Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 5:51 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: ./ZrGe2.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 44 44 13 952 952 154 Max 45 45 15 955 955 155 Sum 1607 1607 475 34333 34333 5579 bravais-lattice index = 14 lattice parameter (alat) = 14.5953 a.u. unit-cell volume = 720.0281 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.595287 celldm(2)= 1.000000 celldm(3)= 0.486904 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.879646 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.879646 0.475629 0.000000 ) a(3) = ( 0.000000 0.000000 0.486904 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.849438 -0.000000 ) b(2) = ( 0.000000 2.102479 -0.000000 ) b(3) = ( 0.000000 0.000000 2.053793 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Zr 4.00 91.22400 Zr( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2434520 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2434520 ) 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= 412 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0059113 0.0233609 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0118226 0.0467218 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0177338 0.0700827 -0.0000000), wk = 0.0024272 k( 5) = ( 0.0236451 0.0934435 -0.0000000), wk = 0.0024272 k( 6) = ( 0.0295564 0.1168044 -0.0000000), wk = 0.0024272 k( 7) = ( 0.0354677 0.1401653 -0.0000000), wk = 0.0024272 k( 8) = ( 0.0413789 0.1635262 -0.0000000), wk = 0.0024272 k( 9) = ( 0.0472902 0.1868871 -0.0000000), wk = 0.0024272 k( 10) = ( 0.0532015 0.2102480 -0.0000000), wk = 0.0024272 k( 11) = ( 0.0591128 0.2336088 -0.0000000), wk = 0.0024272 k( 12) = ( 0.0650241 0.2569697 -0.0000000), wk = 0.0024272 k( 13) = ( 0.0709353 0.2803306 -0.0000000), wk = 0.0024272 k( 14) = ( 0.0768466 0.3036915 -0.0000000), wk = 0.0024272 k( 15) = ( 0.0827579 0.3270524 -0.0000000), wk = 0.0024272 k( 16) = ( 0.0886692 0.3504133 -0.0000000), wk = 0.0024272 k( 17) = ( 0.0945805 0.3737742 -0.0000000), wk = 0.0024272 k( 18) = ( 0.1004917 0.3971350 -0.0000000), wk = 0.0024272 k( 19) = ( 0.1064030 0.4204959 -0.0000000), wk = 0.0024272 k( 20) = ( 0.1123143 0.4438568 -0.0000000), wk = 0.0024272 k( 21) = ( 0.1182256 0.4672177 -0.0000000), wk = 0.0024272 k( 22) = ( 0.1241369 0.4905786 -0.0000000), wk = 0.0024272 k( 23) = ( 0.1300481 0.5139394 -0.0000000), wk = 0.0024272 k( 24) = ( 0.1359594 0.5373003 -0.0000000), wk = 0.0024272 k( 25) = ( 0.1418707 0.5606612 -0.0000000), wk = 0.0024272 k( 26) = ( 0.1477820 0.5840221 -0.0000000), wk = 0.0024272 k( 27) = ( 0.1536932 0.6073830 -0.0000000), wk = 0.0024272 k( 28) = ( 0.1596045 0.6307439 -0.0000000), wk = 0.0024272 k( 29) = ( 0.1655158 0.6541047 -0.0000000), wk = 0.0024272 k( 30) = ( 0.1714271 0.6774656 -0.0000000), wk = 0.0024272 k( 31) = ( 0.1773384 0.7008265 -0.0000000), wk = 0.0024272 k( 32) = ( 0.1832496 0.7241874 -0.0000000), wk = 0.0024272 k( 33) = ( 0.1891609 0.7475483 -0.0000000), wk = 0.0024272 k( 34) = ( 0.1950722 0.7709092 -0.0000000), wk = 0.0024272 k( 35) = ( 0.2009835 0.7942700 -0.0000000), wk = 0.0024272 k( 36) = ( 0.2068947 0.8176309 -0.0000000), wk = 0.0024272 k( 37) = ( 0.2128060 0.8409918 -0.0000000), wk = 0.0024272 k( 38) = ( 0.2187173 0.8643527 -0.0000000), wk = 0.0024272 k( 39) = ( 0.2246286 0.8877136 -0.0000000), wk = 0.0024272 k( 40) = ( 0.2305399 0.9110744 -0.0000000), wk = 0.0024272 k( 41) = ( 0.2364511 0.9344353 -0.0000000), wk = 0.0024272 k( 42) = ( 0.2423624 0.9577962 -0.0000000), wk = 0.0024272 k( 43) = ( 0.2482737 0.9811571 -0.0000000), wk = 0.0024272 k( 44) = ( 0.2541850 1.0045180 -0.0000000), wk = 0.0024272 k( 45) = ( 0.2600962 1.0278789 -0.0000000), wk = 0.0024272 k( 46) = ( 0.2660075 1.0512397 -0.0000000), wk = 0.0024272 k( 47) = ( 0.2660075 1.0512397 -0.0000000), wk = 0.0024272 k( 48) = ( 0.2418250 1.0512397 -0.0000000), wk = 0.0024272 k( 49) = ( 0.2176425 1.0512397 -0.0000000), wk = 0.0024272 k( 50) = ( 0.1934600 1.0512397 -0.0000000), wk = 0.0024272 k( 51) = ( 0.1692775 1.0512397 -0.0000000), wk = 0.0024272 k( 52) = ( 0.1450950 1.0512397 -0.0000000), wk = 0.0024272 k( 53) = ( 0.1209125 1.0512397 -0.0000000), wk = 0.0024272 k( 54) = ( 0.0967300 1.0512397 -0.0000000), wk = 0.0024272 k( 55) = ( 0.0725475 1.0512397 -0.0000000), wk = 0.0024272 k( 56) = ( 0.0483650 1.0512397 -0.0000000), wk = 0.0024272 k( 57) = ( 0.0241825 1.0512397 -0.0000000), wk = 0.0024272 k( 58) = ( 0.0000000 1.0512397 -0.0000000), wk = 0.0024272 k( 59) = ( 0.0000000 1.0512397 -0.0000000), wk = 0.0024272 k( 60) = ( 0.0000000 1.0512397 0.0244499), wk = 0.0024272 k( 61) = ( 0.0000000 1.0512397 0.0488998), wk = 0.0024272 k( 62) = ( 0.0000000 1.0512397 0.0733498), wk = 0.0024272 k( 63) = ( 0.0000000 1.0512397 0.0977997), wk = 0.0024272 k( 64) = ( 0.0000000 1.0512397 0.1222496), wk = 0.0024272 k( 65) = ( 0.0000000 1.0512397 0.1466995), wk = 0.0024272 k( 66) = ( 0.0000000 1.0512397 0.1711494), wk = 0.0024272 k( 67) = ( 0.0000000 1.0512397 0.1955993), wk = 0.0024272 k( 68) = ( 0.0000000 1.0512397 0.2200492), wk = 0.0024272 k( 69) = ( 0.0000000 1.0512397 0.2444992), wk = 0.0024272 k( 70) = ( 0.0000000 1.0512397 0.2689491), wk = 0.0024272 k( 71) = ( 0.0000000 1.0512397 0.2933990), wk = 0.0024272 k( 72) = ( 0.0000000 1.0512397 0.3178489), wk = 0.0024272 k( 73) = ( 0.0000000 1.0512397 0.3422988), wk = 0.0024272 k( 74) = ( 0.0000000 1.0512397 0.3667487), wk = 0.0024272 k( 75) = ( 0.0000000 1.0512397 0.3911987), wk = 0.0024272 k( 76) = ( 0.0000000 1.0512397 0.4156486), wk = 0.0024272 k( 77) = ( 0.0000000 1.0512397 0.4400985), wk = 0.0024272 k( 78) = ( 0.0000000 1.0512397 0.4645484), wk = 0.0024272 k( 79) = ( 0.0000000 1.0512397 0.4889983), wk = 0.0024272 k( 80) = ( 0.0000000 1.0512397 0.5134482), wk = 0.0024272 k( 81) = ( 0.0000000 1.0512397 0.5378981), wk = 0.0024272 k( 82) = ( 0.0000000 1.0512397 0.5623481), wk = 0.0024272 k( 83) = ( 0.0000000 1.0512397 0.5867980), wk = 0.0024272 k( 84) = ( 0.0000000 1.0512397 0.6112479), wk = 0.0024272 k( 85) = ( 0.0000000 1.0512397 0.6356978), wk = 0.0024272 k( 86) = ( 0.0000000 1.0512397 0.6601477), wk = 0.0024272 k( 87) = ( 0.0000000 1.0512397 0.6845976), wk = 0.0024272 k( 88) = ( 0.0000000 1.0512397 0.7090476), wk = 0.0024272 k( 89) = ( 0.0000000 1.0512397 0.7334975), wk = 0.0024272 k( 90) = ( 0.0000000 1.0512397 0.7579474), wk = 0.0024272 k( 91) = ( 0.0000000 1.0512397 0.7823973), wk = 0.0024272 k( 92) = ( 0.0000000 1.0512397 0.8068472), wk = 0.0024272 k( 93) = ( 0.0000000 1.0512397 0.8312971), wk = 0.0024272 k( 94) = ( 0.0000000 1.0512397 0.8557471), wk = 0.0024272 k( 95) = ( 0.0000000 1.0512397 0.8801970), wk = 0.0024272 k( 96) = ( 0.0000000 1.0512397 0.9046469), wk = 0.0024272 k( 97) = ( 0.0000000 1.0512397 0.9290968), wk = 0.0024272 k( 98) = ( 0.0000000 1.0512397 0.9535467), wk = 0.0024272 k( 99) = ( 0.0000000 1.0512397 0.9779966), wk = 0.0024272 k( 100) = ( 0.0000000 1.0512397 1.0024466), wk = 0.0024272 k( 101) = ( 0.0000000 1.0512397 1.0268965), wk = 0.0024272 k( 102) = ( 0.0000000 1.0512397 1.0268965), wk = 0.0024272 k( 103) = ( 0.0241825 1.0512397 1.0268965), wk = 0.0024272 k( 104) = ( 0.0483650 1.0512397 1.0268965), wk = 0.0024272 k( 105) = ( 0.0725475 1.0512397 1.0268965), wk = 0.0024272 k( 106) = ( 0.0967300 1.0512397 1.0268965), wk = 0.0024272 k( 107) = ( 0.1209125 1.0512397 1.0268965), wk = 0.0024272 k( 108) = ( 0.1450950 1.0512397 1.0268965), wk = 0.0024272 k( 109) = ( 0.1692775 1.0512397 1.0268965), wk = 0.0024272 k( 110) = ( 0.1934600 1.0512397 1.0268965), wk = 0.0024272 k( 111) = ( 0.2176425 1.0512397 1.0268965), wk = 0.0024272 k( 112) = ( 0.2418250 1.0512397 1.0268965), wk = 0.0024272 k( 113) = ( 0.2660075 1.0512397 1.0268965), wk = 0.0024272 k( 114) = ( 0.2660075 1.0512397 1.0268965), wk = 0.0024272 k( 115) = ( 0.2600962 1.0278789 1.0268965), wk = 0.0024272 k( 116) = ( 0.2541850 1.0045180 1.0268965), wk = 0.0024272 k( 117) = ( 0.2482737 0.9811571 1.0268965), wk = 0.0024272 k( 118) = ( 0.2423624 0.9577962 1.0268965), wk = 0.0024272 k( 119) = ( 0.2364511 0.9344353 1.0268965), wk = 0.0024272 k( 120) = ( 0.2305399 0.9110744 1.0268965), wk = 0.0024272 k( 121) = ( 0.2246286 0.8877136 1.0268965), wk = 0.0024272 k( 122) = ( 0.2187173 0.8643527 1.0268965), wk = 0.0024272 k( 123) = ( 0.2128060 0.8409918 1.0268965), wk = 0.0024272 k( 124) = ( 0.2068947 0.8176309 1.0268965), wk = 0.0024272 k( 125) = ( 0.2009835 0.7942700 1.0268965), wk = 0.0024272 k( 126) = ( 0.1950722 0.7709092 1.0268965), wk = 0.0024272 k( 127) = ( 0.1891609 0.7475483 1.0268965), wk = 0.0024272 k( 128) = ( 0.1832496 0.7241874 1.0268965), wk = 0.0024272 k( 129) = ( 0.1773384 0.7008265 1.0268965), wk = 0.0024272 k( 130) = ( 0.1714271 0.6774656 1.0268965), wk = 0.0024272 k( 131) = ( 0.1655158 0.6541047 1.0268965), wk = 0.0024272 k( 132) = ( 0.1596045 0.6307439 1.0268965), wk = 0.0024272 k( 133) = ( 0.1536932 0.6073830 1.0268965), wk = 0.0024272 k( 134) = ( 0.1477820 0.5840221 1.0268965), wk = 0.0024272 k( 135) = ( 0.1418707 0.5606612 1.0268965), wk = 0.0024272 k( 136) = ( 0.1359594 0.5373003 1.0268965), wk = 0.0024272 k( 137) = ( 0.1300481 0.5139394 1.0268965), wk = 0.0024272 k( 138) = ( 0.1241369 0.4905786 1.0268965), wk = 0.0024272 k( 139) = ( 0.1182256 0.4672177 1.0268965), wk = 0.0024272 k( 140) = ( 0.1123143 0.4438568 1.0268965), wk = 0.0024272 k( 141) = ( 0.1064030 0.4204959 1.0268965), wk = 0.0024272 k( 142) = ( 0.1004917 0.3971350 1.0268965), wk = 0.0024272 k( 143) = ( 0.0945805 0.3737742 1.0268965), wk = 0.0024272 k( 144) = ( 0.0886692 0.3504133 1.0268965), wk = 0.0024272 k( 145) = ( 0.0827579 0.3270524 1.0268965), wk = 0.0024272 k( 146) = ( 0.0768466 0.3036915 1.0268965), wk = 0.0024272 k( 147) = ( 0.0709353 0.2803306 1.0268965), wk = 0.0024272 k( 148) = ( 0.0650241 0.2569697 1.0268965), wk = 0.0024272 k( 149) = ( 0.0591128 0.2336088 1.0268965), wk = 0.0024272 k( 150) = ( 0.0532015 0.2102480 1.0268965), wk = 0.0024272 k( 151) = ( 0.0472902 0.1868871 1.0268965), wk = 0.0024272 k( 152) = ( 0.0413789 0.1635262 1.0268965), wk = 0.0024272 k( 153) = ( 0.0354677 0.1401653 1.0268965), wk = 0.0024272 k( 154) = ( 0.0295564 0.1168044 1.0268965), wk = 0.0024272 k( 155) = ( 0.0236451 0.0934435 1.0268965), wk = 0.0024272 k( 156) = ( 0.0177338 0.0700827 1.0268965), wk = 0.0024272 k( 157) = ( 0.0118226 0.0467218 1.0268965), wk = 0.0024272 k( 158) = ( 0.0059113 0.0233609 1.0268965), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 1.0268965), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 1.0268965), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 1.0024466), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.9779966), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.9535467), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.9290968), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.9046469), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.8801970), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.8557471), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.8312971), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.8068472), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.7823973), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.7579474), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.7334975), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.7090476), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.6845976), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.6601477), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.6356978), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.6112479), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.5867980), wk = 0.0024272 k( 179) = ( 0.0000000 0.0000000 0.5623481), wk = 0.0024272 k( 180) = ( 0.0000000 0.0000000 0.5378981), wk = 0.0024272 k( 181) = ( 0.0000000 0.0000000 0.5134482), wk = 0.0024272 k( 182) = ( 0.0000000 0.0000000 0.4889983), wk = 0.0024272 k( 183) = ( 0.0000000 0.0000000 0.4645484), wk = 0.0024272 k( 184) = ( 0.0000000 0.0000000 0.4400985), wk = 0.0024272 k( 185) = ( 0.0000000 0.0000000 0.4156486), wk = 0.0024272 k( 186) = ( 0.0000000 0.0000000 0.3911987), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.3667487), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.3422988), wk = 0.0024272 k( 189) = ( 0.0000000 0.0000000 0.3178489), wk = 0.0024272 k( 190) = ( 0.0000000 0.0000000 0.2933990), wk = 0.0024272 k( 191) = ( 0.0000000 0.0000000 0.2689491), wk = 0.0024272 k( 192) = ( 0.0000000 0.0000000 0.2444992), wk = 0.0024272 k( 193) = ( 0.0000000 0.0000000 0.2200492), wk = 0.0024272 k( 194) = ( 0.0000000 0.0000000 0.1955993), wk = 0.0024272 k( 195) = ( 0.0000000 0.0000000 0.1711494), wk = 0.0024272 k( 196) = ( 0.0000000 0.0000000 0.1466995), wk = 0.0024272 k( 197) = ( 0.0000000 0.0000000 0.1222496), wk = 0.0024272 k( 198) = ( 0.0000000 0.0000000 0.0977997), wk = 0.0024272 k( 199) = ( 0.0000000 0.0000000 0.0733498), wk = 0.0024272 k( 200) = ( 0.0000000 0.0000000 0.0488998), wk = 0.0024272 k( 201) = ( 0.0000000 0.0000000 0.0244499), wk = 0.0024272 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 204) = ( -0.0238095 0.0060248 0.0000000), wk = 0.0024272 k( 205) = ( -0.0476191 0.0120496 0.0000000), wk = 0.0024272 k( 206) = ( -0.0714286 0.0180744 0.0000000), wk = 0.0024272 k( 207) = ( -0.0952381 0.0240992 0.0000000), wk = 0.0024272 k( 208) = ( -0.1190476 0.0301240 0.0000000), wk = 0.0024272 k( 209) = ( -0.1428571 0.0361488 0.0000000), wk = 0.0024272 k( 210) = ( -0.1666667 0.0421736 0.0000000), wk = 0.0024272 k( 211) = ( -0.1904762 0.0481984 0.0000000), wk = 0.0024272 k( 212) = ( -0.2142857 0.0542232 0.0000000), wk = 0.0024272 k( 213) = ( -0.2380952 0.0602480 0.0000000), wk = 0.0024272 k( 214) = ( -0.2619048 0.0662728 0.0000000), wk = 0.0024272 k( 215) = ( -0.2857143 0.0722976 0.0000000), wk = 0.0024272 k( 216) = ( -0.3095238 0.0783224 0.0000000), wk = 0.0024272 k( 217) = ( -0.3333333 0.0843472 0.0000000), wk = 0.0024272 k( 218) = ( -0.3571429 0.0903720 0.0000000), wk = 0.0024272 k( 219) = ( -0.3809524 0.0963969 0.0000000), wk = 0.0024272 k( 220) = ( -0.4047619 0.1024217 0.0000000), wk = 0.0024272 k( 221) = ( -0.4285714 0.1084465 0.0000000), wk = 0.0024272 k( 222) = ( -0.4523810 0.1144713 0.0000000), wk = 0.0024272 k( 223) = ( -0.4761905 0.1204961 0.0000000), wk = 0.0024272 k( 224) = ( -0.5000000 0.1265209 0.0000000), wk = 0.0024272 k( 225) = ( -0.5000000 0.1265209 0.0000000), wk = 0.0024272 k( 226) = ( -0.4940002 0.1502316 -0.0000000), wk = 0.0024272 k( 227) = ( -0.4880004 0.1739423 -0.0000000), wk = 0.0024272 k( 228) = ( -0.4820006 0.1976531 -0.0000000), wk = 0.0024272 k( 229) = ( -0.4760008 0.2213638 -0.0000000), wk = 0.0024272 k( 230) = ( -0.4700010 0.2450746 -0.0000000), wk = 0.0024272 k( 231) = ( -0.4640012 0.2687853 -0.0000000), wk = 0.0024272 k( 232) = ( -0.4580013 0.2924961 -0.0000000), wk = 0.0024272 k( 233) = ( -0.4520015 0.3162068 -0.0000000), wk = 0.0024272 k( 234) = ( -0.4460017 0.3399175 -0.0000000), wk = 0.0024272 k( 235) = ( -0.4400019 0.3636283 -0.0000000), wk = 0.0024272 k( 236) = ( -0.4340021 0.3873390 -0.0000000), wk = 0.0024272 k( 237) = ( -0.4280023 0.4110497 -0.0000000), wk = 0.0024272 k( 238) = ( -0.4220025 0.4347605 -0.0000000), wk = 0.0024272 k( 239) = ( -0.4160027 0.4584712 -0.0000000), wk = 0.0024272 k( 240) = ( -0.4100029 0.4821820 -0.0000000), wk = 0.0024272 k( 241) = ( -0.4040031 0.5058927 -0.0000000), wk = 0.0024272 k( 242) = ( -0.3980033 0.5296035 -0.0000000), wk = 0.0024272 k( 243) = ( -0.3920035 0.5533142 -0.0000000), wk = 0.0024272 k( 244) = ( -0.3860037 0.5770249 -0.0000000), wk = 0.0024272 k( 245) = ( -0.3800039 0.6007357 -0.0000000), wk = 0.0024272 k( 246) = ( -0.3740040 0.6244464 -0.0000000), wk = 0.0024272 k( 247) = ( -0.3680042 0.6481571 -0.0000000), wk = 0.0024272 k( 248) = ( -0.3620044 0.6718679 -0.0000000), wk = 0.0024272 k( 249) = ( -0.3560046 0.6955787 -0.0000000), wk = 0.0024272 k( 250) = ( -0.3500048 0.7192894 -0.0000000), wk = 0.0024272 k( 251) = ( -0.3440050 0.7430001 -0.0000000), wk = 0.0024272 k( 252) = ( -0.3380052 0.7667109 -0.0000000), wk = 0.0024272 k( 253) = ( -0.3320054 0.7904216 -0.0000000), wk = 0.0024272 k( 254) = ( -0.3260056 0.8141323 -0.0000000), wk = 0.0024272 k( 255) = ( -0.3200058 0.8378431 -0.0000000), wk = 0.0024272 k( 256) = ( -0.3140060 0.8615538 -0.0000000), wk = 0.0024272 k( 257) = ( -0.3080062 0.8852646 -0.0000000), wk = 0.0024272 k( 258) = ( -0.3020064 0.9089753 -0.0000000), wk = 0.0024272 k( 259) = ( -0.2960066 0.9326861 -0.0000000), wk = 0.0024272 k( 260) = ( -0.2900068 0.9563968 -0.0000000), wk = 0.0024272 k( 261) = ( -0.2840069 0.9801075 -0.0000000), wk = 0.0024272 k( 262) = ( -0.2780071 1.0038183 -0.0000000), wk = 0.0024272 k( 263) = ( -0.2720073 1.0275290 -0.0000000), wk = 0.0024272 k( 264) = ( -0.2660075 1.0512397 -0.0000000), wk = 0.0024272 k( 265) = ( -0.2660075 1.0512397 -0.0000000), wk = 0.0024272 k( 266) = ( -0.2660075 1.0512397 0.0244499), wk = 0.0024272 k( 267) = ( -0.2660075 1.0512397 0.0488998), wk = 0.0024272 k( 268) = ( -0.2660075 1.0512397 0.0733498), wk = 0.0024272 k( 269) = ( -0.2660075 1.0512397 0.0977997), wk = 0.0024272 k( 270) = ( -0.2660075 1.0512397 0.1222496), wk = 0.0024272 k( 271) = ( -0.2660075 1.0512397 0.1466995), wk = 0.0024272 k( 272) = ( -0.2660075 1.0512397 0.1711494), wk = 0.0024272 k( 273) = ( -0.2660075 1.0512397 0.1955993), wk = 0.0024272 k( 274) = ( -0.2660075 1.0512397 0.2200492), wk = 0.0024272 k( 275) = ( -0.2660075 1.0512397 0.2444992), wk = 0.0024272 k( 276) = ( -0.2660075 1.0512397 0.2689491), wk = 0.0024272 k( 277) = ( -0.2660075 1.0512397 0.2933990), wk = 0.0024272 k( 278) = ( -0.2660075 1.0512397 0.3178489), wk = 0.0024272 k( 279) = ( -0.2660075 1.0512397 0.3422988), wk = 0.0024272 k( 280) = ( -0.2660075 1.0512397 0.3667487), wk = 0.0024272 k( 281) = ( -0.2660075 1.0512397 0.3911987), wk = 0.0024272 k( 282) = ( -0.2660075 1.0512397 0.4156486), wk = 0.0024272 k( 283) = ( -0.2660075 1.0512397 0.4400985), wk = 0.0024272 k( 284) = ( -0.2660075 1.0512397 0.4645484), wk = 0.0024272 k( 285) = ( -0.2660075 1.0512397 0.4889983), wk = 0.0024272 k( 286) = ( -0.2660075 1.0512397 0.5134482), wk = 0.0024272 k( 287) = ( -0.2660075 1.0512397 0.5378981), wk = 0.0024272 k( 288) = ( -0.2660075 1.0512397 0.5623481), wk = 0.0024272 k( 289) = ( -0.2660075 1.0512397 0.5867980), wk = 0.0024272 k( 290) = ( -0.2660075 1.0512397 0.6112479), wk = 0.0024272 k( 291) = ( -0.2660075 1.0512397 0.6356978), wk = 0.0024272 k( 292) = ( -0.2660075 1.0512397 0.6601477), wk = 0.0024272 k( 293) = ( -0.2660075 1.0512397 0.6845976), wk = 0.0024272 k( 294) = ( -0.2660075 1.0512397 0.7090476), wk = 0.0024272 k( 295) = ( -0.2660075 1.0512397 0.7334975), wk = 0.0024272 k( 296) = ( -0.2660075 1.0512397 0.7579474), wk = 0.0024272 k( 297) = ( -0.2660075 1.0512397 0.7823973), wk = 0.0024272 k( 298) = ( -0.2660075 1.0512397 0.8068472), wk = 0.0024272 k( 299) = ( -0.2660075 1.0512397 0.8312971), wk = 0.0024272 k( 300) = ( -0.2660075 1.0512397 0.8557471), wk = 0.0024272 k( 301) = ( -0.2660075 1.0512397 0.8801970), wk = 0.0024272 k( 302) = ( -0.2660075 1.0512397 0.9046469), wk = 0.0024272 k( 303) = ( -0.2660075 1.0512397 0.9290968), wk = 0.0024272 k( 304) = ( -0.2660075 1.0512397 0.9535467), wk = 0.0024272 k( 305) = ( -0.2660075 1.0512397 0.9779966), wk = 0.0024272 k( 306) = ( -0.2660075 1.0512397 1.0024466), wk = 0.0024272 k( 307) = ( -0.2660075 1.0512397 1.0268965), wk = 0.0024272 k( 308) = ( -0.2660075 1.0512397 1.0268965), wk = 0.0024272 k( 309) = ( -0.2720073 1.0275290 1.0268965), wk = 0.0024272 k( 310) = ( -0.2780071 1.0038183 1.0268965), wk = 0.0024272 k( 311) = ( -0.2840069 0.9801075 1.0268965), wk = 0.0024272 k( 312) = ( -0.2900068 0.9563968 1.0268965), wk = 0.0024272 k( 313) = ( -0.2960066 0.9326861 1.0268965), wk = 0.0024272 k( 314) = ( -0.3020064 0.9089753 1.0268965), wk = 0.0024272 k( 315) = ( -0.3080062 0.8852646 1.0268965), wk = 0.0024272 k( 316) = ( -0.3140060 0.8615538 1.0268965), wk = 0.0024272 k( 317) = ( -0.3200058 0.8378431 1.0268965), wk = 0.0024272 k( 318) = ( -0.3260056 0.8141323 1.0268965), wk = 0.0024272 k( 319) = ( -0.3320054 0.7904216 1.0268965), wk = 0.0024272 k( 320) = ( -0.3380052 0.7667109 1.0268965), wk = 0.0024272 k( 321) = ( -0.3440050 0.7430001 1.0268965), wk = 0.0024272 k( 322) = ( -0.3500048 0.7192894 1.0268965), wk = 0.0024272 k( 323) = ( -0.3560046 0.6955787 1.0268965), wk = 0.0024272 k( 324) = ( -0.3620044 0.6718679 1.0268965), wk = 0.0024272 k( 325) = ( -0.3680042 0.6481571 1.0268965), wk = 0.0024272 k( 326) = ( -0.3740040 0.6244464 1.0268965), wk = 0.0024272 k( 327) = ( -0.3800039 0.6007357 1.0268965), wk = 0.0024272 k( 328) = ( -0.3860037 0.5770249 1.0268965), wk = 0.0024272 k( 329) = ( -0.3920035 0.5533142 1.0268965), wk = 0.0024272 k( 330) = ( -0.3980033 0.5296035 1.0268965), wk = 0.0024272 k( 331) = ( -0.4040031 0.5058927 1.0268965), wk = 0.0024272 k( 332) = ( -0.4100029 0.4821820 1.0268965), wk = 0.0024272 k( 333) = ( -0.4160027 0.4584712 1.0268965), wk = 0.0024272 k( 334) = ( -0.4220025 0.4347605 1.0268965), wk = 0.0024272 k( 335) = ( -0.4280023 0.4110497 1.0268965), wk = 0.0024272 k( 336) = ( -0.4340021 0.3873390 1.0268965), wk = 0.0024272 k( 337) = ( -0.4400019 0.3636283 1.0268965), wk = 0.0024272 k( 338) = ( -0.4460017 0.3399175 1.0268965), wk = 0.0024272 k( 339) = ( -0.4520015 0.3162068 1.0268965), wk = 0.0024272 k( 340) = ( -0.4580013 0.2924961 1.0268965), wk = 0.0024272 k( 341) = ( -0.4640012 0.2687853 1.0268965), wk = 0.0024272 k( 342) = ( -0.4700010 0.2450746 1.0268965), wk = 0.0024272 k( 343) = ( -0.4760008 0.2213638 1.0268965), wk = 0.0024272 k( 344) = ( -0.4820006 0.1976531 1.0268965), wk = 0.0024272 k( 345) = ( -0.4880004 0.1739423 1.0268965), wk = 0.0024272 k( 346) = ( -0.4940002 0.1502316 1.0268965), wk = 0.0024272 k( 347) = ( -0.5000000 0.1265209 1.0268965), wk = 0.0024272 k( 348) = ( -0.5000000 0.1265209 1.0268965), wk = 0.0024272 k( 349) = ( -0.5000000 0.1265209 1.0024466), wk = 0.0024272 k( 350) = ( -0.5000000 0.1265209 0.9779966), wk = 0.0024272 k( 351) = ( -0.5000000 0.1265209 0.9535467), wk = 0.0024272 k( 352) = ( -0.5000000 0.1265209 0.9290968), wk = 0.0024272 k( 353) = ( -0.5000000 0.1265209 0.9046469), wk = 0.0024272 k( 354) = ( -0.5000000 0.1265209 0.8801970), wk = 0.0024272 k( 355) = ( -0.5000000 0.1265209 0.8557471), wk = 0.0024272 k( 356) = ( -0.5000000 0.1265209 0.8312971), wk = 0.0024272 k( 357) = ( -0.5000000 0.1265209 0.8068472), wk = 0.0024272 k( 358) = ( -0.5000000 0.1265209 0.7823973), wk = 0.0024272 k( 359) = ( -0.5000000 0.1265209 0.7579474), wk = 0.0024272 k( 360) = ( -0.5000000 0.1265209 0.7334975), wk = 0.0024272 k( 361) = ( -0.5000000 0.1265209 0.7090476), wk = 0.0024272 k( 362) = ( -0.5000000 0.1265209 0.6845976), wk = 0.0024272 k( 363) = ( -0.5000000 0.1265209 0.6601477), wk = 0.0024272 k( 364) = ( -0.5000000 0.1265209 0.6356978), wk = 0.0024272 k( 365) = ( -0.5000000 0.1265209 0.6112479), wk = 0.0024272 k( 366) = ( -0.5000000 0.1265209 0.5867980), wk = 0.0024272 k( 367) = ( -0.5000000 0.1265209 0.5623481), wk = 0.0024272 k( 368) = ( -0.5000000 0.1265209 0.5378981), wk = 0.0024272 k( 369) = ( -0.5000000 0.1265209 0.5134482), wk = 0.0024272 k( 370) = ( -0.5000000 0.1265209 0.4889983), wk = 0.0024272 k( 371) = ( -0.5000000 0.1265209 0.4645484), wk = 0.0024272 k( 372) = ( -0.5000000 0.1265209 0.4400985), wk = 0.0024272 k( 373) = ( -0.5000000 0.1265209 0.4156486), wk = 0.0024272 k( 374) = ( -0.5000000 0.1265209 0.3911987), wk = 0.0024272 k( 375) = ( -0.5000000 0.1265209 0.3667487), wk = 0.0024272 k( 376) = ( -0.5000000 0.1265209 0.3422988), wk = 0.0024272 k( 377) = ( -0.5000000 0.1265209 0.3178489), wk = 0.0024272 k( 378) = ( -0.5000000 0.1265209 0.2933990), wk = 0.0024272 k( 379) = ( -0.5000000 0.1265209 0.2689491), wk = 0.0024272 k( 380) = ( -0.5000000 0.1265209 0.2444992), wk = 0.0024272 k( 381) = ( -0.5000000 0.1265209 0.2200492), wk = 0.0024272 k( 382) = ( -0.5000000 0.1265209 0.1955993), wk = 0.0024272 k( 383) = ( -0.5000000 0.1265209 0.1711494), wk = 0.0024272 k( 384) = ( -0.5000000 0.1265209 0.1466995), wk = 0.0024272 k( 385) = ( -0.5000000 0.1265209 0.1222496), wk = 0.0024272 k( 386) = ( -0.5000000 0.1265209 0.0977997), wk = 0.0024272 k( 387) = ( -0.5000000 0.1265209 0.0733498), wk = 0.0024272 k( 388) = ( -0.5000000 0.1265209 0.0488998), wk = 0.0024272 k( 389) = ( -0.5000000 0.1265209 0.0244499), wk = 0.0024272 k( 390) = ( -0.5000000 0.1265209 0.0000000), wk = 0.0024272 k( 391) = ( 0.0000000 0.0000000 1.0268965), wk = 0.0024272 k( 392) = ( -0.0238095 0.0060248 1.0268965), wk = 0.0024272 k( 393) = ( -0.0476191 0.0120496 1.0268965), wk = 0.0024272 k( 394) = ( -0.0714286 0.0180744 1.0268965), wk = 0.0024272 k( 395) = ( -0.0952381 0.0240992 1.0268965), wk = 0.0024272 k( 396) = ( -0.1190476 0.0301240 1.0268965), wk = 0.0024272 k( 397) = ( -0.1428571 0.0361488 1.0268965), wk = 0.0024272 k( 398) = ( -0.1666667 0.0421736 1.0268965), wk = 0.0024272 k( 399) = ( -0.1904762 0.0481984 1.0268965), wk = 0.0024272 k( 400) = ( -0.2142857 0.0542232 1.0268965), wk = 0.0024272 k( 401) = ( -0.2380952 0.0602480 1.0268965), wk = 0.0024272 k( 402) = ( -0.2619048 0.0662728 1.0268965), wk = 0.0024272 k( 403) = ( -0.2857143 0.0722976 1.0268965), wk = 0.0024272 k( 404) = ( -0.3095238 0.0783224 1.0268965), wk = 0.0024272 k( 405) = ( -0.3333333 0.0843472 1.0268965), wk = 0.0024272 k( 406) = ( -0.3571429 0.0903720 1.0268965), wk = 0.0024272 k( 407) = ( -0.3809524 0.0963969 1.0268965), wk = 0.0024272 k( 408) = ( -0.4047619 0.1024217 1.0268965), wk = 0.0024272 k( 409) = ( -0.4285714 0.1084465 1.0268965), wk = 0.0024272 k( 410) = ( -0.4523810 0.1144713 1.0268965), wk = 0.0024272 k( 411) = ( -0.4761905 0.1204961 1.0268965), wk = 0.0024272 k( 412) = ( -0.5000000 0.1265209 1.0268965), wk = 0.0024272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0059113 0.0059113 0.0000000), wk = 0.0024272 k( 3) = ( 0.0118226 0.0118226 0.0000000), wk = 0.0024272 k( 4) = ( 0.0177338 0.0177338 -0.0000000), wk = 0.0024272 k( 5) = ( 0.0236451 0.0236451 0.0000000), wk = 0.0024272 k( 6) = ( 0.0295564 0.0295564 0.0000000), wk = 0.0024272 k( 7) = ( 0.0354677 0.0354677 0.0000000), wk = 0.0024272 k( 8) = ( 0.0413789 0.0413790 0.0000000), wk = 0.0024272 k( 9) = ( 0.0472902 0.0472902 0.0000000), wk = 0.0024272 k( 10) = ( 0.0532015 0.0532015 -0.0000000), wk = 0.0024272 k( 11) = ( 0.0591128 0.0591128 0.0000000), wk = 0.0024272 k( 12) = ( 0.0650241 0.0650241 0.0000000), wk = 0.0024272 k( 13) = ( 0.0709353 0.0709353 0.0000000), wk = 0.0024272 k( 14) = ( 0.0768466 0.0768466 -0.0000000), wk = 0.0024272 k( 15) = ( 0.0827579 0.0827579 0.0000000), wk = 0.0024272 k( 16) = ( 0.0886692 0.0886692 -0.0000000), wk = 0.0024272 k( 17) = ( 0.0945805 0.0945805 0.0000000), wk = 0.0024272 k( 18) = ( 0.1004917 0.1004917 0.0000000), wk = 0.0024272 k( 19) = ( 0.1064030 0.1064030 0.0000000), wk = 0.0024272 k( 20) = ( 0.1123143 0.1123143 -0.0000000), wk = 0.0024272 k( 21) = ( 0.1182256 0.1182256 -0.0000000), wk = 0.0024272 k( 22) = ( 0.1241369 0.1241369 0.0000000), wk = 0.0024272 k( 23) = ( 0.1300481 0.1300481 -0.0000000), wk = 0.0024272 k( 24) = ( 0.1359594 0.1359594 -0.0000000), wk = 0.0024272 k( 25) = ( 0.1418707 0.1418707 0.0000000), wk = 0.0024272 k( 26) = ( 0.1477820 0.1477820 0.0000000), wk = 0.0024272 k( 27) = ( 0.1536932 0.1536932 -0.0000000), wk = 0.0024272 k( 28) = ( 0.1596045 0.1596045 -0.0000000), wk = 0.0024272 k( 29) = ( 0.1655158 0.1655158 0.0000000), wk = 0.0024272 k( 30) = ( 0.1714271 0.1714271 -0.0000000), wk = 0.0024272 k( 31) = ( 0.1773384 0.1773384 -0.0000000), wk = 0.0024272 k( 32) = ( 0.1832496 0.1832496 -0.0000000), wk = 0.0024272 k( 33) = ( 0.1891609 0.1891609 0.0000000), wk = 0.0024272 k( 34) = ( 0.1950722 0.1950722 -0.0000000), wk = 0.0024272 k( 35) = ( 0.2009835 0.2009835 -0.0000000), wk = 0.0024272 k( 36) = ( 0.2068947 0.2068947 0.0000000), wk = 0.0024272 k( 37) = ( 0.2128060 0.2128060 0.0000000), wk = 0.0024272 k( 38) = ( 0.2187173 0.2187173 -0.0000000), wk = 0.0024272 k( 39) = ( 0.2246286 0.2246286 -0.0000000), wk = 0.0024272 k( 40) = ( 0.2305399 0.2305399 0.0000000), wk = 0.0024272 k( 41) = ( 0.2364511 0.2364511 -0.0000000), wk = 0.0024272 k( 42) = ( 0.2423624 0.2423624 -0.0000000), wk = 0.0024272 k( 43) = ( 0.2482737 0.2482737 -0.0000000), wk = 0.0024272 k( 44) = ( 0.2541850 0.2541850 -0.0000000), wk = 0.0024272 k( 45) = ( 0.2600962 0.2600962 0.0000000), wk = 0.0024272 k( 46) = ( 0.2660075 0.2660075 -0.0000000), wk = 0.0024272 k( 47) = ( 0.2660075 0.2660075 -0.0000000), wk = 0.0024272 k( 48) = ( 0.2418250 0.2872796 0.0000000), wk = 0.0024272 k( 49) = ( 0.2176425 0.3085516 0.0000000), wk = 0.0024272 k( 50) = ( 0.1934600 0.3298237 0.0000000), wk = 0.0024272 k( 51) = ( 0.1692775 0.3510957 -0.0000000), wk = 0.0024272 k( 52) = ( 0.1450950 0.3723677 -0.0000000), wk = 0.0024272 k( 53) = ( 0.1209125 0.3936398 0.0000000), wk = 0.0024272 k( 54) = ( 0.0967300 0.4149118 -0.0000000), wk = 0.0024272 k( 55) = ( 0.0725475 0.4361839 -0.0000000), wk = 0.0024272 k( 56) = ( 0.0483650 0.4574559 -0.0000000), wk = 0.0024272 k( 57) = ( 0.0241825 0.4787280 0.0000000), wk = 0.0024272 k( 58) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 59) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 60) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0024272 k( 61) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0024272 k( 62) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0024272 k( 63) = ( 0.0000000 0.5000000 0.0476190), wk = 0.0024272 k( 64) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0024272 k( 65) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0024272 k( 66) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0024272 k( 67) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0024272 k( 68) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0024272 k( 69) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0024272 k( 70) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0024272 k( 71) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0024272 k( 72) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0024272 k( 73) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024272 k( 74) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0024272 k( 75) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0024272 k( 76) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0024272 k( 77) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0024272 k( 78) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0024272 k( 79) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0024272 k( 80) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024272 k( 81) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0024272 k( 82) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0024272 k( 83) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0024272 k( 84) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0024272 k( 85) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0024272 k( 86) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0024272 k( 87) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024272 k( 88) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0024272 k( 89) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0024272 k( 90) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0024272 k( 91) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0024272 k( 92) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0024272 k( 93) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0024272 k( 94) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0024272 k( 95) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0024272 k( 96) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0024272 k( 97) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0024272 k( 98) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0024272 k( 99) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0024272 k( 100) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0024272 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 102) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 103) = ( 0.0241825 0.4787280 0.5000000), wk = 0.0024272 k( 104) = ( 0.0483650 0.4574559 0.5000000), wk = 0.0024272 k( 105) = ( 0.0725475 0.4361839 0.5000000), wk = 0.0024272 k( 106) = ( 0.0967300 0.4149118 0.5000000), wk = 0.0024272 k( 107) = ( 0.1209125 0.3936398 0.5000000), wk = 0.0024272 k( 108) = ( 0.1450950 0.3723677 0.5000000), wk = 0.0024272 k( 109) = ( 0.1692775 0.3510957 0.5000000), wk = 0.0024272 k( 110) = ( 0.1934600 0.3298237 0.5000000), wk = 0.0024272 k( 111) = ( 0.2176425 0.3085516 0.5000000), wk = 0.0024272 k( 112) = ( 0.2418250 0.2872796 0.5000000), wk = 0.0024272 k( 113) = ( 0.2660075 0.2660075 0.5000000), wk = 0.0024272 k( 114) = ( 0.2660075 0.2660075 0.5000000), wk = 0.0024272 k( 115) = ( 0.2600962 0.2600962 0.5000000), wk = 0.0024272 k( 116) = ( 0.2541850 0.2541850 0.5000000), wk = 0.0024272 k( 117) = ( 0.2482737 0.2482737 0.5000000), wk = 0.0024272 k( 118) = ( 0.2423624 0.2423624 0.5000000), wk = 0.0024272 k( 119) = ( 0.2364511 0.2364511 0.5000000), wk = 0.0024272 k( 120) = ( 0.2305399 0.2305399 0.5000000), wk = 0.0024272 k( 121) = ( 0.2246286 0.2246286 0.5000000), wk = 0.0024272 k( 122) = ( 0.2187173 0.2187173 0.5000000), wk = 0.0024272 k( 123) = ( 0.2128060 0.2128060 0.5000000), wk = 0.0024272 k( 124) = ( 0.2068947 0.2068947 0.5000000), wk = 0.0024272 k( 125) = ( 0.2009835 0.2009835 0.5000000), wk = 0.0024272 k( 126) = ( 0.1950722 0.1950722 0.5000000), wk = 0.0024272 k( 127) = ( 0.1891609 0.1891609 0.5000000), wk = 0.0024272 k( 128) = ( 0.1832496 0.1832496 0.5000000), wk = 0.0024272 k( 129) = ( 0.1773384 0.1773384 0.5000000), wk = 0.0024272 k( 130) = ( 0.1714271 0.1714271 0.5000000), wk = 0.0024272 k( 131) = ( 0.1655158 0.1655158 0.5000000), wk = 0.0024272 k( 132) = ( 0.1596045 0.1596045 0.5000000), wk = 0.0024272 k( 133) = ( 0.1536932 0.1536932 0.5000000), wk = 0.0024272 k( 134) = ( 0.1477820 0.1477820 0.5000000), wk = 0.0024272 k( 135) = ( 0.1418707 0.1418707 0.5000000), wk = 0.0024272 k( 136) = ( 0.1359594 0.1359594 0.5000000), wk = 0.0024272 k( 137) = ( 0.1300481 0.1300481 0.5000000), wk = 0.0024272 k( 138) = ( 0.1241369 0.1241369 0.5000000), wk = 0.0024272 k( 139) = ( 0.1182256 0.1182256 0.5000000), wk = 0.0024272 k( 140) = ( 0.1123143 0.1123143 0.5000000), wk = 0.0024272 k( 141) = ( 0.1064030 0.1064030 0.5000000), wk = 0.0024272 k( 142) = ( 0.1004917 0.1004917 0.5000000), wk = 0.0024272 k( 143) = ( 0.0945805 0.0945805 0.5000000), wk = 0.0024272 k( 144) = ( 0.0886692 0.0886692 0.5000000), wk = 0.0024272 k( 145) = ( 0.0827579 0.0827579 0.5000000), wk = 0.0024272 k( 146) = ( 0.0768466 0.0768466 0.5000000), wk = 0.0024272 k( 147) = ( 0.0709353 0.0709353 0.5000000), wk = 0.0024272 k( 148) = ( 0.0650241 0.0650241 0.5000000), wk = 0.0024272 k( 149) = ( 0.0591128 0.0591128 0.5000000), wk = 0.0024272 k( 150) = ( 0.0532015 0.0532015 0.5000000), wk = 0.0024272 k( 151) = ( 0.0472902 0.0472902 0.5000000), wk = 0.0024272 k( 152) = ( 0.0413789 0.0413790 0.5000000), wk = 0.0024272 k( 153) = ( 0.0354677 0.0354677 0.5000000), wk = 0.0024272 k( 154) = ( 0.0295564 0.0295564 0.5000000), wk = 0.0024272 k( 155) = ( 0.0236451 0.0236451 0.5000000), wk = 0.0024272 k( 156) = ( 0.0177338 0.0177338 0.5000000), wk = 0.0024272 k( 157) = ( 0.0118226 0.0118226 0.5000000), wk = 0.0024272 k( 158) = ( 0.0059113 0.0059113 0.5000000), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024272 k( 179) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0024272 k( 180) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0024272 k( 181) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024272 k( 182) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0024272 k( 183) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0024272 k( 184) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024272 k( 185) = ( 0.0000000 0.0000000 0.2023809), wk = 0.0024272 k( 186) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0024272 k( 187) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0024272 k( 188) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024272 k( 189) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0024272 k( 190) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024272 k( 191) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0024272 k( 192) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0024272 k( 193) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0024272 k( 194) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0024272 k( 195) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024272 k( 196) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024272 k( 197) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0024272 k( 198) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0024272 k( 199) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0024272 k( 200) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0024272 k( 201) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0024272 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 204) = ( -0.0238095 0.0238095 -0.0000000), wk = 0.0024272 k( 205) = ( -0.0476191 0.0476191 -0.0000000), wk = 0.0024272 k( 206) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0024272 k( 207) = ( -0.0952381 0.0952381 -0.0000000), wk = 0.0024272 k( 208) = ( -0.1190476 0.1190476 0.0000000), wk = 0.0024272 k( 209) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0024272 k( 210) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0024272 k( 211) = ( -0.1904762 0.1904762 0.0000000), wk = 0.0024272 k( 212) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0024272 k( 213) = ( -0.2380952 0.2380952 0.0000000), wk = 0.0024272 k( 214) = ( -0.2619048 0.2619048 -0.0000000), wk = 0.0024272 k( 215) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0024272 k( 216) = ( -0.3095238 0.3095238 0.0000000), wk = 0.0024272 k( 217) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0024272 k( 218) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0024272 k( 219) = ( -0.3809524 0.3809524 0.0000000), wk = 0.0024272 k( 220) = ( -0.4047619 0.4047619 0.0000000), wk = 0.0024272 k( 221) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0024272 k( 222) = ( -0.4523810 0.4523810 -0.0000000), wk = 0.0024272 k( 223) = ( -0.4761905 0.4761905 0.0000000), wk = 0.0024272 k( 224) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 225) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 226) = ( -0.4940002 0.5059998 -0.0000000), wk = 0.0024272 k( 227) = ( -0.4880004 0.5119996 -0.0000000), wk = 0.0024272 k( 228) = ( -0.4820006 0.5179994 -0.0000000), wk = 0.0024272 k( 229) = ( -0.4760008 0.5239992 0.0000000), wk = 0.0024272 k( 230) = ( -0.4700010 0.5299990 -0.0000000), wk = 0.0024272 k( 231) = ( -0.4640012 0.5359988 0.0000000), wk = 0.0024272 k( 232) = ( -0.4580013 0.5419987 0.0000000), wk = 0.0024272 k( 233) = ( -0.4520015 0.5479985 -0.0000000), wk = 0.0024272 k( 234) = ( -0.4460017 0.5539983 -0.0000000), wk = 0.0024272 k( 235) = ( -0.4400019 0.5599981 0.0000000), wk = 0.0024272 k( 236) = ( -0.4340021 0.5659979 0.0000000), wk = 0.0024272 k( 237) = ( -0.4280023 0.5719977 -0.0000000), wk = 0.0024272 k( 238) = ( -0.4220025 0.5779975 0.0000000), wk = 0.0024272 k( 239) = ( -0.4160027 0.5839973 0.0000000), wk = 0.0024272 k( 240) = ( -0.4100029 0.5899971 -0.0000000), wk = 0.0024272 k( 241) = ( -0.4040031 0.5959969 -0.0000000), wk = 0.0024272 k( 242) = ( -0.3980033 0.6019967 -0.0000000), wk = 0.0024272 k( 243) = ( -0.3920035 0.6079965 0.0000000), wk = 0.0024272 k( 244) = ( -0.3860037 0.6139963 -0.0000000), wk = 0.0024272 k( 245) = ( -0.3800039 0.6199961 -0.0000000), wk = 0.0024272 k( 246) = ( -0.3740040 0.6259959 0.0000000), wk = 0.0024272 k( 247) = ( -0.3680042 0.6319957 -0.0000000), wk = 0.0024272 k( 248) = ( -0.3620044 0.6379956 0.0000000), wk = 0.0024272 k( 249) = ( -0.3560046 0.6439954 -0.0000000), wk = 0.0024272 k( 250) = ( -0.3500048 0.6499952 -0.0000000), wk = 0.0024272 k( 251) = ( -0.3440050 0.6559950 0.0000000), wk = 0.0024272 k( 252) = ( -0.3380052 0.6619948 -0.0000000), wk = 0.0024272 k( 253) = ( -0.3320054 0.6679946 -0.0000000), wk = 0.0024272 k( 254) = ( -0.3260056 0.6739944 -0.0000000), wk = 0.0024272 k( 255) = ( -0.3200058 0.6799942 0.0000000), wk = 0.0024272 k( 256) = ( -0.3140060 0.6859940 -0.0000000), wk = 0.0024272 k( 257) = ( -0.3080062 0.6919938 -0.0000000), wk = 0.0024272 k( 258) = ( -0.3020064 0.6979936 0.0000000), wk = 0.0024272 k( 259) = ( -0.2960066 0.7039934 -0.0000000), wk = 0.0024272 k( 260) = ( -0.2900068 0.7099932 -0.0000000), wk = 0.0024272 k( 261) = ( -0.2840069 0.7159931 0.0000000), wk = 0.0024272 k( 262) = ( -0.2780071 0.7219929 -0.0000000), wk = 0.0024272 k( 263) = ( -0.2720073 0.7279927 0.0000000), wk = 0.0024272 k( 264) = ( -0.2660075 0.7339925 0.0000000), wk = 0.0024272 k( 265) = ( -0.2660075 0.7339925 0.0000000), wk = 0.0024272 k( 266) = ( -0.2660075 0.7339925 0.0119048), wk = 0.0024272 k( 267) = ( -0.2660075 0.7339925 0.0238095), wk = 0.0024272 k( 268) = ( -0.2660075 0.7339925 0.0357143), wk = 0.0024272 k( 269) = ( -0.2660075 0.7339925 0.0476191), wk = 0.0024272 k( 270) = ( -0.2660075 0.7339925 0.0595238), wk = 0.0024272 k( 271) = ( -0.2660075 0.7339925 0.0714286), wk = 0.0024272 k( 272) = ( -0.2660075 0.7339925 0.0833333), wk = 0.0024272 k( 273) = ( -0.2660075 0.7339925 0.0952381), wk = 0.0024272 k( 274) = ( -0.2660075 0.7339925 0.1071429), wk = 0.0024272 k( 275) = ( -0.2660075 0.7339925 0.1190476), wk = 0.0024272 k( 276) = ( -0.2660075 0.7339925 0.1309524), wk = 0.0024272 k( 277) = ( -0.2660075 0.7339925 0.1428571), wk = 0.0024272 k( 278) = ( -0.2660075 0.7339925 0.1547619), wk = 0.0024272 k( 279) = ( -0.2660075 0.7339925 0.1666667), wk = 0.0024272 k( 280) = ( -0.2660075 0.7339925 0.1785714), wk = 0.0024272 k( 281) = ( -0.2660075 0.7339925 0.1904762), wk = 0.0024272 k( 282) = ( -0.2660075 0.7339925 0.2023809), wk = 0.0024272 k( 283) = ( -0.2660075 0.7339925 0.2142857), wk = 0.0024272 k( 284) = ( -0.2660075 0.7339925 0.2261905), wk = 0.0024272 k( 285) = ( -0.2660075 0.7339925 0.2380952), wk = 0.0024272 k( 286) = ( -0.2660075 0.7339925 0.2500000), wk = 0.0024272 k( 287) = ( -0.2660075 0.7339925 0.2619048), wk = 0.0024272 k( 288) = ( -0.2660075 0.7339925 0.2738095), wk = 0.0024272 k( 289) = ( -0.2660075 0.7339925 0.2857143), wk = 0.0024272 k( 290) = ( -0.2660075 0.7339925 0.2976190), wk = 0.0024272 k( 291) = ( -0.2660075 0.7339925 0.3095238), wk = 0.0024272 k( 292) = ( -0.2660075 0.7339925 0.3214286), wk = 0.0024272 k( 293) = ( -0.2660075 0.7339925 0.3333333), wk = 0.0024272 k( 294) = ( -0.2660075 0.7339925 0.3452381), wk = 0.0024272 k( 295) = ( -0.2660075 0.7339925 0.3571429), wk = 0.0024272 k( 296) = ( -0.2660075 0.7339925 0.3690476), wk = 0.0024272 k( 297) = ( -0.2660075 0.7339925 0.3809524), wk = 0.0024272 k( 298) = ( -0.2660075 0.7339925 0.3928571), wk = 0.0024272 k( 299) = ( -0.2660075 0.7339925 0.4047619), wk = 0.0024272 k( 300) = ( -0.2660075 0.7339925 0.4166667), wk = 0.0024272 k( 301) = ( -0.2660075 0.7339925 0.4285714), wk = 0.0024272 k( 302) = ( -0.2660075 0.7339925 0.4404762), wk = 0.0024272 k( 303) = ( -0.2660075 0.7339925 0.4523809), wk = 0.0024272 k( 304) = ( -0.2660075 0.7339925 0.4642857), wk = 0.0024272 k( 305) = ( -0.2660075 0.7339925 0.4761905), wk = 0.0024272 k( 306) = ( -0.2660075 0.7339925 0.4880952), wk = 0.0024272 k( 307) = ( -0.2660075 0.7339925 0.5000000), wk = 0.0024272 k( 308) = ( -0.2660075 0.7339925 0.5000000), wk = 0.0024272 k( 309) = ( -0.2720073 0.7279927 0.5000000), wk = 0.0024272 k( 310) = ( -0.2780071 0.7219929 0.5000000), wk = 0.0024272 k( 311) = ( -0.2840069 0.7159931 0.5000000), wk = 0.0024272 k( 312) = ( -0.2900068 0.7099932 0.5000000), wk = 0.0024272 k( 313) = ( -0.2960066 0.7039934 0.5000000), wk = 0.0024272 k( 314) = ( -0.3020064 0.6979936 0.5000000), wk = 0.0024272 k( 315) = ( -0.3080062 0.6919938 0.5000000), wk = 0.0024272 k( 316) = ( -0.3140060 0.6859940 0.5000000), wk = 0.0024272 k( 317) = ( -0.3200058 0.6799942 0.5000000), wk = 0.0024272 k( 318) = ( -0.3260056 0.6739944 0.5000000), wk = 0.0024272 k( 319) = ( -0.3320054 0.6679946 0.5000000), wk = 0.0024272 k( 320) = ( -0.3380052 0.6619948 0.5000000), wk = 0.0024272 k( 321) = ( -0.3440050 0.6559950 0.5000000), wk = 0.0024272 k( 322) = ( -0.3500048 0.6499952 0.5000000), wk = 0.0024272 k( 323) = ( -0.3560046 0.6439954 0.5000000), wk = 0.0024272 k( 324) = ( -0.3620044 0.6379956 0.5000000), wk = 0.0024272 k( 325) = ( -0.3680042 0.6319957 0.5000000), wk = 0.0024272 k( 326) = ( -0.3740040 0.6259959 0.5000000), wk = 0.0024272 k( 327) = ( -0.3800039 0.6199961 0.5000000), wk = 0.0024272 k( 328) = ( -0.3860037 0.6139963 0.5000000), wk = 0.0024272 k( 329) = ( -0.3920035 0.6079965 0.5000000), wk = 0.0024272 k( 330) = ( -0.3980033 0.6019967 0.5000000), wk = 0.0024272 k( 331) = ( -0.4040031 0.5959969 0.5000000), wk = 0.0024272 k( 332) = ( -0.4100029 0.5899971 0.5000000), wk = 0.0024272 k( 333) = ( -0.4160027 0.5839973 0.5000000), wk = 0.0024272 k( 334) = ( -0.4220025 0.5779975 0.5000000), wk = 0.0024272 k( 335) = ( -0.4280023 0.5719977 0.5000000), wk = 0.0024272 k( 336) = ( -0.4340021 0.5659979 0.5000000), wk = 0.0024272 k( 337) = ( -0.4400019 0.5599981 0.5000000), wk = 0.0024272 k( 338) = ( -0.4460017 0.5539983 0.5000000), wk = 0.0024272 k( 339) = ( -0.4520015 0.5479985 0.5000000), wk = 0.0024272 k( 340) = ( -0.4580013 0.5419987 0.5000000), wk = 0.0024272 k( 341) = ( -0.4640012 0.5359988 0.5000000), wk = 0.0024272 k( 342) = ( -0.4700010 0.5299990 0.5000000), wk = 0.0024272 k( 343) = ( -0.4760008 0.5239992 0.5000000), wk = 0.0024272 k( 344) = ( -0.4820006 0.5179994 0.5000000), wk = 0.0024272 k( 345) = ( -0.4880004 0.5119996 0.5000000), wk = 0.0024272 k( 346) = ( -0.4940002 0.5059998 0.5000000), wk = 0.0024272 k( 347) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 348) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 349) = ( -0.5000000 0.5000000 0.4880952), wk = 0.0024272 k( 350) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0024272 k( 351) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0024272 k( 352) = ( -0.5000000 0.5000000 0.4523810), wk = 0.0024272 k( 353) = ( -0.5000000 0.5000000 0.4404762), wk = 0.0024272 k( 354) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0024272 k( 355) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0024272 k( 356) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0024272 k( 357) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0024272 k( 358) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0024272 k( 359) = ( -0.5000000 0.5000000 0.3690476), wk = 0.0024272 k( 360) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0024272 k( 361) = ( -0.5000000 0.5000000 0.3452381), wk = 0.0024272 k( 362) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0024272 k( 363) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0024272 k( 364) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0024272 k( 365) = ( -0.5000000 0.5000000 0.2976190), wk = 0.0024272 k( 366) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0024272 k( 367) = ( -0.5000000 0.5000000 0.2738095), wk = 0.0024272 k( 368) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0024272 k( 369) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024272 k( 370) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0024272 k( 371) = ( -0.5000000 0.5000000 0.2261905), wk = 0.0024272 k( 372) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0024272 k( 373) = ( -0.5000000 0.5000000 0.2023809), wk = 0.0024272 k( 374) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0024272 k( 375) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0024272 k( 376) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0024272 k( 377) = ( -0.5000000 0.5000000 0.1547619), wk = 0.0024272 k( 378) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0024272 k( 379) = ( -0.5000000 0.5000000 0.1309524), wk = 0.0024272 k( 380) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0024272 k( 381) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0024272 k( 382) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0024272 k( 383) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0024272 k( 384) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0024272 k( 385) = ( -0.5000000 0.5000000 0.0595238), wk = 0.0024272 k( 386) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0024272 k( 387) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0024272 k( 388) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0024272 k( 389) = ( -0.5000000 0.5000000 0.0119048), wk = 0.0024272 k( 390) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 391) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 392) = ( -0.0238095 0.0238095 0.5000000), wk = 0.0024272 k( 393) = ( -0.0476191 0.0476191 0.5000000), wk = 0.0024272 k( 394) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0024272 k( 395) = ( -0.0952381 0.0952381 0.5000000), wk = 0.0024272 k( 396) = ( -0.1190476 0.1190476 0.5000000), wk = 0.0024272 k( 397) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0024272 k( 398) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0024272 k( 399) = ( -0.1904762 0.1904762 0.5000000), wk = 0.0024272 k( 400) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0024272 k( 401) = ( -0.2380952 0.2380952 0.5000000), wk = 0.0024272 k( 402) = ( -0.2619048 0.2619048 0.5000000), wk = 0.0024272 k( 403) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0024272 k( 404) = ( -0.3095238 0.3095238 0.5000000), wk = 0.0024272 k( 405) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0024272 k( 406) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0024272 k( 407) = ( -0.3809524 0.3809524 0.5000000), wk = 0.0024272 k( 408) = ( -0.4047619 0.4047619 0.5000000), wk = 0.0024272 k( 409) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0024272 k( 410) = ( -0.4523810 0.4523810 0.5000000), wk = 0.0024272 k( 411) = ( -0.4761905 0.4761905 0.5000000), wk = 0.0024272 k( 412) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024272 Dense grid: 34333 G-vectors FFT dimensions: ( 72, 72, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 256, 32) NL pseudopotentials 0.17 Mb ( 128, 88) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 955) G-vector shells 0.00 Mb ( 482) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 256, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.09 Mb ( 88, 2, 32) The potential is recalculated from file : ./ZrGe2.save/charge-density.dat Starting wfc are 68 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 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.4 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.2 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 7.0 secs Computing kpt #: 16 total cpu time spent up to now is 7.4 secs Computing kpt #: 17 total cpu time spent up to now is 7.8 secs Computing kpt #: 18 total cpu time spent up to now is 8.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.0 secs Computing kpt #: 20 total cpu time spent up to now is 9.5 secs Computing kpt #: 21 total cpu time spent up to now is 9.9 secs Computing kpt #: 22 total cpu time spent up to now is 10.2 secs Computing kpt #: 23 total cpu time spent up to now is 10.6 secs Computing kpt #: 24 total cpu time spent up to now is 10.9 secs Computing kpt #: 25 total cpu time spent up to now is 11.3 secs Computing kpt #: 26 total cpu time spent up to now is 11.7 secs Computing kpt #: 27 total cpu time spent up to now is 12.1 secs Computing kpt #: 28 total cpu time spent up to now is 12.5 secs Computing kpt #: 29 total cpu time spent up to now is 12.8 secs Computing kpt #: 30 total cpu time spent up to now is 13.1 secs Computing kpt #: 31 total cpu time spent up to now is 13.5 secs Computing kpt #: 32 total cpu time spent up to now is 13.8 secs Computing kpt #: 33 total cpu time spent up to now is 14.1 secs Computing kpt #: 34 total cpu time spent up to now is 14.4 secs Computing kpt #: 35 total cpu time spent up to now is 14.8 secs Computing kpt #: 36 total cpu time spent up to now is 15.1 secs Computing kpt #: 37 total cpu time spent up to now is 15.4 secs Computing kpt #: 38 total cpu time spent up to now is 15.7 secs Computing kpt #: 39 total cpu time spent up to now is 16.1 secs Computing kpt #: 40 total cpu time spent up to now is 16.4 secs Computing kpt #: 41 total cpu time spent up to now is 16.8 secs Computing kpt #: 42 total cpu time spent up to now is 17.2 secs Computing kpt #: 43 total cpu time spent up to now is 17.6 secs Computing kpt #: 44 total cpu time spent up to now is 18.1 secs Computing kpt #: 45 total cpu time spent up to now is 18.6 secs Computing kpt #: 46 total cpu time spent up to now is 19.0 secs Computing kpt #: 47 total cpu time spent up to now is 19.4 secs Computing kpt #: 48 total cpu time spent up to now is 19.8 secs Computing kpt #: 49 total cpu time spent up to now is 20.2 secs Computing kpt #: 50 total cpu time spent up to now is 20.6 secs Computing kpt #: 51 total cpu time spent up to now is 21.1 secs Computing kpt #: 52 total cpu time spent up to now is 21.7 secs Computing kpt #: 53 total cpu time spent up to now is 22.1 secs Computing kpt #: 54 total cpu time spent up to now is 22.7 secs Computing kpt #: 55 total cpu time spent up to now is 23.1 secs Computing kpt #: 56 total cpu time spent up to now is 23.8 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.8 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.8 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 27.1 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 28.1 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.1 secs Computing kpt #: 62 total cpu time spent up to now is 29.6 secs Computing kpt #: 63 total cpu time spent up to now is 30.1 secs Computing kpt #: 64 total cpu time spent up to now is 30.5 secs Computing kpt #: 65 total cpu time spent up to now is 30.9 secs Computing kpt #: 66 total cpu time spent up to now is 31.3 secs Computing kpt #: 67 total cpu time spent up to now is 31.9 secs Computing kpt #: 68 total cpu time spent up to now is 32.3 secs Computing kpt #: 69 total cpu time spent up to now is 32.7 secs Computing kpt #: 70 total cpu time spent up to now is 33.1 secs Computing kpt #: 71 total cpu time spent up to now is 33.5 secs Computing kpt #: 72 total cpu time spent up to now is 33.9 secs Computing kpt #: 73 total cpu time spent up to now is 34.2 secs Computing kpt #: 74 total cpu time spent up to now is 34.6 secs Computing kpt #: 75 total cpu time spent up to now is 35.0 secs Computing kpt #: 76 total cpu time spent up to now is 35.3 secs Computing kpt #: 77 total cpu time spent up to now is 35.7 secs Computing kpt #: 78 total cpu time spent up to now is 36.0 secs Computing kpt #: 79 total cpu time spent up to now is 36.4 secs Computing kpt #: 80 total cpu time spent up to now is 36.8 secs Computing kpt #: 81 total cpu time spent up to now is 37.2 secs Computing kpt #: 82 total cpu time spent up to now is 37.5 secs Computing kpt #: 83 total cpu time spent up to now is 37.9 secs Computing kpt #: 84 total cpu time spent up to now is 38.3 secs Computing kpt #: 85 total cpu time spent up to now is 38.7 secs Computing kpt #: 86 total cpu time spent up to now is 39.2 secs Computing kpt #: 87 total cpu time spent up to now is 39.6 secs Computing kpt #: 88 total cpu time spent up to now is 40.0 secs Computing kpt #: 89 total cpu time spent up to now is 40.6 secs Computing kpt #: 90 total cpu time spent up to now is 41.0 secs Computing kpt #: 91 total cpu time spent up to now is 42.0 secs Computing kpt #: 92 total cpu time spent up to now is 42.4 secs Computing kpt #: 93 total cpu time spent up to now is 43.2 secs Computing kpt #: 94 total cpu time spent up to now is 43.9 secs Computing kpt #: 95 total cpu time spent up to now is 44.7 secs Computing kpt #: 96 total cpu time spent up to now is 45.6 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.6 secs Computing kpt #: 98 total cpu time spent up to now is 47.4 secs Computing kpt #: 99 total cpu time spent up to now is 48.3 secs Computing kpt #: 100 total cpu time spent up to now is 48.9 secs Computing kpt #: 101 total cpu time spent up to now is 49.5 secs Computing kpt #: 102 total cpu time spent up to now is 50.2 secs Computing kpt #: 103 total cpu time spent up to now is 50.8 secs Computing kpt #: 104 total cpu time spent up to now is 51.4 secs Computing kpt #: 105 total cpu time spent up to now is 52.1 secs Computing kpt #: 106 total cpu time spent up to now is 52.7 secs Computing kpt #: 107 total cpu time spent up to now is 53.4 secs Computing kpt #: 108 total cpu time spent up to now is 54.0 secs Computing kpt #: 109 total cpu time spent up to now is 54.7 secs Computing kpt #: 110 total cpu time spent up to now is 55.3 secs Computing kpt #: 111 total cpu time spent up to now is 55.8 secs Computing kpt #: 112 total cpu time spent up to now is 56.4 secs Computing kpt #: 113 total cpu time spent up to now is 56.9 secs Computing kpt #: 114 total cpu time spent up to now is 57.4 secs Computing kpt #: 115 total cpu time spent up to now is 58.1 secs Computing kpt #: 116 total cpu time spent up to now is 58.7 secs Computing kpt #: 117 total cpu time spent up to now is 59.3 secs Computing kpt #: 118 total cpu time spent up to now is 59.8 secs Computing kpt #: 119 total cpu time spent up to now is 60.3 secs Computing kpt #: 120 total cpu time spent up to now is 60.7 secs Computing kpt #: 121 total cpu time spent up to now is 61.1 secs Computing kpt #: 122 total cpu time spent up to now is 61.6 secs Computing kpt #: 123 total cpu time spent up to now is 61.9 secs Computing kpt #: 124 total cpu time spent up to now is 62.3 secs Computing kpt #: 125 total cpu time spent up to now is 62.7 secs Computing kpt #: 126 total cpu time spent up to now is 63.1 secs Computing kpt #: 127 total cpu time spent up to now is 63.5 secs Computing kpt #: 128 total cpu time spent up to now is 63.9 secs Computing kpt #: 129 total cpu time spent up to now is 64.3 secs Computing kpt #: 130 total cpu time spent up to now is 64.7 secs Computing kpt #: 131 total cpu time spent up to now is 65.0 secs Computing kpt #: 132 total cpu time spent up to now is 65.4 secs Computing kpt #: 133 total cpu time spent up to now is 65.8 secs Computing kpt #: 134 total cpu time spent up to now is 66.1 secs Computing kpt #: 135 total cpu time spent up to now is 66.5 secs Computing kpt #: 136 total cpu time spent up to now is 66.9 secs Computing kpt #: 137 total cpu time spent up to now is 67.2 secs Computing kpt #: 138 total cpu time spent up to now is 67.6 secs Computing kpt #: 139 total cpu time spent up to now is 68.0 secs Computing kpt #: 140 total cpu time spent up to now is 68.4 secs Computing kpt #: 141 total cpu time spent up to now is 68.8 secs Computing kpt #: 142 total cpu time spent up to now is 69.3 secs Computing kpt #: 143 total cpu time spent up to now is 69.7 secs Computing kpt #: 144 total cpu time spent up to now is 70.1 secs Computing kpt #: 145 total cpu time spent up to now is 70.5 secs Computing kpt #: 146 total cpu time spent up to now is 71.0 secs Computing kpt #: 147 total cpu time spent up to now is 71.4 secs Computing kpt #: 148 total cpu time spent up to now is 71.8 secs Computing kpt #: 149 total cpu time spent up to now is 72.2 secs Computing kpt #: 150 total cpu time spent up to now is 72.6 secs Computing kpt #: 151 total cpu time spent up to now is 73.0 secs Computing kpt #: 152 total cpu time spent up to now is 73.4 secs Computing kpt #: 153 total cpu time spent up to now is 73.8 secs Computing kpt #: 154 total cpu time spent up to now is 74.1 secs Computing kpt #: 155 total cpu time spent up to now is 74.5 secs Computing kpt #: 156 total cpu time spent up to now is 74.9 secs Computing kpt #: 157 total cpu time spent up to now is 75.4 secs Computing kpt #: 158 total cpu time spent up to now is 75.9 secs Computing kpt #: 159 total cpu time spent up to now is 76.5 secs Computing kpt #: 160 total cpu time spent up to now is 77.0 secs Computing kpt #: 161 total cpu time spent up to now is 77.7 secs Computing kpt #: 162 total cpu time spent up to now is 78.2 secs Computing kpt #: 163 total cpu time spent up to now is 78.8 secs Computing kpt #: 164 total cpu time spent up to now is 79.3 secs Computing kpt #: 165 total cpu time spent up to now is 80.0 secs Computing kpt #: 166 total cpu time spent up to now is 80.6 secs Computing kpt #: 167 total cpu time spent up to now is 81.1 secs Computing kpt #: 168 total cpu time spent up to now is 81.7 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.7 secs Computing kpt #: 170 total cpu time spent up to now is 83.2 secs Computing kpt #: 171 total cpu time spent up to now is 83.7 secs Computing kpt #: 172 total cpu time spent up to now is 84.1 secs Computing kpt #: 173 total cpu time spent up to now is 84.6 secs Computing kpt #: 174 total cpu time spent up to now is 85.1 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.1 secs Computing kpt #: 176 total cpu time spent up to now is 86.6 secs Computing kpt #: 177 total cpu time spent up to now is 87.0 secs Computing kpt #: 178 total cpu time spent up to now is 87.4 secs Computing kpt #: 179 total cpu time spent up to now is 87.8 secs Computing kpt #: 180 total cpu time spent up to now is 88.1 secs Computing kpt #: 181 total cpu time spent up to now is 88.5 secs Computing kpt #: 182 total cpu time spent up to now is 88.9 secs Computing kpt #: 183 total cpu time spent up to now is 89.2 secs Computing kpt #: 184 total cpu time spent up to now is 89.6 secs Computing kpt #: 185 total cpu time spent up to now is 89.9 secs Computing kpt #: 186 total cpu time spent up to now is 90.3 secs Computing kpt #: 187 total cpu time spent up to now is 90.7 secs Computing kpt #: 188 total cpu time spent up to now is 91.1 secs Computing kpt #: 189 total cpu time spent up to now is 91.5 secs Computing kpt #: 190 total cpu time spent up to now is 91.9 secs Computing kpt #: 191 total cpu time spent up to now is 92.6 secs Computing kpt #: 192 total cpu time spent up to now is 93.0 secs Computing kpt #: 193 total cpu time spent up to now is 93.3 secs Computing kpt #: 194 total cpu time spent up to now is 93.7 secs Computing kpt #: 195 total cpu time spent up to now is 94.1 secs Computing kpt #: 196 total cpu time spent up to now is 94.5 secs Computing kpt #: 197 total cpu time spent up to now is 95.0 secs Computing kpt #: 198 total cpu time spent up to now is 95.4 secs Computing kpt #: 199 total cpu time spent up to now is 95.8 secs Computing kpt #: 200 total cpu time spent up to now is 96.3 secs Computing kpt #: 201 total cpu time spent up to now is 96.8 secs Computing kpt #: 202 total cpu time spent up to now is 97.3 secs Computing kpt #: 203 total cpu time spent up to now is 97.7 secs Computing kpt #: 204 total cpu time spent up to now is 98.3 secs Computing kpt #: 205 total cpu time spent up to now is 98.8 secs Computing kpt #: 206 total cpu time spent up to now is 99.3 secs Computing kpt #: 207 total cpu time spent up to now is 100.0 secs Computing kpt #: 208 total cpu time spent up to now is 100.3 secs Computing kpt #: 209 total cpu time spent up to now is 100.7 secs Computing kpt #: 210 total cpu time spent up to now is 101.1 secs Computing kpt #: 211 total cpu time spent up to now is 101.5 secs Computing kpt #: 212 total cpu time spent up to now is 101.8 secs Computing kpt #: 213 total cpu time spent up to now is 102.1 secs Computing kpt #: 214 total cpu time spent up to now is 102.5 secs Computing kpt #: 215 total cpu time spent up to now is 102.8 secs Computing kpt #: 216 total cpu time spent up to now is 103.2 secs Computing kpt #: 217 total cpu time spent up to now is 103.5 secs Computing kpt #: 218 total cpu time spent up to now is 103.9 secs Computing kpt #: 219 total cpu time spent up to now is 104.2 secs Computing kpt #: 220 total cpu time spent up to now is 104.6 secs Computing kpt #: 221 total cpu time spent up to now is 105.0 secs Computing kpt #: 222 total cpu time spent up to now is 105.3 secs Computing kpt #: 223 total cpu time spent up to now is 105.7 secs Computing kpt #: 224 total cpu time spent up to now is 106.0 secs Computing kpt #: 225 total cpu time spent up to now is 106.4 secs Computing kpt #: 226 total cpu time spent up to now is 106.7 secs Computing kpt #: 227 total cpu time spent up to now is 107.0 secs Computing kpt #: 228 total cpu time spent up to now is 107.4 secs Computing kpt #: 229 total cpu time spent up to now is 107.8 secs Computing kpt #: 230 total cpu time spent up to now is 108.2 secs Computing kpt #: 231 total cpu time spent up to now is 108.6 secs Computing kpt #: 232 total cpu time spent up to now is 109.0 secs Computing kpt #: 233 total cpu time spent up to now is 109.3 secs Computing kpt #: 234 total cpu time spent up to now is 109.6 secs Computing kpt #: 235 total cpu time spent up to now is 109.9 secs Computing kpt #: 236 total cpu time spent up to now is 110.2 secs Computing kpt #: 237 total cpu time spent up to now is 110.5 secs Computing kpt #: 238 total cpu time spent up to now is 110.8 secs Computing kpt #: 239 total cpu time spent up to now is 111.1 secs Computing kpt #: 240 total cpu time spent up to now is 111.4 secs Computing kpt #: 241 total cpu time spent up to now is 111.7 secs Computing kpt #: 242 total cpu time spent up to now is 112.0 secs Computing kpt #: 243 total cpu time spent up to now is 112.3 secs Computing kpt #: 244 total cpu time spent up to now is 112.6 secs Computing kpt #: 245 total cpu time spent up to now is 112.8 secs Computing kpt #: 246 total cpu time spent up to now is 113.1 secs Computing kpt #: 247 total cpu time spent up to now is 113.4 secs Computing kpt #: 248 total cpu time spent up to now is 113.7 secs Computing kpt #: 249 total cpu time spent up to now is 114.0 secs Computing kpt #: 250 total cpu time spent up to now is 114.4 secs Computing kpt #: 251 total cpu time spent up to now is 114.7 secs Computing kpt #: 252 total cpu time spent up to now is 115.0 secs Computing kpt #: 253 total cpu time spent up to now is 115.3 secs Computing kpt #: 254 total cpu time spent up to now is 115.6 secs Computing kpt #: 255 total cpu time spent up to now is 115.9 secs Computing kpt #: 256 total cpu time spent up to now is 116.2 secs Computing kpt #: 257 total cpu time spent up to now is 116.5 secs Computing kpt #: 258 total cpu time spent up to now is 116.8 secs Computing kpt #: 259 total cpu time spent up to now is 117.2 secs Computing kpt #: 260 total cpu time spent up to now is 117.5 secs Computing kpt #: 261 total cpu time spent up to now is 117.8 secs Computing kpt #: 262 total cpu time spent up to now is 118.2 secs Computing kpt #: 263 total cpu time spent up to now is 118.5 secs Computing kpt #: 264 total cpu time spent up to now is 118.9 secs Computing kpt #: 265 total cpu time spent up to now is 119.3 secs Computing kpt #: 266 total cpu time spent up to now is 120.0 secs Computing kpt #: 267 total cpu time spent up to now is 120.5 secs Computing kpt #: 268 total cpu time spent up to now is 120.9 secs Computing kpt #: 269 total cpu time spent up to now is 121.3 secs Computing kpt #: 270 total cpu time spent up to now is 121.8 secs Computing kpt #: 271 total cpu time spent up to now is 122.2 secs Computing kpt #: 272 total cpu time spent up to now is 122.6 secs Computing kpt #: 273 total cpu time spent up to now is 123.0 secs Computing kpt #: 274 total cpu time spent up to now is 123.4 secs Computing kpt #: 275 total cpu time spent up to now is 123.8 secs Computing kpt #: 276 total cpu time spent up to now is 124.2 secs Computing kpt #: 277 total cpu time spent up to now is 124.6 secs Computing kpt #: 278 total cpu time spent up to now is 125.0 secs Computing kpt #: 279 total cpu time spent up to now is 125.4 secs Computing kpt #: 280 total cpu time spent up to now is 125.8 secs Computing kpt #: 281 total cpu time spent up to now is 126.1 secs Computing kpt #: 282 total cpu time spent up to now is 126.5 secs Computing kpt #: 283 total cpu time spent up to now is 127.0 secs Computing kpt #: 284 total cpu time spent up to now is 127.4 secs Computing kpt #: 285 total cpu time spent up to now is 127.8 secs Computing kpt #: 286 total cpu time spent up to now is 128.2 secs Computing kpt #: 287 total cpu time spent up to now is 128.6 secs Computing kpt #: 288 total cpu time spent up to now is 129.1 secs Computing kpt #: 289 total cpu time spent up to now is 129.5 secs Computing kpt #: 290 total cpu time spent up to now is 129.9 secs Computing kpt #: 291 total cpu time spent up to now is 130.3 secs Computing kpt #: 292 total cpu time spent up to now is 130.7 secs Computing kpt #: 293 total cpu time spent up to now is 131.1 secs Computing kpt #: 294 total cpu time spent up to now is 131.6 secs Computing kpt #: 295 total cpu time spent up to now is 132.0 secs Computing kpt #: 296 total cpu time spent up to now is 132.5 secs Computing kpt #: 297 total cpu time spent up to now is 133.0 secs Computing kpt #: 298 total cpu time spent up to now is 133.5 secs Computing kpt #: 299 total cpu time spent up to now is 134.1 secs Computing kpt #: 300 total cpu time spent up to now is 134.7 secs Computing kpt #: 301 total cpu time spent up to now is 135.3 secs Computing kpt #: 302 total cpu time spent up to now is 135.9 secs Computing kpt #: 303 total cpu time spent up to now is 136.5 secs Computing kpt #: 304 total cpu time spent up to now is 137.1 secs Computing kpt #: 305 total cpu time spent up to now is 137.7 secs Computing kpt #: 306 total cpu time spent up to now is 138.3 secs Computing kpt #: 307 total cpu time spent up to now is 138.8 secs Computing kpt #: 308 total cpu time spent up to now is 139.3 secs Computing kpt #: 309 total cpu time spent up to now is 139.8 secs Computing kpt #: 310 total cpu time spent up to now is 140.2 secs Computing kpt #: 311 total cpu time spent up to now is 140.6 secs Computing kpt #: 312 total cpu time spent up to now is 141.0 secs Computing kpt #: 313 total cpu time spent up to now is 141.4 secs Computing kpt #: 314 total cpu time spent up to now is 141.9 secs Computing kpt #: 315 total cpu time spent up to now is 142.3 secs Computing kpt #: 316 total cpu time spent up to now is 142.7 secs Computing kpt #: 317 total cpu time spent up to now is 143.1 secs Computing kpt #: 318 total cpu time spent up to now is 143.5 secs Computing kpt #: 319 total cpu time spent up to now is 143.9 secs Computing kpt #: 320 total cpu time spent up to now is 144.3 secs Computing kpt #: 321 total cpu time spent up to now is 144.7 secs Computing kpt #: 322 total cpu time spent up to now is 145.1 secs Computing kpt #: 323 total cpu time spent up to now is 145.5 secs Computing kpt #: 324 total cpu time spent up to now is 145.9 secs Computing kpt #: 325 total cpu time spent up to now is 146.3 secs Computing kpt #: 326 total cpu time spent up to now is 146.7 secs Computing kpt #: 327 total cpu time spent up to now is 147.1 secs Computing kpt #: 328 total cpu time spent up to now is 147.5 secs Computing kpt #: 329 total cpu time spent up to now is 147.9 secs Computing kpt #: 330 total cpu time spent up to now is 148.3 secs Computing kpt #: 331 total cpu time spent up to now is 148.7 secs Computing kpt #: 332 total cpu time spent up to now is 149.1 secs Computing kpt #: 333 total cpu time spent up to now is 149.6 secs Computing kpt #: 334 total cpu time spent up to now is 150.1 secs Computing kpt #: 335 total cpu time spent up to now is 150.8 secs Computing kpt #: 336 total cpu time spent up to now is 151.4 secs Computing kpt #: 337 total cpu time spent up to now is 151.9 secs Computing kpt #: 338 total cpu time spent up to now is 152.3 secs Computing kpt #: 339 total cpu time spent up to now is 152.8 secs Computing kpt #: 340 total cpu time spent up to now is 153.2 secs Computing kpt #: 341 total cpu time spent up to now is 153.6 secs Computing kpt #: 342 total cpu time spent up to now is 153.9 secs Computing kpt #: 343 total cpu time spent up to now is 154.3 secs Computing kpt #: 344 total cpu time spent up to now is 154.7 secs Computing kpt #: 345 total cpu time spent up to now is 155.1 secs Computing kpt #: 346 total cpu time spent up to now is 155.5 secs Computing kpt #: 347 total cpu time spent up to now is 155.8 secs Computing kpt #: 348 total cpu time spent up to now is 156.2 secs Computing kpt #: 349 total cpu time spent up to now is 156.6 secs Computing kpt #: 350 total cpu time spent up to now is 157.0 secs Computing kpt #: 351 total cpu time spent up to now is 157.4 secs Computing kpt #: 352 total cpu time spent up to now is 157.8 secs Computing kpt #: 353 total cpu time spent up to now is 158.2 secs Computing kpt #: 354 total cpu time spent up to now is 158.5 secs Computing kpt #: 355 total cpu time spent up to now is 158.9 secs Computing kpt #: 356 total cpu time spent up to now is 159.3 secs Computing kpt #: 357 total cpu time spent up to now is 159.6 secs Computing kpt #: 358 total cpu time spent up to now is 159.9 secs Computing kpt #: 359 total cpu time spent up to now is 160.3 secs Computing kpt #: 360 total cpu time spent up to now is 160.6 secs Computing kpt #: 361 total cpu time spent up to now is 160.9 secs Computing kpt #: 362 total cpu time spent up to now is 161.2 secs Computing kpt #: 363 total cpu time spent up to now is 161.5 secs Computing kpt #: 364 total cpu time spent up to now is 161.8 secs Computing kpt #: 365 total cpu time spent up to now is 162.2 secs Computing kpt #: 366 total cpu time spent up to now is 162.5 secs Computing kpt #: 367 total cpu time spent up to now is 162.8 secs Computing kpt #: 368 total cpu time spent up to now is 163.2 secs Computing kpt #: 369 total cpu time spent up to now is 163.7 secs Computing kpt #: 370 total cpu time spent up to now is 164.2 secs Computing kpt #: 371 total cpu time spent up to now is 164.6 secs Computing kpt #: 372 total cpu time spent up to now is 165.0 secs Computing kpt #: 373 total cpu time spent up to now is 165.3 secs Computing kpt #: 374 total cpu time spent up to now is 165.7 secs Computing kpt #: 375 total cpu time spent up to now is 166.0 secs Computing kpt #: 376 total cpu time spent up to now is 166.4 secs Computing kpt #: 377 total cpu time spent up to now is 166.8 secs Computing kpt #: 378 total cpu time spent up to now is 167.1 secs Computing kpt #: 379 total cpu time spent up to now is 167.4 secs Computing kpt #: 380 total cpu time spent up to now is 167.8 secs Computing kpt #: 381 total cpu time spent up to now is 168.1 secs Computing kpt #: 382 total cpu time spent up to now is 168.5 secs Computing kpt #: 383 total cpu time spent up to now is 168.8 secs Computing kpt #: 384 total cpu time spent up to now is 169.2 secs Computing kpt #: 385 total cpu time spent up to now is 169.5 secs Computing kpt #: 386 total cpu time spent up to now is 169.9 secs Computing kpt #: 387 total cpu time spent up to now is 170.2 secs Computing kpt #: 388 total cpu time spent up to now is 170.5 secs Computing kpt #: 389 total cpu time spent up to now is 170.9 secs Computing kpt #: 390 total cpu time spent up to now is 171.2 secs Computing kpt #: 391 total cpu time spent up to now is 171.8 secs Computing kpt #: 392 total cpu time spent up to now is 172.3 secs Computing kpt #: 393 total cpu time spent up to now is 172.9 secs Computing kpt #: 394 total cpu time spent up to now is 173.5 secs Computing kpt #: 395 total cpu time spent up to now is 174.1 secs Computing kpt #: 396 total cpu time spent up to now is 174.6 secs Computing kpt #: 397 total cpu time spent up to now is 175.0 secs Computing kpt #: 398 total cpu time spent up to now is 175.4 secs Computing kpt #: 399 total cpu time spent up to now is 175.8 secs Computing kpt #: 400 total cpu time spent up to now is 176.2 secs Computing kpt #: 401 total cpu time spent up to now is 176.6 secs Computing kpt #: 402 total cpu time spent up to now is 177.0 secs Computing kpt #: 403 total cpu time spent up to now is 177.4 secs Computing kpt #: 404 total cpu time spent up to now is 177.8 secs Computing kpt #: 405 total cpu time spent up to now is 178.1 secs Computing kpt #: 406 total cpu time spent up to now is 178.5 secs Computing kpt #: 407 total cpu time spent up to now is 178.9 secs Computing kpt #: 408 total cpu time spent up to now is 179.3 secs Computing kpt #: 409 total cpu time spent up to now is 179.7 secs Computing kpt #: 410 total cpu time spent up to now is 180.0 secs Computing kpt #: 411 total cpu time spent up to now is 180.4 secs Computing kpt #: 412 total cpu time spent up to now is 180.8 secs ethr = 4.17E-08, avg # of iterations = 32.0 total cpu time spent up to now is 180.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4261 PWs) bands (ev): -3.1094 -3.1094 -1.4775 -1.4775 1.0517 1.0517 5.3997 5.3997 6.7821 6.7821 6.8272 6.8272 6.9390 6.9390 6.9526 6.9526 7.4874 7.4874 7.6210 7.6210 7.6402 7.6402 9.4647 9.4647 10.9252 10.9252 11.1213 11.1213 11.2186 11.2186 11.5877 11.5877 k = 0.0059 0.0234-0.0000 ( 4267 PWs) bands (ev): -3.1080 -3.1080 -1.4768 -1.4768 1.0533 1.0533 5.3874 5.3874 6.7820 6.7820 6.8245 6.8245 6.9189 6.9189 6.9849 6.9849 7.4607 7.4607 7.6366 7.6366 7.6461 7.6461 9.4671 9.4671 10.9271 10.9271 11.1116 11.1116 11.2150 11.2150 11.5828 11.5828 k = 0.0118 0.0467-0.0000 ( 4263 PWs) bands (ev): -3.1036 -3.1036 -1.4745 -1.4745 1.0580 1.0580 5.3511 5.3511 6.7817 6.7817 6.8178 6.8178 6.9062 6.9062 7.0325 7.0325 7.4053 7.4053 7.6316 7.6316 7.6914 7.6914 9.4740 9.4740 10.9326 10.9326 11.0807 11.0807 11.2077 11.2077 11.5675 11.5675 k = 0.0177 0.0701-0.0000 ( 4263 PWs) bands (ev): -3.0962 -3.0962 -1.4708 -1.4708 1.0659 1.0659 5.2929 5.2929 6.7809 6.7809 6.8104 6.8104 6.9039 6.9039 7.0868 7.0868 7.3406 7.3406 7.6218 7.6218 7.7414 7.7414 9.4853 9.4853 10.9414 10.9414 11.0279 11.0279 11.2016 11.2016 11.5408 11.5408 k = 0.0236 0.0934-0.0000 ( 4261 PWs) bands (ev): -3.0860 -3.0860 -1.4656 -1.4656 1.0770 1.0770 5.2155 5.2155 6.7794 6.7794 6.8052 6.8052 6.9088 6.9088 7.1448 7.1448 7.2725 7.2725 7.6082 7.6082 7.7907 7.7907 9.5005 9.5005 10.9441 10.9441 10.9664 10.9664 11.1975 11.1975 11.5021 11.5021 k = 0.0296 0.1168-0.0000 ( 4260 PWs) bands (ev): -3.0728 -3.0728 -1.4589 -1.4589 1.0911 1.0911 5.1217 5.1217 6.7764 6.7764 6.8031 6.8031 6.9186 6.9186 7.1916 7.1916 7.2165 7.2165 7.5911 7.5911 7.8380 7.8380 9.5189 9.5189 10.8687 10.8687 10.9735 10.9735 11.1947 11.1947 11.4519 11.4519 k = 0.0355 0.1402-0.0000 ( 4276 PWs) bands (ev): -3.0568 -3.0568 -1.4508 -1.4508 1.1084 1.1084 5.0146 5.0146 6.7687 6.7687 6.8049 6.8049 6.9323 6.9323 7.1338 7.1338 7.2677 7.2677 7.5706 7.5706 7.8830 7.8830 9.5399 9.5399 10.7757 10.7757 10.9926 10.9926 11.1922 11.1922 11.3917 11.3917 k = 0.0414 0.1635-0.0000 ( 4276 PWs) bands (ev): -3.0378 -3.0378 -1.4412 -1.4412 1.1287 1.1287 4.8966 4.8966 6.7504 6.7504 6.8116 6.8116 6.9492 6.9492 7.0752 7.0752 7.3256 7.3256 7.5471 7.5471 7.9256 7.9256 9.5624 9.5624 10.6768 10.6768 11.0151 11.0151 11.1890 11.1890 11.3241 11.3241 k = 0.0473 0.1869-0.0000 ( 4278 PWs) bands (ev): -3.0160 -3.0160 -1.4302 -1.4302 1.1521 1.1521 4.7698 4.7698 6.7156 6.7156 6.8230 6.8230 6.9693 6.9693 7.0301 7.0301 7.3806 7.3806 7.5212 7.5212 7.9658 7.9658 9.5858 9.5858 10.5744 10.5744 11.0404 11.0404 11.1820 11.1820 11.2545 11.2545 k = 0.0532 0.2102-0.0000 ( 4276 PWs) bands (ev): -2.9913 -2.9913 -1.4178 -1.4178 1.1784 1.1784 4.6362 4.6362 6.6612 6.6612 6.8384 6.8384 6.9917 6.9917 7.0028 7.0028 7.4302 7.4302 7.4946 7.4946 8.0038 8.0038 9.6088 9.6088 10.4702 10.4702 11.0673 11.0673 11.1495 11.1495 11.2072 11.2072 k = 0.0591 0.2336-0.0000 ( 4278 PWs) bands (ev): -2.9639 -2.9639 -1.4041 -1.4041 1.2077 1.2077 4.4972 4.4972 6.5896 6.5896 6.8573 6.8573 6.9892 6.9892 7.0186 7.0186 7.4504 7.4504 7.4905 7.4905 8.0396 8.0396 9.6306 9.6306 10.3654 10.3654 11.0713 11.0713 11.1043 11.1043 11.1963 11.1963 k = 0.0650 0.2570-0.0000 ( 4278 PWs) bands (ev): -2.9336 -2.9336 -1.3890 -1.3890 1.2398 1.2398 4.3540 4.3540 6.5057 6.5057 6.8791 6.8791 6.9876 6.9876 7.0470 7.0470 7.4229 7.4229 7.5271 7.5271 8.0733 8.0733 9.6503 9.6503 10.2608 10.2608 10.9983 10.9983 11.1300 11.1300 11.1938 11.1938 k = 0.0709 0.2803-0.0000 ( 4286 PWs) bands (ev): -2.9005 -2.9005 -1.3726 -1.3726 1.2747 1.2747 4.2076 4.2076 6.4138 6.4138 6.9035 6.9035 6.9925 6.9925 7.0782 7.0782 7.3892 7.3892 7.5627 7.5627 8.1051 8.1051 9.6671 9.6671 10.1572 10.1572 10.9230 10.9230 11.1547 11.1547 11.1985 11.1985 k = 0.0768 0.3037-0.0000 ( 4286 PWs) bands (ev): -2.8648 -2.8648 -1.3550 -1.3550 1.3122 1.3122 4.0588 4.0588 6.3165 6.3165 6.9302 6.9302 7.0016 7.0016 7.1118 7.1118 7.3540 7.3540 7.5926 7.5926 8.1350 8.1350 9.6803 9.6803 10.0549 10.0549 10.8520 10.8520 11.1643 11.1643 11.2198 11.2198 k = 0.0828 0.3271-0.0000 ( 4284 PWs) bands (ev): -2.8263 -2.8263 -1.3361 -1.3361 1.3523 1.3523 3.9085 3.9085 6.2157 6.2157 6.9588 6.9588 7.0132 7.0132 7.1473 7.1473 7.3185 7.3185 7.6160 7.6160 8.1632 8.1632 9.6897 9.6897 9.9545 9.9545 10.7875 10.7875 11.1625 11.1625 11.2526 11.2526 k = 0.0887 0.3504-0.0000 ( 4278 PWs) bands (ev): -2.7853 -2.7853 -1.3160 -1.3160 1.3948 1.3948 3.7573 3.7573 6.1125 6.1125 6.9889 6.9889 7.0262 7.0262 7.1829 7.1829 7.2850 7.2850 7.6321 7.6321 8.1898 8.1898 9.6952 9.6952 9.8563 9.8563 10.7311 10.7311 11.1564 11.1564 11.2886 11.2886 k = 0.0946 0.3738-0.0000 ( 4288 PWs) bands (ev): -2.7416 -2.7416 -1.2948 -1.2948 1.4394 1.4394 3.6058 3.6058 6.0076 6.0076 7.0197 7.0197 7.0399 7.0399 7.2066 7.2066 7.2662 7.2662 7.6405 7.6405 8.2149 8.2149 9.6963 9.6963 9.7618 9.7618 10.6838 10.6838 11.1480 11.1480 11.3231 11.3231 k = 0.1005 0.3971-0.0000 ( 4284 PWs) bands (ev): -2.6955 -2.6955 -1.2725 -1.2725 1.4860 1.4860 3.4546 3.4546 5.9018 5.9018 7.0460 7.0460 7.0576 7.0576 7.1913 7.1913 7.2900 7.2900 7.6408 7.6408 8.2389 8.2389 9.6603 9.6603 9.7047 9.7047 10.6460 10.6460 11.1373 11.1373 11.3430 11.3430 k = 0.1064 0.4205-0.0000 ( 4276 PWs) bands (ev): -2.6468 -2.6468 -1.2490 -1.2490 1.5342 1.5342 3.3044 3.3044 5.7956 5.7956 7.0571 7.0571 7.0870 7.0870 7.1630 7.1630 7.3330 7.3330 7.6329 7.6329 8.2618 8.2618 9.5722 9.5722 9.7020 9.7020 10.6177 10.6177 11.1244 11.1244 11.3384 11.3384 k = 0.1123 0.4439-0.0000 ( 4280 PWs) bands (ev): -2.5959 -2.5959 -1.2246 -1.2246 1.5834 1.5834 3.1558 3.1558 5.6895 5.6895 7.0567 7.0567 7.1165 7.1165 7.1418 7.1418 7.3812 7.3812 7.6173 7.6173 8.2840 8.2840 9.4841 9.4841 9.7033 9.7033 10.5981 10.5981 11.1091 11.1091 11.3294 11.3294 k = 0.1182 0.4672-0.0000 ( 4284 PWs) bands (ev): -2.5427 -2.5427 -1.1991 -1.1991 1.6330 1.6330 3.0098 3.0098 5.5837 5.5837 7.0402 7.0402 7.1269 7.1269 7.1521 7.1521 7.4324 7.4324 7.5953 7.5953 8.3060 8.3060 9.3986 9.3986 9.7080 9.7080 10.5866 10.5866 11.0912 11.0912 11.3232 11.3232 k = 0.1241 0.4906-0.0000 ( 4288 PWs) bands (ev): -2.4873 -2.4873 -1.1726 -1.1726 1.6815 1.6815 2.8679 2.8679 5.4788 5.4788 7.0115 7.0115 7.1295 7.1295 7.1763 7.1763 7.4846 7.4846 7.5706 7.5706 8.3280 8.3280 9.3158 9.3158 9.7176 9.7176 10.5822 10.5822 11.0702 11.0702 11.3207 11.3207 k = 0.1300 0.5139-0.0000 ( 4284 PWs) bands (ev): -2.4299 -2.4299 -1.1451 -1.1451 1.7271 1.7271 2.7320 2.7320 5.3751 5.3751 6.9780 6.9780 7.1340 7.1340 7.1937 7.1937 7.5212 7.5212 7.5639 7.5639 8.3505 8.3505 9.2360 9.2360 9.7332 9.7332 10.5840 10.5840 11.0461 11.0461 11.3217 11.3217 k = 0.1360 0.5373-0.0000 ( 4302 PWs) bands (ev): -2.3707 -2.3707 -1.1167 -1.1167 1.7660 1.7660 2.6060 2.6060 5.2729 5.2729 6.9431 6.9431 7.1371 7.1371 7.1974 7.1974 7.5122 7.5122 7.6119 7.6119 8.3738 8.3738 9.1592 9.1592 9.7555 9.7555 10.5912 10.5912 11.0185 11.0185 11.3252 11.3252 k = 0.1419 0.5607-0.0000 ( 4290 PWs) bands (ev): -2.3098 -2.3098 -1.0872 -1.0872 1.7918 1.7918 2.4963 2.4963 5.1725 5.1725 6.9082 6.9082 7.1352 7.1352 7.1835 7.1835 7.5067 7.5067 7.6724 7.6724 8.3985 8.3985 9.0854 9.0854 9.7850 9.7850 10.6033 10.6033 10.9871 10.9871 11.3298 11.3298 k = 0.1478 0.5840-0.0000 ( 4288 PWs) bands (ev): -2.2474 -2.2474 -1.0566 -1.0566 1.7941 1.7941 2.4133 2.4133 5.0743 5.0743 6.8737 6.8737 7.1159 7.1159 7.1620 7.1620 7.5161 7.5161 7.7364 7.7364 8.4249 8.4249 9.0148 9.0148 9.8216 9.8216 10.6198 10.6198 10.9519 10.9519 11.3334 11.3334 k = 0.1537 0.6074-0.0000 ( 4288 PWs) bands (ev): -2.1838 -2.1838 -1.0250 -1.0250 1.7619 1.7619 2.3681 2.3681 4.9784 4.9784 6.8401 6.8401 7.0654 7.0654 7.1508 7.1508 7.5379 7.5379 7.8030 7.8030 8.4532 8.4532 8.9473 8.9473 9.8651 9.8651 10.6403 10.6403 10.9126 10.9126 11.3331 11.3331 k = 0.1596 0.6307-0.0000 ( 4296 PWs) bands (ev): -2.1194 -2.1194 -0.9920 -0.9920 1.6927 1.6927 2.3629 2.3629 4.8854 4.8854 6.8072 6.8072 6.9965 6.9965 7.1427 7.1427 7.5678 7.5678 7.8719 7.8719 8.4836 8.4836 8.8830 8.8830 9.9151 9.9151 10.6646 10.6646 10.8693 10.8693 11.3256 11.3256 k = 0.1655 0.6541-0.0000 ( 4286 PWs) bands (ev): -2.0543 -2.0543 -0.9576 -0.9576 1.5959 1.5959 2.3884 2.3884 4.7953 4.7953 6.7748 6.7748 6.9186 6.9186 7.1330 7.1330 7.6026 7.6026 7.9430 7.9430 8.5161 8.5161 8.8219 8.8219 9.9711 9.9711 10.6927 10.6927 10.8218 10.8218 11.3077 11.3077 k = 0.1714 0.6775-0.0000 ( 4282 PWs) bands (ev): -1.9892 -1.9892 -0.9216 -0.9216 1.4827 1.4827 2.4332 2.4332 4.7086 4.7086 6.7411 6.7411 6.8374 6.8374 7.1208 7.1208 7.6405 7.6405 8.0160 8.0160 8.5505 8.5505 8.7641 8.7641 10.0323 10.0323 10.7241 10.7241 10.7706 10.7706 11.2778 11.2778 k = 0.1773 0.7008-0.0000 ( 4288 PWs) bands (ev): -1.9244 -1.9244 -0.8835 -0.8835 1.3608 1.3608 2.4895 2.4895 4.6254 4.6254 6.6976 6.6976 6.7641 6.7641 7.1058 7.1058 7.6802 7.6802 8.0910 8.0910 8.5863 8.5863 8.7102 8.7102 10.0981 10.0981 10.7137 10.7137 10.7609 10.7609 11.2363 11.2363 k = 0.1832 0.7242-0.0000 ( 4278 PWs) bands (ev): -1.8606 -1.8606 -0.8432 -0.8432 1.2344 1.2344 2.5527 2.5527 4.5460 4.5460 6.6278 6.6278 6.7168 6.7168 7.0882 7.0882 7.7211 7.7211 8.1676 8.1676 8.6185 8.6185 8.6648 8.6648 10.1676 10.1676 10.6548 10.6548 10.7997 10.7997 11.1859 11.1859 k = 0.1892 0.7475-0.0000 ( 4278 PWs) bands (ev): -1.7984 -1.7984 -0.8000 -0.8000 1.1061 1.1061 2.6200 2.6200 4.4708 4.4708 6.5418 6.5418 6.6869 6.6869 7.0682 7.0682 7.7628 7.7628 8.2459 8.2459 8.6011 8.6011 8.6734 8.6734 10.2400 10.2400 10.5921 10.5921 10.8423 10.8423 11.1304 11.1304 k = 0.1951 0.7709-0.0000 ( 4274 PWs) bands (ev): -1.7386 -1.7386 -0.7535 -0.7535 0.9772 0.9772 2.6899 2.6899 4.3998 4.3998 6.4523 6.4523 6.6631 6.6631 7.0459 7.0459 7.8051 7.8051 8.3255 8.3255 8.5581 8.5581 8.7115 8.7115 10.3140 10.3140 10.5263 10.5263 10.8872 10.8872 11.0742 11.0742 k = 0.2010 0.7943-0.0000 ( 4270 PWs) bands (ev): -1.6819 -1.6819 -0.7031 -0.7031 0.8487 0.8487 2.7609 2.7609 4.3334 4.3334 6.3629 6.3629 6.6426 6.6426 7.0217 7.0217 7.8479 7.8479 8.4061 8.4061 8.5163 8.5163 8.7520 8.7520 10.3881 10.3881 10.4581 10.4581 10.9264 10.9264 11.0286 11.0286 k = 0.2069 0.8176-0.0000 ( 4282 PWs) bands (ev): -1.6290 -1.6290 -0.6482 -0.6482 0.7210 0.7210 2.8322 2.8322 4.2718 4.2718 6.2755 6.2755 6.6248 6.6248 6.9958 6.9958 7.8910 7.8910 8.4702 8.4702 8.4944 8.4944 8.7925 8.7925 10.3859 10.3859 10.4632 10.4632 10.9207 10.9207 11.0352 11.0352 k = 0.2128 0.8410-0.0000 ( 4282 PWs) bands (ev): -1.5807 -1.5807 -0.5883 -0.5883 0.5945 0.5945 2.9028 2.9028 4.2151 4.2151 6.1912 6.1912 6.6094 6.6094 6.9685 6.9685 7.9345 7.9345 8.4374 8.4374 8.5729 8.5729 8.8318 8.8318 10.3136 10.3136 10.5341 10.5341 10.8769 10.8769 11.0898 11.0898 k = 0.2187 0.8644-0.0000 ( 4282 PWs) bands (ev): -1.5377 -1.5377 -0.5229 -0.5229 0.4696 0.4696 2.9717 2.9717 4.1636 4.1636 6.1111 6.1111 6.5963 6.5963 6.9401 6.9401 7.9783 7.9783 8.4029 8.4029 8.6562 8.6562 8.8690 8.8690 10.2397 10.2397 10.6014 10.6014 10.8301 10.8301 11.1594 11.1594 k = 0.2246 0.8877-0.0000 ( 4278 PWs) bands (ev): -1.5003 -1.5003 -0.4518 -0.4518 0.3464 0.3464 3.0382 3.0382 4.1173 4.1173 6.0363 6.0363 6.5856 6.5856 6.9109 6.9109 8.0225 8.0225 8.3708 8.3708 8.7400 8.7400 8.9031 8.9031 10.1650 10.1650 10.6633 10.6633 10.7879 10.7879 11.2380 11.2380 k = 0.2305 0.9111-0.0000 ( 4282 PWs) bands (ev): -1.4688 -1.4688 -0.3748 -0.3748 0.2250 0.2250 3.1011 3.1011 4.0765 4.0765 5.9678 5.9678 6.5772 6.5772 6.8811 6.8811 8.0670 8.0670 8.3409 8.3409 8.8236 8.8236 8.9330 8.9330 10.0901 10.0901 10.7179 10.7179 10.7533 10.7533 11.3245 11.3245 k = 0.2365 0.9344-0.0000 ( 4278 PWs) bands (ev): -1.4434 -1.4434 -0.2918 -0.2918 0.1056 0.1056 3.1596 3.1596 4.0412 4.0412 5.9068 5.9068 6.5710 6.5710 6.8509 6.8509 8.1120 8.1120 8.3133 8.3133 8.9057 8.9057 8.9589 8.9589 10.0156 10.0156 10.7255 10.7255 10.7668 10.7668 11.4180 11.4180 k = 0.2424 0.9578-0.0000 ( 4278 PWs) bands (ev): -1.4239 -1.4239 -0.2032 -0.2032 -0.0118 -0.0118 3.2124 3.2124 4.0114 4.0114 5.8544 5.8544 6.5671 6.5671 6.8206 6.8206 8.1572 8.1572 8.2880 8.2880 8.9664 8.9664 8.9994 8.9994 9.9420 9.9420 10.7093 10.7093 10.8051 10.8051 11.5176 11.5176 k = 0.2483 0.9812-0.0000 ( 4278 PWs) bands (ev): -1.4103 -1.4103 -0.1273 -0.1273 -0.1087 -0.1087 3.2586 3.2586 3.9872 3.9872 5.8116 5.8116 6.5654 6.5654 6.7904 6.7904 8.2010 8.2010 8.2663 8.2663 8.9817 8.9817 9.0771 9.0771 9.8700 9.8700 10.7036 10.7036 10.8343 10.8343 11.6219 11.6219 k = 0.2542 1.0045-0.0000 ( 4278 PWs) bands (ev): -1.4021 -1.4021 -0.2400 -0.2400 -0.0096 -0.0096 3.2972 3.2972 3.9686 3.9686 5.7795 5.7795 6.5658 6.5658 6.7605 6.7605 8.2259 8.2259 8.2657 8.2657 8.9856 8.9856 9.1573 9.1573 9.8001 9.8001 10.7090 10.7090 10.8535 10.8535 11.7283 11.7283 k = 0.2601 1.0279-0.0000 ( 4274 PWs) bands (ev): -1.3992 -1.3992 -0.3508 -0.3508 0.0945 0.0945 3.3272 3.3272 3.9554 3.9554 5.7590 5.7590 6.5681 6.5681 6.7314 6.7314 8.2115 8.2115 8.3063 8.3063 8.9812 8.9812 9.2361 9.2361 9.7331 9.7331 10.7256 10.7256 10.8624 10.8624 11.8256 11.8256 k = 0.2660 1.0512-0.0000 ( 4276 PWs) bands (ev): -1.4011 -1.4011 -0.4592 -0.4592 0.2032 0.2032 3.3480 3.3480 3.9478 3.9478 5.7507 5.7507 6.5722 6.5722 6.7034 6.7034 8.1911 8.1911 8.3544 8.3544 8.9694 8.9694 9.3126 9.3126 9.6694 9.6694 10.7529 10.7529 10.8609 10.8609 11.8008 11.8008 k = 0.2660 1.0512-0.0000 ( 4276 PWs) bands (ev): -1.4011 -1.4011 -0.4592 -0.4592 0.2032 0.2032 3.3480 3.3480 3.9478 3.9478 5.7507 5.7507 6.5722 6.5722 6.7034 6.7034 8.1911 8.1911 8.3544 8.3544 8.9694 8.9694 9.3126 9.3126 9.6694 9.6694 10.7529 10.7529 10.8609 10.8609 11.8008 11.8008 k = 0.2418 1.0512-0.0000 ( 4279 PWs) bands (ev): -1.4005 -1.4005 -0.4322 -0.4322 0.1760 0.1760 3.3390 3.3390 3.9561 3.9561 5.7433 5.7433 6.5716 6.5716 6.7188 6.7188 8.1960 8.1960 8.3384 8.3384 8.9745 8.9745 9.2969 9.2969 9.6806 9.6806 10.7396 10.7396 10.8627 10.8627 11.8141 11.8141 k = 0.2176 1.0512-0.0000 ( 4282 PWs) bands (ev): -1.4005 -1.4005 -0.4043 -0.4043 0.1491 0.1491 3.3216 3.3216 3.9773 3.9773 5.7208 5.7208 6.5716 6.5716 6.7510 6.7510 8.2000 8.2000 8.3152 8.3152 8.9820 8.9820 9.2871 9.2871 9.6838 9.6838 10.7167 10.7167 10.8641 10.8641 11.8241 11.8241 k = 0.1935 1.0512-0.0000 ( 4282 PWs) bands (ev): -1.4009 -1.4009 -0.3758 -0.3758 0.1225 0.1225 3.2984 3.2984 4.0084 4.0084 5.6862 5.6862 6.5716 6.5716 6.7973 6.7973 8.2024 8.2024 8.2864 8.2864 8.9912 8.9912 9.2831 9.2831 9.6794 9.6794 10.6866 10.6866 10.8648 10.8648 11.8320 11.8320 k = 0.1693 1.0512-0.0000 ( 4284 PWs) bands (ev): -1.4018 -1.4018 -0.3471 -0.3471 0.0962 0.0962 3.2725 3.2725 4.0461 4.0461 5.6432 5.6432 6.5714 6.5714 6.8537 6.8537 8.2012 8.2012 8.2552 8.2552 9.0015 9.0015 9.2848 9.2848 9.6680 9.6680 10.6517 10.6517 10.8652 10.8652 11.8401 11.8402 k = 0.1451 1.0512-0.0000 ( 4286 PWs) bands (ev): -1.4027 -1.4027 -0.3184 -0.3184 0.0703 0.0703 3.2462 3.2462 4.0873 4.0873 5.5956 5.5956 6.5711 6.5711 6.9162 6.9162 8.1881 8.1881 8.2314 8.2314 9.0121 9.0121 9.2919 9.2919 9.6506 9.6506 10.6148 10.6148 10.8655 10.8655 11.8499 11.8499 k = 0.1209 1.0512-0.0000 ( 4281 PWs) bands (ev): -1.4038 -1.4038 -0.2904 -0.2904 0.0451 0.0451 3.2215 3.2215 4.1292 4.1292 5.5472 5.5472 6.5707 6.5707 6.9804 6.9804 8.1564 8.1564 8.2236 8.2236 9.0222 9.0222 9.3039 9.3039 9.6286 9.6286 10.5787 10.5787 10.8657 10.8657 11.8617 11.8617 k = 0.0967 1.0512-0.0000 ( 4282 PWs) bands (ev): -1.4048 -1.4048 -0.2634 -0.2634 0.0208 0.0208 3.1997 3.1997 4.1689 4.1689 5.5014 5.5014 6.5704 6.5704 7.0425 7.0425 8.1182 8.1182 8.2219 8.2219 9.0313 9.0313 9.3197 9.3197 9.6036 9.6036 10.5458 10.5458 10.8660 10.8660 11.8750 11.8750 k = 0.0725 1.0512-0.0000 ( 4279 PWs) bands (ev): -1.4056 -1.4056 -0.2385 -0.2385 -0.0017 -0.0017 3.1819 3.1819 4.2039 4.2039 5.4612 5.4612 6.5700 6.5700 7.0981 7.0981 8.0813 8.0813 8.2214 8.2214 9.0389 9.0389 9.3381 9.3381 9.5773 9.5773 10.5181 10.5181 10.8663 10.8663 11.8891 11.8891 k = 0.0484 1.0512-0.0000 ( 4280 PWs) bands (ev): -1.4063 -1.4063 -0.2172 -0.2172 -0.0213 -0.0213 3.1687 3.1687 4.2313 4.2313 5.4298 5.4298 6.5698 6.5698 7.1428 7.1428 8.0503 8.0503 8.2213 8.2213 9.0446 9.0446 9.3569 9.3569 9.5526 9.5526 10.4972 10.4972 10.8666 10.8666 11.9033 11.9033 k = 0.0242 1.0512-0.0000 ( 4284 PWs) bands (ev): -1.4067 -1.4067 -0.2020 -0.2020 -0.0354 -0.0354 3.1607 3.1607 4.2489 4.2489 5.4098 5.4098 6.5697 6.5697 7.1721 7.1721 8.0295 8.0295 8.2212 8.2212 9.0481 9.0481 9.3723 9.3723 9.5335 9.5335 10.4842 10.4842 10.8668 10.8668 11.9163 11.9163 k = 0.0000 1.0512-0.0000 ( 4288 PWs) bands (ev): -1.4069 -1.4069 -0.1963 -0.1963 -0.0407 -0.0407 3.1579 3.1579 4.2550 4.2550 5.4028 5.4028 6.5696 6.5696 7.1823 7.1823 8.0221 8.0221 8.2212 8.2212 9.0493 9.0493 9.3786 9.3786 9.5259 9.5259 10.4798 10.4798 10.8669 10.8669 11.9234 11.9236 k = 0.0000 1.0512-0.0000 ( 4288 PWs) bands (ev): -1.4069 -1.4069 -0.1963 -0.1963 -0.0407 -0.0407 3.1579 3.1579 4.2550 4.2550 5.4028 5.4028 6.5696 6.5696 7.1823 7.1823 8.0221 8.0221 8.2212 8.2212 9.0493 9.0493 9.3786 9.3786 9.5259 9.5259 10.4798 10.4798 10.8669 10.8669 11.9234 11.9234 k = 0.0000 1.0512 0.0244 ( 4284 PWs) bands (ev): -1.4058 -1.4058 -0.1950 -0.1950 -0.0394 -0.0394 3.1565 3.1565 4.2554 4.2554 5.4044 5.4044 6.5677 6.5677 7.1809 7.1809 8.0210 8.0210 8.2135 8.2135 9.0261 9.0261 9.3698 9.3698 9.5445 9.5445 10.4839 10.4839 10.8696 10.8696 11.9239 11.9261 k = 0.0000 1.0512 0.0489 ( 4280 PWs) bands (ev): -1.4024 -1.4024 -0.1912 -0.1912 -0.0354 -0.0354 3.1523 3.1523 4.2568 4.2568 5.4089 5.4089 6.5619 6.5619 7.1765 7.1765 8.0176 8.0176 8.1908 8.1908 8.9640 8.9640 9.3455 9.3455 9.5906 9.5906 10.4959 10.4959 10.8776 10.8776 11.9258 11.9260 k = 0.0000 1.0512 0.0733 ( 4286 PWs) bands (ev): -1.3969 -1.3969 -0.1847 -0.1847 -0.0288 -0.0288 3.1451 3.1451 4.2592 4.2592 5.4165 5.4165 6.5525 6.5525 7.1692 7.1692 8.0117 8.0117 8.1541 8.1541 8.8768 8.8768 9.3082 9.3082 9.6499 9.6499 10.5150 10.5150 10.8906 10.8906 11.9304 11.9304 k = 0.0000 1.0512 0.0978 ( 4290 PWs) bands (ev): -1.3892 -1.3892 -0.1757 -0.1757 -0.0197 -0.0197 3.1347 3.1347 4.2629 4.2629 5.4270 5.4270 6.5397 6.5397 7.1589 7.1589 8.0022 8.0022 8.1052 8.1052 8.7741 8.7741 9.2591 9.2591 9.7136 9.7136 10.5400 10.5400 10.9085 10.9085 11.9382 11.9382 k = 0.0000 1.0512 0.1222 ( 4288 PWs) bands (ev): -1.3793 -1.3793 -0.1641 -0.1641 -0.0079 -0.0079 3.1210 3.1210 4.2680 4.2680 5.4403 5.4403 6.5237 6.5237 7.1453 7.1453 7.9859 7.9859 8.0485 8.0485 8.6616 8.6616 9.1998 9.1998 9.7777 9.7777 10.5695 10.5695 10.9308 10.9308 11.9466 11.9466 k = 0.0000 1.0512 0.1467 ( 4288 PWs) bands (ev): -1.3672 -1.3672 -0.1500 -0.1500 0.0065 0.0065 3.1037 3.1037 4.2748 4.2748 5.4562 5.4562 6.5051 6.5051 7.1283 7.1283 7.9476 7.9476 8.0002 8.0002 8.5431 8.5431 9.1319 9.1319 9.8403 9.8403 10.6022 10.6022 10.9570 10.9570 11.9533 11.9533 k = 0.0000 1.0512 0.1711 ( 4290 PWs) bands (ev): -1.3529 -1.3529 -0.1333 -0.1333 0.0235 0.0235 3.0826 3.0826 4.2838 4.2838 5.4746 5.4746 6.4841 6.4841 7.1075 7.1075 7.8775 7.8775 7.9699 7.9699 8.4222 8.4222 9.0572 9.0572 9.9007 9.9007 10.6367 10.6367 10.9867 10.9867 11.9597 11.9597 k = 0.0000 1.0512 0.1956 ( 4282 PWs) bands (ev): -1.3363 -1.3363 -0.1141 -0.1141 0.0430 0.0430 3.0573 3.0573 4.2951 4.2951 5.4952 5.4952 6.4612 6.4612 7.0825 7.0825 7.7945 7.7945 7.9371 7.9371 8.3043 8.3043 8.9773 8.9773 9.9588 9.9588 10.6720 10.6720 11.0192 11.0192 11.9667 11.9667 k = 0.0000 1.0512 0.2200 ( 4282 PWs) bands (ev): -1.3177 -1.3177 -0.0925 -0.0925 0.0651 0.0651 3.0277 3.0277 4.3090 4.3090 5.5177 5.5177 6.4369 6.4369 7.0527 7.0527 7.7061 7.7061 7.8889 7.8889 8.1976 8.1976 8.8936 8.8936 10.0148 10.0148 10.7075 10.7075 11.0540 11.0540 11.9748 11.9749 k = 0.0000 1.0512 0.2445 ( 4282 PWs) bands (ev): -1.2968 -1.2968 -0.0685 -0.0685 0.0896 0.0896 2.9936 2.9936 4.3259 4.3259 5.5415 5.5415 6.4114 6.4114 7.0173 7.0173 7.6156 7.6156 7.8143 7.8143 8.1133 8.1133 8.8075 8.8075 10.0688 10.0688 10.7427 10.7427 11.0907 11.0907 11.9843 11.9843 k = 0.0000 1.0512 0.2689 ( 4286 PWs) bands (ev): -1.2738 -1.2738 -0.0420 -0.0420 0.1167 0.1167 2.9548 2.9548 4.3458 4.3458 5.5662 5.5662 6.3852 6.3852 6.9756 6.9756 7.5257 7.5257 7.7104 7.7104 8.0548 8.0548 8.7199 8.7199 10.1214 10.1214 10.7773 10.7773 11.1288 11.1288 11.9953 11.9953 k = 0.0000 1.0512 0.2934 ( 4286 PWs) bands (ev): -1.2486 -1.2486 -0.0132 -0.0132 0.1462 0.1462 2.9115 2.9115 4.3689 4.3689 5.5911 5.5911 6.3586 6.3586 6.9267 6.9267 7.4386 7.4386 7.5863 7.5863 8.0141 8.0141 8.6317 8.6317 10.1729 10.1729 10.8114 10.8114 11.1678 11.1678 12.0077 12.0077 k = 0.0000 1.0512 0.3178 ( 4290 PWs) bands (ev): -1.2213 -1.2213 0.0180 0.0180 0.1780 0.1780 2.8635 2.8635 4.3953 4.3953 5.6149 5.6149 6.3316 6.3316 6.8703 6.8703 7.3557 7.3557 7.4521 7.4521 7.9825 7.9825 8.5438 8.5438 10.2238 10.2238 10.8453 10.8453 11.2075 11.2075 12.0215 12.0215 k = 0.0000 1.0512 0.3423 ( 4294 PWs) bands (ev): -1.1918 -1.1918 0.0514 0.0514 0.2123 0.2123 2.8112 2.8112 4.4250 4.4250 5.6366 5.6366 6.3045 6.3045 6.8070 6.8070 7.2721 7.2721 7.3199 7.3199 7.9553 7.9553 8.4566 8.4566 10.2743 10.2743 10.8791 10.8791 11.2476 11.2476 12.0366 12.0366 k = 0.0000 1.0512 0.3667 ( 4298 PWs) bands (ev): -1.1602 -1.1602 0.0869 0.0869 0.2488 0.2488 2.7545 2.7545 4.4578 4.4578 5.6541 5.6541 6.2771 6.2771 6.7389 6.7389 7.1539 7.1539 7.2271 7.2271 7.9300 7.9300 8.3707 8.3707 10.3250 10.3250 10.9133 10.9133 11.2879 11.2879 12.0527 12.0527 k = 0.0000 1.0512 0.3912 ( 4298 PWs) bands (ev): -1.1265 -1.1265 0.1246 0.1246 0.2876 0.2876 2.6938 2.6938 4.4936 4.4936 5.6650 5.6650 6.2492 6.2492 6.6696 6.6696 7.0142 7.0142 7.1623 7.1623 7.9057 7.9057 8.2864 8.2864 10.3760 10.3760 10.9483 10.9483 11.3282 11.3282 12.0698 12.0698 k = 0.0000 1.0512 0.4156 ( 4296 PWs) bands (ev): -1.0906 -1.0906 0.1643 0.1643 0.3286 0.3286 2.6294 2.6294 4.5322 4.5322 5.6662 5.6662 6.2199 6.2199 6.6037 6.6037 6.8739 6.8739 7.1055 7.1055 7.8818 7.8818 8.2042 8.2042 10.4276 10.4276 10.9843 10.9843 11.3686 11.3686 12.0877 12.0877 k = 0.0000 1.0512 0.4401 ( 4296 PWs) bands (ev): -1.0527 -1.0527 0.2060 0.2060 0.3717 0.3717 2.5615 2.5615 4.5734 4.5734 5.6541 5.6541 6.1878 6.1878 6.5463 6.5463 6.7377 6.7377 7.0534 7.0534 7.8581 7.8581 8.1242 8.1242 10.4801 10.4801 11.0219 11.0219 11.4089 11.4089 12.1062 12.1062 k = 0.0000 1.0512 0.4645 ( 4292 PWs) bands (ev): -1.0128 -1.0128 0.2494 0.2494 0.4168 0.4168 2.4905 2.4905 4.6168 4.6168 5.6257 5.6257 6.1502 6.1502 6.5015 6.5015 6.6101 6.6101 7.0042 7.0042 7.8345 7.8345 8.0467 8.0467 10.5336 10.5336 11.0613 11.0613 11.4492 11.4492 12.1251 12.1251 k = 0.0000 1.0512 0.4890 ( 4296 PWs) bands (ev): -0.9707 -0.9707 0.2945 0.2945 0.4638 0.4638 2.4168 2.4168 4.6620 4.6620 5.5794 5.5794 6.1021 6.1021 6.4670 6.4670 6.5019 6.5019 6.9572 6.9572 7.8109 7.8109 7.9720 7.9720 10.5883 10.5883 11.1028 11.1028 11.4896 11.4896 12.1444 12.1444 k = 0.0000 1.0512 0.5134 ( 4296 PWs) bands (ev): -0.9267 -0.9267 0.3412 0.3412 0.5126 0.5126 2.3407 2.3407 4.7085 4.7085 5.5158 5.5158 6.0371 6.0371 6.3964 6.3964 6.4665 6.4665 6.9117 6.9117 7.7874 7.7874 7.9003 7.9003 10.6441 10.6441 11.1466 11.1466 11.5301 11.5301 12.1639 12.1639 k = 0.0000 1.0512 0.5379 ( 4304 PWs) bands (ev): -0.8806 -0.8806 0.3892 0.3892 0.5631 0.5631 2.2626 2.2626 4.7555 4.7555 5.4378 5.4378 5.9519 5.9519 6.3301 6.3301 6.4658 6.4658 6.8674 6.8674 7.7634 7.7634 7.8324 7.8324 10.7012 10.7012 11.1930 11.1930 11.5709 11.5709 12.1836 12.1836 k = 0.0000 1.0512 0.5623 ( 4310 PWs) bands (ev): -0.8325 -0.8325 0.4383 0.4383 0.6151 0.6151 2.1829 2.1829 4.8019 4.8019 5.3487 5.3487 5.8507 5.8507 6.2849 6.2849 6.4762 6.4762 6.8242 6.8242 7.7366 7.7366 7.7710 7.7710 10.7595 10.7595 11.2422 11.2422 11.6121 11.6121 12.2034 12.2034 k = 0.0000 1.0512 0.5868 ( 4306 PWs) bands (ev): -0.7825 -0.7825 0.4882 0.4882 0.6685 0.6685 2.1020 2.1020 4.8461 4.8461 5.2521 5.2521 5.7423 5.7423 6.2549 6.2549 6.4932 6.4932 6.7826 6.7826 7.6938 7.6938 7.7296 7.7296 10.8190 10.8190 11.2941 11.2941 11.6539 11.6539 12.2232 12.2232 k = 0.0000 1.0512 0.6112 ( 4314 PWs) bands (ev): -0.7305 -0.7305 0.5387 0.5387 0.7230 0.7230 2.0204 2.0204 4.8853 4.8853 5.1506 5.1506 5.6351 5.6351 6.2348 6.2348 6.5126 6.5126 6.7435 6.7435 7.6389 7.6389 7.7045 7.7045 10.8796 10.8796 11.3490 11.3490 11.6964 11.6964 12.2430 12.2430 k = 0.0000 1.0512 0.6357 ( 4314 PWs) bands (ev): -0.6767 -0.6767 0.5892 0.5892 0.7785 0.7785 1.9386 1.9386 4.9145 4.9145 5.0466 5.0466 5.5374 5.5374 6.2214 6.2214 6.5296 6.5296 6.7091 6.7091 7.5855 7.5855 7.6828 7.6828 10.9411 10.9411 11.4067 11.4067 11.7398 11.7398 12.2626 12.2626 k = 0.0000 1.0512 0.6601 ( 4322 PWs) bands (ev): -0.6209 -0.6209 0.6392 0.6392 0.8346 0.8346 1.8570 1.8570 4.9246 4.9246 4.9429 4.9429 5.4591 5.4591 6.2129 6.2129 6.5377 6.5377 6.6841 6.6841 7.5359 7.5359 7.6623 7.6623 11.0035 11.0035 11.4672 11.4672 11.7844 11.7844 12.2821 12.2821 k = 0.0000 1.0512 0.6846 ( 4328 PWs) bands (ev): -0.5633 -0.5633 0.6879 0.6879 0.8911 0.8911 1.7766 1.7766 4.8372 4.8372 4.9093 4.9093 5.4114 5.4114 6.2085 6.2085 6.5295 6.5295 6.6738 6.6738 7.4913 7.4913 7.6429 7.6429 11.0663 11.0663 11.5303 11.5303 11.8303 11.8303 12.3012 12.3012 k = 0.0000 1.0512 0.7090 ( 4322 PWs) bands (ev): -0.5039 -0.5039 0.7344 0.7344 0.9476 0.9476 1.6981 1.6981 4.7349 4.7349 4.8604 4.8604 5.3989 5.3989 6.2074 6.2074 6.5054 6.5054 6.6764 6.6764 7.4522 7.4522 7.6244 7.6244 11.1295 11.1295 11.5955 11.5955 11.8779 11.8779 12.3201 12.3201 k = 0.0000 1.0512 0.7335 ( 4320 PWs) bands (ev): -0.4427 -0.4427 0.7772 0.7772 1.0038 1.0038 1.6230 1.6230 4.6353 4.6353 4.7871 4.7871 5.4145 5.4145 6.2094 6.2094 6.4722 6.4722 6.6836 6.6836 7.4194 7.4194 7.6067 7.6067 11.1928 11.1928 11.6623 11.6623 11.9272 11.9272 12.3385 12.3385 k = 0.0000 1.0512 0.7579 ( 4318 PWs) bands (ev): -0.3798 -0.3798 0.8142 0.8142 1.0591 1.0591 1.5530 1.5530 4.5396 4.5396 4.7005 4.7005 5.4476 5.4476 6.2144 6.2144 6.4348 6.4348 6.6894 6.6894 7.3934 7.3934 7.5898 7.5898 11.2558 11.2558 11.7298 11.7298 11.9786 11.9786 12.3564 12.3564 k = 0.0000 1.0512 0.7824 ( 4318 PWs) bands (ev): -0.3153 -0.3153 0.8425 0.8425 1.1130 1.1130 1.4909 1.4909 4.4485 4.4485 4.6088 4.6088 5.4903 5.4903 6.2221 6.2221 6.3957 6.3957 6.6904 6.6904 7.3747 7.3747 7.5737 7.5737 11.3183 11.3183 11.7964 11.7964 12.0323 12.0323 12.3736 12.3736 k = 0.0000 1.0512 0.8068 ( 4322 PWs) bands (ev): -0.2491 -0.2491 0.8583 0.8583 1.1650 1.1650 1.4400 1.4400 4.3630 4.3630 4.5168 4.5168 5.5382 5.5382 6.2324 6.2324 6.3560 6.3560 6.6854 6.6854 7.3630 7.3630 7.5583 7.5583 11.3799 11.3799 11.8598 11.8598 12.0884 12.0884 12.3892 12.3893 k = 0.0000 1.0512 0.8313 ( 4326 PWs) bands (ev): -0.1814 -0.1814 0.8576 0.8576 1.2143 1.2143 1.4039 1.4039 4.2840 4.2840 4.4277 4.4277 5.5886 5.5886 6.2445 6.2445 6.3168 6.3168 6.6740 6.6740 7.3580 7.3580 7.5435 7.5435 11.4403 11.4403 11.9166 11.9166 12.1469 12.1469 12.3924 12.3925 k = 0.0000 1.0512 0.8557 ( 4330 PWs) bands (ev): -0.1123 -0.1123 0.8381 0.8381 1.2603 1.2603 1.3844 1.3844 4.2125 4.2125 4.3434 4.3434 5.6401 5.6401 6.2525 6.2525 6.2844 6.2844 6.6566 6.6566 7.3587 7.3587 7.5293 7.5293 11.4993 11.4993 11.9616 11.9616 12.2077 12.2077 12.3889 12.3889 k = 0.0000 1.0512 0.8802 ( 4334 PWs) bands (ev): -0.0418 -0.0418 0.8008 0.8008 1.3023 1.3023 1.3799 1.3799 4.1494 4.1494 4.2655 4.2655 5.6915 5.6915 6.2274 6.2274 6.2877 6.2877 6.6341 6.6341 7.3639 7.3639 7.5155 7.5155 11.5566 11.5566 11.9896 11.9896 12.2704 12.2704 12.3956 12.3956 k = 0.0000 1.0512 0.9046 ( 4334 PWs) bands (ev): 0.0300 0.0300 0.7495 0.7495 1.3393 1.3393 1.3860 1.3860 4.0957 4.0957 4.1952 4.1952 5.7424 5.7424 6.1886 6.1886 6.3073 6.3073 6.6075 6.6075 7.3724 7.3724 7.5021 7.5021 11.6121 11.6121 11.9980 11.9980 12.3334 12.3334 12.4142 12.4142 k = 0.0000 1.0512 0.9291 ( 4334 PWs) bands (ev): 0.1029 0.1029 0.6883 0.6883 1.3707 1.3707 1.3977 1.3977 4.0523 4.0523 4.1339 4.1339 5.7923 5.7923 6.1481 6.1481 6.3309 6.3309 6.5780 6.5780 7.3833 7.3833 7.4888 7.4888 11.6656 11.6656 11.9888 11.9888 12.3922 12.3922 12.4409 12.4410 k = 0.0000 1.0512 0.9535 ( 4338 PWs) bands (ev): 0.1767 0.1767 0.6209 0.6209 1.3959 1.3959 1.4107 1.4107 4.0201 4.0201 4.0824 4.0824 5.8409 5.8409 6.1069 6.1069 6.3572 6.3572 6.5464 6.5464 7.3956 7.3956 7.4756 7.4756 11.7170 11.7170 11.9665 11.9665 12.4347 12.4347 12.4625 12.4626 k = 0.0000 1.0512 0.9780 ( 4342 PWs) bands (ev): 0.2512 0.2512 0.5496 0.5496 1.4144 1.4144 1.4219 1.4219 3.9996 3.9996 4.0418 4.0418 5.8882 5.8882 6.0650 6.0650 6.3857 6.3857 6.5138 6.5138 7.4087 7.4087 7.4624 7.4624 11.7662 11.7662 11.9354 11.9354 12.4581 12.4581 12.4729 12.4729 k = 0.0000 1.0512 1.0024 ( 4336 PWs) bands (ev): 0.3262 0.3262 0.4760 0.4760 1.4260 1.4260 1.4291 1.4291 3.9915 3.9915 4.0127 4.0127 5.9341 5.9341 6.0224 6.0224 6.4162 6.4162 6.4807 6.4807 7.4221 7.4221 7.4491 7.4491 11.8131 11.8131 11.8985 11.8985 12.4707 12.4707 12.4773 12.4773 k = 0.0000 1.0512 1.0269 ( 4332 PWs) bands (ev): 0.4014 0.4014 0.4014 0.4014 1.4308 1.4308 1.4308 1.4308 3.9958 3.9958 3.9958 3.9958 5.9788 5.9788 5.9788 5.9788 6.4480 6.4480 6.4480 6.4480 7.4356 7.4356 7.4356 7.4356 11.8574 11.8574 11.8574 11.8574 12.4767 12.4767 12.4767 12.4767 k = 0.0000 1.0512 1.0269 ( 4332 PWs) bands (ev): 0.4014 0.4014 0.4014 0.4014 1.4308 1.4308 1.4308 1.4308 3.9958 3.9958 3.9958 3.9958 5.9788 5.9788 5.9788 5.9788 6.4480 6.4480 6.4480 6.4480 7.4356 7.4356 7.4356 7.4356 11.8574 11.8574 11.8574 11.8574 12.4767 12.4767 12.4767 12.4767 k = 0.0242 1.0512 1.0269 ( 4334 PWs) bands (ev): 0.4012 0.4012 0.4015 0.4015 1.4305 1.4305 1.4308 1.4308 3.9943 3.9943 3.9969 3.9969 5.9773 5.9773 5.9826 5.9826 6.4470 6.4470 6.4483 6.4483 7.4357 7.4357 7.4358 7.4358 11.8557 11.8557 11.8579 11.8579 12.4759 12.4759 12.4763 12.4763 k = 0.0484 1.0512 1.0269 ( 4340 PWs) bands (ev): 0.4009 0.4009 0.4016 0.4016 1.4299 1.4299 1.4304 1.4304 3.9923 3.9923 3.9974 3.9974 5.9781 5.9781 5.9887 5.9887 6.4453 6.4453 6.4480 6.4480 7.4361 7.4361 7.4362 7.4362 11.8530 11.8530 11.8573 11.8573 12.4740 12.4740 12.4747 12.4747 k = 0.0725 1.0512 1.0269 ( 4338 PWs) bands (ev): 0.4007 0.4007 0.4017 0.4017 1.4289 1.4289 1.4297 1.4297 3.9900 3.9900 3.9975 3.9975 5.9812 5.9812 5.9968 5.9968 6.4431 6.4431 6.4471 6.4471 7.4366 7.4366 7.4367 7.4367 11.8492 11.8492 11.8556 11.8556 12.4711 12.4711 12.4720 12.4720 k = 0.0967 1.0512 1.0269 ( 4332 PWs) bands (ev): 0.4004 0.4004 0.4018 0.4018 1.4276 1.4276 1.4286 1.4286 3.9875 3.9875 3.9972 3.9972 5.9862 5.9862 6.0067 6.0067 6.4404 6.4404 6.4458 6.4458 7.4372 7.4372 7.4374 7.4374 11.8446 11.8446 11.8531 11.8531 12.4672 12.4672 12.4681 12.4681 k = 0.1209 1.0512 1.0269 ( 4332 PWs) bands (ev): 0.4001 0.4001 0.4018 0.4018 1.4259 1.4259 1.4272 1.4272 3.9851 3.9851 3.9967 3.9967 5.9930 5.9930 6.0180 6.0180 6.4374 6.4374 6.4441 6.4441 7.4379 7.4379 7.4380 7.4380 11.8393 11.8393 11.8498 11.8498 12.4625 12.4625 12.4632 12.4632 k = 0.1451 1.0512 1.0269 ( 4330 PWs) bands (ev): 0.3997 0.3997 0.4017 0.4017 1.4238 1.4238 1.4254 1.4254 3.9829 3.9829 3.9961 3.9961 6.0011 6.0011 6.0302 6.0302 6.4342 6.4342 6.4422 6.4422 7.4385 7.4385 7.4385 7.4385 11.8337 11.8337 11.8461 11.8461 12.4572 12.4572 12.4573 12.4573 k = 0.1693 1.0512 1.0269 ( 4336 PWs) bands (ev): 0.3993 0.3993 0.4016 0.4016 1.4213 1.4213 1.4232 1.4232 3.9812 3.9812 3.9958 3.9958 6.0101 6.0101 6.0430 6.0430 6.4312 6.4312 6.4405 6.4405 7.4387 7.4387 7.4388 7.4388 11.8281 11.8281 11.8422 11.8422 12.4504 12.4504 12.4513 12.4513 k = 0.1935 1.0512 1.0269 ( 4334 PWs) bands (ev): 0.3989 0.3989 0.4013 0.4013 1.4184 1.4184 1.4206 1.4206 3.9802 3.9802 3.9958 3.9958 6.0196 6.0196 6.0556 6.0556 6.4286 6.4286 6.4390 6.4390 7.4385 7.4385 7.4389 7.4389 11.8227 11.8227 11.8384 11.8384 12.4426 12.4426 12.4450 12.4450 k = 0.2176 1.0512 1.0269 ( 4336 PWs) bands (ev): 0.3984 0.3984 0.4010 0.4010 1.4152 1.4152 1.4176 1.4176 3.9802 3.9802 3.9965 3.9965 6.0290 6.0290 6.0674 6.0674 6.4268 6.4268 6.4380 6.4380 7.4379 7.4379 7.4385 7.4385 11.8180 11.8180 11.8351 11.8351 12.4339 12.4339 12.4384 12.4384 k = 0.2418 1.0512 1.0269 ( 4334 PWs) bands (ev): 0.3978 0.3978 0.4006 0.4006 1.4114 1.4114 1.4142 1.4142 3.9815 3.9815 3.9980 3.9980 6.0377 6.0377 6.0778 6.0778 6.4260 6.4260 6.4378 6.4378 7.4368 7.4368 7.4377 7.4377 11.8140 11.8140 11.8322 11.8322 12.4242 12.4242 12.4313 12.4313 k = 0.2660 1.0512 1.0269 ( 4336 PWs) bands (ev): 0.3971 0.3971 0.4000 0.4000 1.4073 1.4073 1.4104 1.4104 3.9842 3.9842 4.0007 4.0007 6.0453 6.0453 6.0861 6.0861 6.4266 6.4266 6.4386 6.4386 7.4351 7.4351 7.4364 7.4364 11.8109 11.8109 11.8300 11.8300 12.4137 12.4138 12.4239 12.4239 k = 0.2660 1.0512 1.0269 ( 4336 PWs) bands (ev): 0.3971 0.3971 0.4000 0.4000 1.4073 1.4073 1.4104 1.4104 3.9842 3.9842 4.0007 4.0007 6.0453 6.0453 6.0861 6.0861 6.4266 6.4266 6.4386 6.4386 7.4351 7.4351 7.4364 7.4364 11.8109 11.8109 11.8300 11.8300 12.4137 12.4137 12.4239 12.4239 k = 0.2601 1.0279 1.0269 ( 4336 PWs) bands (ev): 0.3995 0.3995 0.4020 0.4020 1.4217 1.4217 1.4235 1.4235 3.9754 3.9754 3.9929 3.9929 6.0179 6.0179 6.0574 6.0574 6.4221 6.4221 6.4345 6.4345 7.4419 7.4419 7.4425 7.4425 11.8152 11.8152 11.8318 11.8318 12.4547 12.4547 12.4581 12.4581 k = 0.2542 1.0045 1.0269 ( 4336 PWs) bands (ev): 0.4005 0.4005 0.4027 0.4027 1.4294 1.4294 1.4301 1.4301 3.9778 3.9778 3.9963 3.9963 5.9907 5.9907 6.0289 6.0289 6.4195 6.4195 6.4322 6.4322 7.4467 7.4467 7.4493 7.4493 11.8045 11.8045 11.8200 11.8200 12.4822 12.4822 12.4967 12.4967 k = 0.2483 0.9812 1.0269 ( 4324 PWs) bands (ev): 0.4001 0.4001 0.4019 0.4019 1.4300 1.4300 1.4306 1.4306 3.9913 3.9913 4.0108 4.0108 5.9638 5.9638 6.0005 6.0005 6.4185 6.4185 6.4317 6.4317 7.4512 7.4512 7.4560 7.4560 11.7775 11.7775 11.7939 11.7939 12.5021 12.5021 12.5209 12.5209 k = 0.2424 0.9578 1.0269 ( 4332 PWs) bands (ev): 0.3982 0.3982 0.3996 0.3996 1.4237 1.4237 1.4254 1.4254 4.0158 4.0158 4.0362 4.0362 5.9373 5.9373 5.9726 5.9726 6.4192 6.4192 6.4328 6.4328 7.4560 7.4560 7.4631 7.4631 11.7351 11.7351 11.7537 11.7537 12.5146 12.5146 12.5319 12.5319 k = 0.2365 0.9344 1.0269 ( 4332 PWs) bands (ev): 0.3946 0.3946 0.3956 0.3956 1.4116 1.4116 1.4143 1.4143 4.0506 4.0506 4.0719 4.0719 5.9114 5.9114 5.9450 5.9450 6.4214 6.4214 6.4353 6.4353 7.4615 7.4615 7.4708 7.4708 11.6793 11.6793 11.7011 11.7011 12.5225 12.5225 12.5362 12.5362 k = 0.2305 0.9111 1.0269 ( 4328 PWs) bands (ev): 0.3893 0.3893 0.3899 0.3899 1.3944 1.3944 1.3980 1.3980 4.0951 4.0951 4.1171 4.1171 5.8861 5.8861 5.9179 5.9179 6.4252 6.4252 6.4393 6.4393 7.4682 7.4682 7.4798 7.4798 11.6125 11.6125 11.6380 11.6380 12.5279 12.5279 12.5380 12.5380 k = 0.2246 0.8877 1.0269 ( 4328 PWs) bands (ev): 0.3820 0.3820 0.3824 0.3824 1.3728 1.3728 1.3771 1.3771 4.1483 4.1483 4.1709 4.1709 5.8617 5.8617 5.8915 5.8915 6.4307 6.4307 6.4447 6.4447 7.4766 7.4766 7.4904 7.4904 11.5373 11.5373 11.5665 11.5665 12.5321 12.5321 12.5390 12.5390 k = 0.2187 0.8644 1.0269 ( 4336 PWs) bands (ev): 0.3728 0.3728 0.3729 0.3729 1.3477 1.3477 1.3526 1.3526 4.2094 4.2094 4.2322 4.2322 5.8385 5.8385 5.8660 5.8660 6.4377 6.4377 6.4515 6.4515 7.4869 7.4869 7.5029 7.5029 11.4561 11.4561 11.4886 11.4886 12.5352 12.5352 12.5397 12.5397 k = 0.2128 0.8410 1.0269 ( 4336 PWs) bands (ev): 0.3615 0.3615 0.3616 0.3616 1.3198 1.3198 1.3252 1.3252 4.2771 4.2771 4.3000 4.3000 5.8168 5.8168 5.8417 5.8417 6.4463 6.4463 6.4597 6.4597 7.4996 7.4996 7.5177 7.5177 11.3707 11.3707 11.4063 11.4063 12.5373 12.5373 12.5399 12.5399 k = 0.2069 0.8176 1.0269 ( 4336 PWs) bands (ev): 0.3479 0.3479 0.3482 0.3482 1.2900 1.2900 1.2956 1.2956 4.3502 4.3502 4.3727 4.3727 5.7971 5.7971 5.8190 5.8190 6.4567 6.4567 6.4693 6.4693 7.5149 7.5149 7.5350 7.5350 11.2825 11.2825 11.3209 11.3209 12.5384 12.5384 12.5397 12.5397 k = 0.2010 0.7943 1.0269 ( 4332 PWs) bands (ev): 0.3322 0.3322 0.3326 0.3326 1.2589 1.2589 1.2647 1.2647 4.4273 4.4273 4.4490 4.4490 5.7802 5.7802 5.7987 5.7987 6.4688 6.4688 6.4806 6.4806 7.5331 7.5331 7.5551 7.5551 11.1930 11.1930 11.2338 11.2338 12.5385 12.5385 12.5388 12.5388 k = 0.1951 0.7709 1.0269 ( 4336 PWs) bands (ev): 0.3143 0.3143 0.3147 0.3147 1.2273 1.2273 1.2331 1.2331 4.5067 4.5067 4.5272 4.5272 5.7670 5.7670 5.7815 5.7815 6.4829 6.4829 6.4934 6.4934 7.5543 7.5543 7.5782 7.5782 11.1031 11.1031 11.1460 11.1460 12.5372 12.5372 12.5374 12.5374 k = 0.1892 0.7475 1.0269 ( 4332 PWs) bands (ev): 0.2942 0.2942 0.2946 0.2946 1.1956 1.1956 1.2013 1.2013 4.5867 4.5867 4.6052 4.6052 5.7589 5.7589 5.7688 5.7688 6.4988 6.4988 6.5081 6.5081 7.5787 7.5787 7.6043 7.6043 11.0136 11.0136 11.0584 11.0584 12.5347 12.5347 12.5353 12.5353 k = 0.1832 0.7242 1.0269 ( 4328 PWs) bands (ev): 0.2720 0.2720 0.2724 0.2724 1.1644 1.1644 1.1699 1.1699 4.6650 4.6650 4.6807 4.6807 5.7578 5.7578 5.7621 5.7621 6.5169 6.5169 6.5246 6.5246 7.6064 7.6064 7.6336 7.6336 10.9252 10.9252 10.9717 10.9717 12.5313 12.5313 12.5321 12.5321 k = 0.1773 0.7008 1.0269 ( 4312 PWs) bands (ev): 0.2478 0.2478 0.2480 0.2480 1.1340 1.1340 1.1391 1.1391 4.7389 4.7389 4.7509 4.7509 5.7637 5.7637 5.7656 5.7656 6.5371 6.5371 6.5431 6.5431 7.6372 7.6372 7.6661 7.6661 10.8385 10.8385 10.8866 10.8866 12.5271 12.5271 12.5278 12.5278 k = 0.1714 0.6775 1.0269 ( 4310 PWs) bands (ev): 0.2216 0.2216 0.2217 0.2217 1.1047 1.1047 1.1094 1.1094 4.8055 4.8055 4.8131 4.8131 5.7758 5.7758 5.7849 5.7849 6.5596 6.5596 6.5638 6.5638 7.6713 7.6713 7.7017 7.7017 10.7539 10.7539 10.8035 10.8035 12.5219 12.5219 12.5225 12.5225 k = 0.1655 0.6541 1.0269 ( 4314 PWs) bands (ev): 0.1935 0.1935 0.1936 0.1936 1.0767 1.0767 1.0809 1.0809 4.8619 4.8619 4.8646 4.8646 5.8010 5.8010 5.8178 5.8178 6.5846 6.5846 6.5869 6.5869 7.7086 7.7086 7.7405 7.7405 10.6718 10.6718 10.7229 10.7229 12.5158 12.5158 12.5163 12.5163 k = 0.1596 0.6307 1.0269 ( 4314 PWs) bands (ev): 0.1638 0.1638 0.1641 0.1641 1.0501 1.0501 1.0538 1.0538 4.9034 4.9034 4.9058 4.9058 5.8412 5.8412 5.8657 5.8657 6.6122 6.6122 6.6126 6.6126 7.7489 7.7489 7.7823 7.7823 10.5927 10.5927 10.6453 10.6453 12.5089 12.5089 12.5091 12.5091 k = 0.1537 0.6074 1.0269 ( 4310 PWs) bands (ev): 0.1327 0.1327 0.1333 0.1333 1.0250 1.0250 1.0281 1.0281 4.9292 4.9292 4.9360 4.9360 5.8968 5.8968 5.9284 5.9284 6.6411 6.6411 6.6426 6.6426 7.7921 7.7921 7.8272 7.8272 10.5169 10.5169 10.5709 10.5709 12.5011 12.5011 12.5011 12.5011 k = 0.1478 0.5840 1.0269 ( 4306 PWs) bands (ev): 0.1005 0.1005 0.1014 0.1014 1.0013 1.0013 1.0038 1.0038 4.9427 4.9427 4.9531 4.9531 5.9668 5.9668 6.0044 6.0044 6.6729 6.6729 6.6761 6.6761 7.8381 7.8381 7.8749 7.8749 10.4447 10.4447 10.5002 10.5002 12.4923 12.4923 12.4926 12.4926 k = 0.1419 0.5607 1.0269 ( 4310 PWs) bands (ev): 0.0675 0.0675 0.0686 0.0686 0.9790 0.9790 0.9810 0.9810 4.9458 4.9458 4.9587 4.9587 6.0489 6.0489 6.0913 6.0913 6.7085 6.7085 6.7131 6.7131 7.8867 7.8867 7.9254 7.9254 10.3764 10.3764 10.4336 10.4336 12.4827 12.4827 12.4834 12.4834 k = 0.1360 0.5373 1.0269 ( 4310 PWs) bands (ev): 0.0340 0.0340 0.0353 0.0353 0.9581 0.9581 0.9595 0.9595 4.9405 4.9405 4.9549 4.9549 6.1399 6.1399 6.1857 6.1857 6.7485 6.7485 6.7542 6.7542 7.9378 7.9378 7.9786 7.9786 10.3123 10.3123 10.3713 10.3713 12.4723 12.4723 12.4734 12.4734 k = 0.1300 0.5139 1.0269 ( 4310 PWs) bands (ev): 0.0002 0.0002 0.0017 0.0017 0.9385 0.9385 0.9394 0.9394 4.9288 4.9288 4.9441 4.9441 6.2364 6.2364 6.2843 6.2843 6.7942 6.7942 6.8002 6.8002 7.9911 7.9911 8.0342 8.0342 10.2528 10.2528 10.3137 10.3137 12.4610 12.4610 12.4626 12.4626 k = 0.1241 0.4906 1.0269 ( 4310 PWs) bands (ev): -0.0336 -0.0336 -0.0319 -0.0319 0.9200 0.9200 0.9205 0.9205 4.9124 4.9124 4.9279 4.9279 6.3351 6.3351 6.3835 6.3835 6.8470 6.8470 6.8520 6.8520 8.0464 8.0464 8.0923 8.0923 10.1983 10.1983 10.2614 10.2614 12.4487 12.4487 12.4509 12.4509 k = 0.1182 0.4672 1.0269 ( 4314 PWs) bands (ev): -0.0672 -0.0672 -0.0653 -0.0653 0.9027 0.9027 0.9027 0.9027 4.8926 4.8926 4.9081 4.9081 6.4326 6.4326 6.4795 6.4795 6.9087 6.9087 6.9109 6.9109 8.1036 8.1036 8.1525 8.1525 10.1491 10.1491 10.2146 10.2146 12.4350 12.4350 12.4379 12.4379 k = 0.1123 0.4439 1.0269 ( 4310 PWs) bands (ev): -0.1003 -0.1003 -0.0983 -0.0983 0.8861 0.8861 0.8865 0.8865 4.8705 4.8705 4.8856 4.8856 6.5258 6.5258 6.5688 6.5688 6.9782 6.9782 6.9811 6.9811 8.1624 8.1624 8.2149 8.2149 10.1057 10.1057 10.1740 10.1740 12.4193 12.4193 12.4231 12.4231 k = 0.1064 0.4205 1.0269 ( 4306 PWs) bands (ev): -0.1327 -0.1327 -0.1306 -0.1306 0.8705 0.8705 0.8712 0.8712 4.8469 4.8469 4.8616 4.8616 6.6121 6.6121 6.6493 6.6493 7.0547 7.0547 7.0646 7.0646 8.2230 8.2230 8.2793 8.2793 10.0686 10.0686 10.1399 10.1399 12.4001 12.4001 12.4049 12.4049 k = 0.1005 0.3971 1.0269 ( 4306 PWs) bands (ev): -0.1642 -0.1642 -0.1621 -0.1621 0.8558 0.8558 0.8569 0.8569 4.8225 4.8225 4.8365 4.8365 6.6903 6.6903 6.7205 6.7205 7.1399 7.1399 7.1582 7.1582 8.2851 8.2851 8.3458 8.3458 10.0382 10.0382 10.1130 10.1130 12.3743 12.3743 12.3794 12.3794 k = 0.0946 0.3738 1.0269 ( 4298 PWs) bands (ev): -0.1947 -0.1947 -0.1926 -0.1926 0.8422 0.8422 0.8435 0.8435 4.7978 4.7978 4.8111 4.8111 6.7605 6.7605 6.7837 6.7837 7.2320 7.2320 7.2586 7.2586 8.3490 8.3490 8.4145 8.4145 10.0150 10.0150 10.0937 10.0937 12.3351 12.3351 12.3377 12.3377 k = 0.0887 0.3504 1.0269 ( 4298 PWs) bands (ev): -0.2240 -0.2240 -0.2219 -0.2219 0.8294 0.8294 0.8309 0.8309 4.7732 4.7732 4.7858 4.7858 6.8238 6.8238 6.8408 6.8408 7.3280 7.3280 7.3621 7.3621 8.4151 8.4151 8.4856 8.4856 9.9995 9.9995 10.0824 10.0824 12.2703 12.2703 12.2747 12.2747 k = 0.0828 0.3271 1.0269 ( 4294 PWs) bands (ev): -0.2519 -0.2519 -0.2498 -0.2498 0.8174 0.8174 0.8191 0.8191 4.7491 4.7491 4.7609 4.7609 6.8815 6.8815 6.8933 6.8933 7.4247 7.4247 7.4651 7.4651 8.4839 8.4839 8.5594 8.5594 9.9920 9.9920 10.0795 10.0795 12.1815 12.1815 12.1934 12.1934 k = 0.0768 0.3037 1.0269 ( 4294 PWs) bands (ev): -0.2784 -0.2784 -0.2763 -0.2763 0.8064 0.8064 0.8081 0.8081 4.7257 4.7257 4.7368 4.7368 6.9350 6.9350 6.9426 6.9426 7.5188 7.5188 7.5640 7.5640 8.5564 8.5564 8.6366 8.6366 9.9926 9.9926 10.0851 10.0851 12.0828 12.0828 12.0999 12.0999 k = 0.0709 0.2803 1.0269 ( 4296 PWs) bands (ev): -0.3033 -0.3033 -0.3013 -0.3013 0.7961 0.7961 0.7979 0.7979 4.7034 4.7034 4.7136 4.7136 6.9849 6.9849 6.9892 6.9892 7.6075 7.6075 7.6558 7.6558 8.6334 8.6334 8.7177 8.7177 10.0012 10.0012 10.0989 10.0989 11.9810 11.9810 12.0018 12.0018 k = 0.0650 0.2570 1.0269 ( 4304 PWs) bands (ev): -0.3265 -0.3265 -0.3246 -0.3246 0.7867 0.7867 0.7885 0.7885 4.6822 4.6822 4.6917 4.6917 7.0319 7.0319 7.0336 7.0336 7.6884 7.6884 7.7382 7.7382 8.7160 8.7160 8.8034 8.8034 10.0172 10.0172 10.1202 10.1202 11.8800 11.8800 11.9036 11.9036 k = 0.0591 0.2336 1.0269 ( 4300 PWs) bands (ev): -0.3479 -0.3479 -0.3461 -0.3461 0.7781 0.7781 0.7799 0.7799 4.6625 4.6625 4.6711 4.6711 7.0758 7.0758 7.0763 7.0763 7.7598 7.7598 7.8093 7.8093 8.8047 8.8047 8.8939 8.8939 10.0392 10.0392 10.1476 10.1476 11.7830 11.7830 11.8087 11.8087 k = 0.0532 0.2102 1.0269 ( 4300 PWs) bands (ev): -0.3675 -0.3675 -0.3659 -0.3659 0.7703 0.7703 0.7720 0.7720 4.6442 4.6442 4.6520 4.6520 7.1159 7.1159 7.1179 7.1179 7.8210 7.8210 7.8684 7.8684 8.8996 8.8996 8.9894 8.9894 10.0655 10.0655 10.1788 10.1788 11.6928 11.6928 11.7204 11.7204 k = 0.0473 0.1869 1.0269 ( 4292 PWs) bands (ev): -0.3852 -0.3852 -0.3837 -0.3837 0.7633 0.7633 0.7650 0.7650 4.6277 4.6277 4.6346 4.6346 7.1536 7.1536 7.1567 7.1567 7.8715 7.8715 7.9155 7.9155 9.0002 9.0002 9.0894 9.0894 10.0929 10.0929 10.2105 10.2105 11.6133 11.6133 11.6419 11.6419 k = 0.0414 0.1635 1.0269 ( 4294 PWs) bands (ev): -0.4009 -0.4009 -0.3996 -0.3996 0.7572 0.7572 0.7587 0.7587 4.6129 4.6129 4.6189 4.6189 7.1887 7.1887 7.1924 7.1924 7.9121 7.9121 7.9516 7.9516 9.1051 9.1051 9.1930 9.1930 10.1175 10.1175 10.2382 10.2382 11.5489 11.5489 11.5772 11.5772 k = 0.0355 0.1402 1.0269 ( 4290 PWs) bands (ev): -0.4146 -0.4146 -0.4134 -0.4134 0.7519 0.7519 0.7532 0.7532 4.5999 4.5999 4.6051 4.6051 7.2206 7.2206 7.2247 7.2247 7.9436 7.9436 7.9781 7.9781 9.2129 9.2129 9.2991 9.2991 10.1349 10.1349 10.2562 10.2562 11.5048 11.5048 11.5309 11.5309 k = 0.0296 0.1168 1.0269 ( 4286 PWs) bands (ev): -0.4263 -0.4263 -0.4253 -0.4253 0.7474 0.7474 0.7485 0.7485 4.5889 4.5889 4.5933 4.5933 7.2490 7.2490 7.2531 7.2531 7.9675 7.9675 7.9965 7.9965 9.3217 9.3217 9.4059 9.4059 10.1401 10.1401 10.2591 10.2591 11.4860 11.4860 11.5073 11.5073 k = 0.0236 0.0934 1.0269 ( 4278 PWs) bands (ev): -0.4358 -0.4358 -0.4350 -0.4350 0.7437 0.7437 0.7446 0.7446 4.5799 4.5799 4.5834 4.5834 7.2734 7.2734 7.2771 7.2771 7.9852 7.9852 8.0085 8.0085 9.4295 9.4295 9.5113 9.5113 10.1300 10.1300 10.2430 10.2430 11.4957 11.4957 11.5094 11.5094 k = 0.0177 0.0701 1.0269 ( 4276 PWs) bands (ev): -0.4432 -0.4432 -0.4426 -0.4426 0.7409 0.7409 0.7416 0.7416 4.5730 4.5730 4.5756 4.5756 7.2932 7.2932 7.2963 7.2963 7.9979 7.9979 8.0154 8.0154 9.5339 9.5339 9.6120 9.6120 10.1045 10.1045 10.2077 10.2077 11.5337 11.5337 11.5378 11.5378 k = 0.0118 0.0467 1.0269 ( 4272 PWs) bands (ev): -0.4485 -0.4485 -0.4481 -0.4481 0.7389 0.7389 0.7394 0.7394 4.5681 4.5681 4.5698 4.5698 7.3079 7.3079 7.3101 7.3101 8.0069 8.0069 8.0186 8.0186 9.6311 9.6311 9.7015 9.7015 10.0690 10.0690 10.1566 10.1566 11.5898 11.5898 11.5956 11.5956 k = 0.0059 0.0234 1.0269 ( 4268 PWs) bands (ev): -0.4517 -0.4517 -0.4515 -0.4515 0.7377 0.7377 0.7380 0.7380 4.5653 4.5653 4.5662 4.5662 7.3172 7.3172 7.3184 7.3184 8.0131 8.0131 8.0190 8.0190 9.7146 9.7146 9.7634 9.7634 10.0404 10.0404 10.0980 10.0980 11.6580 11.6580 11.6710 11.6710 k = 0.0000 0.0000 1.0269 ( 4272 PWs) bands (ev): -0.4526 -0.4526 -0.4526 -0.4526 0.7374 0.7374 0.7374 0.7374 4.5647 4.5647 4.5647 4.5647 7.3207 7.3207 7.3207 7.3207 8.0171 8.0171 8.0171 8.0171 9.7681 9.7681 9.7681 9.7681 10.0496 10.0496 10.0496 10.0496 11.7130 11.7130 11.7130 11.7130 k = 0.0000 0.0000 1.0269 ( 4272 PWs) bands (ev): -0.4526 -0.4526 -0.4526 -0.4526 0.7374 0.7374 0.7374 0.7374 4.5647 4.5647 4.5647 4.5647 7.3207 7.3207 7.3207 7.3207 8.0171 8.0171 8.0171 8.0171 9.7681 9.7681 9.7681 9.7681 10.0496 10.0496 10.0496 10.0496 11.7130 11.7130 11.7130 11.7130 k = 0.0000 0.0000 1.0024 ( 4272 PWs) bands (ev): -0.5701 -0.5701 -0.3335 -0.3335 0.6399 0.6399 0.8361 0.8361 4.4621 4.4621 4.6705 4.6705 7.3130 7.3130 7.3298 7.3298 8.0158 8.0158 8.0167 8.0167 9.6944 9.6944 9.8409 9.8409 9.9926 9.9926 10.1068 10.1068 11.6039 11.6039 11.7868 11.7868 k = 0.0000 0.0000 0.9780 ( 4272 PWs) bands (ev): -0.6855 -0.6855 -0.2127 -0.2127 0.5437 0.5437 0.9357 0.9357 4.3631 4.3631 4.7790 4.7790 7.3066 7.3066 7.3399 7.3399 8.0131 8.0131 8.0144 8.0144 9.6206 9.6206 9.9100 9.9100 9.9390 9.9390 10.1619 10.1619 11.4967 11.4967 11.7940 11.7940 k = 0.0000 0.0000 0.9535 ( 4276 PWs) bands (ev): -0.7990 -0.7990 -0.0905 -0.0905 0.4490 0.4490 1.0360 1.0360 4.2683 4.2683 4.8898 4.8898 7.3018 7.3018 7.3510 7.3510 8.0092 8.0092 8.0099 8.0099 9.5479 9.5479 9.8838 9.8838 9.9809 9.9809 10.2116 10.2116 11.3985 11.3985 11.7936 11.7936 k = 0.0000 0.0000 0.9291 ( 4272 PWs) bands (ev): -0.9103 -0.9103 0.0327 0.0327 0.3561 0.3561 1.1366 1.1366 4.1784 4.1784 5.0026 5.0026 7.2985 7.2985 7.3628 7.3628 8.0027 8.0027 8.0045 8.0045 9.4770 9.4770 9.8359 9.8359 10.0443 10.0443 10.2517 10.2517 11.3142 11.3142 11.7987 11.7987 k = 0.0000 0.0000 0.9046 ( 4280 PWs) bands (ev): -1.0194 -1.0194 0.1562 0.1562 0.2655 0.2655 1.2372 1.2372 4.0939 4.0939 5.1168 5.1168 7.2968 7.2968 7.3749 7.3749 7.9928 7.9928 7.9989 7.9989 9.4088 9.4088 9.7928 9.7928 10.1028 10.1028 10.2769 10.2769 11.2491 11.2491 11.8118 11.8118 k = 0.0000 0.0000 0.8802 ( 4292 PWs) bands (ev): -1.1262 -1.1262 0.1735 0.1735 0.2834 0.2834 1.3375 1.3375 4.0157 4.0157 5.2322 5.2322 7.2967 7.2967 7.3871 7.3871 7.9798 7.9798 7.9925 7.9925 9.3440 9.3440 9.7554 9.7554 10.1552 10.1552 10.2817 10.2817 11.2086 11.2086 11.8340 11.8340 k = 0.0000 0.0000 0.8557 ( 4296 PWs) bands (ev): -1.2307 -1.2307 0.0867 0.0867 0.4074 0.4074 1.4370 1.4370 3.9447 3.9447 5.3483 5.3483 7.2982 7.2982 7.3989 7.3989 7.9636 7.9636 7.9856 7.9856 9.2835 9.2835 9.7242 9.7242 10.2001 10.2001 10.2633 10.2633 11.1959 11.1959 11.8659 11.8659 k = 0.0000 0.0000 0.8313 ( 4296 PWs) bands (ev): -1.3327 -1.3327 0.0013 0.0013 0.5315 0.5315 1.5353 1.5353 3.8819 3.8819 5.4648 5.4648 7.3013 7.3013 7.4098 7.4098 7.9441 7.9441 7.9782 7.9782 9.2280 9.2280 9.6997 9.6997 10.2126 10.2126 10.2468 10.2468 11.2099 11.2099 11.9074 11.9074 k = 0.0000 0.0000 0.8068 ( 4298 PWs) bands (ev): -1.4322 -1.4322 -0.0821 -0.0821 0.6542 0.6542 1.6320 1.6320 3.8286 3.8286 5.5811 5.5811 7.3059 7.3059 7.4194 7.4194 7.9212 7.9212 7.9703 7.9703 9.1782 9.1782 9.6820 9.6820 10.1539 10.1539 10.2755 10.2755 11.2460 11.2460 11.9522 11.9522 k = 0.0000 0.0000 0.7824 ( 4296 PWs) bands (ev): -1.5292 -1.5292 -0.1634 -0.1634 0.7745 0.7745 1.7268 1.7268 3.7861 3.7861 5.6969 5.6969 7.3119 7.3119 7.4271 7.4271 7.8952 7.8952 7.9619 7.9619 9.1349 9.1349 9.6711 9.6711 10.0781 10.0781 10.3011 10.3011 11.2982 11.2982 11.8829 11.8829 k = 0.0000 0.0000 0.7579 ( 4292 PWs) bands (ev): -1.6236 -1.6236 -0.2426 -0.2426 0.8909 0.8909 1.8197 1.8197 3.7557 3.7557 5.8116 5.8116 7.3194 7.3194 7.4325 7.4325 7.8662 7.8662 7.9531 7.9531 9.0989 9.0989 9.6668 9.6668 9.9931 9.9931 10.3215 10.3215 11.3609 11.3609 11.8025 11.8025 k = 0.0000 0.0000 0.7335 ( 4292 PWs) bands (ev): -1.7153 -1.7153 -0.3195 -0.3195 1.0018 1.0018 1.9111 1.9111 3.7388 3.7388 5.9248 5.9248 7.3281 7.3281 7.4349 7.4349 7.8346 7.8346 7.9437 7.9437 9.0706 9.0706 9.6683 9.6683 9.9035 9.9035 10.3373 10.3373 11.4297 11.4297 11.7242 11.7242 k = 0.0000 0.0000 0.7090 ( 4292 PWs) bands (ev): -1.8044 -1.8044 -0.3941 -0.3941 1.1049 1.1049 2.0019 2.0019 3.7366 3.7366 6.0358 6.0358 7.3380 7.3380 7.4341 7.4341 7.8008 7.8008 7.9338 7.9338 9.0508 9.0508 9.6727 9.6727 9.8144 9.8144 10.3494 10.3494 11.5011 11.5011 11.6496 11.6496 k = 0.0000 0.0000 0.6846 ( 4286 PWs) bands (ev): -1.8908 -1.8908 -0.4664 -0.4664 1.1977 1.1977 2.0935 2.0935 3.7499 3.7499 6.1440 6.1440 7.3490 7.3490 7.4296 7.4296 7.7653 7.7653 7.9233 7.9233 9.0397 9.0397 9.6613 9.6613 9.7459 9.7459 10.3588 10.3588 11.5721 11.5721 11.5801 11.5801 k = 0.0000 0.0000 0.6601 ( 4290 PWs) bands (ev): -1.9744 -1.9744 -0.5363 -0.5363 1.2778 1.2778 2.1881 2.1881 3.7792 3.7792 6.2487 6.2487 7.3610 7.3610 7.4214 7.4214 7.7286 7.7286 7.9121 7.9121 9.0376 9.0376 9.5931 9.5931 9.7399 9.7399 10.3664 10.3664 11.5164 11.5164 11.6386 11.6412 k = 0.0000 0.0000 0.6357 ( 4284 PWs) bands (ev): -2.0553 -2.0553 -0.6039 -0.6039 1.3431 1.3431 2.2877 2.2877 3.8242 3.8242 6.3493 6.3493 7.3737 7.3737 7.4093 7.4093 7.6913 7.6913 7.9002 7.9002 9.0443 9.0443 9.5030 9.5030 9.7621 9.7621 10.3731 10.3731 11.4600 11.4600 11.5608 11.5608 k = 0.0000 0.0000 0.6112 ( 4284 PWs) bands (ev): -2.1334 -2.1334 -0.6691 -0.6691 1.3925 1.3925 2.3941 2.3941 3.8842 3.8842 6.4449 6.4449 7.3870 7.3870 7.3937 7.3937 7.6541 7.6541 7.8874 7.8874 9.0593 9.0593 9.4105 9.4105 9.7935 9.7935 10.3797 10.3797 11.4116 11.4116 11.4780 11.4780 k = 0.0000 0.0000 0.5868 ( 4284 PWs) bands (ev): -2.2086 -2.2086 -0.7318 -0.7318 1.4262 1.4262 2.5081 2.5081 3.9581 3.9581 6.5346 6.5346 7.3744 7.3744 7.4011 7.4011 7.6176 7.6176 7.8736 7.8736 9.0809 9.0809 9.3203 9.3203 9.8310 9.8310 10.3869 10.3869 11.3722 11.3722 11.3940 11.3940 k = 0.0000 0.0000 0.5623 ( 4284 PWs) bands (ev): -2.2809 -2.2809 -0.7921 -0.7921 1.4454 1.4454 2.6296 2.6296 4.0444 4.0444 6.6176 6.6176 7.3524 7.3524 7.4153 7.4153 7.5828 7.5828 7.8587 7.8587 9.1027 9.1027 9.2395 9.2395 9.8733 9.8733 10.3953 10.3953 11.3087 11.3087 11.3426 11.3426 k = 0.0000 0.0000 0.5379 ( 4288 PWs) bands (ev): -2.3504 -2.3504 -0.8500 -0.8500 1.4521 1.4521 2.7581 2.7581 4.1417 4.1417 6.6928 6.6928 7.3278 7.3278 7.4296 7.4296 7.5504 7.5504 7.8425 7.8425 9.0886 9.0886 9.2040 9.2040 9.9199 9.9199 10.4053 10.4053 11.2221 11.2221 11.3233 11.3233 k = 0.0000 0.0000 0.5134 ( 4294 PWs) bands (ev): -2.4170 -2.4170 -0.9053 -0.9053 1.4486 1.4486 2.8924 2.8924 4.2483 4.2483 6.7592 6.7592 7.3012 7.3012 7.4437 7.4437 7.5216 7.5216 7.8249 7.8249 9.0189 9.0189 9.2334 9.2334 9.9704 9.9704 10.4175 10.4175 11.1340 11.1340 11.3149 11.3149 k = 0.0000 0.0000 0.4890 ( 4298 PWs) bands (ev): -2.4806 -2.4806 -0.9582 -0.9582 1.4371 1.4371 3.0315 3.0315 4.3629 4.3629 6.8157 6.8157 7.2731 7.2731 7.4564 7.4564 7.4984 7.4984 7.8058 7.8058 8.9363 8.9363 9.2844 9.2844 10.0242 10.0242 10.4322 10.4322 11.0445 11.0445 11.3178 11.3178 k = 0.0000 0.0000 0.4645 ( 4310 PWs) bands (ev): -2.5413 -2.5413 -1.0086 -1.0086 1.4194 1.4194 3.1744 3.1744 4.4843 4.4843 6.8615 6.8615 7.2439 7.2439 7.4623 7.4623 7.4869 7.4869 7.7849 7.7849 8.8525 8.8525 9.3451 9.3451 10.0811 10.0811 10.4498 10.4498 10.9534 10.9534 11.3324 11.3324 k = 0.0000 0.0000 0.4401 ( 4310 PWs) bands (ev): -2.5989 -2.5989 -1.0564 -1.0564 1.3973 1.3973 3.3203 3.3203 4.6114 4.6114 6.8959 6.8959 7.2140 7.2140 7.4555 7.4555 7.4936 7.4936 7.7620 7.7620 8.7697 8.7697 9.4127 9.4127 10.1406 10.1406 10.4704 10.4704 10.8607 10.8607 11.3586 11.3586 k = 0.0000 0.0000 0.4156 ( 4314 PWs) bands (ev): -2.6536 -2.6536 -1.1017 -1.1017 1.3721 1.3721 3.4682 3.4682 4.7432 4.7432 6.9190 6.9190 7.1839 7.1839 7.4489 7.4489 7.5057 7.5057 7.7370 7.7370 8.6885 8.6885 9.4863 9.4863 10.2024 10.2024 10.4942 10.4942 10.7665 10.7665 11.3963 11.3963 k = 0.0000 0.0000 0.3912 ( 4310 PWs) bands (ev): -2.7053 -2.7053 -1.1445 -1.1445 1.3449 1.3449 3.6174 3.6174 4.8789 4.8789 6.9314 6.9314 7.1540 7.1540 7.4468 7.4468 7.5182 7.5182 7.7096 7.7096 8.6092 8.6092 9.5651 9.5651 10.2661 10.2661 10.5212 10.5212 10.6711 10.6711 11.4451 11.4451 k = 0.0000 0.0000 0.3667 ( 4306 PWs) bands (ev): -2.7539 -2.7539 -1.1847 -1.1847 1.3166 1.3166 3.7672 3.7672 5.0176 5.0176 6.9349 6.9349 7.1246 7.1246 7.4487 7.4487 7.5303 7.5303 7.6795 7.6795 8.5320 8.5320 9.6484 9.6484 10.3310 10.3310 10.5467 10.5467 10.5798 10.5798 11.5045 11.5045 k = 0.0000 0.0000 0.3423 ( 4306 PWs) bands (ev): -2.7994 -2.7994 -1.2223 -1.2223 1.2880 1.2880 3.9170 3.9170 5.1587 5.1587 6.9312 6.9312 7.0960 7.0960 7.4533 7.4533 7.5418 7.5418 7.6466 7.6466 8.4567 8.4567 9.7358 9.7358 10.3946 10.3946 10.4759 10.4759 10.5899 10.5899 11.5737 11.5737 k = 0.0000 0.0000 0.3178 ( 4294 PWs) bands (ev): -2.8419 -2.8419 -1.2574 -1.2574 1.2596 1.2596 4.0660 4.0660 5.3015 5.3015 6.9224 6.9224 7.0685 7.0685 7.4594 7.4594 7.5522 7.5522 7.6109 7.6109 8.3835 8.3835 9.8267 9.8267 10.3683 10.3683 10.4716 10.4716 10.6274 10.6274 11.6515 11.6515 k = 0.0000 0.0000 0.2934 ( 4292 PWs) bands (ev): -2.8813 -2.8813 -1.2899 -1.2899 1.2320 1.2320 4.2136 4.2136 5.4454 5.4454 6.9102 6.9102 7.0423 7.0423 7.4656 7.4656 7.5580 7.5580 7.5758 7.5758 8.3122 8.3122 9.9201 9.9201 10.2719 10.2719 10.5377 10.5377 10.6690 10.6690 11.7360 11.7360 k = 0.0000 0.0000 0.2689 ( 4292 PWs) bands (ev): -2.9176 -2.9176 -1.3198 -1.3198 1.2055 1.2055 4.3588 4.3588 5.5896 5.5896 6.8959 6.8959 7.0175 7.0175 7.4712 7.4712 7.5262 7.5262 7.5742 7.5742 8.2426 8.2426 10.0127 10.0127 10.1776 10.1776 10.6058 10.6058 10.7143 10.7143 11.7889 11.7889 k = 0.0000 0.0000 0.2445 ( 4296 PWs) bands (ev): -2.9508 -2.9508 -1.3471 -1.3471 1.1805 1.1805 4.5010 4.5010 5.7335 5.7335 6.8808 6.8808 6.9945 6.9945 7.4718 7.4718 7.4851 7.4851 7.5819 7.5819 8.1746 8.1746 10.0500 10.0500 10.1417 10.1417 10.6737 10.6737 10.7627 10.7627 11.7651 11.7651 k = 0.0000 0.0000 0.2200 ( 4288 PWs) bands (ev): -2.9809 -2.9809 -1.3719 -1.3719 1.1572 1.1572 4.6390 4.6390 5.8763 5.8763 6.8655 6.8655 6.9732 6.9732 7.4296 7.4296 7.4819 7.4819 7.5893 7.5893 8.1078 8.1078 9.9682 9.9682 10.2288 10.2288 10.7407 10.7407 10.8141 10.8141 11.7383 11.7383 k = 0.0000 0.0000 0.1956 ( 4276 PWs) bands (ev): -3.0078 -3.0078 -1.3940 -1.3940 1.1358 1.1358 4.7716 4.7716 6.0171 6.0171 6.8508 6.8508 6.9537 6.9537 7.3777 7.3777 7.4844 7.4844 7.5960 7.5960 8.0420 8.0420 9.8782 9.8782 10.3288 10.3288 10.8059 10.8059 10.8679 10.8679 11.7117 11.7117 k = 0.0000 0.0000 0.1711 ( 4274 PWs) bands (ev): -3.0316 -3.0316 -1.4136 -1.4136 1.1166 1.1166 4.8974 4.8974 6.1548 6.1548 6.8370 6.8370 6.9363 6.9363 7.3234 7.3234 7.4863 7.4863 7.6018 7.6018 7.9769 7.9769 9.7921 9.7921 10.4300 10.4300 10.8684 10.8684 10.9235 10.9235 11.6863 11.6863 k = 0.0000 0.0000 0.1467 ( 4274 PWs) bands (ev): -3.0522 -3.0522 -1.4306 -1.4306 1.0997 1.0997 5.0147 5.0147 6.2883 6.2883 6.8245 6.8245 6.9209 6.9209 7.2676 7.2676 7.4874 7.4874 7.6069 7.6069 7.9124 7.9124 9.7124 9.7124 10.5302 10.5302 10.9271 10.9271 10.9799 10.9799 11.6627 11.6627 k = 0.0000 0.0000 0.1222 ( 4272 PWs) bands (ev): -3.0697 -3.0697 -1.4449 -1.4449 1.0852 1.0852 5.1213 5.1213 6.4160 6.4160 6.8137 6.8137 6.9077 6.9077 7.2116 7.2116 7.4879 7.4879 7.6112 7.6112 7.8489 7.8489 9.6411 9.6411 10.6273 10.6273 10.9808 10.9808 11.0361 11.0361 11.6415 11.6415 k = 0.0000 0.0000 0.0978 ( 4266 PWs) bands (ev): -3.0840 -3.0840 -1.4566 -1.4566 1.0732 1.0732 5.2148 5.2148 6.5356 6.5356 6.8047 6.8047 6.8971 6.8971 7.1565 7.1565 7.4880 7.4880 7.6147 7.6147 7.7878 7.7878 9.5800 9.5800 10.7185 10.7185 11.0281 11.0281 11.0902 11.0902 11.6232 11.6232 k = 0.0000 0.0000 0.0733 ( 4256 PWs) bands (ev): -3.0951 -3.0951 -1.4658 -1.4658 1.0638 1.0638 5.2923 5.2923 6.6440 6.6440 6.7980 6.7980 6.8897 6.8897 7.1030 7.1030 7.4879 7.4879 7.6174 7.6174 7.7314 7.7314 9.5306 9.5306 10.7998 10.7998 11.0672 11.0672 11.1397 11.1397 11.6082 11.6082 k = 0.0000 0.0000 0.0489 ( 4256 PWs) bands (ev): -3.1031 -3.1031 -1.4723 -1.4723 1.0571 1.0571 5.3508 5.3508 6.7345 6.7345 6.7952 6.7952 6.8883 6.8883 7.0509 7.0509 7.4877 7.4877 7.6193 7.6193 7.6842 7.6842 9.4944 9.4944 10.8657 10.8657 11.0966 11.0966 11.1808 11.1808 11.5971 11.5971 k = 0.0000 0.0000 0.0244 ( 4262 PWs) bands (ev): -3.1078 -3.1078 -1.4762 -1.4762 1.0530 1.0530 5.3872 5.3872 6.7790 6.7790 6.8115 6.8115 6.9029 6.9029 6.9989 6.9989 7.4875 7.4875 7.6205 7.6205 7.6518 7.6518 9.4722 9.4722 10.9097 10.9097 11.1150 11.1150 11.2086 11.2086 11.5901 11.5901 k = 0.0000 0.0000 0.0000 ( 4261 PWs) bands (ev): -3.1094 -3.1094 -1.4775 -1.4775 1.0517 1.0517 5.3997 5.3997 6.7821 6.7821 6.8272 6.8272 6.9390 6.9390 6.9526 6.9526 7.4874 7.4874 7.6210 7.6210 7.6402 7.6402 9.4647 9.4647 10.9252 10.9252 11.1213 11.1213 11.2186 11.2186 11.5877 11.5877 k = 0.0000 0.0000 0.0000 ( 4261 PWs) bands (ev): -3.1094 -3.1094 -1.4775 -1.4775 1.0517 1.0517 5.3997 5.3997 6.7821 6.7821 6.8272 6.8272 6.9390 6.9390 6.9526 6.9526 7.4874 7.4874 7.6210 7.6210 7.6402 7.6402 9.4647 9.4647 10.9252 10.9252 11.1213 11.1213 11.2186 11.2186 11.5877 11.5877 k =-0.0238 0.0060 0.0000 ( 4259 PWs) bands (ev): -3.1080 -3.1080 -1.4818 -1.4818 1.0571 1.0571 5.4000 5.4000 6.7141 6.7141 6.8236 6.8236 6.9388 6.9388 7.0200 7.0200 7.4892 7.4892 7.6228 7.6228 7.6393 7.6393 9.4619 9.4619 10.9248 10.9248 11.1220 11.1220 11.2191 11.2191 11.5918 11.5918 k =-0.0476 0.0120 0.0000 ( 4255 PWs) bands (ev): -3.1038 -3.1038 -1.4943 -1.4943 1.0733 1.0733 5.4011 5.4011 6.5942 6.5942 6.8225 6.8225 6.9382 6.9382 7.1272 7.1272 7.4961 7.4961 7.6284 7.6284 7.6368 7.6368 9.4536 9.4536 10.9238 10.9238 11.1240 11.1240 11.2205 11.2205 11.6042 11.6042 k =-0.0714 0.0181 0.0000 ( 4263 PWs) bands (ev): -3.0968 -3.0968 -1.5148 -1.5148 1.0998 1.0998 5.4028 5.4028 6.4653 6.4653 6.8216 6.8216 6.9376 6.9376 7.2278 7.2278 7.5135 7.5135 7.6326 7.6326 7.6375 7.6375 9.4404 9.4404 10.9221 10.9221 11.1274 11.1274 11.2227 11.2227 11.6239 11.6239 k =-0.0952 0.0241 0.0000 ( 4266 PWs) bands (ev): -3.0871 -3.0871 -1.5427 -1.5427 1.1359 1.1359 5.4052 5.4052 6.3336 6.3336 6.8202 6.8202 6.9373 6.9373 7.3048 7.3048 7.5524 7.5524 7.6272 7.6272 7.6498 7.6498 9.4235 9.4235 10.9197 10.9197 11.1321 11.1321 11.2257 11.2257 11.6423 11.6423 k =-0.1190 0.0301 0.0000 ( 4266 PWs) bands (ev): -3.0746 -3.0746 -1.5772 -1.5772 1.1808 1.1808 5.4081 5.4081 6.2012 6.2012 6.8179 6.8179 6.9378 6.9378 7.3480 7.3480 7.6124 7.6124 7.6288 7.6288 7.6652 7.6652 9.4041 9.4041 10.9168 10.9168 11.1380 11.1380 11.2293 11.2293 11.6021 11.6021 k =-0.1429 0.0361 0.0000 ( 4254 PWs) bands (ev): -3.0593 -3.0593 -1.6174 -1.6174 1.2333 1.2333 5.4116 5.4116 6.0690 6.0690 6.8146 6.8146 6.9394 6.9394 7.3655 7.3655 7.6095 7.6095 7.6816 7.6816 7.7138 7.7138 9.3839 9.3839 10.9135 10.9135 11.1450 11.1450 11.2334 11.2334 11.5388 11.5388 k =-0.1667 0.0422 0.0000 ( 4254 PWs) bands (ev): -3.0414 -3.0414 -1.6626 -1.6626 1.2924 1.2924 5.4155 5.4155 5.9379 5.9379 6.8103 6.8103 6.9425 6.9425 7.3701 7.3701 7.5997 7.5997 7.7017 7.7017 7.8095 7.8095 9.3650 9.3650 10.9099 10.9099 11.1530 11.1530 11.2377 11.2377 11.4735 11.4735 k =-0.1905 0.0482 0.0000 ( 4256 PWs) bands (ev): -3.0209 -3.0209 -1.7117 -1.7117 1.3570 1.3570 5.4197 5.4197 5.8086 5.8086 6.8048 6.8048 6.9472 6.9472 7.3685 7.3685 7.5884 7.5884 7.7229 7.7229 7.9041 7.9041 9.3494 9.3494 10.9060 10.9060 11.1619 11.1619 11.2419 11.2419 11.4087 11.4087 k =-0.2143 0.0542 0.0000 ( 4260 PWs) bands (ev): -2.9978 -2.9978 -1.7641 -1.7641 1.4258 1.4258 5.4240 5.4240 5.6819 5.6819 6.7986 6.7986 6.9534 6.9534 7.3641 7.3641 7.5761 7.5761 7.7451 7.7451 7.9926 7.9926 9.3396 9.3396 10.9020 10.9020 11.1713 11.1713 11.2449 11.2449 11.3465 11.3465 k =-0.2381 0.0602 0.0000 ( 4260 PWs) bands (ev): -2.9723 -2.9723 -1.8188 -1.8188 1.4976 1.4976 5.4280 5.4280 5.5590 5.5590 6.7917 6.7917 6.9610 6.9610 7.3582 7.3582 7.5629 7.5629 7.7679 7.7679 8.0718 8.0718 9.3378 9.3378 10.8979 10.8979 11.1811 11.1811 11.2405 11.2405 11.2939 11.2939 k =-0.2619 0.0663 0.0000 ( 4266 PWs) bands (ev): -2.9443 -2.9443 -1.8752 -1.8752 1.5711 1.5711 5.4212 5.4212 5.4509 5.4509 6.7845 6.7845 6.9698 6.9698 7.3517 7.3517 7.5491 7.5491 7.7908 7.7908 8.1397 8.1397 9.3459 9.3459 10.8939 10.8939 11.1899 11.1899 11.2078 11.2078 11.2736 11.2736 k =-0.2857 0.0723 0.0000 ( 4272 PWs) bands (ev): -2.9142 -2.9142 -1.9326 -1.9326 1.6449 1.6449 5.3210 5.3210 5.4413 5.4413 6.7773 6.7773 6.9794 6.9794 7.3453 7.3453 7.5349 7.5349 7.8134 7.8134 8.1947 8.1947 9.3649 9.3649 10.8900 10.8900 11.1540 11.1540 11.2024 11.2024 11.2739 11.2739 k =-0.3095 0.0783 0.0000 ( 4264 PWs) bands (ev): -2.8820 -2.8820 -1.9903 -1.9903 1.7178 1.7178 5.2133 5.2133 5.4451 5.4451 6.7703 6.7703 6.9896 6.9896 7.3391 7.3391 7.5206 7.5206 7.8351 7.8351 8.2367 8.2367 9.3948 9.3948 10.8863 10.8863 11.1034 11.1034 11.2120 11.2120 11.2778 11.2778 k =-0.3333 0.0843 0.0000 ( 4264 PWs) bands (ev): -2.8480 -2.8480 -2.0476 -2.0476 1.7882 1.7882 5.1122 5.1122 5.4493 5.4493 6.7637 6.7637 7.0000 7.0000 7.3335 7.3335 7.5066 7.5066 7.8556 7.8556 8.2665 8.2665 9.4341 9.4341 10.8829 10.8829 11.0561 11.0561 11.2213 11.2213 11.2824 11.2824 k =-0.3571 0.0904 0.0000 ( 4264 PWs) bands (ev): -2.8126 -2.8126 -2.1038 -2.1038 1.8544 1.8544 5.0197 5.0197 5.4533 5.4533 6.7577 6.7577 7.0103 7.0103 7.3287 7.3287 7.4930 7.4930 7.8744 7.8744 8.2859 8.2859 9.4799 9.4799 10.8799 10.8799 11.0136 11.0136 11.2299 11.2299 11.2872 11.2872 k =-0.3810 0.0964 0.0000 ( 4266 PWs) bands (ev): -2.7764 -2.7764 -2.1581 -2.1581 1.9148 1.9148 4.9373 4.9373 5.4568 5.4568 6.7524 6.7524 7.0200 7.0200 7.3246 7.3246 7.4805 7.4805 7.8911 7.8911 8.2974 8.2974 9.5287 9.5287 10.8772 10.8772 10.9766 10.9766 11.2374 11.2375 11.2918 11.2918 k =-0.4048 0.1024 0.0000 ( 4268 PWs) bands (ev): -2.7403 -2.7403 -2.2093 -2.2093 1.9676 1.9676 4.8666 4.8666 5.4599 5.4599 6.7480 6.7480 7.0287 7.0287 7.3213 7.3213 7.4693 7.4693 7.9054 7.9054 8.3033 8.3033 9.5763 9.5763 10.8750 10.8750 10.9456 10.9456 11.2439 11.2439 11.2960 11.2960 k =-0.4286 0.1084 0.0000 ( 4258 PWs) bands (ev): -2.7058 -2.7058 -2.2557 -2.2557 2.0111 2.0111 4.8094 4.8094 5.4624 5.4624 6.7444 6.7444 7.0361 7.0361 7.3189 7.3189 7.4599 7.4599 7.9168 7.9168 8.3056 8.3056 9.6189 9.6189 10.8732 10.8732 10.9211 10.9211 11.2489 11.2489 11.2996 11.2996 k =-0.4524 0.1145 0.0000 ( 4254 PWs) bands (ev): -2.6756 -2.6756 -2.2945 -2.2945 2.0435 2.0435 4.7672 4.7672 5.4642 5.4642 6.7418 6.7418 7.0417 7.0417 7.3172 7.3172 7.4529 7.4529 7.9252 7.9252 8.3061 8.3061 9.6524 9.6524 10.8719 10.8719 10.9033 10.9033 11.2526 11.2526 11.3024 11.3024 k =-0.4762 0.1205 0.0000 ( 4248 PWs) bands (ev): -2.6539 -2.6539 -2.3214 -2.3214 2.0636 2.0636 4.7413 4.7413 5.4653 5.4653 6.7403 6.7403 7.0452 7.0452 7.3162 7.3162 7.4484 7.4484 7.9303 7.9303 8.3059 8.3059 9.6740 9.6740 10.8712 10.8712 10.8925 10.8925 11.2549 11.2549 11.3041 11.3041 k =-0.5000 0.1265 0.0000 ( 4248 PWs) bands (ev): -2.6458 -2.6458 -2.3312 -2.3312 2.0704 2.0704 4.7326 4.7326 5.4656 5.4656 6.7397 6.7397 7.0464 7.0464 7.3158 7.3158 7.4469 7.4469 7.9320 7.9320 8.3058 8.3058 9.6814 9.6814 10.8709 10.8709 10.8889 10.8889 11.2556 11.2556 11.3047 11.3047 k =-0.5000 0.1265 0.0000 ( 4248 PWs) bands (ev): -2.6458 -2.6458 -2.3312 -2.3312 2.0704 2.0704 4.7326 4.7326 5.4656 5.4656 6.7397 6.7397 7.0464 7.0464 7.3158 7.3158 7.4469 7.4469 7.9320 7.9320 8.3058 8.3058 9.6814 9.6814 10.8709 10.8709 10.8889 10.8889 11.2556 11.2556 11.3047 11.3047 k =-0.4940 0.1502-0.0000 ( 4252 PWs) bands (ev): -2.6444 -2.6444 -2.3301 -2.3301 2.0718 2.0718 4.7322 4.7322 5.4497 5.4497 6.7492 6.7492 7.0479 7.0479 7.3162 7.3162 7.4458 7.4458 7.9141 7.9141 8.3252 8.3252 9.6870 9.6870 10.8540 10.8540 10.8822 10.8822 11.2559 11.2559 11.3047 11.3047 k =-0.4880 0.1739-0.0000 ( 4256 PWs) bands (ev): -2.6399 -2.6399 -2.3268 -2.3268 2.0762 2.0762 4.7311 4.7311 5.4034 5.4034 6.7756 6.7756 7.0523 7.0523 7.3171 7.3171 7.4423 7.4423 7.8692 7.8692 8.3749 8.3749 9.7038 9.7038 10.8120 10.8120 10.8607 10.8607 11.2178 11.2178 11.3415 11.3415 k =-0.4820 0.1977-0.0000 ( 4262 PWs) bands (ev): -2.6325 -2.6325 -2.3213 -2.3213 2.0834 2.0834 4.7292 4.7292 5.3312 5.3312 6.8141 6.8141 7.0596 7.0596 7.3185 7.3185 7.4365 7.4365 7.8115 7.8115 8.4415 8.4415 9.7315 9.7315 10.7569 10.7569 10.8252 10.8252 11.1492 11.1492 11.4047 11.4047 k =-0.4760 0.2214-0.0000 ( 4276 PWs) bands (ev): -2.6222 -2.6222 -2.3135 -2.3135 2.0935 2.0935 4.7264 4.7264 5.2384 5.2384 6.8584 6.8584 7.0697 7.0697 7.3202 7.3202 7.4284 7.4284 7.7511 7.7511 8.5168 8.5168 9.7697 9.7697 10.6964 10.6964 10.7778 10.7778 11.0661 11.0661 11.4765 11.4765 k =-0.4700 0.2451-0.0000 ( 4268 PWs) bands (ev): -2.6089 -2.6089 -2.3036 -2.3036 2.1065 2.1065 4.7222 4.7222 5.1299 5.1299 6.9021 6.9021 7.0823 7.0823 7.3219 7.3219 7.4180 7.4180 7.6944 7.6944 8.5968 8.5968 9.8180 9.8180 10.6346 10.6346 10.7208 10.7208 10.9753 10.9753 11.5105 11.5105 k =-0.4640 0.2688-0.0000 ( 4272 PWs) bands (ev): -2.5926 -2.5926 -2.2916 -2.2916 2.1224 2.1224 4.7161 4.7161 5.0100 5.0100 6.9394 6.9394 7.0964 7.0964 7.3234 7.3234 7.4055 7.4055 7.6474 7.6474 8.6798 8.6798 9.8756 9.8756 10.5734 10.5734 10.6560 10.6560 10.8805 10.8805 11.4167 11.4168 k =-0.4580 0.2925-0.0000 ( 4276 PWs) bands (ev): -2.5734 -2.5734 -2.2775 -2.2775 2.1410 2.1410 4.7055 4.7055 4.8842 4.8842 6.9650 6.9650 7.1108 7.1108 7.3240 7.3240 7.3910 7.3910 7.6154 7.6154 8.7648 8.7648 9.9418 9.9418 10.5141 10.5141 10.5856 10.5856 10.7840 10.7840 11.3045 11.3045 k =-0.4520 0.3162-0.0000 ( 4276 PWs) bands (ev): -2.5513 -2.5513 -2.2613 -2.2613 2.1625 2.1625 4.6746 4.6746 4.7701 4.7701 6.9741 6.9741 7.1251 7.1251 7.3231 7.3231 7.3748 7.3748 7.6028 7.6028 8.8512 8.8512 10.0157 10.0157 10.4569 10.4569 10.5115 10.5115 10.6872 10.6872 11.1898 11.1898 k =-0.4460 0.3399-0.0000 ( 4280 PWs) bands (ev): -2.5262 -2.5262 -2.2431 -2.2431 2.1867 2.1867 4.5717 4.5717 4.7211 4.7211 6.9638 6.9638 7.1413 7.1413 7.3197 7.3197 7.3575 7.3575 7.6104 7.6104 8.9389 8.9389 10.0963 10.0963 10.4006 10.4006 10.4372 10.4372 10.5912 10.5912 11.0753 11.0753 k =-0.4400 0.3636-0.0000 ( 4284 PWs) bands (ev): -2.4982 -2.4982 -2.2230 -2.2230 2.2136 2.2136 4.4312 4.4312 4.7037 4.7037 6.9358 6.9358 7.1609 7.1609 7.3117 7.3117 7.3410 7.3410 7.6348 7.6348 9.0276 9.0276 10.1817 10.1817 10.3376 10.3376 10.3721 10.3721 10.4972 10.4972 10.9628 10.9628 k =-0.4340 0.3873-0.0000 ( 4284 PWs) bands (ev): -2.4673 -2.4673 -2.2010 -2.2010 2.2432 2.2432 4.2822 4.2822 4.6897 4.6897 6.8951 6.8951 7.1837 7.1837 7.2965 7.2965 7.3272 7.3272 7.6712 7.6712 9.1173 9.1173 10.2581 10.2581 10.2660 10.2661 10.3302 10.3302 10.4079 10.4079 10.8535 10.8535 k =-0.4280 0.4110-0.0000 ( 4290 PWs) bands (ev): -2.4335 -2.4335 -2.1772 -2.1772 2.2753 2.2753 4.1292 4.1292 4.6750 4.6750 6.8472 6.8472 7.2083 7.2083 7.2756 7.2756 7.3153 7.3153 7.7150 7.7150 9.2077 9.2077 10.1837 10.1837 10.2591 10.2591 10.3094 10.3094 10.3944 10.3944 10.7489 10.7489 k =-0.4220 0.4348-0.0000 ( 4288 PWs) bands (ev): -2.3967 -2.3967 -2.1517 -2.1517 2.3100 2.3100 3.9738 3.9738 4.6587 4.6587 6.7964 6.7964 7.2284 7.2284 7.2548 7.2548 7.3042 7.3042 7.7631 7.7631 9.2988 9.2988 10.1049 10.1049 10.2051 10.2051 10.2439 10.2439 10.4875 10.4875 10.6508 10.6508 k =-0.4160 0.4585-0.0000 ( 4280 PWs) bands (ev): -2.3571 -2.3571 -2.1245 -2.1245 2.3471 2.3471 3.8167 3.8167 4.6402 4.6402 6.7453 6.7453 7.2160 7.2160 7.2530 7.2530 7.3025 7.3025 7.8137 7.8137 9.3903 9.3903 10.0273 10.0273 10.1277 10.1277 10.2022 10.2022 10.5484 10.5484 10.6016 10.6016 k =-0.4100 0.4822-0.0000 ( 4288 PWs) bands (ev): -2.3145 -2.3145 -2.0958 -2.0958 2.3866 2.3866 3.6586 3.6586 4.6193 4.6193 6.6959 6.6959 7.1875 7.1875 7.2394 7.2394 7.3236 7.3236 7.8655 7.8655 9.4818 9.4818 9.9518 9.9518 10.0472 10.0472 10.1691 10.1691 10.4704 10.4704 10.7034 10.7034 k =-0.4040 0.5059-0.0000 ( 4284 PWs) bands (ev): -2.2691 -2.2691 -2.0657 -2.0657 2.4284 2.4284 3.4999 3.4999 4.5957 4.5957 6.6495 6.6495 7.1557 7.1557 7.2121 7.2121 7.3559 7.3559 7.9179 7.9179 9.5716 9.5716 9.8797 9.8797 9.9690 9.9690 10.1401 10.1401 10.3964 10.3964 10.8130 10.8130 k =-0.3980 0.5296-0.0000 ( 4288 PWs) bands (ev): -2.2208 -2.2208 -2.0344 -2.0344 2.4724 2.4724 3.3409 3.3409 4.5695 4.5695 6.6070 6.6070 7.1214 7.1214 7.1771 7.1771 7.3924 7.3924 7.9705 7.9705 9.6531 9.6531 9.8172 9.8172 9.8944 9.8944 10.1143 10.1143 10.3328 10.3328 10.9246 10.9246 k =-0.3920 0.5533-0.0000 ( 4288 PWs) bands (ev): -2.1696 -2.1696 -2.0018 -2.0018 2.5183 2.5183 3.1820 3.1820 4.5407 4.5407 6.5689 6.5689 7.0836 7.0836 7.1368 7.1368 7.4314 7.4314 8.0230 8.0230 9.6812 9.6812 9.7982 9.7982 9.8342 9.8342 10.0913 10.0913 10.2811 10.2811 11.0367 11.0367 k =-0.3860 0.5770-0.0000 ( 4288 PWs) bands (ev): -2.1156 -2.1156 -1.9682 -1.9682 2.5662 2.5662 3.0234 3.0234 4.5093 4.5093 6.5357 6.5357 7.0402 7.0402 7.0942 7.0942 7.4722 7.4722 8.0755 8.0755 9.6310 9.6310 9.7478 9.7478 9.8882 9.8882 10.0710 10.0710 10.2421 10.2421 11.1484 11.1484 k =-0.3800 0.6007-0.0000 ( 4294 PWs) bands (ev): -2.0588 -2.0588 -1.9337 -1.9337 2.6158 2.6158 2.8656 2.8656 4.4755 4.4755 6.5076 6.5076 6.9880 6.9880 7.0527 7.0527 7.5144 7.5144 8.1278 8.1278 9.5637 9.5637 9.6842 9.6842 9.9749 9.9749 10.0551 10.0551 10.2163 10.2163 11.2583 11.2583 k =-0.3740 0.6244-0.0000 ( 4290 PWs) bands (ev): -1.9992 -1.9992 -1.8985 -1.8985 2.6660 2.6660 2.7093 2.7093 4.4397 4.4397 6.4845 6.4845 6.9263 6.9263 7.0141 7.0141 7.5578 7.5578 8.1799 8.1799 9.4930 9.4930 9.6243 9.6243 10.0227 10.0227 10.0839 10.0839 10.2038 10.2038 11.3644 11.3644 k =-0.3680 0.6482-0.0000 ( 4294 PWs) bands (ev): -1.9368 -1.9368 -1.8628 -1.8628 2.5517 2.5517 2.7200 2.7200 4.4021 4.4021 6.4665 6.4665 6.8564 6.8564 6.9777 6.9777 7.6020 7.6020 8.2318 8.2318 9.4213 9.4213 9.5690 9.5690 10.0111 10.0111 10.1702 10.1702 10.2083 10.2083 11.4638 11.4638 k =-0.3620 0.6719-0.0000 ( 4290 PWs) bands (ev): -1.8716 -1.8716 -1.8265 -1.8265 2.3969 2.3969 2.7734 2.7734 4.3632 4.3632 6.4534 6.4534 6.7802 6.7802 6.9428 6.9428 7.6468 7.6468 8.2836 8.2836 9.3493 9.3493 9.5190 9.5190 9.9952 9.9952 10.2071 10.2071 10.2793 10.2793 11.5513 11.5513 k =-0.3560 0.6956-0.0000 ( 4290 PWs) bands (ev): -1.8045 -1.8045 -1.7894 -1.7894 2.2432 2.2432 2.8279 2.8279 4.3234 4.3234 6.4450 6.4450 6.6992 6.6992 6.9090 6.9090 7.6918 7.6918 8.3352 8.3352 9.2775 9.2775 9.4748 9.4748 9.9782 9.9782 10.2291 10.2291 10.3768 10.3768 11.6184 11.6184 k =-0.3500 0.7193-0.0000 ( 4286 PWs) bands (ev): -1.7554 -1.7554 -1.7314 -1.7314 2.0911 2.0911 2.8828 2.8828 4.2832 4.2832 6.4409 6.4409 6.6147 6.6147 6.8764 6.8764 7.7366 7.7366 8.3866 8.3866 9.2064 9.2064 9.4367 9.4367 9.9600 9.9600 10.2588 10.2588 10.4764 10.4764 11.6534 11.6534 k =-0.3440 0.7430-0.0000 ( 4290 PWs) bands (ev): -1.7191 -1.7191 -1.6583 -1.6583 1.9406 1.9406 2.9378 2.9378 4.2432 4.2432 6.4407 6.4407 6.5280 6.5280 6.8450 6.8450 7.7809 7.7809 8.4377 8.4377 9.1361 9.1361 9.4052 9.4052 9.9400 9.9400 10.2959 10.2959 10.5765 10.5765 11.6489 11.6489 k =-0.3380 0.7667-0.0000 ( 4294 PWs) bands (ev): -1.6836 -1.6836 -1.5821 -1.5821 1.7919 1.7919 2.9924 2.9924 4.2037 4.2037 6.4336 6.4336 6.4509 6.4509 6.8147 6.8147 7.8243 7.8243 8.4885 8.4885 9.0670 9.0670 9.3804 9.3804 9.9176 9.9176 10.3394 10.3394 10.6765 10.6765 11.6102 11.6102 k =-0.3320 0.7904-0.0000 ( 4296 PWs) bands (ev): -1.6489 -1.6489 -1.5031 -1.5031 1.6452 1.6452 3.0462 3.0462 4.1654 4.1654 6.3504 6.3504 6.4535 6.4535 6.7859 6.7859 7.8663 7.8663 8.5387 8.5387 8.9992 8.9992 9.3630 9.3630 9.8922 9.8922 10.3880 10.3880 10.7755 10.7755 11.5500 11.5500 k =-0.3260 0.8141-0.0000 ( 4298 PWs) bands (ev): -1.6153 -1.6153 -1.4213 -1.4213 1.5005 1.5005 3.0985 3.0985 4.1288 4.1288 6.2639 6.2639 6.4638 6.4638 6.7586 6.7586 7.9066 7.9066 8.5884 8.5884 8.9329 8.9329 9.3530 9.3530 9.8631 9.8631 10.4404 10.4404 10.8723 10.8723 11.4797 11.4797 k =-0.3200 0.8378-0.0000 ( 4304 PWs) bands (ev): -1.5830 -1.5830 -1.3369 -1.3369 1.3580 1.3580 3.1487 3.1487 4.0943 4.0943 6.1798 6.1798 6.4770 6.4770 6.7329 6.7329 7.9448 7.9448 8.6371 8.6371 8.8682 8.8682 9.3509 9.3509 9.8298 9.8298 10.4953 10.4953 10.9638 10.9638 11.4083 11.4083 k =-0.3140 0.8616-0.0000 ( 4304 PWs) bands (ev): -1.5522 -1.5522 -1.2497 -1.2497 1.2179 1.2179 3.1958 3.1958 4.0623 4.0623 6.0994 6.0994 6.4928 6.4928 6.7091 6.7091 7.9807 7.9807 8.6845 8.6845 8.8054 8.8054 9.3568 9.3568 9.7919 9.7919 10.5513 10.5513 11.0421 11.0421 11.3472 11.3472 k =-0.3080 0.8853-0.0000 ( 4300 PWs) bands (ev): -1.5234 -1.5234 -1.1599 -1.1599 1.0804 1.0804 3.2390 3.2390 4.0335 4.0335 6.0242 6.0242 6.5107 6.5107 6.6874 6.6874 8.0141 8.0141 8.7249 8.7249 8.7497 8.7497 9.3707 9.3707 9.7490 9.7490 10.6069 10.6069 11.0841 11.0841 11.3216 11.3216 k =-0.3020 0.9090-0.0000 ( 4288 PWs) bands (ev): -1.4967 -1.4967 -1.0675 -1.0675 0.9455 0.9455 3.2774 3.2774 4.0080 4.0080 5.9554 5.9554 6.5300 6.5300 6.6683 6.6683 8.0450 8.0450 8.6813 8.6813 8.7778 8.7778 9.3926 9.3926 9.7011 9.7011 10.6607 10.6607 11.0657 11.0657 11.3564 11.3564 k =-0.2960 0.9327-0.0000 ( 4280 PWs) bands (ev): -1.4725 -1.4725 -0.9725 -0.9725 0.8134 0.8134 3.3097 3.3097 3.9865 3.9865 5.8945 5.8945 6.5499 6.5499 6.6524 6.6524 8.0735 8.0735 8.6235 8.6235 8.8194 8.8194 9.4222 9.4222 9.6479 9.6479 10.7110 10.7110 11.0129 11.0129 11.4267 11.4267 k =-0.2900 0.9564-0.0000 ( 4280 PWs) bands (ev): -1.4512 -1.4512 -0.8749 -0.8749 0.6844 0.6844 3.3351 3.3351 3.9691 3.9691 5.8429 5.8429 6.5683 6.5683 6.6418 6.6418 8.0999 8.0999 8.5668 8.5668 8.8584 8.8584 9.4590 9.4590 9.5899 9.5899 10.7565 10.7565 10.9519 10.9519 11.5065 11.5065 k =-0.2840 0.9801-0.0000 ( 4290 PWs) bands (ev): -1.4330 -1.4330 -0.7747 -0.7747 0.5587 0.5587 3.3523 3.3523 3.9563 3.9563 5.8018 5.8018 6.5802 6.5802 6.6412 6.6412 8.1244 8.1244 8.5115 8.5115 8.8938 8.8938 9.5012 9.5012 9.5284 9.5284 10.7955 10.7955 10.8923 10.8923 11.5869 11.5869 k =-0.2780 1.0038-0.0000 ( 4284 PWs) bands (ev): -1.4184 -1.4184 -0.6720 -0.6720 0.4364 0.4364 3.3606 3.3606 3.9483 3.9483 5.7722 5.7722 6.5816 6.5816 6.6546 6.6546 8.1475 8.1475 8.4576 8.4576 8.9247 8.9247 9.4585 9.4585 9.5537 9.5537 10.8263 10.8263 10.8382 10.8382 11.6640 11.6640 k =-0.2720 1.0275-0.0000 ( 4284 PWs) bands (ev): -1.4076 -1.4076 -0.5668 -0.5668 0.3178 0.3178 3.3593 3.3593 3.9454 3.9454 5.7551 5.7551 6.5773 6.5773 6.6770 6.6770 8.1697 8.1697 8.4052 8.4052 8.9502 8.9502 9.3874 9.3874 9.6090 9.6090 10.7908 10.7908 10.8489 10.8489 11.7359 11.7359 k =-0.2660 1.0512-0.0000 ( 4276 PWs) bands (ev): -1.4011 -1.4011 -0.4592 -0.4592 0.2032 0.2032 3.3480 3.3480 3.9478 3.9478 5.7507 5.7507 6.5722 6.5722 6.7034 6.7034 8.1911 8.1911 8.3544 8.3544 8.9694 8.9694 9.3126 9.3126 9.6694 9.6694 10.7529 10.7529 10.8609 10.8609 11.8008 11.8008 k =-0.2660 1.0512-0.0000 ( 4276 PWs) bands (ev): -1.4011 -1.4011 -0.4592 -0.4592 0.2032 0.2032 3.3480 3.3480 3.9478 3.9478 5.7507 5.7507 6.5722 6.5722 6.7034 6.7034 8.1911 8.1911 8.3544 8.3544 8.9694 8.9694 9.3126 9.3126 9.6694 9.6694 10.7529 10.7529 10.8609 10.8609 11.8008 11.8008 k =-0.2660 1.0512 0.0244 ( 4281 PWs) bands (ev): -1.4000 -1.4000 -0.4579 -0.4579 0.2045 0.2045 3.3455 3.3455 3.9496 3.9496 5.7523 5.7523 6.5703 6.5703 6.7012 6.7012 8.1816 8.1816 8.3525 8.3525 8.9630 8.9630 9.3017 9.3017 9.6775 9.6775 10.7581 10.7581 10.8629 10.8629 11.8006 11.8006 k =-0.2660 1.0512 0.0489 ( 4282 PWs) bands (ev): -1.3967 -1.3967 -0.4540 -0.4540 0.2086 0.2086 3.3382 3.3382 3.9549 3.9549 5.7572 5.7572 6.5647 6.5647 6.6945 6.6945 8.1537 8.1537 8.3469 8.3469 8.9444 8.9444 9.2695 9.2695 9.7007 9.7007 10.7734 10.7734 10.8686 10.8686 11.7543 11.7543 k =-0.2660 1.0512 0.0733 ( 4288 PWs) bands (ev): -1.3912 -1.3912 -0.4476 -0.4476 0.2153 0.2153 3.3259 3.3259 3.9638 3.9638 5.7653 5.7653 6.5554 6.5554 6.6832 6.6832 8.1093 8.1093 8.3375 8.3375 8.9147 8.9147 9.2172 9.2172 9.7367 9.7367 10.7982 10.7982 10.8780 10.8780 11.6792 11.6792 k =-0.2660 1.0512 0.0978 ( 4292 PWs) bands (ev): -1.3834 -1.3834 -0.4386 -0.4386 0.2246 0.2246 3.3087 3.3087 3.9763 3.9763 5.7765 5.7765 6.5428 6.5428 6.6671 6.6671 8.0514 8.0514 8.3242 8.3242 8.8755 8.8755 9.1466 9.1466 9.7824 9.7824 10.8314 10.8314 10.8907 10.8907 11.6110 11.6110 k =-0.2660 1.0512 0.1222 ( 4288 PWs) bands (ev): -1.3735 -1.3735 -0.4271 -0.4271 0.2366 0.2366 3.2868 3.2868 3.9922 3.9922 5.7908 5.7908 6.5271 6.5271 6.6458 6.6458 7.9830 7.9830 8.3065 8.3065 8.8282 8.8282 9.0600 9.0600 9.8350 9.8350 10.8708 10.8708 10.9073 10.9073 11.5523 11.5523 k =-0.2660 1.0512 0.1467 ( 4292 PWs) bands (ev): -1.3613 -1.3613 -0.4130 -0.4130 0.2513 0.2513 3.2600 3.2600 4.0117 4.0117 5.8081 5.8081 6.5085 6.5085 6.6190 6.6190 7.9072 7.9072 8.2840 8.2840 8.7742 8.7742 8.9602 8.9602 9.8920 9.8920 10.9071 10.9071 10.9351 10.9351 11.5041 11.5041 k =-0.2660 1.0512 0.1711 ( 4292 PWs) bands (ev): -1.3470 -1.3470 -0.3964 -0.3964 0.2685 0.2685 3.2285 3.2285 4.0346 4.0346 5.8281 5.8281 6.4874 6.4874 6.5863 6.5863 7.8269 7.8269 8.2559 8.2559 8.7148 8.7148 8.8502 8.8502 9.9515 9.9515 10.9295 10.9295 10.9833 10.9833 11.4664 11.4664 k =-0.2660 1.0512 0.1956 ( 4288 PWs) bands (ev): -1.3304 -1.3304 -0.3773 -0.3773 0.2884 0.2884 3.1923 3.1923 4.0609 4.0609 5.8507 5.8507 6.4635 6.4635 6.5478 6.5478 7.7447 7.7447 8.2205 8.2205 8.6511 8.6511 8.7340 8.7340 10.0122 10.0122 10.9473 10.9473 11.0408 11.0408 11.4390 11.4390 k =-0.2660 1.0512 0.2200 ( 4286 PWs) bands (ev): -1.3117 -1.3117 -0.3557 -0.3557 0.3108 0.3108 3.1516 3.1516 4.0905 4.0905 5.8757 5.8757 6.4360 6.4360 6.5043 6.5043 7.6628 7.6628 8.1753 8.1753 8.5836 8.5836 8.6165 8.6165 10.0732 10.0732 10.9636 10.9636 11.1031 11.1031 11.4213 11.4213 k =-0.2660 1.0512 0.2445 ( 4292 PWs) bands (ev): -1.2908 -1.2908 -0.3316 -0.3316 0.3357 0.3357 3.1065 3.1065 4.1233 4.1233 5.9025 5.9025 6.4006 6.4006 6.4602 6.4602 7.5831 7.5831 8.1159 8.1159 8.4992 8.4992 8.5182 8.5182 10.1339 10.1339 10.9790 10.9790 11.1687 11.1687 11.4124 11.4124 k =-0.2660 1.0512 0.2689 ( 4293 PWs) bands (ev): -1.2677 -1.2677 -0.3051 -0.3051 0.3631 0.3631 3.0570 3.0570 4.1594 4.1594 5.9307 5.9307 6.3496 6.3496 6.4233 6.4233 7.5072 7.5072 8.0372 8.0372 8.3987 8.3987 8.4461 8.4461 10.1941 10.1941 10.9935 10.9935 11.2365 11.2365 11.4111 11.4111 k =-0.2660 1.0512 0.2934 ( 4294 PWs) bands (ev): -1.2425 -1.2425 -0.2762 -0.2762 0.3930 0.3930 3.0035 3.0035 4.1985 4.1985 5.9597 5.9597 6.2824 6.2824 6.3951 6.3951 7.4359 7.4359 7.9358 7.9358 8.3131 8.3131 8.3747 8.3747 10.2536 10.2536 11.0078 11.0078 11.3057 11.3057 11.4162 11.4162 k =-0.2660 1.0512 0.3178 ( 4296 PWs) bands (ev): -1.2151 -1.2151 -0.2450 -0.2450 0.4252 0.4252 2.9460 2.9460 4.2406 4.2406 5.9882 5.9882 6.2035 6.2035 6.3725 6.3725 7.3698 7.3698 7.8146 7.8146 8.2424 8.2424 8.3034 8.3034 10.3124 10.3124 11.0223 11.0223 11.3751 11.3751 11.4268 11.4268 k =-0.2660 1.0512 0.3423 ( 4294 PWs) bands (ev): -1.1855 -1.1855 -0.2114 -0.2114 0.4597 0.4597 2.8848 2.8848 4.2855 4.2855 6.0147 6.0147 6.1158 6.1158 6.3545 6.3545 7.3089 7.3089 7.6799 7.6799 8.1815 8.1815 8.2331 8.2331 10.3709 10.3709 11.0378 11.0378 11.4311 11.4311 11.4544 11.4544 k =-0.2660 1.0512 0.3667 ( 4302 PWs) bands (ev): -1.1539 -1.1539 -0.1755 -0.1755 0.4965 0.4965 2.8201 2.8201 4.3332 4.3332 6.0136 6.0136 6.0448 6.0448 6.3419 6.3419 7.2526 7.2526 7.5376 7.5376 8.1256 8.1256 8.1647 8.1647 10.4291 10.4291 11.0547 11.0547 11.4507 11.4507 11.5201 11.5201 k =-0.2660 1.0512 0.3912 ( 4306 PWs) bands (ev): -1.1201 -1.1201 -0.1373 -0.1373 0.5355 0.5355 2.7521 2.7521 4.3833 4.3833 5.9160 5.9160 6.0584 6.0584 6.3361 6.3361 7.2001 7.2001 7.3927 7.3927 8.0703 8.0703 8.1004 8.1004 10.4874 10.4874 11.0736 11.0736 11.4675 11.4675 11.5890 11.5890 k =-0.2660 1.0512 0.4156 ( 4304 PWs) bands (ev): -1.0842 -1.0842 -0.0970 -0.0970 0.5765 0.5765 2.6811 2.6811 4.4357 4.4357 5.8099 5.8099 6.0678 6.0678 6.3380 6.3380 7.1481 7.1481 7.2507 7.2507 8.0118 8.0118 8.0429 8.0429 10.5459 10.5459 11.0945 11.0945 11.4844 11.4844 11.6565 11.6565 k =-0.2660 1.0512 0.4401 ( 4304 PWs) bands (ev): -1.0462 -1.0462 -0.0547 -0.0547 0.6195 0.6195 2.6073 2.6073 4.4901 4.4901 5.7004 5.7004 6.0682 6.0682 6.3469 6.3469 7.0738 7.0738 7.1369 7.1369 7.9506 7.9506 7.9914 7.9914 10.6050 10.6050 11.1178 11.1178 11.5012 11.5012 11.7217 11.7217 k =-0.2660 1.0512 0.4645 ( 4301 PWs) bands (ev): -1.0062 -1.0062 -0.0102 -0.0102 0.6644 0.6644 2.5311 2.5311 4.5459 4.5459 5.5890 5.5890 6.0596 6.0596 6.3595 6.3595 6.9513 6.9513 7.0804 7.0804 7.8898 7.8898 7.9430 7.9430 10.6648 10.6648 11.1434 11.1434 11.5178 11.5178 11.7836 11.7836 k =-0.2660 1.0512 0.4890 ( 4299 PWs) bands (ev): -0.9641 -0.9641 0.0361 0.0361 0.7110 0.7110 2.4527 2.4527 4.6025 4.6025 5.4773 5.4773 6.0423 6.0423 6.3693 6.3693 6.8296 6.8296 7.0380 7.0380 7.8310 7.8310 7.8963 7.8963 10.7255 10.7255 11.1710 11.1710 11.5344 11.5344 11.8413 11.8413 k =-0.2660 1.0512 0.5134 ( 4307 PWs) bands (ev): -0.9200 -0.9200 0.0842 0.0842 0.7591 0.7591 2.3724 2.3724 4.6585 4.6585 5.3673 5.3673 6.0156 6.0156 6.3659 6.3659 6.7301 6.7301 6.9989 6.9989 7.7751 7.7751 7.8512 7.8512 10.7873 10.7873 11.2005 11.2005 11.5511 11.5511 11.8941 11.8941 k =-0.2660 1.0512 0.5379 ( 4305 PWs) bands (ev): -0.8739 -0.8739 0.1341 0.1341 0.8085 0.8085 2.2906 2.2906 4.7114 4.7114 5.2625 5.2625 5.9765 5.9765 6.3377 6.3377 6.6685 6.6685 6.9614 6.9614 7.7226 7.7226 7.8076 7.8076 10.8504 10.8504 11.2313 11.2313 11.5687 11.5687 11.9418 11.9418 k =-0.2660 1.0512 0.5623 ( 4301 PWs) bands (ev): -0.8258 -0.8258 0.1854 0.1854 0.8591 0.8591 2.2074 2.2074 4.7548 4.7548 5.1695 5.1695 5.9200 5.9200 6.2874 6.2874 6.6471 6.6471 6.9249 6.9249 7.6736 7.6736 7.7658 7.7658 10.9147 10.9147 11.2628 11.2628 11.5880 11.5880 11.9847 11.9847 k =-0.2660 1.0512 0.5868 ( 4309 PWs) bands (ev): -0.7757 -0.7757 0.2382 0.2382 0.9106 0.9106 2.1233 2.1233 4.7741 4.7741 5.1036 5.1036 5.8417 5.8417 6.2347 6.2347 6.6503 6.6503 6.8891 6.8891 7.6286 7.6286 7.7262 7.7262 10.9803 10.9803 11.2941 11.2941 11.6100 11.6100 12.0233 12.0233 k =-0.2660 1.0512 0.6112 ( 4309 PWs) bands (ev): -0.7237 -0.7237 0.2920 0.2920 0.9627 0.9627 2.0386 2.0386 4.7489 4.7489 5.0857 5.0857 5.7427 5.7427 6.1924 6.1924 6.6636 6.6636 6.8537 6.8537 7.5876 7.5876 7.6893 7.6893 11.0471 11.0471 11.3245 11.3245 11.6359 11.6359 12.0583 12.0583 k =-0.2660 1.0512 0.6357 ( 4299 PWs) bands (ev): -0.6699 -0.6699 0.3467 0.3467 1.0151 1.0151 1.9537 1.9537 4.6825 4.6825 5.1130 5.1130 5.6289 5.6289 6.1619 6.1619 6.6790 6.6790 6.8189 6.8189 7.5508 7.5508 7.6553 7.6553 11.1152 11.1152 11.3531 11.3531 11.6669 11.6669 12.0905 12.0905 k =-0.2660 1.0512 0.6601 ( 4296 PWs) bands (ev): -0.6141 -0.6141 0.4018 0.4018 1.0673 1.0673 1.8690 1.8690 4.5967 4.5967 5.1639 5.1639 5.5066 5.5066 6.1404 6.1404 6.6919 6.6919 6.7853 6.7853 7.5182 7.5182 7.6248 7.6248 11.1844 11.1844 11.3796 11.3796 11.7038 11.7038 12.1205 12.1205 k =-0.2660 1.0512 0.6846 ( 4300 PWs) bands (ev): -0.5565 -0.5565 0.4569 0.4569 1.1189 1.1189 1.7850 1.7850 4.5053 4.5053 5.2252 5.2252 5.3805 5.3805 6.1253 6.1253 6.6979 6.6979 6.7547 6.7547 7.4898 7.4898 7.5980 7.5980 11.2543 11.2543 11.4040 11.4040 11.7471 11.7471 12.1487 12.1487 k =-0.2660 1.0512 0.7090 ( 4304 PWs) bands (ev): -0.4972 -0.4972 0.5114 0.5114 1.1694 1.1694 1.7023 1.7023 4.4142 4.4142 5.2518 5.2518 5.2929 5.2929 6.1146 6.1146 6.6896 6.6896 6.7337 6.7337 7.4655 7.4655 7.5751 7.5751 11.3247 11.3247 11.4271 11.4271 11.7966 11.7966 12.1753 12.1753 k =-0.2660 1.0512 0.7335 ( 4310 PWs) bands (ev): -0.4361 -0.4361 0.5644 0.5644 1.2181 1.2181 1.6217 1.6217 4.3264 4.3264 5.1261 5.1261 5.3610 5.3610 6.1073 6.1073 6.6649 6.6649 6.7237 6.7237 7.4453 7.4453 7.5559 7.5559 11.3945 11.3945 11.4502 11.4502 11.8517 11.8517 12.2005 12.2005 k =-0.2660 1.0512 0.7579 ( 4318 PWs) bands (ev): -0.3733 -0.3733 0.6146 0.6146 1.2644 1.2644 1.5445 1.5445 4.2437 4.2437 5.0017 5.0017 5.4311 5.4311 6.1027 6.1027 6.6344 6.6344 6.7140 6.7140 7.4289 7.4289 7.5401 7.5401 11.4573 11.4573 11.4801 11.4801 11.9120 11.9120 12.2246 12.2246 k =-0.2660 1.0512 0.7824 ( 4318 PWs) bands (ev): -0.3089 -0.3089 0.6601 0.6601 1.3075 1.3075 1.4724 1.4724 4.1675 4.1675 4.8802 4.8802 5.5016 5.5016 6.1003 6.1003 6.6029 6.6029 6.7001 6.7001 7.4162 7.4162 7.5272 7.5272 11.4904 11.4904 11.5399 11.5399 11.9765 11.9765 12.2476 12.2476 k =-0.2660 1.0512 0.8068 ( 4321 PWs) bands (ev): -0.2430 -0.2430 0.6984 0.6984 1.3466 1.3466 1.4078 1.4078 4.0993 4.0993 4.7625 4.7625 5.5716 5.5716 6.0997 6.0997 6.5719 6.5719 6.6813 6.6813 7.4070 7.4070 7.5166 7.5166 11.5167 11.5167 11.6061 11.6061 12.0445 12.0445 12.2694 12.2694 k =-0.2660 1.0512 0.8313 ( 4327 PWs) bands (ev): -0.1756 -0.1756 0.7255 0.7255 1.3541 1.3541 1.3809 1.3809 4.0401 4.0401 4.6493 4.6493 5.6408 5.6408 6.1004 6.1004 6.5423 6.5423 6.6578 6.6578 7.4010 7.4010 7.5074 7.5074 11.5445 11.5445 11.6698 11.6698 12.1150 12.1150 12.2903 12.2903 k =-0.2660 1.0512 0.8557 ( 4332 PWs) bands (ev): -0.1068 -0.1068 0.7370 0.7370 1.3157 1.3157 1.4094 1.4094 3.9911 3.9911 4.5412 4.5412 5.7083 5.7083 6.1022 6.1022 6.5144 6.5144 6.6304 6.6304 7.3980 7.3980 7.4991 7.4991 11.5746 11.5746 11.7283 11.7283 12.1866 12.1866 12.3105 12.3105 k =-0.2660 1.0512 0.8802 ( 4340 PWs) bands (ev): -0.0367 -0.0367 0.7292 0.7292 1.2958 1.2958 1.4313 1.4313 3.9533 3.9533 4.4390 4.4390 5.7735 5.7735 6.1045 6.1045 6.4889 6.4889 6.6000 6.6000 7.3977 7.3977 7.4910 7.4910 11.6071 11.6071 11.7794 11.7794 12.2566 12.2566 12.3311 12.3311 k =-0.2660 1.0512 0.9046 ( 4332 PWs) bands (ev): 0.0345 0.0345 0.7018 0.7018 1.2943 1.2943 1.4461 1.4461 3.9275 3.9275 4.3434 4.3434 5.8357 5.8357 6.1067 6.1067 6.4663 6.4663 6.5675 6.5675 7.3998 7.3998 7.4827 7.4827 11.6420 11.6420 11.8202 11.8202 12.3165 12.3165 12.3576 12.3576 k =-0.2660 1.0512 0.9291 ( 4326 PWs) bands (ev): 0.1066 0.1066 0.6577 0.6577 1.3074 1.3074 1.4532 1.4532 3.9145 3.9145 4.2551 4.2551 5.8939 5.8939 6.1080 6.1080 6.4474 6.4474 6.5345 6.5345 7.4041 7.4041 7.4740 7.4740 11.6786 11.6786 11.8481 11.8481 12.3505 12.3505 12.3985 12.3985 k =-0.2660 1.0512 0.9535 ( 4330 PWs) bands (ev): 0.1794 0.1794 0.6018 0.6018 1.3297 1.3297 1.4527 1.4527 3.9144 3.9144 4.1751 4.1751 5.9468 5.9468 6.1070 6.1070 6.4332 6.4332 6.5024 6.5024 7.4102 7.4102 7.4648 7.4648 11.7160 11.7160 11.8613 11.8613 12.3711 12.3711 12.4278 12.4278 k =-0.2660 1.0512 0.9780 ( 4332 PWs) bands (ev): 0.2527 0.2527 0.5381 0.5381 1.3565 1.3565 1.4446 1.4446 3.9275 3.9275 4.1041 4.1041 5.9926 5.9926 6.1024 6.1024 6.4249 6.4249 6.4735 6.4735 7.4178 7.4178 7.4553 7.4553 11.7531 11.7531 11.8600 11.8600 12.3887 12.3887 12.4347 12.4347 k =-0.2660 1.0512 1.0024 ( 4336 PWs) bands (ev): 0.3259 0.3259 0.4697 0.4697 1.3837 1.3837 1.4296 1.4296 3.9532 3.9532 4.0434 4.0434 6.0285 6.0285 6.0935 6.0935 6.4235 6.4235 6.4504 6.4504 7.4264 7.4264 7.4455 7.4455 11.7877 11.7877 11.8464 11.8464 12.4041 12.4041 12.4303 12.4303 k =-0.2660 1.0512 1.0269 ( 4336 PWs) bands (ev): 0.3971 0.3971 0.4000 0.4000 1.4073 1.4073 1.4104 1.4104 3.9842 3.9842 4.0007 4.0007 6.0453 6.0453 6.0861 6.0861 6.4266 6.4266 6.4386 6.4386 7.4351 7.4351 7.4364 7.4364 11.8109 11.8109 11.8300 11.8300 12.4137 12.4138 12.4239 12.4239 k =-0.2660 1.0512 1.0269 ( 4336 PWs) bands (ev): 0.3971 0.3971 0.4000 0.4000 1.4073 1.4073 1.4104 1.4104 3.9842 3.9842 4.0007 4.0007 6.0453 6.0453 6.0861 6.0861 6.4266 6.4266 6.4386 6.4386 7.4351 7.4351 7.4364 7.4364 11.8109 11.8109 11.8300 11.8300 12.4138 12.4138 12.4239 12.4239 k =-0.2720 1.0275 1.0269 ( 4336 PWs) bands (ev): 0.3934 0.3934 0.3966 0.3966 1.3861 1.3861 1.3903 1.3903 4.0044 4.0044 4.0200 4.0200 6.0730 6.0730 6.1153 6.1153 6.4333 6.4333 6.4449 6.4449 7.4266 7.4266 7.4297 7.4297 11.7942 11.7942 11.8167 11.8167 12.3707 12.3707 12.3936 12.3936 k =-0.2780 1.0038 1.0269 ( 4340 PWs) bands (ev): 0.3885 0.3885 0.3921 0.3921 1.3586 1.3586 1.3639 1.3639 4.0354 4.0354 4.0503 4.0503 6.1006 6.1006 6.1443 6.1443 6.4421 6.4421 6.4535 6.4535 7.4166 7.4166 7.4214 7.4214 11.7693 11.7693 11.7950 11.7950 12.3327 12.3327 12.3660 12.3660 k =-0.2840 0.9801 1.0269 ( 4340 PWs) bands (ev): 0.3824 0.3824 0.3864 0.3864 1.3254 1.3254 1.3316 1.3316 4.0767 4.0767 4.0910 4.0910 6.1276 6.1276 6.1729 6.1729 6.4536 6.4536 6.4649 6.4649 7.4050 7.4050 7.4112 7.4112 11.7402 11.7402 11.7686 11.7686 12.2999 12.2999 12.3410 12.3410 k =-0.2900 0.9564 1.0269 ( 4336 PWs) bands (ev): 0.3754 0.3754 0.3796 0.3796 1.2871 1.2871 1.2942 1.2942 4.1274 4.1274 4.1414 4.1414 6.1540 6.1540 6.2008 6.2008 6.4679 6.4679 6.4792 6.4792 7.3913 7.3913 7.3988 7.3988 11.7106 11.7106 11.7410 11.7410 12.2715 12.2715 12.3181 12.3181 k =-0.2960 0.9327 1.0269 ( 4328 PWs) bands (ev): 0.3674 0.3674 0.3719 0.3719 1.2446 1.2446 1.2523 1.2523 4.1869 4.1869 4.2006 4.2006 6.1792 6.1792 6.2276 6.2276 6.4854 6.4854 6.4968 6.4968 7.3756 7.3756 7.3841 7.3841 11.6829 11.6829 11.7149 11.7149 12.2464 12.2464 12.2968 12.2968 k =-0.3020 0.9090 1.0269 ( 4328 PWs) bands (ev): 0.3585 0.3585 0.3633 0.3633 1.1984 1.1984 1.2067 1.2067 4.2541 4.2541 4.2679 4.2679 6.2032 6.2032 6.2530 6.2530 6.5064 6.5064 6.5179 6.5179 7.3579 7.3579 7.3669 7.3669 11.6591 11.6591 11.6921 11.6921 12.2240 12.2240 12.2767 12.2767 k =-0.3080 0.8853 1.0269 ( 4324 PWs) bands (ev): 0.3488 0.3488 0.3537 0.3537 1.1494 1.1494 1.1581 1.1581 4.3282 4.3282 4.3423 4.3423 6.2256 6.2256 6.2765 6.2765 6.5313 6.5313 6.5426 6.5426 7.3381 7.3381 7.3476 7.3476 11.6403 11.6403 11.6741 11.6741 12.2036 12.2036 12.2573 12.2573 k =-0.3140 0.8616 1.0269 ( 4316 PWs) bands (ev): 0.3383 0.3383 0.3434 0.3434 1.0983 1.0983 1.1072 1.1072 4.4084 4.4084 4.4231 4.4231 6.2464 6.2464 6.2981 6.2981 6.5600 6.5600 6.5710 6.5710 7.3167 7.3167 7.3261 7.3261 11.6271 11.6271 11.6615 11.6615 12.1847 12.1847 12.2382 12.2382 k =-0.3200 0.8378 1.0269 ( 4308 PWs) bands (ev): 0.3271 0.3271 0.3323 0.3323 1.0456 1.0456 1.0547 1.0547 4.4938 4.4938 4.5093 4.5093 6.2655 6.2655 6.3177 6.3177 6.5923 6.5923 6.6029 6.6029 7.2940 7.2940 7.3031 7.3031 11.6198 11.6198 11.6548 11.6548 12.1668 12.1668 12.2188 12.2188 k =-0.3260 0.8141 1.0269 ( 4304 PWs) bands (ev): 0.3152 0.3152 0.3205 0.3205 0.9920 0.9920 1.0011 1.0011 4.5837 4.5837 4.6002 4.6002 6.2830 6.2830 6.3353 6.3353 6.6280 6.6280 6.6379 6.6379 7.2707 7.2707 7.2790 7.2790 11.6186 11.6186 11.6539 11.6539 12.1490 12.1490 12.1979 12.1979 k =-0.3320 0.7904 1.0269 ( 4290 PWs) bands (ev): 0.3027 0.3027 0.3079 0.3079 0.9380 0.9380 0.9470 0.9470 4.6772 4.6772 4.6949 4.6949 6.2991 6.2991 6.3510 6.3510 6.6664 6.6664 6.6754 6.6754 7.2478 7.2478 7.2548 7.2548 11.6230 11.6230 11.6586 11.6586 12.1301 12.1301 12.1737 12.1737 k =-0.3380 0.7667 1.0269 ( 4290 PWs) bands (ev): 0.2896 0.2896 0.2948 0.2948 0.8841 0.8841 0.8929 0.8929 4.7735 4.7735 4.7927 4.7927 6.3139 6.3139 6.3649 6.3649 6.7067 6.7067 6.7146 6.7146 7.2264 7.2264 7.2315 7.2315 11.6327 11.6327 11.6685 11.6685 12.1082 12.1082 12.1439 12.1439 k =-0.3440 0.7430 1.0269 ( 4294 PWs) bands (ev): 0.2759 0.2759 0.2809 0.2809 0.8308 0.8308 0.8392 0.8392 4.8719 4.8719 4.8926 4.8926 6.3276 6.3276 6.3771 6.3771 6.7478 6.7478 6.7545 6.7545 7.2081 7.2081 7.2108 7.2108 11.6472 11.6472 11.6828 11.6828 12.0804 12.0804 12.1052 12.1052 k =-0.3500 0.7193 1.0269 ( 4300 PWs) bands (ev): 0.2616 0.2616 0.2664 0.2664 0.7783 0.7783 0.7864 0.7864 4.9714 4.9714 4.9940 4.9940 6.3404 6.3404 6.3877 6.3877 6.7883 6.7883 6.7932 6.7932 7.1949 7.1949 7.1950 7.1950 11.6659 11.6659 11.7007 11.7007 12.0434 12.0434 12.0556 12.0556 k =-0.3560 0.6956 1.0269 ( 4308 PWs) bands (ev): 0.2467 0.2467 0.2512 0.2512 0.7272 0.7272 0.7347 0.7347 5.0712 5.0712 5.0956 5.0956 6.3525 6.3525 6.3966 6.3966 6.8261 6.8261 6.8285 6.8285 7.1867 7.1867 7.1899 7.1899 11.6876 11.6876 11.7211 11.7211 11.9949 11.9949 11.9952 11.9952 k =-0.3620 0.6719 1.0269 ( 4300 PWs) bands (ev): 0.2312 0.2312 0.2353 0.2353 0.6777 0.6777 0.6846 0.6846 5.1703 5.1703 5.1966 5.1966 6.3642 6.3642 6.4040 6.4040 6.8576 6.8576 6.8590 6.8590 7.1899 7.1899 7.1961 7.1961 11.7109 11.7109 11.7415 11.7415 11.9256 11.9256 11.9375 11.9375 k =-0.3680 0.6482 1.0269 ( 4308 PWs) bands (ev): 0.2151 0.2151 0.2187 0.2187 0.6301 0.6301 0.6363 0.6363 5.2675 5.2675 5.2954 5.2954 6.3759 6.3759 6.4100 6.4100 6.8781 6.8781 6.8850 6.8850 7.2073 7.2073 7.2160 7.2160 11.7298 11.7298 11.7535 11.7535 11.8554 11.8554 11.8801 11.8801 k =-0.3740 0.6244 1.0269 ( 4312 PWs) bands (ev): 0.1983 0.1983 0.2013 0.2013 0.5848 0.5848 0.5902 0.5902 5.3615 5.3615 5.3908 5.3908 6.3882 6.3882 6.4151 6.4151 6.8901 6.8901 6.9045 6.9045 7.2397 7.2397 7.2504 7.2504 11.7132 11.7132 11.7281 11.7281 11.8169 11.8169 11.8542 11.8542 k =-0.3800 0.6007 1.0269 ( 4314 PWs) bands (ev): 0.1807 0.1807 0.1831 0.1831 0.5419 0.5419 0.5464 0.5464 5.4507 5.4507 5.4808 5.4808 6.4018 6.4018 6.4197 6.4197 6.8963 6.8963 6.9195 6.9195 7.2854 7.2854 7.2979 7.2979 11.6403 11.6403 11.6583 11.6583 11.8323 11.8323 11.8688 11.8688 k =-0.3860 0.5770 1.0269 ( 4318 PWs) bands (ev): 0.1625 0.1625 0.1641 0.1641 0.5018 0.5018 0.5054 0.5054 5.5335 5.5335 5.5634 5.5634 6.4179 6.4179 6.4249 6.4249 6.9003 6.9003 6.9331 6.9331 7.3416 7.3416 7.3562 7.3562 11.5495 11.5495 11.5717 11.5717 11.8639 11.8639 11.8975 11.8975 k =-0.3920 0.5533 1.0269 ( 4318 PWs) bands (ev): 0.1434 0.1434 0.1443 0.1443 0.4645 0.4645 0.4672 0.4672 5.6080 5.6080 5.6366 5.6366 6.4317 6.4317 6.4373 6.4373 6.9053 6.9053 6.9478 6.9478 7.4059 7.4059 7.4229 7.4229 11.4526 11.4526 11.4782 11.4782 11.9006 11.9006 11.9316 11.9316 k =-0.3980 0.5296 1.0269 ( 4306 PWs) bands (ev): 0.1236 0.1236 0.1237 0.1237 0.4303 0.4303 0.4320 0.4320 5.6723 5.6723 5.6982 5.6982 6.4416 6.4416 6.4609 6.4609 6.9138 6.9138 6.9656 6.9656 7.4768 7.4768 7.4967 7.4967 11.3521 11.3521 11.3808 11.3808 11.9405 11.9405 11.9690 11.9690 k =-0.4040 0.5059 1.0269 ( 4300 PWs) bands (ev): 0.1025 0.1025 0.1032 0.1032 0.3992 0.3992 0.3999 0.3999 5.7250 5.7250 5.7472 5.7472 6.4553 6.4553 6.4886 6.4886 6.9279 6.9279 6.9876 6.9876 7.5532 7.5532 7.5765 7.5765 11.2490 11.2490 11.2804 11.2804 11.9828 11.9828 12.0092 12.0092 k =-0.4100 0.4822 1.0269 ( 4300 PWs) bands (ev): 0.0808 0.0808 0.0821 0.0821 0.3709 0.3709 0.3710 0.3710 5.7654 5.7654 5.7831 5.7831 6.4733 6.4733 6.5193 6.5193 6.9489 6.9489 7.0145 7.0145 7.6346 7.6346 7.6615 7.6615 11.1439 11.1439 11.1779 11.1779 12.0272 12.0272 12.0521 12.0521 k =-0.4160 0.4585 1.0269 ( 4308 PWs) bands (ev): 0.0589 0.0589 0.0608 0.0608 0.3449 0.3449 0.3458 0.3458 5.7936 5.7936 5.8070 5.8070 6.4951 6.4951 6.5510 6.5510 6.9780 6.9780 7.0466 7.0466 7.7206 7.7206 7.7515 7.7515 11.0370 11.0370 11.0735 11.0735 12.0731 12.0731 12.0975 12.0975 k =-0.4220 0.4348 1.0269 ( 4312 PWs) bands (ev): 0.0370 0.0370 0.0394 0.0394 0.3218 0.3218 0.3233 0.3233 5.8110 5.8110 5.8207 5.8207 6.5194 6.5194 6.5812 6.5812 7.0154 7.0154 7.0836 7.0836 7.8110 7.8110 7.8459 7.8459 10.9286 10.9286 10.9677 10.9677 12.1193 12.1193 12.1450 12.1450 k =-0.4280 0.4110 1.0269 ( 4304 PWs) bands (ev): 0.0154 0.0154 0.0181 0.0181 0.3014 0.3014 0.3034 0.3034 5.8196 5.8196 5.8262 5.8262 6.5447 6.5447 6.6083 6.6083 7.0604 7.0604 7.1248 7.1248 7.9055 7.9055 7.9445 7.9445 10.8190 10.8190 10.8605 10.8605 12.1613 12.1613 12.1915 12.1915 k =-0.4340 0.3873 1.0269 ( 4300 PWs) bands (ev): -0.0055 -0.0055 -0.0025 -0.0025 0.2835 0.2835 0.2858 0.2858 5.8212 5.8212 5.8257 5.8257 6.5696 6.5696 6.6315 6.6315 7.1112 7.1112 7.1694 7.1694 8.0039 8.0039 8.0470 8.0470 10.7084 10.7084 10.7522 10.7522 12.1873 12.1873 12.2141 12.2141 k =-0.4400 0.3636 1.0269 ( 4296 PWs) bands (ev): -0.0254 -0.0254 -0.0224 -0.0224 0.2678 0.2678 0.2703 0.2703 5.8180 5.8180 5.8209 5.8209 6.5930 6.5930 6.6506 6.6506 7.1655 7.1655 7.2160 7.2160 8.1059 8.1059 8.1528 8.1528 10.5968 10.5968 10.6430 10.6430 12.1879 12.1879 12.2007 12.2007 k =-0.4460 0.3399 1.0269 ( 4292 PWs) bands (ev): -0.0441 -0.0441 -0.0411 -0.0411 0.2541 0.2541 0.2567 0.2567 5.8116 5.8116 5.8135 5.8135 6.6143 6.6143 6.6663 6.6663 7.2209 7.2209 7.2632 7.2632 8.2112 8.2112 8.2614 8.2614 10.4847 10.4847 10.5330 10.5330 12.1739 12.1739 12.1795 12.1795 k =-0.4520 0.3162 1.0269 ( 4292 PWs) bands (ev): -0.0613 -0.0613 -0.0585 -0.0585 0.2424 0.2424 0.2449 0.2449 5.8034 5.8034 5.8046 5.8046 6.6333 6.6333 6.6789 6.6789 7.2752 7.2752 7.3097 7.3097 8.3191 8.3191 8.3721 8.3721 10.3724 10.3724 10.4226 10.4226 12.1544 12.1544 12.1565 12.1565 k =-0.4580 0.2925 1.0269 ( 4296 PWs) bands (ev): -0.0769 -0.0769 -0.0743 -0.0743 0.2323 0.2323 0.2347 0.2347 5.7942 5.7942 5.7950 5.7950 6.6500 6.6500 6.6891 6.6891 7.3266 7.3266 7.3539 7.3539 8.4290 8.4290 8.4842 8.4842 10.2602 10.2602 10.3120 10.3120 12.1330 12.1330 12.1332 12.1332 k =-0.4640 0.2688 1.0269 ( 4308 PWs) bands (ev): -0.0907 -0.0907 -0.0883 -0.0883 0.2238 0.2238 0.2260 0.2260 5.7851 5.7851 5.7856 5.7856 6.6643 6.6643 6.6971 6.6971 7.3737 7.3737 7.3948 7.3948 8.5399 8.5399 8.5963 8.5963 10.1489 10.1489 10.2018 10.2018 12.1106 12.1106 12.1116 12.1116 k =-0.4700 0.2451 1.0269 ( 4304 PWs) bands (ev): -0.1025 -0.1025 -0.1005 -0.1005 0.2169 0.2169 0.2187 0.2187 5.7765 5.7765 5.7768 5.7768 6.6765 6.6765 6.7032 6.7032 7.4153 7.4153 7.4311 7.4311 8.6505 8.6505 8.7071 8.7071 10.0398 10.0398 10.0929 10.0929 12.0896 12.0896 12.0911 12.0911 k =-0.4760 0.2214 1.0269 ( 4300 PWs) bands (ev): -0.1123 -0.1123 -0.1106 -0.1106 0.2113 0.2113 0.2128 0.2128 5.7690 5.7690 5.7692 5.7692 6.6867 6.6867 6.7076 6.7076 7.4506 7.4506 7.4620 7.4620 8.7590 8.7590 8.8139 8.8139 9.9347 9.9347 9.9866 9.9866 12.0711 12.0711 12.0727 12.0727 k =-0.4820 0.1977 1.0269 ( 4308 PWs) bands (ev): -0.1199 -0.1199 -0.1186 -0.1186 0.2070 0.2070 0.2082 0.2082 5.7628 5.7628 5.7629 5.7629 6.6950 6.6950 6.7104 6.7104 7.4789 7.4789 7.4867 7.4867 8.8621 8.8621 8.9128 8.9128 9.8376 9.8376 9.8858 9.8858 12.0558 12.0558 12.0573 12.0573 k =-0.4880 0.1739 1.0269 ( 4308 PWs) bands (ev): -0.1253 -0.1253 -0.1244 -0.1244 0.2041 0.2041 0.2049 0.2049 5.7582 5.7582 5.7583 5.7583 6.7016 6.7016 6.7117 6.7117 7.4997 7.4997 7.5045 7.5045 8.9545 8.9545 8.9963 8.9963 9.7554 9.7554 9.7954 9.7954 12.0444 12.0444 12.0456 12.0456 k =-0.4940 0.1502 1.0269 ( 4308 PWs) bands (ev): -0.1285 -0.1285 -0.1281 -0.1281 0.2024 0.2024 0.2028 0.2028 5.7554 5.7554 5.7554 5.7554 6.7065 6.7065 6.7115 6.7115 7.5127 7.5127 7.5150 7.5150 9.0266 9.0266 9.0515 9.0515 9.7009 9.7009 9.7249 9.7249 12.0376 12.0376 12.0382 12.0382 k =-0.5000 0.1265 1.0269 ( 4312 PWs) bands (ev): -0.1294 -0.1294 -0.1294 -0.1294 0.2020 0.2020 0.2020 0.2020 5.7545 5.7545 5.7545 5.7545 6.7098 6.7098 6.7098 6.7098 7.5178 7.5178 7.5178 7.5178 9.0631 9.0631 9.0631 9.0631 9.6892 9.6892 9.6892 9.6892 12.0355 12.0355 12.0355 12.0355 k =-0.5000 0.1265 1.0269 ( 4312 PWs) bands (ev): -0.1294 -0.1294 -0.1294 -0.1294 0.2020 0.2020 0.2020 0.2020 5.7545 5.7545 5.7545 5.7545 6.7098 6.7098 6.7098 6.7098 7.5178 7.5178 7.5178 7.5178 9.0631 9.0631 9.0631 9.0631 9.6892 9.6892 9.6892 9.6892 12.0355 12.0355 12.0355 12.0355 k =-0.5000 0.1265 1.0024 ( 4310 PWs) bands (ev): -0.2402 -0.2402 -0.0321 -0.0321 0.1158 0.1158 0.3052 0.3052 5.6621 5.6621 5.8479 5.8479 6.6416 6.6416 6.7800 6.7800 7.4951 7.4951 7.5435 7.5435 8.9701 8.9701 9.1556 9.1556 9.5965 9.5965 9.7841 9.7841 12.0278 12.0278 12.0324 12.0324 k =-0.5000 0.1265 0.9780 ( 4302 PWs) bands (ev): -0.3513 -0.3513 -0.0450 -0.0450 0.1433 0.1433 0.4118 0.4118 5.5717 5.5717 5.9406 5.9406 6.5769 6.5769 6.8516 6.8516 7.4756 7.4756 7.5723 7.5723 8.8773 8.8773 9.2464 9.2464 9.5071 9.5071 9.8808 9.8808 12.0092 12.0092 12.0183 12.0183 k =-0.5000 0.1265 0.9535 ( 4304 PWs) bands (ev): -0.4608 -0.4608 -0.1367 -0.1367 0.2533 0.2533 0.5199 0.5199 5.4840 5.4840 6.0296 6.0296 6.5186 6.5186 6.9240 6.9240 7.4590 7.4590 7.6043 7.6043 8.7849 8.7849 9.3264 9.3264 9.4299 9.4299 9.9791 9.9791 11.9794 11.9794 11.9926 11.9926 k =-0.5000 0.1265 0.9291 ( 4292 PWs) bands (ev): -0.5682 -0.5682 -0.2360 -0.2360 0.3748 0.3748 0.6286 0.6286 5.3996 5.3996 6.1070 6.1070 6.4742 6.4742 6.9969 6.9969 7.4454 7.4454 7.6395 7.6395 8.6933 8.6933 9.3095 9.3095 9.4509 9.4509 10.0788 10.0788 11.9369 11.9369 11.9556 11.9556 k =-0.5000 0.1265 0.9046 ( 4292 PWs) bands (ev): -0.6733 -0.6733 -0.3356 -0.3356 0.5005 0.5005 0.7375 0.7375 5.3190 5.3190 6.1558 6.1558 6.4605 6.4605 7.0699 7.0699 7.4349 7.4349 7.6779 7.6779 8.6025 8.6025 9.2305 9.2305 9.5350 9.5350 10.1799 10.1799 11.8802 11.8802 11.9088 11.9088 k =-0.5000 0.1265 0.8802 ( 4284 PWs) bands (ev): -0.7759 -0.7759 -0.4343 -0.4343 0.6291 0.6291 0.8460 0.8460 5.2426 5.2426 6.1581 6.1581 6.4951 6.4951 7.1427 7.1427 7.4273 7.4273 7.7195 7.7195 8.5129 8.5129 9.1485 9.1485 9.6229 9.6229 10.2823 10.2823 11.8094 11.8094 11.8544 11.8544 k =-0.5000 0.1265 0.8557 ( 4284 PWs) bands (ev): -0.8761 -0.8761 -0.5314 -0.5314 0.7604 0.7604 0.9539 0.9539 5.1711 5.1711 6.1240 6.1240 6.5675 6.5675 7.2147 7.2147 7.4231 7.4231 7.7643 7.7643 8.4246 8.4246 9.0680 9.0680 9.7103 9.7103 10.3857 10.3857 11.7273 11.7273 11.7939 11.7939 k =-0.5000 0.1265 0.8313 ( 4296 PWs) bands (ev): -0.9737 -0.9737 -0.6267 -0.6267 0.8939 0.8939 1.0605 1.0605 5.1048 5.1048 6.0733 6.0733 6.6575 6.6575 7.2851 7.2851 7.4228 7.4228 7.8124 7.8124 8.3378 8.3378 8.9897 8.9897 9.7961 9.7961 10.4901 10.4901 11.6374 11.6374 11.7286 11.7286 k =-0.5000 0.1265 0.8068 ( 4296 PWs) bands (ev): -1.0688 -1.0688 -0.7201 -0.7201 1.0297 1.0297 1.1654 1.1654 5.0444 5.0444 6.0161 6.0161 6.7544 6.7544 7.3502 7.3502 7.4297 7.4297 7.8638 7.8638 8.2526 8.2526 8.9144 8.9144 9.8797 9.8797 10.5954 10.5954 11.5427 11.5427 11.6596 11.6596 k =-0.5000 0.1265 0.7824 ( 4296 PWs) bands (ev): -1.1612 -1.1612 -0.8114 -0.8114 1.1676 1.1676 1.2680 1.2680 4.9905 4.9905 5.9563 5.9563 6.8536 6.8536 7.3948 7.3948 7.4586 7.4586 7.9184 7.9184 8.1693 8.1693 8.8424 8.8424 9.9608 9.9608 10.7012 10.7012 11.4453 11.4453 11.5884 11.5884 k =-0.5000 0.1265 0.7579 ( 4304 PWs) bands (ev): -1.2510 -1.2510 -0.9006 -0.9006 1.3074 1.3074 1.3678 1.3678 4.9437 4.9437 5.8959 5.8959 6.9527 6.9527 7.4123 7.4123 7.5159 7.5159 7.9760 7.9760 8.0883 8.0883 8.7743 8.7743 10.0389 10.0389 10.8072 10.8072 11.3467 11.3467 11.5162 11.5162 k =-0.5000 0.1265 0.7335 ( 4304 PWs) bands (ev): -1.3381 -1.3381 -0.9876 -0.9876 1.4481 1.4481 1.4651 1.4651 4.9048 4.9048 5.8355 5.8355 7.0496 7.0496 7.4232 7.4232 7.5804 7.5804 8.0059 8.0059 8.0405 8.0405 8.7111 8.7111 10.1139 10.1139 10.9130 10.9130 11.2482 11.2482 11.4444 11.4444 k =-0.5000 0.1265 0.7090 ( 4304 PWs) bands (ev): -1.4226 -1.4226 -1.0722 -1.0722 1.5545 1.5545 1.5942 1.5942 4.8743 4.8743 5.7757 5.7757 7.1426 7.1426 7.4344 7.4344 7.6445 7.6445 7.9316 7.9316 8.1029 8.1029 8.6535 8.6535 10.1853 10.1853 11.0161 11.0161 11.1519 11.1519 11.3747 11.3747 k =-0.5000 0.1265 0.6846 ( 4304 PWs) bands (ev): -1.5043 -1.5043 -1.1545 -1.1545 1.6415 1.6415 1.7395 1.7395 4.8531 4.8531 5.7169 5.7169 7.2296 7.2296 7.4473 7.4473 7.7046 7.7046 7.8603 7.8603 8.1704 8.1704 8.6029 8.6029 10.2531 10.2531 11.0444 11.0444 11.1277 11.1277 11.3109 11.3109 k =-0.5000 0.1265 0.6601 ( 4302 PWs) bands (ev): -1.5834 -1.5834 -1.2343 -1.2343 1.7225 1.7225 1.8867 1.8867 4.8418 4.8418 5.6593 5.6593 7.3080 7.3080 7.4626 7.4626 7.7421 7.7421 7.8118 7.8118 8.2411 8.2411 8.5609 8.5609 10.3168 10.3168 10.9529 10.9529 11.1911 11.1911 11.2833 11.2833 k =-0.5000 0.1265 0.6357 ( 4298 PWs) bands (ev): -1.6597 -1.6597 -1.3117 -1.3117 1.7970 1.7970 2.0355 2.0355 4.8411 4.8411 5.6029 5.6029 7.3747 7.3747 7.4804 7.4804 7.7006 7.7006 7.8428 7.8428 8.3145 8.3145 8.5298 8.5298 10.3764 10.3764 10.8595 10.8595 11.1580 11.1580 11.3592 11.3592 k =-0.5000 0.1265 0.6112 ( 4298 PWs) bands (ev): -1.7333 -1.7333 -1.3864 -1.3864 1.8645 1.8645 2.1858 2.1858 4.8515 4.8515 5.5481 5.5481 7.4264 7.4264 7.4996 7.4996 7.6403 7.6403 7.8941 7.8941 8.3896 8.3896 8.5124 8.5124 10.4317 10.4317 10.7680 10.7680 11.1047 11.1047 11.4594 11.4594 k =-0.5000 0.1265 0.5868 ( 4294 PWs) bands (ev): -1.8041 -1.8041 -1.4586 -1.4586 1.9244 1.9244 2.3375 2.3375 4.8734 4.8734 5.4948 5.4948 7.4627 7.4627 7.5097 7.5097 7.5913 7.5913 7.9442 7.9442 8.4593 8.4593 8.5176 8.5176 10.4818 10.4818 10.6794 10.6794 11.0537 11.0537 11.5615 11.5615 k =-0.5000 0.1265 0.5623 ( 4294 PWs) bands (ev): -1.8721 -1.8721 -1.5282 -1.5282 1.9766 1.9766 2.4903 2.4903 4.9070 4.9070 5.4432 5.4432 7.4752 7.4752 7.4945 7.4945 7.5787 7.5787 7.9907 7.9907 8.4969 8.4969 8.5724 8.5724 10.5216 10.5216 10.5992 10.5992 11.0079 11.0079 11.6626 11.6626 k =-0.5000 0.1265 0.5379 ( 4296 PWs) bands (ev): -1.9373 -1.9373 -1.5951 -1.5951 2.0210 2.0210 2.6442 2.6442 4.9522 4.9522 5.3935 5.3935 7.4259 7.4259 7.5095 7.5095 7.5854 7.5854 8.0325 8.0325 8.5237 8.5237 8.6546 8.6546 10.4922 10.4922 10.5865 10.5865 10.9683 10.9683 11.7602 11.7602 k =-0.5000 0.1265 0.5134 ( 4288 PWs) bands (ev): -1.9998 -1.9998 -1.6592 -1.6592 2.0578 2.0578 2.7989 2.7989 5.0088 5.0088 5.3457 5.3457 7.3699 7.3699 7.5192 7.5192 7.5938 7.5938 8.0690 8.0690 8.5579 8.5579 8.7436 8.7436 10.4144 10.4144 10.6209 10.6209 10.9358 10.9358 11.8004 11.8004 k =-0.5000 0.1265 0.4890 ( 4294 PWs) bands (ev): -2.0594 -2.0594 -1.7206 -1.7206 2.0872 2.0872 2.9541 2.9541 5.0762 5.0762 5.3002 5.3002 7.3145 7.3145 7.5170 7.5170 7.6055 7.6055 8.0998 8.0998 8.5986 8.5986 8.8365 8.8365 10.3353 10.3353 10.6555 10.6555 10.9107 10.9107 11.7586 11.7586 k =-0.5000 0.1265 0.4645 ( 4288 PWs) bands (ev): -2.1162 -2.1162 -1.7792 -1.7792 2.1098 2.1098 3.1097 3.1097 5.1529 5.1529 5.2578 5.2578 7.2609 7.2609 7.5027 7.5027 7.6223 7.6223 8.1244 8.1244 8.6426 8.6426 8.9329 8.9329 10.2586 10.2586 10.6872 10.6872 10.8933 10.8933 11.7155 11.7155 k =-0.5000 0.1265 0.4401 ( 4284 PWs) bands (ev): -2.1702 -2.1702 -1.8350 -1.8350 2.1262 2.1262 3.2653 3.2653 5.2065 5.2065 5.2503 5.2503 7.2095 7.2095 7.4798 7.4798 7.6425 7.6425 8.1427 8.1427 8.6865 8.6865 9.0325 9.0325 10.1849 10.1849 10.7158 10.7158 10.8837 10.8837 11.6738 11.6738 k =-0.5000 0.1265 0.4156 ( 4284 PWs) bands (ev): -2.2213 -2.2213 -1.8879 -1.8879 2.1372 2.1372 3.4206 3.4206 5.1729 5.1729 5.3410 5.3410 7.1605 7.1605 7.4516 7.4516 7.6645 7.6645 8.1544 8.1544 8.7268 8.7268 9.1350 9.1350 10.1149 10.1149 10.7413 10.7413 10.8817 10.8817 11.6339 11.6339 k =-0.5000 0.1265 0.3912 ( 4290 PWs) bands (ev): -2.2695 -2.2695 -1.9380 -1.9380 2.1435 2.1435 3.5749 3.5749 5.1371 5.1371 5.4441 5.4441 7.1140 7.1140 7.4203 7.4203 7.6874 7.6874 8.1594 8.1594 8.7609 8.7609 9.2405 9.2405 10.0492 10.0492 10.7640 10.7640 10.8871 10.8871 11.5959 11.5959 k =-0.5000 0.1265 0.3667 ( 4290 PWs) bands (ev): -2.3149 -2.3149 -1.9852 -1.9852 2.1459 2.1459 3.7279 3.7279 5.1037 5.1037 5.5544 5.5544 7.0701 7.0701 7.3873 7.3873 7.7107 7.7107 8.1578 8.1578 8.7862 8.7862 9.3487 9.3487 9.9886 9.9886 10.7840 10.7840 10.8993 10.8993 11.5600 11.5600 k =-0.5000 0.1265 0.3423 ( 4268 PWs) bands (ev): -2.3574 -2.3574 -2.0294 -2.0294 2.1451 2.1451 3.8787 3.8787 5.0735 5.0735 5.6704 5.6704 7.0289 7.0289 7.3539 7.3539 7.7340 7.7340 8.1496 8.1496 8.8005 8.8005 9.4595 9.4595 9.9338 9.9338 10.8017 10.8017 10.9175 10.9175 11.5261 11.5261 k =-0.5000 0.1265 0.3178 ( 4268 PWs) bands (ev): -2.3970 -2.3970 -2.0707 -2.0707 2.1418 2.1418 4.0263 4.0263 5.0470 5.0470 5.7911 5.7911 6.9903 6.9903 7.3205 7.3205 7.7569 7.7569 8.1350 8.1350 8.8026 8.8026 9.5727 9.5727 9.8855 9.8855 10.8173 10.8173 10.9410 10.9410 11.4943 11.4943 k =-0.5000 0.1265 0.2934 ( 4272 PWs) bands (ev): -2.4337 -2.4337 -2.1090 -2.1090 2.1366 2.1366 4.1691 4.1691 5.0251 5.0251 5.9155 5.9155 6.9545 6.9545 7.2879 7.2879 7.7792 7.7792 8.1142 8.1142 8.7916 8.7916 9.6880 9.6880 9.8442 9.8442 10.8309 10.8309 10.9688 10.9688 11.4648 11.4648 k =-0.5000 0.1265 0.2689 ( 4272 PWs) bands (ev): -2.4675 -2.4675 -2.1443 -2.1443 2.1300 2.1300 4.3051 4.3051 5.0095 5.0095 6.0426 6.0426 6.9213 6.9213 7.2563 7.2563 7.8008 7.8008 8.0873 8.0873 8.7677 8.7677 9.7989 9.7989 9.8159 9.8159 10.8428 10.8428 11.0000 11.0000 11.4374 11.4374 k =-0.5000 0.1265 0.2445 ( 4272 PWs) bands (ev): -2.4984 -2.4984 -2.1766 -2.1766 2.1226 2.1226 4.4305 4.4305 5.0029 5.0029 6.1715 6.1715 6.8909 6.8909 7.2260 7.2260 7.8212 7.8212 8.0545 8.0545 8.7321 8.7321 9.7799 9.7799 9.9253 9.9253 10.8530 10.8530 11.0335 11.0335 11.4124 11.4124 k =-0.5000 0.1265 0.2200 ( 4272 PWs) bands (ev): -2.5264 -2.5264 -2.2059 -2.2059 2.1148 2.1148 4.5398 4.5398 5.0100 5.0100 6.3013 6.3013 6.8633 6.8633 7.1973 7.1973 7.8404 7.8404 8.0158 8.0158 8.6867 8.6867 9.7571 9.7571 10.0452 10.0452 10.8617 10.8617 11.0682 11.0682 11.3898 11.3898 k =-0.5000 0.1265 0.1956 ( 4270 PWs) bands (ev): -2.5514 -2.5514 -2.2321 -2.2321 2.1070 2.1070 4.6252 4.6252 5.0371 5.0371 6.4310 6.4310 6.8384 6.8384 7.1703 7.1703 7.8579 7.8579 7.9714 7.9714 8.6341 8.6341 9.7386 9.7386 10.1655 10.1655 10.8690 10.8690 11.1030 11.1030 11.3695 11.3695 k =-0.5000 0.1265 0.1711 ( 4274 PWs) bands (ev): -2.5735 -2.5735 -2.2553 -2.2553 2.0993 2.0993 4.6815 4.6815 5.0882 5.0882 6.5596 6.5596 6.8165 6.8165 7.1452 7.1452 7.8728 7.8728 7.9222 7.9222 8.5771 8.5771 9.7237 9.7237 10.2853 10.2853 10.8752 10.8752 11.1367 11.1367 11.3518 11.3518 k =-0.5000 0.1265 0.1467 ( 4270 PWs) bands (ev): -2.5927 -2.5927 -2.2754 -2.2754 2.0923 2.0923 4.7121 4.7121 5.1579 5.1579 6.6857 6.6857 6.7981 6.7981 7.1222 7.1222 7.8594 7.8594 7.8934 7.8934 8.5188 8.5188 9.7118 9.7118 10.4031 10.4031 10.8802 10.8802 11.1681 11.1681 11.3366 11.3366 k =-0.5000 0.1265 0.1222 ( 4260 PWs) bands (ev): -2.6089 -2.6089 -2.2924 -2.2924 2.0859 2.0859 4.7263 4.7263 5.2351 5.2351 6.7740 6.7740 6.8174 6.8174 7.1017 7.1017 7.7994 7.7994 7.9033 7.9033 8.4624 8.4624 9.7021 9.7021 10.5170 10.5170 10.8843 10.8843 11.1961 11.1961 11.3242 11.3242 k =-0.5000 0.1265 0.0978 ( 4258 PWs) bands (ev): -2.6222 -2.6222 -2.3064 -2.3064 2.0805 2.0805 4.7319 4.7319 5.3095 5.3095 6.7644 6.7644 6.9335 6.9335 7.0842 7.0842 7.7311 7.7311 7.9133 7.9133 8.4109 8.4109 9.6945 9.6945 10.6239 10.6239 10.8874 10.8874 11.2194 11.2194 11.3148 11.3148 k =-0.5000 0.1265 0.0733 ( 4256 PWs) bands (ev): -2.6326 -2.6326 -2.3173 -2.3173 2.0761 2.0761 4.7334 4.7334 5.3741 5.3741 6.7539 6.7539 7.0430 7.0430 7.0755 7.0755 7.6567 7.6567 7.9214 7.9214 8.3671 8.3671 9.6887 9.6887 10.7195 10.7195 10.8897 10.8897 11.2370 11.2370 11.3086 11.3086 k =-0.5000 0.1265 0.0489 ( 4252 PWs) bands (ev): -2.6399 -2.6399 -2.3250 -2.3250 2.0730 2.0730 4.7333 4.7333 5.4237 5.4237 6.7461 6.7461 7.0549 7.0549 7.1620 7.1620 7.5772 7.5772 7.9272 7.9272 8.3338 8.3338 9.6846 9.6846 10.7975 10.7975 10.8909 10.8909 11.2483 11.2483 11.3055 11.3055 k =-0.5000 0.1265 0.0244 ( 4250 PWs) bands (ev): -2.6444 -2.6444 -2.3297 -2.3297 2.0710 2.0710 4.7328 4.7328 5.4550 5.4550 6.7414 6.7414 7.0487 7.0487 7.2598 7.2598 7.4970 7.4970 7.9308 7.9308 8.3129 8.3129 9.6822 9.6822 10.8505 10.8505 10.8906 10.8906 11.2540 11.2540 11.3047 11.3047 k =-0.5000 0.1265 0.0000 ( 4248 PWs) bands (ev): -2.6458 -2.6458 -2.3312 -2.3312 2.0704 2.0704 4.7326 4.7326 5.4656 5.4656 6.7397 6.7397 7.0464 7.0464 7.3158 7.3158 7.4469 7.4469 7.9320 7.9320 8.3058 8.3058 9.6814 9.6814 10.8709 10.8709 10.8889 10.8889 11.2556 11.2556 11.3047 11.3047 k = 0.0000 0.0000 1.0269 ( 4272 PWs) bands (ev): -0.4526 -0.4526 -0.4526 -0.4526 0.7374 0.7374 0.7374 0.7374 4.5647 4.5647 4.5647 4.5647 7.3207 7.3207 7.3207 7.3207 8.0171 8.0171 8.0171 8.0171 9.7681 9.7681 9.7681 9.7681 10.0496 10.0496 10.0496 10.0496 11.7130 11.7130 11.7130 11.7130 k =-0.0238 0.0060 1.0269 ( 4268 PWs) bands (ev): -0.4516 -0.4516 -0.4516 -0.4516 0.7350 0.7350 0.7350 0.7350 4.5692 4.5692 4.5692 4.5692 7.3216 7.3216 7.3216 7.3216 8.0124 8.0124 8.0124 8.0124 9.7630 9.7630 9.7630 9.7630 10.0449 10.0449 10.0449 10.0449 11.7192 11.7192 11.7192 11.7192 k =-0.0476 0.0120 1.0269 ( 4272 PWs) bands (ev): -0.4484 -0.4484 -0.4484 -0.4484 0.7279 0.7279 0.7279 0.7279 4.5828 4.5828 4.5828 4.5828 7.3242 7.3242 7.3242 7.3242 7.9984 7.9984 7.9984 7.9984 9.7481 9.7481 9.7481 9.7481 10.0313 10.0313 10.0313 10.0313 11.7374 11.7374 11.7374 11.7374 k =-0.0714 0.0181 1.0269 ( 4280 PWs) bands (ev): -0.4431 -0.4431 -0.4431 -0.4431 0.7161 0.7161 0.7161 0.7161 4.6052 4.6052 4.6052 4.6052 7.3286 7.3286 7.3286 7.3286 7.9751 7.9751 7.9751 7.9751 9.7239 9.7239 9.7239 9.7239 10.0099 10.0099 10.0099 10.0099 11.7659 11.7659 11.7659 11.7659 k =-0.0952 0.0241 1.0269 ( 4280 PWs) bands (ev): -0.4357 -0.4357 -0.4357 -0.4357 0.6999 0.6999 0.6999 0.6999 4.6363 4.6363 4.6363 4.6363 7.3346 7.3346 7.3346 7.3346 7.9425 7.9425 7.9425 7.9425 9.6919 9.6919 9.6919 9.6919 9.9827 9.9827 9.9827 9.9827 11.8020 11.8020 11.8020 11.8020 k =-0.1190 0.0301 1.0269 ( 4290 PWs) bands (ev): -0.4262 -0.4262 -0.4262 -0.4262 0.6796 0.6796 0.6796 0.6796 4.6756 4.6756 4.6756 4.6756 7.3422 7.3422 7.3422 7.3422 7.9008 7.9008 7.9008 7.9008 9.6532 9.6532 9.6532 9.6532 9.9518 9.9518 9.9518 9.9518 11.8426 11.8426 11.8426 11.8426 k =-0.1429 0.0361 1.0269 ( 4300 PWs) bands (ev): -0.4147 -0.4147 -0.4147 -0.4147 0.6555 0.6555 0.6555 0.6555 4.7228 4.7228 4.7228 4.7228 7.3512 7.3512 7.3512 7.3512 7.8501 7.8501 7.8501 7.8501 9.6094 9.6094 9.6094 9.6094 9.9190 9.9190 9.9190 9.9190 11.8843 11.8843 11.8843 11.8843 k =-0.1667 0.0422 1.0269 ( 4298 PWs) bands (ev): -0.4012 -0.4012 -0.4012 -0.4012 0.6280 0.6280 0.6280 0.6280 4.7773 4.7773 4.7773 4.7773 7.3615 7.3615 7.3615 7.3615 7.7909 7.7909 7.7909 7.7909 9.5619 9.5619 9.5619 9.5619 9.8861 9.8861 9.8861 9.8861 11.9238 11.9238 11.9238 11.9238 k =-0.1905 0.0482 1.0269 ( 4298 PWs) bands (ev): -0.3858 -0.3858 -0.3858 -0.3858 0.5976 0.5976 0.5976 0.5976 4.8387 4.8387 4.8387 4.8387 7.3728 7.3728 7.3728 7.3728 7.7238 7.7238 7.7238 7.7238 9.5119 9.5119 9.5119 9.5119 9.8546 9.8546 9.8546 9.8546 11.9586 11.9586 11.9586 11.9586 k =-0.2143 0.0542 1.0269 ( 4294 PWs) bands (ev): -0.3685 -0.3685 -0.3685 -0.3685 0.5647 0.5647 0.5647 0.5647 4.9062 4.9062 4.9062 4.9062 7.3848 7.3848 7.3848 7.3848 7.6496 7.6496 7.6496 7.6496 9.4606 9.4606 9.4606 9.4606 9.8253 9.8253 9.8253 9.8253 11.9873 11.9873 11.9873 11.9873 k =-0.2381 0.0602 1.0269 ( 4294 PWs) bands (ev): -0.3495 -0.3495 -0.3495 -0.3495 0.5298 0.5298 0.5298 0.5298 4.9793 4.9793 4.9793 4.9793 7.3964 7.3964 7.3964 7.3964 7.5699 7.5699 7.5699 7.5699 9.4092 9.4092 9.4092 9.4092 9.7989 9.7989 9.7989 9.7989 12.0096 12.0096 12.0096 12.0096 k =-0.2619 0.0663 1.0269 ( 4290 PWs) bands (ev): -0.3288 -0.3288 -0.3288 -0.3288 0.4934 0.4934 0.4934 0.4934 5.0572 5.0572 5.0572 5.0572 7.4034 7.4034 7.4034 7.4034 7.4898 7.4898 7.4898 7.4898 9.3586 9.3586 9.3586 9.3586 9.7758 9.7758 9.7758 9.7758 12.0258 12.0258 12.0258 12.0258 k =-0.2857 0.0723 1.0269 ( 4288 PWs) bands (ev): -0.3067 -0.3067 -0.3067 -0.3067 0.4560 0.4560 0.4560 0.4560 5.1392 5.1392 5.1392 5.1392 7.3696 7.3696 7.3696 7.3696 7.4464 7.4464 7.4464 7.4464 9.3096 9.3096 9.3096 9.3096 9.7560 9.7560 9.7560 9.7560 12.0366 12.0366 12.0366 12.0366 k =-0.3095 0.0783 1.0269 ( 4288 PWs) bands (ev): -0.2834 -0.2834 -0.2834 -0.2834 0.4181 0.4181 0.4181 0.4181 5.2241 5.2241 5.2241 5.2241 7.2841 7.2841 7.2841 7.2841 7.4514 7.4514 7.4514 7.4514 9.2632 9.2632 9.2632 9.2632 9.7394 9.7394 9.7394 9.7394 12.0430 12.0430 12.0430 12.0430 k =-0.3333 0.0843 1.0269 ( 4286 PWs) bands (ev): -0.2591 -0.2591 -0.2591 -0.2591 0.3803 0.3803 0.3803 0.3803 5.3109 5.3109 5.3109 5.3109 7.1898 7.1898 7.1898 7.1898 7.4631 7.4631 7.4631 7.4631 9.2200 9.2200 9.2200 9.2200 9.7258 9.7258 9.7258 9.7258 12.0459 12.0459 12.0459 12.0459 k =-0.3571 0.0904 1.0269 ( 4290 PWs) bands (ev): -0.2342 -0.2342 -0.2342 -0.2342 0.3432 0.3432 0.3432 0.3432 5.3982 5.3982 5.3982 5.3982 7.0942 7.0942 7.0942 7.0942 7.4755 7.4755 7.4755 7.4755 9.1809 9.1809 9.1809 9.1809 9.7148 9.7148 9.7148 9.7148 12.0463 12.0463 12.0463 12.0463 k =-0.3810 0.0964 1.0269 ( 4308 PWs) bands (ev): -0.2095 -0.2095 -0.2095 -0.2095 0.3077 0.3077 0.3077 0.3077 5.4840 5.4840 5.4840 5.4840 7.0005 7.0005 7.0005 7.0005 7.4872 7.4872 7.4872 7.4872 9.1464 9.1464 9.1464 9.1464 9.7062 9.7062 9.7062 9.7062 12.0449 12.0449 12.0449 12.0449 k =-0.4048 0.1024 1.0269 ( 4300 PWs) bands (ev): -0.1856 -0.1856 -0.1856 -0.1856 0.2748 0.2748 0.2748 0.2748 5.5657 5.5657 5.5657 5.5657 6.9119 6.9119 6.9119 6.9119 7.4975 7.4975 7.4975 7.4975 9.1172 9.1172 9.1172 9.1172 9.6997 9.6997 9.6997 9.6997 12.0425 12.0425 12.0425 12.0425 k =-0.4286 0.1084 1.0269 ( 4296 PWs) bands (ev): -0.1638 -0.1638 -0.1638 -0.1638 0.2458 0.2458 0.2458 0.2458 5.6393 5.6393 5.6393 5.6393 6.8326 6.8326 6.8326 6.8326 7.5061 7.5061 7.5061 7.5061 9.0939 9.0939 9.0939 9.0939 9.6949 9.6949 9.6949 9.6949 12.0399 12.0399 12.0399 12.0399 k =-0.4524 0.1145 1.0269 ( 4302 PWs) bands (ev): -0.1458 -0.1458 -0.1458 -0.1458 0.2227 0.2227 0.2227 0.2227 5.6996 5.6996 5.6996 5.6996 6.7681 6.7681 6.7681 6.7681 7.5125 7.5125 7.5125 7.5125 9.0769 9.0769 9.0769 9.0769 9.6917 9.6917 9.6917 9.6917 12.0376 12.0376 12.0376 12.0376 k =-0.4762 0.1205 1.0269 ( 4312 PWs) bands (ev): -0.1337 -0.1337 -0.1337 -0.1337 0.2074 0.2074 0.2074 0.2074 5.7401 5.7401 5.7401 5.7401 6.7250 6.7250 6.7250 6.7250 7.5164 7.5164 7.5164 7.5164 9.0665 9.0665 9.0665 9.0665 9.6899 9.6899 9.6899 9.6899 12.0360 12.0360 12.0360 12.0360 k =-0.5000 0.1265 1.0269 ( 4312 PWs) bands (ev): -0.1294 -0.1294 -0.1294 -0.1294 0.2020 0.2020 0.2020 0.2020 5.7545 5.7545 5.7545 5.7545 6.7098 6.7098 6.7098 6.7098 7.5178 7.5178 7.5178 7.5178 9.0631 9.0631 9.0631 9.0631 9.6892 9.6892 9.6892 9.6892 12.0355 12.0355 12.0355 12.0355 Writing output data file ZrGe2.save init_run : 0.09s CPU 0.22s WALL ( 1 calls) electrons : 177.03s CPU 179.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 177.02s CPU 179.83s 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 : 0.04s CPU 0.04s WALL ( 412 calls) cegterg : 160.17s CPU 162.42s WALL ( 889 calls) Called by sum_band: Called by *egterg: h_psi : 109.68s CPU 111.27s WALL ( 14482 calls) s_psi : 1.89s CPU 1.97s WALL ( 14482 calls) g_psi : 0.28s CPU 0.28s WALL ( 13181 calls) cdiaghg : 49.66s CPU 50.40s WALL ( 13593 calls) cegterg:over : 4.55s CPU 4.65s WALL ( 13181 calls) cegterg:upda : 3.87s CPU 4.00s WALL ( 13181 calls) cegterg:last : 2.22s CPU 2.39s WALL ( 2189 calls) cdiaghg:chol : 2.80s CPU 2.65s WALL ( 13593 calls) cdiaghg:inve : 1.12s CPU 1.18s WALL ( 13593 calls) cdiaghg:para : 2.92s CPU 2.98s WALL ( 27186 calls) Called by h_psi: h_psi:vloc : 102.67s CPU 104.16s WALL ( 14482 calls) h_psi:vnl : 6.79s CPU 6.90s WALL ( 14482 calls) add_vuspsi : 2.77s CPU 2.82s WALL ( 14482 calls) General routines calbec : 3.99s CPU 4.05s WALL ( 14482 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 96.74s CPU 98.19s WALL ( 912956 calls) davcio : 0.21s CPU 0.19s WALL ( 824 calls) Parallel routines fft_scatter : 27.47s CPU 28.25s WALL ( 912971 calls) PWSCF : 3m 9.92s CPU 3m25.12s WALL This run was terminated on: 19: 9:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=