397 k =-0.0700 0.0407 0.0000 ( 6431 PWs) bands (ev): -50.4335 -50.4335 -45.6595 -45.6595 -45.3771 -45.3771 -22.6813 -22.6813 -22.5532 -22.5532 -22.0551 -22.0551 -8.5045 -8.5045 1.3033 1.3033 1.8846 1.8846 3.7621 3.7621 3.7797 3.7797 6.5503 6.5503 6.5736 6.5736 7.4315 7.4315 k =-0.0800 0.0465 0.0000 ( 6421 PWs) bands (ev): -50.4333 -50.4333 -45.6587 -45.6587 -45.3782 -45.3782 -22.6815 -22.6815 -22.5534 -22.5534 -22.0550 -22.0550 -8.5000 -8.5000 1.3153 1.3153 1.8786 1.8786 3.7507 3.7507 3.7681 3.7681 6.5341 6.5341 6.5686 6.5686 7.4220 7.4220 k =-0.0900 0.0523 0.0000 ( 6419 PWs) bands (ev): -50.4330 -50.4330 -45.6579 -45.6579 -45.3793 -45.3793 -22.6817 -22.6817 -22.5536 -22.5536 -22.0549 -22.0549 -8.4951 -8.4951 1.3288 1.3288 1.8716 1.8716 3.7381 3.7381 3.7552 3.7552 6.5161 6.5161 6.5631 6.5631 7.4114 7.4114 k =-0.1000 0.0581 0.0000 ( 6419 PWs) bands (ev): -50.4328 -50.4328 -45.6570 -45.6570 -45.3806 -45.3806 -22.6819 -22.6819 -22.5538 -22.5538 -22.0548 -22.0548 -8.4896 -8.4896 1.3439 1.3439 1.8639 1.8639 3.7242 3.7242 3.7412 3.7412 6.4967 6.4967 6.5571 6.5571 7.3997 7.3997 k =-0.1100 0.0639 0.0000 ( 6427 PWs) bands (ev): -50.4325 -50.4325 -45.6560 -45.6560 -45.3821 -45.3821 -22.6821 -22.6821 -22.5540 -22.5540 -22.0547 -22.0547 -8.4836 -8.4836 1.3604 1.3604 1.8552 1.8552 3.7092 3.7092 3.7260 3.7260 6.4759 6.4759 6.5506 6.5506 7.3868 7.3868 k =-0.1200 0.0697 0.0000 ( 6431 PWs) bands (ev): -50.4322 -50.4322 -45.6549 -45.6549 -45.3836 -45.3836 -22.6824 -22.6824 -22.5543 -22.5543 -22.0545 -22.0545 -8.4771 -8.4771 1.3784 1.3784 1.8458 1.8458 3.6932 3.6932 3.7097 3.7097 6.4539 6.4539 6.5436 6.5436 7.3729 7.3729 k =-0.1300 0.0755 0.0000 ( 6429 PWs) bands (ev): -50.4319 -50.4319 -45.6537 -45.6537 -45.3853 -45.3853 -22.6826 -22.6826 -22.5546 -22.5546 -22.0544 -22.0544 -8.4701 -8.4701 1.3978 1.3978 1.8354 1.8354 3.6762 3.6762 3.6926 3.6926 6.4309 6.4309 6.5361 6.5361 7.3579 7.3579 k =-0.1400 0.0813 0.0000 ( 6431 PWs) bands (ev): -50.4316 -50.4316 -45.6524 -45.6524 -45.3871 -45.3871 -22.6829 -22.6829 -22.5549 -22.5549 -22.0542 -22.0542 -8.4627 -8.4627 1.4186 1.4186 1.8242 1.8242 3.6584 3.6584 3.6746 3.6746 6.4070 6.4070 6.5283 6.5283 7.3420 7.3420 k =-0.1500 0.0871 0.0000 ( 6433 PWs) bands (ev): -50.4312 -50.4312 -45.6510 -45.6510 -45.3891 -45.3891 -22.6832 -22.6832 -22.5552 -22.5552 -22.0541 -22.0541 -8.4548 -8.4548 1.4407 1.4407 1.8122 1.8122 3.6398 3.6398 3.6559 3.6559 6.3825 6.3825 6.5202 6.5202 7.3251 7.3251 k =-0.1600 0.0930 0.0000 ( 6429 PWs) bands (ev): -50.4309 -50.4309 -45.6495 -45.6495 -45.3911 -45.3911 -22.6835 -22.6835 -22.5555 -22.5555 -22.0539 -22.0539 -8.4466 -8.4466 1.4642 1.4642 1.7993 1.7993 3.6206 3.6206 3.6366 3.6366 6.3575 6.3575 6.5117 6.5117 7.3074 7.3074 k =-0.1700 0.0988 0.0000 ( 6437 PWs) bands (ev): -50.4305 -50.4305 -45.6479 -45.6479 -45.3933 -45.3933 -22.6838 -22.6838 -22.5558 -22.5558 -22.0537 -22.0537 -8.4380 -8.4380 1.4888 1.4888 1.7856 1.7856 3.6008 3.6008 3.6168 3.6168 6.3322 6.3322 6.5030 6.5030 7.2888 7.2888 k =-0.1800 0.1046 0.0000 ( 6435 PWs) bands (ev): -50.4301 -50.4301 -45.6463 -45.6463 -45.3956 -45.3956 -22.6841 -22.6841 -22.5561 -22.5561 -22.0536 -22.0536 -8.4291 -8.4291 1.5147 1.5147 1.7711 1.7711 3.5805 3.5805 3.5966 3.5966 6.3068 6.3068 6.4941 6.4941 7.2694 7.2694 k =-0.1900 0.1104 0.0000 ( 6437 PWs) bands (ev): -50.4297 -50.4297 -45.6445 -45.6445 -45.3980 -45.3980 -22.6845 -22.6845 -22.5565 -22.5565 -22.0534 -22.0534 -8.4199 -8.4199 1.5417 1.5417 1.7558 1.7558 3.5599 3.5599 3.5761 3.5761 6.2813 6.2813 6.4849 6.4849 7.2492 7.2492 k =-0.2000 0.1162 0.0000 ( 6433 PWs) bands (ev): -50.4293 -50.4293 -45.6426 -45.6426 -45.4005 -45.4005 -22.6848 -22.6848 -22.5568 -22.5568 -22.0532 -22.0532 -8.4104 -8.4104 1.5698 1.5698 1.7398 1.7398 3.5390 3.5390 3.5554 3.5554 6.2560 6.2560 6.4757 6.4757 7.2283 7.2283 k =-0.2100 0.1220 0.0000 ( 6427 PWs) bands (ev): -50.4289 -50.4289 -45.6407 -45.6407 -45.4031 -45.4031 -22.6852 -22.6852 -22.5572 -22.5572 -22.0530 -22.0530 -8.4006 -8.4006 1.5988 1.5988 1.7231 1.7231 3.5179 3.5179 3.5347 3.5347 6.2309 6.2309 6.4663 6.4663 7.2068 7.2068 k =-0.2200 0.1278 0.0000 ( 6437 PWs) bands (ev): -50.4285 -50.4285 -45.6387 -45.6387 -45.4058 -45.4058 -22.6855 -22.6855 -22.5576 -22.5576 -22.0528 -22.0528 -8.3907 -8.3907 1.6288 1.6288 1.7058 1.7058 3.4967 3.4967 3.5139 3.5139 6.2063 6.2063 6.4568 6.4568 7.1847 7.1847 k =-0.2300 0.1336 0.0000 ( 6435 PWs) bands (ev): -50.4280 -50.4280 -45.6366 -45.6366 -45.4086 -45.4086 -22.6859 -22.6859 -22.5579 -22.5579 -22.0526 -22.0526 -8.3806 -8.3806 1.6595 1.6595 1.6879 1.6879 3.4754 3.4754 3.4932 3.4932 6.1821 6.1821 6.4473 6.4473 7.1621 7.1621 k =-0.2400 0.1394 0.0000 ( 6435 PWs) bands (ev): -50.4276 -50.4276 -45.6344 -45.6344 -45.4115 -45.4115 -22.6862 -22.6862 -22.5583 -22.5583 -22.0524 -22.0524 -8.3704 -8.3704 1.6693 1.6693 1.6911 1.6911 3.4543 3.4543 3.4727 3.4727 6.1586 6.1586 6.4379 6.4379 7.1389 7.1389 k =-0.2500 0.1452 0.0000 ( 6431 PWs) bands (ev): -50.4272 -50.4272 -45.6321 -45.6321 -45.4145 -45.4145 -22.6866 -22.6866 -22.5587 -22.5587 -22.0522 -22.0522 -8.3601 -8.3601 1.6504 1.6504 1.7233 1.7233 3.4333 3.4333 3.4525 3.4525 6.1357 6.1357 6.4284 6.4284 7.1154 7.1154 k =-0.2600 0.1511 0.0000 ( 6437 PWs) bands (ev): -50.4267 -50.4267 -45.6297 -45.6297 -45.4175 -45.4175 -22.6870 -22.6870 -22.5590 -22.5590 -22.0520 -22.0520 -8.3498 -8.3498 1.6311 1.6311 1.7560 1.7560 3.4125 3.4125 3.4326 3.4326 6.1137 6.1137 6.4191 6.4191 7.0915 7.0915 k =-0.2700 0.1569 0.0000 ( 6441 PWs) bands (ev): -50.4263 -50.4263 -45.6273 -45.6273 -45.4207 -45.4207 -22.6873 -22.6873 -22.5594 -22.5594 -22.0518 -22.0518 -8.3395 -8.3395 1.6116 1.6116 1.7892 1.7892 3.3920 3.3920 3.4131 3.4131 6.0924 6.0924 6.4098 6.4098 7.0673 7.0673 k =-0.2800 0.1627 0.0000 ( 6437 PWs) bands (ev): -50.4259 -50.4259 -45.6248 -45.6248 -45.4238 -45.4238 -22.6877 -22.6877 -22.5597 -22.5597 -22.0516 -22.0516 -8.3292 -8.3292 1.5918 1.5918 1.8227 1.8227 3.3719 3.3719 3.3941 3.3941 6.0721 6.0721 6.4007 6.4007 7.0428 7.0428 k =-0.2900 0.1685 0.0000 ( 6438 PWs) bands (ev): -50.4254 -50.4254 -45.6223 -45.6223 -45.4271 -45.4271 -22.6880 -22.6880 -22.5601 -22.5601 -22.0514 -22.0514 -8.3189 -8.3189 1.5719 1.5719 1.8564 1.8564 3.3522 3.3522 3.3756 3.3756 6.0526 6.0526 6.3918 6.3918 7.0182 7.0182 k =-0.3000 0.1743 0.0000 ( 6434 PWs) bands (ev): -50.4250 -50.4250 -45.6197 -45.6197 -45.4303 -45.4303 -22.6884 -22.6884 -22.5604 -22.5604 -22.0512 -22.0512 -8.3089 -8.3089 1.5519 1.5519 1.8901 1.8901 3.3330 3.3330 3.3577 3.3577 6.0342 6.0342 6.3831 6.3831 6.9936 6.9936 k =-0.3100 0.1801 0.0000 ( 6438 PWs) bands (ev): -50.4246 -50.4246 -45.6170 -45.6170 -45.4337 -45.4337 -22.6887 -22.6887 -22.5608 -22.5608 -22.0510 -22.0510 -8.2989 -8.2989 1.5321 1.5321 1.9238 1.9238 3.3144 3.3144 3.3404 3.3404 6.0167 6.0167 6.3746 6.3746 6.9689 6.9689 k =-0.3200 0.1859 0.0000 ( 6446 PWs) bands (ev): -50.4242 -50.4242 -45.6143 -45.6143 -45.4370 -45.4370 -22.6891 -22.6891 -22.5611 -22.5611 -22.0508 -22.0508 -8.2892 -8.2892 1.5125 1.5125 1.9572 1.9572 3.2964 3.2964 3.3237 3.3237 6.0002 6.0002 6.3664 6.3664 6.9444 6.9444 k =-0.3300 0.1917 0.0000 ( 6446 PWs) bands (ev): -50.4238 -50.4238 -45.6115 -45.6115 -45.4404 -45.4404 -22.6894 -22.6894 -22.5614 -22.5614 -22.0506 -22.0506 -8.2797 -8.2797 1.4932 1.4932 1.9903 1.9903 3.2791 3.2791 3.3078 3.3078 5.9848 5.9848 6.3585 6.3585 6.9200 6.9200 k =-0.3400 0.1975 0.0000 ( 6446 PWs) bands (ev): -50.4235 -50.4235 -45.6088 -45.6088 -45.4437 -45.4437 -22.6897 -22.6897 -22.5617 -22.5617 -22.0505 -22.0505 -8.2705 -8.2705 1.4743 1.4743 2.0228 2.0228 3.2626 3.2626 3.2926 3.2926 5.9703 5.9703 6.3509 6.3509 6.8960 6.8960 k =-0.3500 0.2033 0.0000 ( 6454 PWs) bands (ev): -50.4231 -50.4231 -45.6060 -45.6060 -45.4471 -45.4471 -22.6900 -22.6900 -22.5620 -22.5620 -22.0503 -22.0503 -8.2617 -8.2617 1.4559 1.4559 2.0546 2.0546 3.2468 3.2468 3.2782 3.2782 5.9569 5.9569 6.3436 6.3436 6.8724 6.8724 k =-0.3600 0.2092 0.0000 ( 6458 PWs) bands (ev): -50.4228 -50.4228 -45.6032 -45.6032 -45.4504 -45.4504 -22.6903 -22.6903 -22.5623 -22.5623 -22.0501 -22.0501 -8.2531 -8.2531 1.4381 1.4381 2.0855 2.0855 3.2318 3.2318 3.2645 3.2645 5.9444 5.9444 6.3367 6.3367 6.8494 6.8494 k =-0.3700 0.2150 0.0000 ( 6460 PWs) bands (ev): -50.4224 -50.4224 -45.6005 -45.6005 -45.4537 -45.4537 -22.6905 -22.6905 -22.5626 -22.5626 -22.0500 -22.0500 -8.2450 -8.2450 1.4210 1.4210 2.1154 2.1154 3.2176 3.2176 3.2517 3.2517 5.9330 5.9330 6.3302 6.3302 6.8271 6.8271 k =-0.3800 0.2208 0.0000 ( 6456 PWs) bands (ev): -50.4221 -50.4221 -45.5977 -45.5977 -45.4569 -45.4569 -22.6908 -22.6908 -22.5628 -22.5628 -22.0498 -22.0498 -8.2374 -8.2374 1.4048 1.4048 2.1440 2.1440 3.2044 3.2044 3.2398 3.2398 5.9225 5.9225 6.3240 6.3240 6.8055 6.8055 k =-0.3900 0.2266 0.0000 ( 6462 PWs) bands (ev): -50.4218 -50.4218 -45.5950 -45.5950 -45.4601 -45.4601 -22.6910 -22.6910 -22.5630 -22.5630 -22.0497 -22.0497 -8.2302 -8.2302 1.3895 1.3895 2.1713 2.1713 3.1921 3.1921 3.2287 3.2287 5.9130 5.9130 6.3183 6.3183 6.7850 6.7850 k =-0.4000 0.2324 0.0000 ( 6462 PWs) bands (ev): -50.4216 -50.4216 -45.5924 -45.5924 -45.4631 -45.4631 -22.6912 -22.6912 -22.5633 -22.5633 -22.0496 -22.0496 -8.2235 -8.2235 1.3751 1.3751 2.1969 2.1969 3.1808 3.1808 3.2186 3.2186 5.9044 5.9044 6.3131 6.3131 6.7656 6.7656 k =-0.4100 0.2382 0.0000 ( 6466 PWs) bands (ev): -50.4213 -50.4213 -45.5899 -45.5899 -45.4660 -45.4660 -22.6914 -22.6914 -22.5635 -22.5635 -22.0495 -22.0495 -8.2174 -8.2174 1.3619 1.3619 2.2207 2.2207 3.1705 3.1705 3.2093 3.2093 5.8967 5.8967 6.3083 6.3083 6.7474 6.7474 k =-0.4200 0.2440 0.0000 ( 6470 PWs) bands (ev): -50.4211 -50.4211 -45.5875 -45.5875 -45.4688 -45.4688 -22.6916 -22.6916 -22.5636 -22.5636 -22.0494 -22.0494 -8.2118 -8.2118 1.3499 1.3499 2.2426 2.2426 3.1612 3.1612 3.2010 3.2010 5.8899 5.8899 6.3039 6.3039 6.7306 6.7306 k =-0.4300 0.2498 0.0000 ( 6468 PWs) bands (ev): -50.4209 -50.4209 -45.5853 -45.5853 -45.4713 -45.4713 -22.6918 -22.6918 -22.5638 -22.5638 -22.0493 -22.0493 -8.2068 -8.2068 1.3391 1.3391 2.2623 2.2623 3.1529 3.1529 3.1936 3.1936 5.8839 5.8839 6.3001 6.3001 6.7154 6.7154 k =-0.4400 0.2556 0.0000 ( 6466 PWs) bands (ev): -50.4207 -50.4207 -45.5832 -45.5832 -45.4737 -45.4737 -22.6919 -22.6919 -22.5639 -22.5639 -22.0492 -22.0492 -8.2025 -8.2025 1.3295 1.3295 2.2798 2.2798 3.1457 3.1457 3.1872 3.1872 5.8788 5.8788 6.2967 6.2967 6.7019 6.7019 k =-0.4500 0.2614 0.0000 ( 6466 PWs) bands (ev): -50.4206 -50.4206 -45.5814 -45.5814 -45.4757 -45.4757 -22.6920 -22.6920 -22.5640 -22.5640 -22.0491 -22.0491 -8.1987 -8.1987 1.3214 1.3214 2.2948 2.2948 3.1396 3.1396 3.1817 3.1817 5.8745 5.8745 6.2938 6.2938 6.6903 6.6903 k =-0.4600 0.2673 0.0000 ( 6448 PWs) bands (ev): -50.4205 -50.4205 -45.5799 -45.5799 -45.4775 -45.4775 -22.6921 -22.6921 -22.5641 -22.5641 -22.0491 -22.0491 -8.1956 -8.1956 1.3147 1.3147 2.3073 2.3073 3.1346 3.1346 3.1773 3.1773 5.8710 5.8710 6.2915 6.2915 6.6806 6.6806 k =-0.4700 0.2731 0.0000 ( 6452 PWs) bands (ev): -50.4204 -50.4204 -45.5786 -45.5786 -45.4789 -45.4789 -22.6922 -22.6922 -22.5642 -22.5642 -22.0490 -22.0490 -8.1932 -8.1932 1.3094 1.3094 2.3172 2.3172 3.1307 3.1307 3.1738 3.1738 5.8683 5.8683 6.2896 6.2896 6.6729 6.6729 k =-0.4800 0.2789 0.0000 ( 6448 PWs) bands (ev): -50.4203 -50.4203 -45.5777 -45.5777 -45.4799 -45.4799 -22.6923 -22.6923 -22.5643 -22.5643 -22.0490 -22.0490 -8.1915 -8.1915 1.3056 1.3056 2.3242 2.3242 3.1278 3.1278 3.1713 3.1713 5.8664 5.8664 6.2883 6.2883 6.6674 6.6674 k =-0.4900 0.2847 0.0000 ( 6450 PWs) bands (ev): -50.4203 -50.4203 -45.5771 -45.5771 -45.4805 -45.4805 -22.6923 -22.6923 -22.5643 -22.5643 -22.0490 -22.0490 -8.1905 -8.1905 1.3033 1.3033 2.3285 2.3285 3.1262 3.1262 3.1698 3.1698 5.8653 5.8653 6.2875 6.2875 6.6640 6.6640 k =-0.5000 0.2905 0.0000 ( 6444 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5643 -22.5643 -22.0490 -22.0490 -8.1901 -8.1901 1.3026 1.3026 2.3300 2.3300 3.1256 3.1256 3.1693 3.1693 5.8649 5.8649 6.2873 6.2873 6.6629 6.6629 k =-0.5000 0.2905 0.0000 ( 6444 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5643 -22.5643 -22.0490 -22.0490 -8.1901 -8.1901 1.3026 1.3026 2.3300 2.3300 3.1256 3.1256 3.1693 3.1693 5.8649 5.8649 6.2873 6.2873 6.6629 6.6629 k =-0.4943 0.3003-0.0000 ( 6442 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4808 -45.4808 -22.6923 -22.6923 -22.5643 -22.5643 -22.0490 -22.0490 -8.1900 -8.1900 1.3033 1.3033 2.3303 2.3303 3.1066 3.1066 3.1869 3.1869 5.8649 5.8649 6.2858 6.2858 6.6643 6.6643 k =-0.4886 0.3102-0.0000 ( 6448 PWs) bands (ev): -50.4202 -50.4202 -45.5767 -45.5767 -45.4810 -45.4810 -22.6923 -22.6923 -22.5643 -22.5643 -22.0489 -22.0489 -8.1897 -8.1897 1.3054 1.3054 2.3311 2.3311 3.0738 3.0738 3.2156 3.2156 5.8649 5.8649 6.2815 6.2815 6.6686 6.6686 k =-0.4829 0.3200-0.0000 ( 6442 PWs) bands (ev): -50.4202 -50.4202 -45.5763 -45.5763 -45.4814 -45.4814 -22.6923 -22.6923 -22.5643 -22.5643 -22.0489 -22.0489 -8.1892 -8.1892 1.3091 1.3091 2.3326 2.3326 3.0378 3.0378 3.2448 3.2448 5.8648 5.8648 6.2745 6.2745 6.6756 6.6756 k =-0.4772 0.3298-0.0000 ( 6450 PWs) bands (ev): -50.4202 -50.4202 -45.5759 -45.5759 -45.4819 -45.4819 -22.6923 -22.6923 -22.5644 -22.5644 -22.0489 -22.0489 -8.1885 -8.1885 1.3141 1.3141 2.3347 2.3347 2.9999 2.9999 3.2731 3.2731 5.8648 5.8648 6.2648 6.2648 6.6856 6.6856 k =-0.4714 0.3396-0.0000 ( 6444 PWs) bands (ev): -50.4201 -50.4201 -45.5753 -45.5753 -45.4826 -45.4826 -22.6923 -22.6923 -22.5644 -22.5644 -22.0489 -22.0489 -8.1877 -8.1877 1.3206 1.3206 2.3373 2.3373 2.9606 2.9606 3.3003 3.3003 5.8648 5.8648 6.2527 6.2527 6.6983 6.6983 k =-0.4657 0.3495-0.0000 ( 6448 PWs) bands (ev): -50.4201 -50.4201 -45.5746 -45.5746 -45.4834 -45.4834 -22.6924 -22.6924 -22.5644 -22.5644 -22.0489 -22.0489 -8.1866 -8.1866 1.3285 1.3285 2.3405 2.3405 2.9199 2.9199 3.3262 3.3262 5.8647 5.8647 6.2383 6.2383 6.7139 6.7139 k =-0.4600 0.3593-0.0000 ( 6452 PWs) bands (ev): -50.4200 -50.4200 -45.5737 -45.5737 -45.4843 -45.4843 -22.6924 -22.6924 -22.5644 -22.5644 -22.0489 -22.0489 -8.1854 -8.1854 1.3378 1.3378 2.3442 2.3442 2.8781 2.8781 3.3508 3.3508 5.8647 5.8647 6.2220 6.2220 6.7323 6.7323 k =-0.4543 0.3691-0.0000 ( 6452 PWs) bands (ev): -50.4200 -50.4200 -45.5727 -45.5727 -45.4854 -45.4854 -22.6924 -22.6924 -22.5645 -22.5645 -22.0488 -22.0488 -8.1840 -8.1840 1.3486 1.3486 2.3484 2.3484 2.8351 2.8351 3.3742 3.3742 5.8646 5.8646 6.2039 6.2039 6.7536 6.7536 k =-0.4486 0.3790-0.0000 ( 6456 PWs) bands (ev): -50.4199 -50.4199 -45.5716 -45.5716 -45.4866 -45.4866 -22.6924 -22.6924 -22.5645 -22.5645 -22.0488 -22.0488 -8.1825 -8.1825 1.3607 1.3607 2.3531 2.3531 2.7911 2.7911 3.3963 3.3963 5.8646 5.8646 6.1845 6.1845 6.7777 6.7777 k =-0.4429 0.3888-0.0000 ( 6456 PWs) bands (ev): -50.4199 -50.4199 -45.5704 -45.5704 -45.4879 -45.4879 -22.6924 -22.6924 -22.5646 -22.5646 -22.0488 -22.0488 -8.1808 -8.1808 1.3743 1.3743 2.3582 2.3582 2.7461 2.7461 3.4171 3.4171 5.8646 5.8646 6.1639 6.1639 6.8046 6.8046 k =-0.4372 0.3986-0.0000 ( 6454 PWs) bands (ev): -50.4198 -50.4198 -45.5690 -45.5690 -45.4894 -45.4894 -22.6924 -22.6924 -22.5646 -22.5646 -22.0487 -22.0487 -8.1791 -8.1791 1.3892 1.3892 2.3636 2.3636 2.7004 2.7004 3.4367 3.4367 5.8647 5.8647 6.1426 6.1426 6.8343 6.8343 k =-0.4315 0.4084-0.0000 ( 6454 PWs) bands (ev): -50.4197 -50.4197 -45.5676 -45.5676 -45.4910 -45.4910 -22.6924 -22.6924 -22.5647 -22.5647 -22.0487 -22.0487 -8.1772 -8.1772 1.4055 1.4055 2.3694 2.3694 2.6540 2.6540 3.4550 3.4550 5.8647 5.8647 6.1207 6.1207 6.8669 6.8669 k =-0.4258 0.4183-0.0000 ( 6444 PWs) bands (ev): -50.4196 -50.4196 -45.5660 -45.5660 -45.4927 -45.4927 -22.6925 -22.6925 -22.5647 -22.5647 -22.0487 -22.0487 -8.1753 -8.1753 1.4232 1.4232 2.3756 2.3756 2.6069 2.6069 3.4721 3.4721 5.8649 5.8649 6.0986 6.0986 6.9023 6.9023 k =-0.4200 0.4281-0.0000 ( 6452 PWs) bands (ev): -50.4195 -50.4195 -45.5643 -45.5643 -45.4946 -45.4946 -22.6925 -22.6925 -22.5648 -22.5648 -22.0486 -22.0486 -8.1733 -8.1733 1.4422 1.4422 2.3819 2.3819 2.5595 2.5595 3.4879 3.4879 5.8650 5.8650 6.0765 6.0765 6.9406 6.9406 k =-0.4143 0.4379-0.0000 ( 6452 PWs) bands (ev): -50.4195 -50.4195 -45.5624 -45.5624 -45.4966 -45.4966 -22.6925 -22.6925 -22.5648 -22.5648 -22.0486 -22.0486 -8.1712 -8.1712 1.4626 1.4626 2.3884 2.3884 2.5117 2.5117 3.5026 3.5026 5.8653 5.8653 6.0547 6.0547 6.9816 6.9816 k =-0.4086 0.4478-0.0000 ( 6452 PWs) bands (ev): -50.4194 -50.4194 -45.5605 -45.5605 -45.4987 -45.4987 -22.6925 -22.6925 -22.5649 -22.5649 -22.0486 -22.0486 -8.1692 -8.1692 1.4842 1.4842 2.3950 2.3950 2.4637 2.4637 3.5162 3.5162 5.8656 5.8656 6.0334 6.0334 7.0255 7.0255 k =-0.4029 0.4576-0.0000 ( 6448 PWs) bands (ev): -50.4193 -50.4193 -45.5584 -45.5584 -45.5008 -45.5008 -22.6925 -22.6925 -22.5649 -22.5649 -22.0485 -22.0485 -8.1671 -8.1671 1.5072 1.5072 2.4015 2.4015 2.4159 2.4159 3.5285 3.5285 5.8659 5.8659 6.0128 6.0128 7.0723 7.0723 k =-0.3972 0.4674-0.0000 ( 6444 PWs) bands (ev): -50.4192 -50.4192 -45.5563 -45.5563 -45.5031 -45.5031 -22.6926 -22.6926 -22.5649 -22.5649 -22.0485 -22.0485 -8.1651 -8.1651 1.5314 1.5314 2.3675 2.3675 2.4086 2.4086 3.5397 3.5397 5.8664 5.8664 5.9931 5.9931 7.1218 7.1218 k =-0.3915 0.4773-0.0000 ( 6444 PWs) bands (ev): -50.4191 -50.4191 -45.5540 -45.5540 -45.5055 -45.5055 -22.6926 -22.6926 -22.5650 -22.5650 -22.0484 -22.0484 -8.1631 -8.1631 1.5569 1.5569 2.3198 2.3198 2.4151 2.4151 3.5498 3.5498 5.8670 5.8670 5.9745 5.9746 7.1742 7.1742 k =-0.3858 0.4871-0.0000 ( 6442 PWs) bands (ev): -50.4191 -50.4191 -45.5516 -45.5516 -45.5080 -45.5080 -22.6926 -22.6926 -22.5650 -22.5650 -22.0484 -22.0484 -8.1612 -8.1612 1.5836 1.5836 2.2724 2.2724 2.4215 2.4215 3.5588 3.5588 5.8677 5.8677 5.9572 5.9572 7.2294 7.2294 k =-0.3801 0.4969-0.0000 ( 6442 PWs) bands (ev): -50.4190 -50.4190 -45.5492 -45.5492 -45.5106 -45.5106 -22.6926 -22.6926 -22.5651 -22.5651 -22.0484 -22.0484 -8.1595 -8.1595 1.6115 1.6115 2.2256 2.2256 2.4275 2.4275 3.5667 3.5667 5.8684 5.8684 5.9413 5.9413 7.2875 7.2875 k =-0.3744 0.5067-0.0000 ( 6438 PWs) bands (ev): -50.4189 -50.4189 -45.5466 -45.5466 -45.5133 -45.5133 -22.6926 -22.6926 -22.5651 -22.5651 -22.0483 -22.0483 -8.1578 -8.1578 1.6406 1.6406 2.1794 2.1794 2.4333 2.4333 3.5736 3.5736 5.8693 5.8693 5.9269 5.9269 7.3483 7.3483 k =-0.3687 0.5166-0.0000 ( 6436 PWs) bands (ev): -50.4188 -50.4188 -45.5439 -45.5439 -45.5161 -45.5161 -22.6926 -22.6926 -22.5651 -22.5651 -22.0483 -22.0483 -8.1563 -8.1563 1.6709 1.6709 2.1339 2.1339 2.4386 2.4386 3.5794 3.5794 5.8703 5.8703 5.9141 5.9141 7.4120 7.4120 k =-0.3629 0.5264-0.0000 ( 6446 PWs) bands (ev): -50.4188 -50.4188 -45.5412 -45.5412 -45.5189 -45.5189 -22.6926 -22.6926 -22.5651 -22.5651 -22.0483 -22.0483 -8.1550 -8.1550 1.7023 1.7023 2.0894 2.0894 2.4433 2.4433 3.5842 3.5842 5.8713 5.8713 5.9030 5.9030 7.4785 7.4785 k =-0.3572 0.5362-0.0000 ( 6456 PWs) bands (ev): -50.4187 -50.4187 -45.5384 -45.5384 -45.5218 -45.5218 -22.6926 -22.6926 -22.5652 -22.5652 -22.0483 -22.0483 -8.1539 -8.1539 1.7347 1.7347 2.0459 2.0459 2.4474 2.4474 3.5880 3.5880 5.8721 5.8721 5.8939 5.8939 7.5478 7.5478 k =-0.3515 0.5461-0.0000 ( 6467 PWs) bands (ev): -50.4187 -50.4187 -45.5355 -45.5355 -45.5248 -45.5248 -22.6926 -22.6926 -22.5652 -22.5652 -22.0483 -22.0483 -8.1530 -8.1530 1.7683 1.7683 2.0036 2.0036 2.4507 2.4507 3.5908 3.5908 5.8726 5.8726 5.8872 5.8872 7.6200 7.6200 k =-0.3458 0.5559-0.0000 ( 6471 PWs) bands (ev): -50.4187 -50.4187 -45.5325 -45.5325 -45.5278 -45.5278 -22.6926 -22.6926 -22.5652 -22.5652 -22.0482 -22.0482 -8.1524 -8.1524 1.8029 1.8029 1.9626 1.9626 2.4532 2.4532 3.5928 3.5928 5.8718 5.8718 5.8836 5.8836 7.6949 7.6949 k =-0.3401 0.5657-0.0000 ( 6467 PWs) bands (ev): -50.4187 -50.4187 -45.5309 -45.5309 -45.5294 -45.5294 -22.6926 -22.6926 -22.5652 -22.5652 -22.0482 -22.0482 -8.1521 -8.1521 1.8384 1.8384 1.9231 1.9231 2.4547 2.4547 3.5939 3.5939 5.8700 5.8700 5.8831 5.8831 7.7727 7.7727 k =-0.3344 0.5755-0.0000 ( 6467 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0482 -22.0482 -8.1520 -8.1520 1.8734 1.8734 1.8865 1.8865 2.4552 2.4552 3.5941 3.5941 5.8684 5.8684 5.8843 5.8843 7.8331 7.8331 k =-0.3344 0.5755-0.0000 ( 6467 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0482 -22.0482 -8.1520 -8.1520 1.8734 1.8734 1.8865 1.8865 2.4552 2.4552 3.5941 3.5941 5.8684 5.8684 5.8843 5.8843 7.8331 7.8331 k =-0.3344 0.5755 0.0114 ( 6464 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0483 -22.0483 -8.1518 -8.1518 1.8741 1.8741 1.8871 1.8871 2.4487 2.4487 3.6012 3.6012 5.8638 5.8638 5.8797 5.8797 7.8371 7.8371 k =-0.3344 0.5755 0.0229 ( 6459 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0483 -22.0483 -8.1510 -8.1510 1.8759 1.8759 1.8890 1.8890 2.4299 2.4299 3.6220 3.6220 5.8502 5.8502 5.8660 5.8660 7.8489 7.8489 k =-0.3344 0.5755 0.0343 ( 6453 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0484 -22.0484 -8.1498 -8.1498 1.8790 1.8790 1.8921 1.8921 2.4000 2.4000 3.6551 3.6551 5.8280 5.8280 5.8436 5.8436 7.8681 7.8681 k =-0.3344 0.5755 0.0457 ( 6456 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0485 -22.0485 -8.1480 -8.1480 1.8834 1.8834 1.8964 1.8964 2.3609 2.3609 3.6986 3.6986 5.7978 5.7978 5.8132 5.8132 7.8940 7.8940 k =-0.3344 0.5755 0.0572 ( 6466 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0486 -22.0486 -8.1458 -8.1458 1.8889 1.8889 1.9020 1.9020 2.3144 2.3144 3.7507 3.7507 5.7605 5.7605 5.7756 5.7756 7.9259 7.9259 k =-0.3344 0.5755 0.0686 ( 6470 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0488 -22.0488 -8.1431 -8.1431 1.8956 1.8956 1.9087 1.9087 2.2624 2.2624 3.8096 3.8096 5.7168 5.7168 5.7317 5.7317 7.9628 7.9628 k =-0.3344 0.5755 0.0800 ( 6473 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0489 -22.0489 -8.1400 -8.1400 1.9036 1.9036 1.9167 1.9167 2.2064 2.2064 3.8736 3.8736 5.6677 5.6677 5.6823 5.6823 8.0038 8.0038 k =-0.3344 0.5755 0.0914 ( 6465 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0491 -22.0491 -8.1364 -8.1364 1.9126 1.9126 1.9257 1.9257 2.1477 2.1477 3.9416 3.9416 5.6141 5.6141 5.6284 5.6284 8.0481 8.0481 k =-0.3344 0.5755 0.1029 ( 6465 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0494 -22.0494 -8.1325 -8.1325 1.9228 1.9228 1.9359 1.9359 2.0871 2.0871 4.0125 4.0125 5.5567 5.5567 5.5707 5.5707 8.0949 8.0949 k =-0.3344 0.5755 0.1143 ( 6473 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0496 -22.0496 -8.1282 -8.1282 1.9340 1.9340 1.9471 1.9471 2.0257 2.0257 4.0854 4.0854 5.4964 5.4964 5.5102 5.5102 8.1433 8.1433 k =-0.3344 0.5755 0.1257 ( 6467 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5651 -22.5651 -22.0499 -22.0499 -8.1236 -8.1236 1.9459 1.9459 1.9581 1.9581 1.9656 1.9656 4.1596 4.1596 5.4338 5.4338 5.4473 5.4473 8.1927 8.1927 k =-0.3344 0.5755 0.1372 ( 6469 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5650 -22.5650 -22.0501 -22.0501 -8.1187 -8.1187 1.9017 1.9017 1.9599 1.9599 1.9730 1.9730 4.2345 4.2345 5.3696 5.3696 5.3829 5.3829 8.2425 8.2425 k =-0.3344 0.5755 0.1486 ( 6467 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5650 -22.5650 -22.0504 -22.0504 -8.1135 -8.1135 1.8408 1.8408 1.9740 1.9740 1.9872 1.9872 4.3096 4.3096 5.3043 5.3043 5.3173 5.3173 8.2922 8.2922 k =-0.3344 0.5755 0.1600 ( 6465 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5650 -22.5650 -22.0507 -22.0507 -8.1082 -8.1082 1.7808 1.7808 1.9891 1.9891 2.0023 2.0023 4.3846 4.3846 5.2384 5.2384 5.2512 5.2512 8.3412 8.3412 k =-0.3344 0.5755 0.1715 ( 6463 PWs) bands (ev): -50.4187 -50.4187 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5650 -22.5650 -22.0510 -22.0510 -8.1026 -8.1026 1.7220 1.7220 2.0050 2.0050 2.0183 2.0183 4.4589 4.4589 5.1723 5.1723 5.1850 5.1850 8.3894 8.3894 k =-0.3344 0.5755 0.1829 ( 6456 PWs) bands (ev): -50.4186 -50.4186 -45.5341 -45.5341 -45.5263 -45.5263 -22.6925 -22.6925 -22.5650 -22.5650 -22.0514 -22.0514 -8.0969 -8.0969 1.6649 1.6649 2.0216 2.0216 2.0349 2.0349 4.5322 4.5322 5.1066 5.1066 5.1191 5.1191 8.4362 8.4362 k =-0.3344 0.5755 0.1943 ( 6456 PWs) bands (ev): -50.4186 -50.4186 -45.5341 -45.5341 -45.5263 -45.5263 -22.6924 -22.6924 -22.5650 -22.5650 -22.0517 -22.0517 -8.0912 -8.0912 1.6095 1.6095 2.0388 2.0388 2.0522 2.0522 4.6042 4.6042 5.0414 5.0414 5.0538 5.0538 8.4814 8.4814 k =-0.3344 0.5755 0.2058 ( 6450 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5650 -22.5650 -22.0520 -22.0520 -8.0854 -8.0854 1.5561 1.5561 2.0566 2.0566 2.0700 2.0700 4.6745 4.6745 4.9773 4.9773 4.9896 4.9896 8.5248 8.5248 k =-0.3344 0.5755 0.2172 ( 6448 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5649 -22.5649 -22.0523 -22.0523 -8.0796 -8.0796 1.5049 1.5049 2.0747 2.0747 2.0882 2.0882 4.7428 4.7428 4.9146 4.9146 4.9267 4.9267 8.5663 8.5663 k =-0.3344 0.5755 0.2286 ( 6446 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5649 -22.5649 -22.0527 -22.0527 -8.0738 -8.0738 1.4561 1.4561 2.0932 2.0932 2.1067 2.1067 4.8082 4.8082 4.8541 4.8541 4.8656 4.8656 8.6056 8.6056 k =-0.3344 0.5755 0.2400 ( 6444 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5649 -22.5649 -22.0530 -22.0530 -8.0682 -8.0682 1.4097 1.4097 2.1118 2.1118 2.1254 2.1254 4.7936 4.7936 4.8062 4.8062 4.8734 4.8734 8.6426 8.6426 k =-0.3344 0.5755 0.2515 ( 6450 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5649 -22.5649 -22.0533 -22.0533 -8.0627 -8.0627 1.3660 1.3660 2.1304 2.1304 2.1441 2.1441 4.7370 4.7370 4.7493 4.7493 4.9338 4.9338 8.6772 8.6772 k =-0.3344 0.5755 0.2629 ( 6452 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5649 -22.5649 -22.0536 -22.0536 -8.0574 -8.0574 1.3251 1.3251 2.1488 2.1488 2.1626 2.1626 4.6827 4.6827 4.6949 4.6949 4.9914 4.9914 8.7093 8.7093 k =-0.3344 0.5755 0.2743 ( 6448 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5649 -22.5649 -22.0538 -22.0538 -8.0524 -8.0524 1.2870 1.2870 2.1669 2.1669 2.1807 2.1807 4.6312 4.6312 4.6435 4.6435 5.0456 5.0456 8.7390 8.7390 k =-0.3344 0.5755 0.2858 ( 6442 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5649 -22.5649 -22.0541 -22.0541 -8.0476 -8.0476 1.2518 1.2518 2.1844 2.1844 2.1984 2.1984 4.5829 4.5829 4.5951 4.5951 5.0962 5.0962 8.7661 8.7661 k =-0.3344 0.5755 0.2972 ( 6447 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5649 -22.5649 -22.0543 -22.0543 -8.0431 -8.0431 1.2198 1.2198 2.2012 2.2012 2.2152 2.2152 4.5380 4.5380 4.5502 4.5502 5.1429 5.1429 8.7907 8.7907 k =-0.3344 0.5755 0.3086 ( 6440 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5648 -22.5648 -22.0546 -22.0546 -8.0391 -8.0391 1.1909 1.1909 2.2170 2.2170 2.2311 2.2311 4.4968 4.4968 4.5091 4.5091 5.1854 5.1854 8.8126 8.8126 k =-0.3344 0.5755 0.3201 ( 6442 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5648 -22.5648 -22.0548 -22.0548 -8.0354 -8.0354 1.1652 1.1652 2.2317 2.2317 2.2459 2.2459 4.4596 4.4596 4.4720 4.4720 5.2235 5.2235 8.8320 8.8320 k =-0.3344 0.5755 0.3315 ( 6440 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6924 -22.6924 -22.5648 -22.5648 -22.0549 -22.0549 -8.0321 -8.0321 1.1428 1.1428 2.2449 2.2449 2.2592 2.2592 4.4267 4.4267 4.4391 4.4391 5.2570 5.2570 8.8488 8.8488 k =-0.3344 0.5755 0.3429 ( 6440 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6923 -22.6923 -22.5648 -22.5648 -22.0551 -22.0551 -8.0293 -8.0293 1.1238 1.1238 2.2566 2.2566 2.2709 2.2709 4.3984 4.3984 4.4108 4.4108 5.2857 5.2857 8.8630 8.8630 k =-0.3344 0.5755 0.3543 ( 6446 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6923 -22.6923 -22.5648 -22.5648 -22.0552 -22.0552 -8.0269 -8.0269 1.1081 1.1081 2.2664 2.2664 2.2808 2.2808 4.3749 4.3749 4.3873 4.3873 5.3095 5.3095 8.8746 8.8746 k =-0.3344 0.5755 0.3658 ( 6442 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6923 -22.6923 -22.5648 -22.5648 -22.0553 -22.0553 -8.0251 -8.0251 1.0959 1.0959 2.2743 2.2743 2.2887 2.2887 4.3563 4.3563 4.3688 4.3688 5.3281 5.3281 8.8836 8.8836 k =-0.3344 0.5755 0.3772 ( 6440 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6923 -22.6923 -22.5648 -22.5648 -22.0554 -22.0554 -8.0238 -8.0238 1.0872 1.0872 2.2800 2.2800 2.2945 2.2945 4.3429 4.3429 4.3555 4.3555 5.3415 5.3415 8.8900 8.8900 k =-0.3344 0.5755 0.3886 ( 6438 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6923 -22.6923 -22.5648 -22.5648 -22.0554 -22.0554 -8.0230 -8.0230 1.0819 1.0819 2.2835 2.2835 2.2980 2.2980 4.3348 4.3348 4.3474 4.3474 5.3496 5.3496 8.8938 8.8938 k =-0.3344 0.5755 0.4001 ( 6436 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6923 -22.6923 -22.5648 -22.5648 -22.0554 -22.0554 -8.0227 -8.0227 1.0801 1.0801 2.2846 2.2846 2.2991 2.2991 4.3321 4.3321 4.3447 4.3447 5.3522 5.3522 8.8951 8.8951 k =-0.3344 0.5755 0.4001 ( 6436 PWs) bands (ev): -50.4186 -50.4186 -45.5340 -45.5340 -45.5263 -45.5263 -22.6923 -22.6923 -22.5648 -22.5648 -22.0554 -22.0554 -8.0227 -8.0227 1.0801 1.0801 2.2846 2.2846 2.2991 2.2991 4.3321 4.3321 4.3447 4.3447 5.3522 5.3522 8.8951 8.8951 k =-0.3401 0.5657 0.4001 ( 6436 PWs) bands (ev): -50.4186 -50.4186 -45.5309 -45.5309 -45.5294 -45.5294 -22.6924 -22.6924 -22.5648 -22.5648 -22.0554 -22.0554 -8.0227 -8.0227 1.0798 1.0798 2.2452 2.2452 2.3404 2.3404 4.3172 4.3172 4.3612 4.3612 5.3521 5.3521 8.9097 8.9097 k =-0.3458 0.5559 0.4001 ( 6436 PWs) bands (ev): -50.4187 -50.4187 -45.5325 -45.5325 -45.5278 -45.5278 -22.6924 -22.6924 -22.5648 -22.5648 -22.0555 -22.0555 -8.0231 -8.0231 1.0780 1.0780 2.2056 2.2056 2.3845 2.3845 4.2934 4.2934 4.3903 4.3903 5.3524 5.3524 8.8821 8.8821 k =-0.3515 0.5461 0.4001 ( 6438 PWs) bands (ev): -50.4187 -50.4187 -45.5355 -45.5355 -45.5248 -45.5248 -22.6924 -22.6924 -22.5648 -22.5648 -22.0555 -22.0555 -8.0237 -8.0237 1.0747 1.0747 2.1669 2.1669 2.4305 2.4305 4.2704 4.2704 4.4219 4.4219 5.3530 5.3530 8.8553 8.8553 k =-0.3572 0.5362 0.4001 ( 6454 PWs) bands (ev): -50.4187 -50.4187 -45.5384 -45.5384 -45.5218 -45.5218 -22.6924 -22.6924 -22.5648 -22.5648 -22.0555 -22.0555 -8.0246 -8.0246 1.0701 1.0701 2.1291 2.1291 2.4782 2.4782 4.2483 4.2483 4.4559 4.4559 5.3541 5.3541 8.8297 8.8297 k =-0.3629 0.5264 0.4001 ( 6460 PWs) bands (ev): -50.4188 -50.4188 -45.5412 -45.5412 -45.5189 -45.5189 -22.6924 -22.6924 -22.5648 -22.5648 -22.0555 -22.0555 -8.0256 -8.0256 1.0643 1.0643 2.0923 2.0923 2.5274 2.5274 4.2271 4.2271 4.4918 4.4918 5.3557 5.3557 8.8055 8.8055 k =-0.3687 0.5166 0.4001 ( 6452 PWs) bands (ev): -50.4188 -50.4188 -45.5440 -45.5440 -45.5161 -45.5161 -22.6924 -22.6924 -22.5648 -22.5648 -22.0555 -22.0555 -8.0269 -8.0269 1.0576 1.0576 2.0566 2.0566 2.5780 2.5780 4.2067 4.2067 4.5294 4.5294 5.3576 5.3576 8.7824 8.7824 k =-0.3744 0.5067 0.4001 ( 6456 PWs) bands (ev): -50.4189 -50.4189 -45.5466 -45.5466 -45.5133 -45.5133 -22.6924 -22.6924 -22.5648 -22.5648 -22.0556 -22.0556 -8.0284 -8.0284 1.0499 1.0499 2.0220 2.0220 2.6296 2.6296 4.1873 4.1873 4.5683 4.5683 5.3599 5.3599 8.7605 8.7605 k =-0.3801 0.4969 0.4001 ( 6460 PWs) bands (ev): -50.4189 -50.4189 -45.5492 -45.5492 -45.5106 -45.5106 -22.6924 -22.6924 -22.5647 -22.5647 -22.0556 -22.0556 -8.0300 -8.0300 1.0416 1.0416 1.9886 1.9886 2.6822 2.6822 4.1688 4.1688 4.6084 4.6084 5.3626 5.3626 8.7398 8.7398 k =-0.3858 0.4871 0.4001 ( 6468 PWs) bands (ev): -50.4190 -50.4190 -45.5516 -45.5516 -45.5080 -45.5080 -22.6924 -22.6924 -22.5647 -22.5647 -22.0556 -22.0556 -8.0318 -8.0318 1.0327 1.0327 1.9564 1.9564 2.7354 2.7354 4.1512 4.1512 4.6492 4.6492 5.3658 5.3658 8.7201 8.7202 k =-0.3915 0.4773 0.4001 ( 6474 PWs) bands (ev): -50.4191 -50.4191 -45.5540 -45.5540 -45.5056 -45.5056 -22.6924 -22.6924 -22.5647 -22.5647 -22.0557 -22.0557 -8.0337 -8.0337 1.0234 1.0234 1.9255 1.9255 2.7891 2.7891 4.1345 4.1345 4.6904 4.6904 5.3694 5.3694 8.7016 8.7016 k =-0.3972 0.4674 0.4001 ( 6466 PWs) bands (ev): -50.4192 -50.4192 -45.5563 -45.5563 -45.5031 -45.5031 -22.6924 -22.6924 -22.5646 -22.5646 -22.0557 -22.0557 -8.0356 -8.0356 1.0138 1.0138 1.8959 1.8959 2.8430 2.8430 4.1187 4.1187 4.7316 4.7316 5.3735 5.3735 8.6841 8.6841 k =-0.4029 0.4576 0.4001 ( 6462 PWs) bands (ev): -50.4193 -50.4193 -45.5584 -45.5584 -45.5008 -45.5008 -22.6923 -22.6923 -22.5646 -22.5646 -22.0558 -22.0558 -8.0376 -8.0376 1.0041 1.0041 1.8677 1.8677 2.8968 2.8968 4.1038 4.1038 4.7725 4.7725 5.3782 5.3782 8.6677 8.6677 k =-0.4086 0.4478 0.4001 ( 6470 PWs) bands (ev): -50.4194 -50.4194 -45.5605 -45.5605 -45.4987 -45.4987 -22.6923 -22.6923 -22.5645 -22.5645 -22.0558 -22.0558 -8.0396 -8.0396 0.9943 0.9943 1.8409 1.8409 2.9502 2.9502 4.0897 4.0897 4.8128 4.8128 5.3834 5.3834 8.6522 8.6522 k =-0.4143 0.4379 0.4001 ( 6474 PWs) bands (ev): -50.4194 -50.4194 -45.5624 -45.5624 -45.4966 -45.4966 -22.6923 -22.6923 -22.5645 -22.5645 -22.0558 -22.0558 -8.0416 -8.0416 0.9845 0.9845 1.8155 1.8155 3.0029 3.0029 4.0766 4.0766 4.8519 4.8519 5.3892 5.3892 8.6378 8.6378 k =-0.4200 0.4281 0.4001 ( 6474 PWs) bands (ev): -50.4195 -50.4195 -45.5642 -45.5642 -45.4946 -45.4946 -22.6923 -22.6923 -22.5644 -22.5644 -22.0559 -22.0559 -8.0436 -8.0436 0.9749 0.9749 1.7916 1.7916 3.0546 3.0546 4.0643 4.0643 4.8896 4.8896 5.3956 5.3956 8.6244 8.6244 k =-0.4258 0.4183 0.4001 ( 6474 PWs) bands (ev): -50.4196 -50.4196 -45.5660 -45.5660 -45.4928 -45.4928 -22.6923 -22.6923 -22.5644 -22.5644 -22.0559 -22.0559 -8.0456 -8.0456 0.9656 0.9656 1.7692 1.7692 3.1050 3.1050 4.0528 4.0528 4.9255 4.9255 5.4028 5.4028 8.6119 8.6119 k =-0.4315 0.4084 0.4001 ( 6464 PWs) bands (ev): -50.4197 -50.4197 -45.5675 -45.5675 -45.4910 -45.4910 -22.6922 -22.6922 -22.5643 -22.5643 -22.0560 -22.0560 -8.0475 -8.0475 0.9566 0.9566 1.7484 1.7484 3.1537 3.1537 4.0423 4.0423 4.9593 4.9593 5.4106 5.4106 8.6002 8.6002 k =-0.4372 0.3986 0.4001 ( 6460 PWs) bands (ev): -50.4198 -50.4198 -45.5690 -45.5690 -45.4894 -45.4894 -22.6922 -22.6922 -22.5643 -22.5643 -22.0560 -22.0560 -8.0493 -8.0493 0.9481 0.9481 1.7291 1.7291 3.2003 3.2003 4.0326 4.0326 4.9906 4.9906 5.4190 5.4190 8.5723 8.5723 k =-0.4429 0.3888 0.4001 ( 6456 PWs) bands (ev): -50.4198 -50.4198 -45.5704 -45.5704 -45.4879 -45.4879 -22.6922 -22.6922 -22.5642 -22.5642 -22.0560 -22.0560 -8.0510 -8.0510 0.9400 0.9400 1.7114 1.7114 3.2446 3.2446 4.0237 4.0237 5.0191 5.0191 5.4281 5.4281 8.5335 8.5335 k =-0.4486 0.3790 0.4001 ( 6448 PWs) bands (ev): -50.4199 -50.4199 -45.5716 -45.5716 -45.4866 -45.4866 -22.6922 -22.6922 -22.5642 -22.5642 -22.0561 -22.0561 -8.0527 -8.0527 0.9326 0.9326 1.6954 1.6954 3.2860 3.2860 4.0157 4.0157 5.0447 5.0447 5.4376 5.4376 8.4963 8.4963 k =-0.4543 0.3691 0.4001 ( 6448 PWs) bands (ev): -50.4200 -50.4200 -45.5727 -45.5727 -45.4854 -45.4854 -22.6922 -22.6922 -22.5642 -22.5642 -22.0561 -22.0561 -8.0541 -8.0541 0.9257 0.9257 1.6810 1.6810 3.3243 3.3243 4.0086 4.0086 5.0673 5.0673 5.4474 5.4474 8.4614 8.4614 k =-0.4600 0.3593 0.4001 ( 6440 PWs) bands (ev): -50.4200 -50.4200 -45.5737 -45.5737 -45.4843 -45.4843 -22.6922 -22.6922 -22.5641 -22.5641 -22.0561 -22.0561 -8.0555 -8.0555 0.9196 0.9196 1.6682 1.6682 3.3591 3.3591 4.0023 4.0023 5.0869 5.0869 5.4572 5.4572 8.4292 8.4292 k =-0.4657 0.3495 0.4001 ( 6434 PWs) bands (ev): -50.4201 -50.4201 -45.5745 -45.5745 -45.4833 -45.4833 -22.6922 -22.6922 -22.5641 -22.5641 -22.0562 -22.0562 -8.0567 -8.0567 0.9142 0.9142 1.6571 1.6571 3.3901 3.3901 3.9968 3.9968 5.1034 5.1034 5.4667 5.4667 8.4001 8.4002 k =-0.4714 0.3396 0.4001 ( 6430 PWs) bands (ev): -50.4201 -50.4201 -45.5752 -45.5752 -45.4826 -45.4826 -22.6921 -22.6921 -22.5641 -22.5641 -22.0562 -22.0562 -8.0577 -8.0577 0.9095 0.9095 1.6477 1.6477 3.4169 3.4169 3.9922 3.9922 5.1170 5.1170 5.4755 5.4755 8.3748 8.3748 k =-0.4772 0.3298 0.4001 ( 6434 PWs) bands (ev): -50.4201 -50.4201 -45.5758 -45.5758 -45.4819 -45.4819 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0586 -8.0586 0.9057 0.9057 1.6400 1.6400 3.4393 3.4393 3.9884 3.9884 5.1279 5.1279 5.4833 5.4833 8.3535 8.3535 k =-0.4829 0.3200 0.4001 ( 6438 PWs) bands (ev): -50.4202 -50.4202 -45.5763 -45.5763 -45.4814 -45.4814 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0592 -8.0592 0.9026 0.9026 1.6339 1.6339 3.4569 3.4569 3.9855 3.9855 5.1362 5.1362 5.4898 5.4898 8.3366 8.3366 k =-0.4886 0.3102 0.4001 ( 6434 PWs) bands (ev): -50.4202 -50.4202 -45.5766 -45.5766 -45.4810 -45.4810 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0597 -8.0597 0.9005 0.9005 1.6296 1.6296 3.4697 3.4697 3.9834 3.9834 5.1420 5.1420 5.4946 5.4946 8.3243 8.3243 k =-0.4943 0.3003 0.4001 ( 6420 PWs) bands (ev): -50.4202 -50.4202 -45.5768 -45.5768 -45.4808 -45.4808 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0600 -8.0600 0.8992 0.8992 1.6271 1.6271 3.4775 3.4775 3.9821 3.9821 5.1454 5.1454 5.4976 5.4976 8.3169 8.3169 k =-0.5000 0.2905 0.4001 ( 6420 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0601 -8.0601 0.8987 0.8987 1.6262 1.6262 3.4800 3.4800 3.9817 3.9817 5.1465 5.1465 5.4986 5.4986 8.3144 8.3144 k =-0.5000 0.2905 0.4001 ( 6420 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0601 -8.0601 0.8987 0.8987 1.6262 1.6262 3.4800 3.4800 3.9817 3.9817 5.1465 5.1465 5.4986 5.4986 8.3144 8.3144 k =-0.5000 0.2905 0.3886 ( 6420 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0604 -8.0604 0.9005 0.9005 1.6253 1.6253 3.4791 3.4791 3.9843 3.9843 5.1430 5.1430 5.5004 5.5004 8.3181 8.3181 k =-0.5000 0.2905 0.3772 ( 6422 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0612 -8.0612 0.9057 0.9057 1.6228 1.6228 3.4763 3.4763 3.9919 3.9919 5.1324 5.1324 5.5055 5.5055 8.3293 8.3293 k =-0.5000 0.2905 0.3658 ( 6428 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0561 -22.0561 -8.0625 -8.0625 0.9143 0.9143 1.6186 1.6186 3.4718 3.4718 4.0045 4.0045 5.1150 5.1150 5.5140 5.5140 8.3477 8.3477 k =-0.5000 0.2905 0.3543 ( 6434 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0560 -22.0560 -8.0644 -8.0644 0.9264 0.9264 1.6128 1.6128 3.4654 3.4654 4.0220 4.0220 5.0909 5.0909 5.5258 5.5258 8.3732 8.3732 k =-0.5000 0.2905 0.3429 ( 6430 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0559 -22.0559 -8.0667 -8.0667 0.9419 0.9419 1.6054 1.6054 3.4575 3.4575 4.0444 4.0444 5.0605 5.0605 5.5407 5.5407 8.4054 8.4054 k =-0.5000 0.2905 0.3315 ( 6436 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0557 -22.0557 -8.0696 -8.0696 0.9608 0.9608 1.5968 1.5968 3.4481 3.4481 4.0715 4.0715 5.0242 5.0242 5.5585 5.5585 8.4550 8.4550 k =-0.5000 0.2905 0.3201 ( 6442 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0555 -22.0555 -8.0729 -8.0729 0.9830 0.9830 1.5868 1.5868 3.4373 3.4373 4.1032 4.1032 4.9823 4.9823 5.5791 5.5791 8.4264 8.4264 k =-0.5000 0.2905 0.3086 ( 6446 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5640 -22.5640 -22.0553 -22.0553 -8.0766 -8.0766 1.0085 1.0085 1.5758 1.5758 3.4253 3.4253 4.1392 4.1392 4.9353 4.9353 5.6023 5.6023 8.3936 8.3936 k =-0.5000 0.2905 0.2972 ( 6446 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5640 -22.5640 -22.0551 -22.0551 -8.0807 -8.0807 1.0372 1.0372 1.5638 1.5638 3.4122 3.4122 4.1795 4.1795 4.8836 4.8836 5.6278 5.6278 8.3566 8.3566 k =-0.5000 0.2905 0.2858 ( 6438 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5641 -22.5641 -22.0549 -22.0549 -8.0852 -8.0852 1.0690 1.0690 1.5510 1.5510 3.3983 3.3983 4.2237 4.2237 4.8277 4.8277 5.6555 5.6555 8.3154 8.3154 k =-0.5000 0.2905 0.2743 ( 6438 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5641 -22.5641 -22.0546 -22.0546 -8.0900 -8.0900 1.1039 1.1039 1.5375 1.5375 3.3836 3.3836 4.2719 4.2719 4.7679 4.7679 5.6849 5.6849 8.2702 8.2702 k =-0.5000 0.2905 0.2629 ( 6446 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5641 -22.5641 -22.0543 -22.0543 -8.0950 -8.0950 1.1418 1.1418 1.5235 1.5235 3.3684 3.3684 4.3237 4.3237 4.7048 4.7048 5.7159 5.7159 8.2211 8.2211 k =-0.5000 0.2905 0.2515 ( 6446 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5641 -22.5641 -22.0540 -22.0540 -8.1004 -8.1004 1.1826 1.1826 1.5092 1.5092 3.3528 3.3528 4.3789 4.3789 4.6386 4.6386 5.7483 5.7483 8.1682 8.1682 k =-0.5000 0.2905 0.2400 ( 6454 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5641 -22.5641 -22.0537 -22.0537 -8.1059 -8.1059 1.2261 1.2261 1.4947 1.4947 3.3369 3.3369 4.4374 4.4374 4.5697 4.5697 5.7817 5.7817 8.1116 8.1116 k =-0.5000 0.2905 0.2286 ( 6462 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5641 -22.5641 -22.0534 -22.0534 -8.1115 -8.1115 1.2723 1.2723 1.4800 1.4800 3.3209 3.3209 4.4961 4.4961 4.5014 4.5014 5.8158 5.8158 8.0515 8.0515 k =-0.5000 0.2905 0.2172 ( 6466 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5641 -22.5641 -22.0531 -22.0531 -8.1173 -8.1173 1.3211 1.3211 1.4655 1.4655 3.3050 3.3050 4.4251 4.4251 4.5636 4.5636 5.8505 5.8505 7.9880 7.9880 k =-0.5000 0.2905 0.2058 ( 6458 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5641 -22.5641 -22.0528 -22.0528 -8.1231 -8.1231 1.3723 1.3723 1.4511 1.4511 3.2892 3.2892 4.3501 4.3501 4.6308 4.6308 5.8854 5.8854 7.9213 7.9213 k =-0.5000 0.2905 0.1943 ( 6466 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5642 -22.5642 -22.0524 -22.0524 -8.1290 -8.1290 1.4256 1.4256 1.4372 1.4372 3.2737 3.2737 4.2736 4.2736 4.7005 4.7005 5.9203 5.9203 7.8517 7.8517 k =-0.5000 0.2905 0.1829 ( 6466 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5642 -22.5642 -22.0521 -22.0521 -8.1348 -8.1348 1.4230 1.4230 1.4817 1.4817 3.2585 3.2585 4.1959 4.1959 4.7726 4.7726 5.9550 5.9550 7.7792 7.7792 k =-0.5000 0.2905 0.1715 ( 6474 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6922 -22.6922 -22.5642 -22.5642 -22.0518 -22.0518 -8.1405 -8.1405 1.4097 1.4097 1.5393 1.5393 3.2439 3.2439 4.1173 4.1173 4.8467 4.8467 5.9891 5.9891 7.7042 7.7042 k =-0.5000 0.2905 0.1600 ( 6460 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5642 -22.5642 -22.0515 -22.0515 -8.1460 -8.1460 1.3969 1.3969 1.5987 1.5987 3.2298 3.2298 4.0380 4.0380 4.9228 4.9228 6.0224 6.0224 7.6270 7.6270 k =-0.5000 0.2905 0.1486 ( 6468 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5642 -22.5642 -22.0512 -22.0512 -8.1514 -8.1514 1.3847 1.3847 1.6598 1.6598 3.2164 3.2164 3.9584 3.9584 5.0005 5.0005 6.0547 6.0547 7.5477 7.5477 k =-0.5000 0.2905 0.1372 ( 6468 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5642 -22.5642 -22.0509 -22.0509 -8.1566 -8.1566 1.3732 1.3732 1.7221 1.7221 3.2036 3.2036 3.8786 3.8786 5.0797 5.0797 6.0857 6.0857 7.4668 7.4668 k =-0.5000 0.2905 0.1257 ( 6468 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5642 -22.5642 -22.0506 -22.0506 -8.1616 -8.1616 1.3623 1.3623 1.7856 1.7856 3.1917 3.1917 3.7991 3.7991 5.1599 5.1599 6.1152 6.1152 7.3846 7.3846 k =-0.5000 0.2905 0.1143 ( 6466 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5643 -22.5643 -22.0503 -22.0503 -8.1662 -8.1662 1.3523 1.3523 1.8497 1.8497 3.1806 3.1806 3.7202 3.7202 5.2410 5.2410 6.1430 6.1430 7.3014 7.3014 k =-0.5000 0.2905 0.1029 ( 6470 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4808 -45.4808 -22.6923 -22.6923 -22.5643 -22.5643 -22.0501 -22.0501 -8.1705 -8.1705 1.3431 1.3431 1.9142 1.9142 3.1705 3.1705 3.6424 3.6424 5.3224 5.3224 6.1689 6.1689 7.2178 7.2178 k =-0.5000 0.2905 0.0914 ( 6476 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4808 -45.4808 -22.6923 -22.6923 -22.5643 -22.5643 -22.0499 -22.0499 -8.1745 -8.1745 1.3348 1.3348 1.9784 1.9784 3.1613 3.1613 3.5662 3.5662 5.4036 5.4036 6.1926 6.1926 7.1344 7.1344 k =-0.5000 0.2905 0.0800 ( 6480 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4808 -45.4808 -22.6923 -22.6923 -22.5643 -22.5643 -22.0497 -22.0497 -8.1780 -8.1780 1.3273 1.3273 2.0416 2.0416 3.1530 3.1530 3.4923 3.4923 5.4839 5.4839 6.2141 6.2141 7.0520 7.0520 k =-0.5000 0.2905 0.0686 ( 6474 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4808 -45.4808 -22.6923 -22.6923 -22.5643 -22.5643 -22.0495 -22.0495 -8.1812 -8.1812 1.3208 1.3208 2.1031 2.1031 3.1458 3.1458 3.4217 3.4217 5.5624 5.5624 6.2330 6.2330 6.9715 6.9715 k =-0.5000 0.2905 0.0572 ( 6468 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4808 -45.4808 -22.6923 -22.6923 -22.5643 -22.5643 -22.0493 -22.0493 -8.1839 -8.1839 1.3153 1.3153 2.1614 2.1614 3.1397 3.1397 3.3556 3.3556 5.6377 5.6377 6.2493 6.2493 6.8945 6.8945 k =-0.5000 0.2905 0.0457 ( 6466 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4808 -45.4808 -22.6923 -22.6923 -22.5643 -22.5643 -22.0492 -22.0492 -8.1861 -8.1861 1.3107 1.3107 2.2149 2.2149 3.1346 3.1346 3.2957 3.2957 5.7078 5.7078 6.2628 6.2628 6.8228 6.8228 k =-0.5000 0.2905 0.0343 ( 6458 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5643 -22.5643 -22.0491 -22.0491 -8.1878 -8.1878 1.3072 1.3072 2.2614 2.2614 3.1307 3.1307 3.2443 3.2443 5.7699 5.7699 6.2734 6.2734 6.7595 6.7595 k =-0.5000 0.2905 0.0229 ( 6458 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5643 -22.5643 -22.0490 -22.0490 -8.1891 -8.1891 1.3046 1.3046 2.2980 2.2980 3.1279 3.1279 3.2041 3.2041 5.8200 5.8200 6.2811 6.2811 6.7085 6.7085 k =-0.5000 0.2905 0.0114 ( 6448 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5643 -22.5643 -22.0490 -22.0490 -8.1899 -8.1899 1.3031 1.3031 2.3217 2.3217 3.1262 3.1262 3.1782 3.1782 5.8532 5.8532 6.2857 6.2857 6.6748 6.6748 k =-0.5000 0.2905 0.0000 ( 6444 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6923 -22.6923 -22.5643 -22.5643 -22.0490 -22.0490 -8.1901 -8.1901 1.3026 1.3026 2.3300 2.3300 3.1256 3.1256 3.1693 3.1693 5.8649 5.8649 6.2873 6.2873 6.6629 6.6629 k = 0.0000 0.0000 0.4001 ( 6500 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6807 -22.6807 -22.5524 -22.5524 -22.0633 -22.0633 -8.3853 -8.3853 -0.1937 -0.1937 3.8392 3.8392 3.8557 3.8557 4.6688 4.6688 5.0680 5.0680 6.6968 6.6968 6.7109 6.7109 k =-0.0100 0.0058 0.4001 ( 6496 PWs) bands (ev): -50.4341 -50.4341 -45.6618 -45.6618 -45.3738 -45.3738 -22.6807 -22.6807 -22.5524 -22.5524 -22.0633 -22.0633 -8.3850 -8.3850 -0.1930 -0.1930 3.8368 3.8368 3.8497 3.8497 4.6771 4.6771 5.0677 5.0677 6.6949 6.6949 6.7085 6.7085 k =-0.0200 0.0116 0.4001 ( 6496 PWs) bands (ev): -50.4340 -50.4340 -45.6616 -45.6616 -45.3740 -45.3740 -22.6807 -22.6807 -22.5524 -22.5524 -22.0633 -22.0633 -8.3841 -8.3841 -0.1906 -0.1906 3.8200 3.8200 3.8424 3.8424 4.7010 4.7010 5.0668 5.0668 6.6893 6.6893 6.7012 6.7012 k =-0.0300 0.0174 0.4001 ( 6480 PWs) bands (ev): -50.4340 -50.4340 -45.6614 -45.6614 -45.3744 -45.3744 -22.6808 -22.6808 -22.5525 -22.5525 -22.0633 -22.0633 -8.3826 -8.3826 -0.1868 -0.1868 3.7855 3.7855 3.8393 3.8393 4.7383 4.7383 5.0653 5.0653 6.6799 6.6799 6.6890 6.6890 k =-0.0400 0.0232 0.4001 ( 6476 PWs) bands (ev): -50.4339 -50.4339 -45.6610 -45.6610 -45.3749 -45.3749 -22.6808 -22.6808 -22.5526 -22.5526 -22.0632 -22.0632 -8.3805 -8.3805 -0.1813 -0.1813 3.7403 3.7403 3.8364 3.8364 4.7861 4.7861 5.0631 5.0631 6.6670 6.6670 6.6722 6.6722 k =-0.0500 0.0290 0.4001 ( 6468 PWs) bands (ev): -50.4337 -50.4337 -45.6606 -45.6606 -45.3755 -45.3755 -22.6809 -22.6809 -22.5527 -22.5527 -22.0631 -22.0631 -8.3779 -8.3779 -0.1744 -0.1744 3.6875 3.6875 3.8329 3.8329 4.8420 4.8420 5.0604 5.0604 6.6507 6.6507 6.6508 6.6508 k =-0.0600 0.0349 0.4001 ( 6472 PWs) bands (ev): -50.4336 -50.4336 -45.6601 -45.6601 -45.3762 -45.3762 -22.6811 -22.6811 -22.5528 -22.5528 -22.0631 -22.0631 -8.3746 -8.3746 -0.1659 -0.1659 3.6294 3.6294 3.8287 3.8287 4.9038 4.9038 5.0569 5.0569 6.6249 6.6249 6.6312 6.6312 k =-0.0700 0.0407 0.4001 ( 6470 PWs) bands (ev): -50.4334 -50.4334 -45.6595 -45.6595 -45.3771 -45.3771 -22.6812 -22.6812 -22.5530 -22.5530 -22.0630 -22.0630 -8.3708 -8.3708 -0.1559 -0.1559 3.5675 3.5675 3.8239 3.8239 4.9700 4.9700 5.0529 5.0529 6.5948 6.5948 6.6088 6.6088 k =-0.0800 0.0465 0.4001 ( 6474 PWs) bands (ev): -50.4332 -50.4332 -45.6587 -45.6587 -45.3782 -45.3782 -22.6814 -22.6814 -22.5531 -22.5531 -22.0629 -22.0629 -8.3664 -8.3664 -0.1444 -0.1444 3.5029 3.5029 3.8184 3.8184 5.0391 5.0391 5.0487 5.0487 6.5606 6.5606 6.5836 6.5836 k =-0.0900 0.0523 0.4001 ( 6474 PWs) bands (ev): -50.4330 -50.4330 -45.6579 -45.6579 -45.3793 -45.3793 -22.6816 -22.6816 -22.5533 -22.5533 -22.0628 -22.0628 -8.3615 -8.3615 -0.1314 -0.1314 3.4366 3.4366 3.8123 3.8123 5.0427 5.0427 5.1118 5.1118 6.5226 6.5226 6.5559 6.5559 k =-0.1000 0.0581 0.4001 ( 6466 PWs) bands (ev): -50.4328 -50.4328 -45.6570 -45.6570 -45.3806 -45.3806 -22.6818 -22.6818 -22.5536 -22.5536 -22.0626 -22.0626 -8.3561 -8.3561 -0.1170 -0.1170 3.3692 3.3692 3.8055 3.8055 5.0366 5.0366 5.1858 5.1858 6.4810 6.4810 6.5260 6.5260 k =-0.1100 0.0639 0.4001 ( 6466 PWs) bands (ev): -50.4325 -50.4325 -45.6560 -45.6560 -45.3821 -45.3821 -22.6820 -22.6820 -22.5538 -22.5538 -22.0625 -22.0625 -8.3502 -8.3502 -0.1011 -0.1011 3.3011 3.3011 3.7982 3.7982 5.0298 5.0298 5.2613 5.2613 6.4362 6.4362 6.4942 6.4942 k =-0.1200 0.0697 0.4001 ( 6462 PWs) bands (ev): -50.4322 -50.4322 -45.6549 -45.6549 -45.3836 -45.3836 -22.6822 -22.6822 -22.5540 -22.5540 -22.0624 -22.0624 -8.3437 -8.3437 -0.0838 -0.0838 3.2326 3.2326 3.7903 3.7903 5.0222 5.0222 5.3378 5.3378 6.3883 6.3883 6.4608 6.4608 k =-0.1300 0.0755 0.4001 ( 6458 PWs) bands (ev): -50.4319 -50.4319 -45.6537 -45.6537 -45.3853 -45.3853 -22.6825 -22.6825 -22.5543 -22.5543 -22.0622 -22.0622 -8.3369 -8.3369 -0.0651 -0.0651 3.1641 3.1641 3.7819 3.7819 5.0138 5.0138 5.4153 5.4153 6.3378 6.3378 6.4259 6.4259 k =-0.1400 0.0813 0.4001 ( 6474 PWs) bands (ev): -50.4316 -50.4316 -45.6524 -45.6524 -45.3872 -45.3872 -22.6828 -22.6828 -22.5546 -22.5546 -22.0620 -22.0620 -8.3295 -8.3295 -0.0450 -0.0450 3.0958 3.0958 3.7730 3.7730 5.0045 5.0045 5.4935 5.4935 6.2849 6.2849 6.3899 6.3899 k =-0.1500 0.0871 0.4001 ( 6474 PWs) bands (ev): -50.4312 -50.4312 -45.6510 -45.6510 -45.3891 -45.3891 -22.6831 -22.6831 -22.5549 -22.5549 -22.0619 -22.0619 -8.3218 -8.3218 -0.0237 -0.0237 3.0279 3.0279 3.7636 3.7636 4.9943 4.9943 5.5723 5.5723 6.2299 6.2299 6.3530 6.3530 k =-0.1600 0.0930 0.4001 ( 6476 PWs) bands (ev): -50.4309 -50.4309 -45.6495 -45.6495 -45.3912 -45.3912 -22.6834 -22.6834 -22.5552 -22.5552 -22.0617 -22.0617 -8.3137 -8.3137 -0.0010 -0.0010 2.9604 2.9604 3.7539 3.7539 4.9831 4.9831 5.6514 5.6514 6.1733 6.1733 6.3155 6.3155 k =-0.1700 0.0988 0.4001 ( 6472 PWs) bands (ev): -50.4305 -50.4305 -45.6479 -45.6479 -45.3933 -45.3933 -22.6837 -22.6837 -22.5555 -22.5555 -22.0615 -22.0615 -8.3052 -8.3052 0.0230 0.0230 2.8937 2.8937 3.7438 3.7438 4.9708 4.9708 5.7309 5.7309 6.1153 6.1153 6.2775 6.2775 k =-0.1800 0.1046 0.4001 ( 6468 PWs) bands (ev): -50.4301 -50.4301 -45.6463 -45.6463 -45.3956 -45.3956 -22.6840 -22.6840 -22.5559 -22.5559 -22.0613 -22.0613 -8.2964 -8.2964 0.0481 0.0481 2.8278 2.8278 3.7334 3.7334 4.9573 4.9573 5.8106 5.8106 6.0563 6.0563 6.2392 6.2392 k =-0.1900 0.1104 0.4001 ( 6460 PWs) bands (ev): -50.4297 -50.4297 -45.6445 -45.6445 -45.3980 -45.3980 -22.6843 -22.6843 -22.5562 -22.5562 -22.0611 -22.0611 -8.2873 -8.2873 0.0744 0.0744 2.7628 2.7628 3.7227 3.7227 4.9425 4.9425 5.8906 5.8906 5.9968 5.9968 6.2008 6.2008 k =-0.2000 0.1162 0.4001 ( 6468 PWs) bands (ev): -50.4293 -50.4293 -45.6426 -45.6426 -45.4005 -45.4005 -22.6847 -22.6847 -22.5566 -22.5566 -22.0609 -22.0609 -8.2779 -8.2779 0.1018 0.1018 2.6988 2.6988 3.7118 3.7118 4.9263 4.9263 5.9369 5.9369 5.9708 5.9708 6.1626 6.1626 k =-0.2100 0.1220 0.4001 ( 6466 PWs) bands (ev): -50.4289 -50.4289 -45.6407 -45.6407 -45.4031 -45.4031 -22.6850 -22.6850 -22.5569 -22.5569 -22.0607 -22.0607 -8.2683 -8.2683 0.1303 0.1303 2.6360 2.6360 3.7007 3.7007 4.9084 4.9084 5.8776 5.8776 6.0508 6.0508 6.1246 6.1246 k =-0.2200 0.1278 0.4001 ( 6460 PWs) bands (ev): -50.4284 -50.4284 -45.6387 -45.6387 -45.4058 -45.4058 -22.6854 -22.6854 -22.5573 -22.5573 -22.0604 -22.0604 -8.2585 -8.2585 0.1598 0.1598 2.5743 2.5743 3.6894 3.6894 4.8888 4.8888 5.8189 5.8189 6.0869 6.0869 6.1311 6.1311 k =-0.2300 0.1336 0.4001 ( 6464 PWs) bands (ev): -50.4280 -50.4280 -45.6366 -45.6366 -45.4086 -45.4086 -22.6857 -22.6857 -22.5576 -22.5576 -22.0602 -22.0602 -8.2485 -8.2485 0.1902 0.1902 2.5140 2.5140 3.6781 3.6781 4.8672 4.8672 5.7613 5.7613 6.0498 6.0498 6.2113 6.2113 k =-0.2400 0.1394 0.4001 ( 6464 PWs) bands (ev): -50.4276 -50.4276 -45.6344 -45.6344 -45.4115 -45.4115 -22.6861 -22.6861 -22.5580 -22.5580 -22.0600 -22.0600 -8.2384 -8.2384 0.2214 0.2214 2.4550 2.4550 3.6667 3.6667 4.8434 4.8434 5.7053 5.7053 6.0133 6.0133 6.2916 6.2916 k =-0.2500 0.1452 0.4001 ( 6464 PWs) bands (ev): -50.4271 -50.4271 -45.6321 -45.6321 -45.4145 -45.4145 -22.6865 -22.6865 -22.5584 -22.5584 -22.0598 -22.0598 -8.2282 -8.2282 0.2535 0.2535 2.3975 2.3975 3.6554 3.6554 4.8172 4.8172 5.6514 5.6514 5.9776 5.9776 6.3718 6.3718 k =-0.2600 0.1511 0.4001 ( 6460 PWs) bands (ev): -50.4267 -50.4267 -45.6297 -45.6297 -45.4175 -45.4175 -22.6868 -22.6868 -22.5587 -22.5587 -22.0596 -22.0596 -8.2180 -8.2180 0.2862 0.2862 2.3415 2.3415 3.6440 3.6440 4.7885 4.7885 5.5999 5.5999 5.9427 5.9427 6.4521 6.4521 k =-0.2700 0.1569 0.4001 ( 6458 PWs) bands (ev): -50.4263 -50.4263 -45.6273 -45.6273 -45.4207 -45.4207 -22.6872 -22.6872 -22.5591 -22.5591 -22.0593 -22.0593 -8.2078 -8.2078 0.3195 0.3195 2.2872 2.2872 3.6328 3.6328 4.7571 4.7571 5.5513 5.5513 5.9088 5.9088 6.5323 6.5323 k =-0.2800 0.1627 0.4001 ( 6454 PWs) bands (ev): -50.4258 -50.4258 -45.6248 -45.6248 -45.4238 -45.4238 -22.6875 -22.6875 -22.5595 -22.5595 -22.0591 -22.0591 -8.1976 -8.1976 0.3533 0.3533 2.2345 2.2345 3.6217 3.6217 4.7230 4.7230 5.5058 5.5058 5.8758 5.8758 6.6125 6.6125 k =-0.2900 0.1685 0.4001 ( 6454 PWs) bands (ev): -50.4254 -50.4254 -45.6223 -45.6223 -45.4271 -45.4271 -22.6879 -22.6879 -22.5598 -22.5598 -22.0589 -22.0589 -8.1875 -8.1875 0.3875 0.3875 2.1836 2.1836 3.6108 3.6108 4.6863 4.6863 5.4637 5.4637 5.8439 5.8439 6.6927 6.6927 k =-0.3000 0.1743 0.4001 ( 6452 PWs) bands (ev): -50.4250 -50.4250 -45.6196 -45.6196 -45.4304 -45.4304 -22.6882 -22.6882 -22.5601 -22.5601 -22.0587 -22.0587 -8.1776 -8.1776 0.4220 0.4220 2.1345 2.1345 3.6000 3.6000 4.6470 4.6470 5.4250 5.4250 5.8132 5.8132 6.7729 6.7729 k =-0.3100 0.1801 0.4001 ( 6448 PWs) bands (ev): -50.4246 -50.4246 -45.6170 -45.6170 -45.4337 -45.4337 -22.6886 -22.6886 -22.5605 -22.5605 -22.0585 -22.0585 -8.1677 -8.1677 0.4566 0.4566 2.0873 2.0873 3.5896 3.5896 4.6055 4.6055 5.3898 5.3898 5.7837 5.7837 6.8531 6.8531 k =-0.3200 0.1859 0.4001 ( 6448 PWs) bands (ev): -50.4242 -50.4242 -45.6143 -45.6143 -45.4370 -45.4370 -22.6889 -22.6889 -22.5608 -22.5608 -22.0583 -22.0583 -8.1581 -8.1581 0.4912 0.4912 2.0421 2.0421 3.5794 3.5794 4.5621 4.5621 5.3580 5.3580 5.7555 5.7555 6.9332 6.9332 k =-0.3300 0.1917 0.4001 ( 6450 PWs) bands (ev): -50.4238 -50.4238 -45.6115 -45.6115 -45.4404 -45.4404 -22.6892 -22.6892 -22.5611 -22.5611 -22.0581 -22.0581 -8.1487 -8.1487 0.5256 0.5256 1.9990 1.9990 3.5696 3.5696 4.5172 4.5172 5.3294 5.3294 5.7285 5.7285 7.0134 7.0134 k =-0.3400 0.1975 0.4001 ( 6450 PWs) bands (ev): -50.4234 -50.4234 -45.6088 -45.6088 -45.4437 -45.4437 -22.6895 -22.6895 -22.5614 -22.5614 -22.0579 -22.0579 -8.1396 -8.1396 0.5598 0.5598 1.9579 1.9579 3.5601 3.5601 4.4712 4.4712 5.3038 5.3038 5.7029 5.7029 7.0936 7.0936 k =-0.3500 0.2033 0.4001 ( 6456 PWs) bands (ev): -50.4231 -50.4231 -45.6060 -45.6060 -45.4471 -45.4471 -22.6898 -22.6898 -22.5617 -22.5617 -22.0577 -22.0577 -8.1309 -8.1309 0.5934 0.5934 1.9190 1.9190 3.5510 3.5510 4.4248 4.4248 5.2810 5.2810 5.6787 5.6787 7.1739 7.1739 k =-0.3600 0.2092 0.4001 ( 6448 PWs) bands (ev): -50.4227 -50.4227 -45.6032 -45.6032 -45.4504 -45.4504 -22.6901 -22.6901 -22.5620 -22.5620 -22.0575 -22.0575 -8.1225 -8.1225 0.6264 0.6264 1.8822 1.8822 3.5424 3.5424 4.3784 4.3784 5.2606 5.2606 5.6559 5.6559 7.2542 7.2542 k =-0.3700 0.2150 0.4001 ( 6456 PWs) bands (ev): -50.4224 -50.4224 -45.6004 -45.6004 -45.4537 -45.4537 -22.6904 -22.6904 -22.5623 -22.5623 -22.0573 -22.0573 -8.1145 -8.1145 0.6586 0.6586 1.8478 1.8478 3.5342 3.5342 4.3325 4.3325 5.2426 5.2426 5.6346 5.6346 7.3347 7.3347 k =-0.3800 0.2208 0.4001 ( 6456 PWs) bands (ev): -50.4221 -50.4221 -45.5977 -45.5977 -45.4569 -45.4569 -22.6906 -22.6906 -22.5625 -22.5625 -22.0572 -22.0572 -8.1069 -8.1069 0.6896 0.6896 1.8157 1.8157 3.5265 3.5265 4.2877 4.2877 5.2266 5.2266 5.6147 5.6147 7.4152 7.4152 k =-0.3900 0.2266 0.4001 ( 6450 PWs) bands (ev): -50.4218 -50.4218 -45.5950 -45.5950 -45.4601 -45.4601 -22.6908 -22.6908 -22.5627 -22.5627 -22.0570 -22.0570 -8.0998 -8.0998 0.7194 0.7194 1.7859 1.7859 3.5193 3.5193 4.2445 4.2445 5.2125 5.2125 5.5964 5.5964 7.4959 7.4959 k =-0.4000 0.2324 0.4001 ( 6450 PWs) bands (ev): -50.4215 -50.4215 -45.5924 -45.5924 -45.4631 -45.4631 -22.6911 -22.6911 -22.5629 -22.5629 -22.0569 -22.0569 -8.0932 -8.0932 0.7476 0.7476 1.7586 1.7586 3.5127 3.5127 4.2032 4.2032 5.2001 5.2001 5.5796 5.5796 7.5768 7.5768 k =-0.4100 0.2382 0.4001 ( 6440 PWs) bands (ev): -50.4213 -50.4213 -45.5899 -45.5899 -45.4660 -45.4660 -22.6913 -22.6913 -22.5631 -22.5631 -22.0568 -22.0568 -8.0871 -8.0871 0.7741 0.7741 1.7337 1.7337 3.5066 3.5066 4.1643 4.1643 5.1893 5.1893 5.5643 5.5643 7.6578 7.6578 k =-0.4200 0.2440 0.4001 ( 6428 PWs) bands (ev): -50.4211 -50.4211 -45.5875 -45.5875 -45.4688 -45.4688 -22.6914 -22.6914 -22.5633 -22.5633 -22.0567 -22.0567 -8.0816 -8.0816 0.7986 0.7986 1.7114 1.7114 3.5012 3.5012 4.1284 4.1284 5.1799 5.1799 5.5506 5.5506 7.7390 7.7390 k =-0.4300 0.2498 0.4001 ( 6428 PWs) bands (ev): -50.4209 -50.4209 -45.5852 -45.5852 -45.4713 -45.4713 -22.6916 -22.6916 -22.5635 -22.5635 -22.0566 -22.0566 -8.0766 -8.0766 0.8210 0.8210 1.6915 1.6915 3.4963 3.4963 4.0956 4.0956 5.1717 5.1717 5.5385 5.5385 7.8203 7.8203 k =-0.4400 0.2556 0.4001 ( 6420 PWs) bands (ev): -50.4207 -50.4207 -45.5832 -45.5832 -45.4736 -45.4736 -22.6917 -22.6917 -22.5636 -22.5636 -22.0565 -22.0565 -8.0723 -8.0723 0.8408 0.8408 1.6743 1.6743 3.4920 3.4920 4.0664 4.0664 5.1649 5.1649 5.5279 5.5279 7.9017 7.9017 k =-0.4500 0.2614 0.4001 ( 6424 PWs) bands (ev): -50.4205 -50.4205 -45.5814 -45.5814 -45.4757 -45.4757 -22.6919 -22.6919 -22.5637 -22.5637 -22.0564 -22.0564 -8.0686 -8.0686 0.8581 0.8581 1.6597 1.6597 3.4884 3.4884 4.0412 4.0412 5.1592 5.1592 5.5190 5.5190 7.9830 7.9830 k =-0.4600 0.2673 0.4001 ( 6416 PWs) bands (ev): -50.4204 -50.4204 -45.5798 -45.5798 -45.4774 -45.4774 -22.6919 -22.6919 -22.5638 -22.5638 -22.0563 -22.0563 -8.0656 -8.0656 0.8725 0.8725 1.6476 1.6476 3.4854 3.4854 4.0201 4.0201 5.1546 5.1546 5.5117 5.5117 8.0639 8.0639 k =-0.4700 0.2731 0.4001 ( 6420 PWs) bands (ev): -50.4203 -50.4203 -45.5786 -45.5786 -45.4789 -45.4789 -22.6920 -22.6920 -22.5639 -22.5639 -22.0563 -22.0563 -8.0632 -8.0632 0.8838 0.8838 1.6383 1.6383 3.4831 3.4831 4.0035 4.0035 5.1510 5.1510 5.5060 5.5060 8.1434 8.1434 k =-0.4800 0.2789 0.4001 ( 6420 PWs) bands (ev): -50.4203 -50.4203 -45.5776 -45.5776 -45.4799 -45.4799 -22.6921 -22.6921 -22.5639 -22.5639 -22.0563 -22.0563 -8.0615 -8.0615 0.8921 0.8921 1.6316 1.6316 3.4814 3.4814 3.9914 3.9914 5.1485 5.1485 5.5019 5.5019 8.2193 8.2193 k =-0.4900 0.2847 0.4001 ( 6424 PWs) bands (ev): -50.4202 -50.4202 -45.5771 -45.5771 -45.4805 -45.4805 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0605 -8.0605 0.8971 0.8971 1.6275 1.6275 3.4804 3.4804 3.9841 3.9841 5.1470 5.1470 5.4995 5.4995 8.2842 8.2842 k =-0.5000 0.2905 0.4001 ( 6420 PWs) bands (ev): -50.4202 -50.4202 -45.5769 -45.5769 -45.4807 -45.4807 -22.6921 -22.6921 -22.5640 -22.5640 -22.0562 -22.0562 -8.0601 -8.0601 0.8987 0.8987 1.6262 1.6262 3.4800 3.4800 3.9817 3.9817 5.1465 5.1465 5.4986 5.4986 8.3144 8.3144 Writing output data file NaLi2N.save init_run : 0.11s CPU 0.24s WALL ( 1 calls) electrons : 84.91s CPU 86.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 84.90s CPU 86.62s 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 : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 482 calls) cegterg : 73.57s CPU 74.61s WALL ( 489 calls) Called by sum_band: Called by *egterg: h_psi : 56.42s CPU 57.89s WALL ( 6254 calls) s_psi : 1.05s CPU 1.07s WALL ( 6254 calls) g_psi : 0.21s CPU 0.20s WALL ( 5283 calls) cdiaghg : 17.18s CPU 16.93s WALL ( 5765 calls) cegterg:over : 3.04s CPU 2.87s WALL ( 5283 calls) cegterg:upda : 2.47s CPU 2.51s WALL ( 5283 calls) cegterg:last : 1.52s CPU 1.69s WALL ( 1425 calls) cdiaghg:chol : 1.00s CPU 1.00s WALL ( 5765 calls) cdiaghg:inve : 0.37s CPU 0.33s WALL ( 5765 calls) cdiaghg:para : 0.98s CPU 1.09s WALL ( 11530 calls) Called by h_psi: h_psi:vloc : 53.52s CPU 54.83s WALL ( 6254 calls) h_psi:vnl : 2.72s CPU 2.89s WALL ( 6254 calls) add_vuspsi : 1.11s CPU 1.21s WALL ( 6254 calls) General routines calbec : 1.60s CPU 1.67s WALL ( 6254 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 51.03s CPU 52.19s WALL ( 479948 calls) davcio : 0.27s CPU 0.40s WALL ( 964 calls) Parallel routines fft_scatter : 16.38s CPU 16.81s WALL ( 479963 calls) PWSCF : 1m41.58s CPU 1m56.73s WALL This run was terminated on: 20:18:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=