Program PWSCF v.5.1.1 starts on 23Jul2015 at 12:17:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrGe2.save/ file Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 30 9 1109 623 103 Max 46 31 10 1113 641 106 Sum 2159 1487 445 53359 30349 4985 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 = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 268.0000 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: /home/autes/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: /home/autes/Pseudo/Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8b6e13b1b49db219b5566974d4b37ab4 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Zr 12.00 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 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 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 0.0413789 -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 0.1241368 -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 0.1241368 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 0.0413789 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 0.6259960 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 0.0476190), 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 0.2023810), 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 0.6259960 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: 53359 G-vectors FFT dimensions: ( 80, 80, 40) Smooth grid: 30349 G-vectors FFT dimensions: ( 64, 64, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 172, 48) NL pseudopotentials 0.16 Mb ( 86, 124) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.01 Mb ( 1110) G-vector shells 0.00 Mb ( 572) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 172, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./ZrGe2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.3 secs Computing kpt #: 2 total cpu time spent up to now is 44.3 secs Computing kpt #: 3 total cpu time spent up to now is 46.1 secs Computing kpt #: 4 total cpu time spent up to now is 47.9 secs Computing kpt #: 5 total cpu time spent up to now is 49.6 secs Computing kpt #: 6 total cpu time spent up to now is 51.3 secs Computing kpt #: 7 total cpu time spent up to now is 52.9 secs Computing kpt #: 8 total cpu time spent up to now is 54.4 secs Computing kpt #: 9 total cpu time spent up to now is 55.9 secs Computing kpt #: 10 total cpu time spent up to now is 57.8 secs Computing kpt #: 11 total cpu time spent up to now is 59.3 secs Computing kpt #: 12 total cpu time spent up to now is 61.5 secs Computing kpt #: 13 total cpu time spent up to now is 63.1 secs Computing kpt #: 14 total cpu time spent up to now is 64.9 secs Computing kpt #: 15 total cpu time spent up to now is 66.7 secs Computing kpt #: 16 total cpu time spent up to now is 68.4 secs Computing kpt #: 17 total cpu time spent up to now is 71.1 secs Computing kpt #: 18 total cpu time spent up to now is 73.2 secs Computing kpt #: 19 total cpu time spent up to now is 74.9 secs Computing kpt #: 20 total cpu time spent up to now is 76.8 secs Computing kpt #: 21 total cpu time spent up to now is 78.3 secs Computing kpt #: 22 total cpu time spent up to now is 79.8 secs Computing kpt #: 23 total cpu time spent up to now is 81.3 secs Computing kpt #: 24 total cpu time spent up to now is 82.5 secs Computing kpt #: 25 total cpu time spent up to now is 84.1 secs Computing kpt #: 26 total cpu time spent up to now is 85.5 secs Computing kpt #: 27 total cpu time spent up to now is 87.0 secs Computing kpt #: 28 total cpu time spent up to now is 88.8 secs Computing kpt #: 29 total cpu time spent up to now is 90.3 secs Computing kpt #: 30 total cpu time spent up to now is 91.7 secs Computing kpt #: 31 total cpu time spent up to now is 93.7 secs Computing kpt #: 32 total cpu time spent up to now is 95.4 secs Computing kpt #: 33 total cpu time spent up to now is 97.1 secs Computing kpt #: 34 total cpu time spent up to now is 99.3 secs Computing kpt #: 35 total cpu time spent up to now is 100.6 secs Computing kpt #: 36 total cpu time spent up to now is 102.0 secs Computing kpt #: 37 total cpu time spent up to now is 103.5 secs Computing kpt #: 38 total cpu time spent up to now is 105.1 secs Computing kpt #: 39 total cpu time spent up to now is 106.6 secs Computing kpt #: 40 total cpu time spent up to now is 108.2 secs Computing kpt #: 41 total cpu time spent up to now is 109.7 secs Computing kpt #: 42 total cpu time spent up to now is 111.4 secs Computing kpt #: 43 total cpu time spent up to now is 113.1 secs Computing kpt #: 44 total cpu time spent up to now is 115.1 secs Computing kpt #: 45 total cpu time spent up to now is 116.5 secs Computing kpt #: 46 total cpu time spent up to now is 119.4 secs Computing kpt #: 47 total cpu time spent up to now is 122.2 secs Computing kpt #: 48 total cpu time spent up to now is 124.8 secs Computing kpt #: 49 total cpu time spent up to now is 129.0 secs Computing kpt #: 50 total cpu time spent up to now is 131.4 secs Computing kpt #: 51 total cpu time spent up to now is 134.0 secs Computing kpt #: 52 total cpu time spent up to now is 136.2 secs Computing kpt #: 53 total cpu time spent up to now is 138.2 secs Computing kpt #: 54 total cpu time spent up to now is 140.6 secs Computing kpt #: 55 total cpu time spent up to now is 143.6 secs Computing kpt #: 56 total cpu time spent up to now is 145.7 secs Computing kpt #: 57 total cpu time spent up to now is 148.1 secs Computing kpt #: 58 total cpu time spent up to now is 150.4 secs Computing kpt #: 59 total cpu time spent up to now is 152.4 secs Computing kpt #: 60 total cpu time spent up to now is 154.1 secs Computing kpt #: 61 total cpu time spent up to now is 156.8 secs Computing kpt #: 62 total cpu time spent up to now is 159.6 secs Computing kpt #: 63 total cpu time spent up to now is 161.9 secs Computing kpt #: 64 total cpu time spent up to now is 164.6 secs Computing kpt #: 65 total cpu time spent up to now is 167.4 secs Computing kpt #: 66 total cpu time spent up to now is 170.2 secs Computing kpt #: 67 total cpu time spent up to now is 172.7 secs Computing kpt #: 68 total cpu time spent up to now is 174.4 secs Computing kpt #: 69 total cpu time spent up to now is 176.2 secs Computing kpt #: 70 total cpu time spent up to now is 178.1 secs Computing kpt #: 71 total cpu time spent up to now is 179.7 secs Computing kpt #: 72 total cpu time spent up to now is 181.3 secs Computing kpt #: 73 total cpu time spent up to now is 182.8 secs Computing kpt #: 74 total cpu time spent up to now is 184.3 secs Computing kpt #: 75 total cpu time spent up to now is 185.8 secs Computing kpt #: 76 total cpu time spent up to now is 187.5 secs Computing kpt #: 77 total cpu time spent up to now is 189.2 secs Computing kpt #: 78 total cpu time spent up to now is 190.8 secs Computing kpt #: 79 total cpu time spent up to now is 192.5 secs Computing kpt #: 80 total cpu time spent up to now is 194.1 secs Computing kpt #: 81 total cpu time spent up to now is 195.6 secs Computing kpt #: 82 total cpu time spent up to now is 196.9 secs Computing kpt #: 83 total cpu time spent up to now is 198.5 secs Computing kpt #: 84 total cpu time spent up to now is 200.0 secs Computing kpt #: 85 total cpu time spent up to now is 201.6 secs Computing kpt #: 86 total cpu time spent up to now is 203.1 secs Computing kpt #: 87 total cpu time spent up to now is 204.5 secs Computing kpt #: 88 total cpu time spent up to now is 206.1 secs Computing kpt #: 89 total cpu time spent up to now is 207.6 secs Computing kpt #: 90 total cpu time spent up to now is 209.1 secs Computing kpt #: 91 total cpu time spent up to now is 210.7 secs Computing kpt #: 92 total cpu time spent up to now is 212.5 secs Computing kpt #: 93 total cpu time spent up to now is 214.2 secs Computing kpt #: 94 total cpu time spent up to now is 215.7 secs Computing kpt #: 95 total cpu time spent up to now is 217.2 secs Computing kpt #: 96 total cpu time spent up to now is 218.9 secs Computing kpt #: 97 total cpu time spent up to now is 220.4 secs Computing kpt #: 98 total cpu time spent up to now is 222.1 secs Computing kpt #: 99 total cpu time spent up to now is 223.6 secs Computing kpt #: 100 total cpu time spent up to now is 225.4 secs Computing kpt #: 101 total cpu time spent up to now is 228.1 secs Computing kpt #: 102 total cpu time spent up to now is 229.5 secs Computing kpt #: 103 total cpu time spent up to now is 231.0 secs Computing kpt #: 104 total cpu time spent up to now is 232.5 secs Computing kpt #: 105 total cpu time spent up to now is 234.4 secs Computing kpt #: 106 total cpu time spent up to now is 236.6 secs Computing kpt #: 107 total cpu time spent up to now is 238.5 secs Computing kpt #: 108 total cpu time spent up to now is 240.0 secs Computing kpt #: 109 total cpu time spent up to now is 241.5 secs Computing kpt #: 110 total cpu time spent up to now is 243.6 secs Computing kpt #: 111 total cpu time spent up to now is 245.4 secs Computing kpt #: 112 total cpu time spent up to now is 247.0 secs Computing kpt #: 113 total cpu time spent up to now is 249.1 secs Computing kpt #: 114 total cpu time spent up to now is 250.6 secs Computing kpt #: 115 total cpu time spent up to now is 252.2 secs Computing kpt #: 116 total cpu time spent up to now is 253.9 secs Computing kpt #: 117 total cpu time spent up to now is 255.5 secs Computing kpt #: 118 total cpu time spent up to now is 257.0 secs Computing kpt #: 119 total cpu time spent up to now is 258.4 secs Computing kpt #: 120 total cpu time spent up to now is 259.9 secs Computing kpt #: 121 total cpu time spent up to now is 261.4 secs Computing kpt #: 122 total cpu time spent up to now is 262.9 secs Computing kpt #: 123 total cpu time spent up to now is 264.3 secs Computing kpt #: 124 total cpu time spent up to now is 266.2 secs Computing kpt #: 125 total cpu time spent up to now is 267.7 secs Computing kpt #: 126 total cpu time spent up to now is 269.1 secs Computing kpt #: 127 total cpu time spent up to now is 270.4 secs Computing kpt #: 128 total cpu time spent up to now is 272.3 secs Computing kpt #: 129 total cpu time spent up to now is 273.7 secs Computing kpt #: 130 total cpu time spent up to now is 275.0 secs Computing kpt #: 131 total cpu time spent up to now is 276.3 secs Computing kpt #: 132 total cpu time spent up to now is 278.0 secs Computing kpt #: 133 total cpu time spent up to now is 279.5 secs Computing kpt #: 134 total cpu time spent up to now is 281.3 secs Computing kpt #: 135 total cpu time spent up to now is 282.6 secs Computing kpt #: 136 total cpu time spent up to now is 283.8 secs Computing kpt #: 137 total cpu time spent up to now is 285.3 secs Computing kpt #: 138 total cpu time spent up to now is 287.6 secs Computing kpt #: 139 total cpu time spent up to now is 289.2 secs Computing kpt #: 140 total cpu time spent up to now is 290.8 secs Computing kpt #: 141 total cpu time spent up to now is 292.7 secs Computing kpt #: 142 total cpu time spent up to now is 294.8 secs Computing kpt #: 143 total cpu time spent up to now is 297.0 secs Computing kpt #: 144 total cpu time spent up to now is 299.2 secs Computing kpt #: 145 total cpu time spent up to now is 301.6 secs Computing kpt #: 146 total cpu time spent up to now is 303.3 secs Computing kpt #: 147 total cpu time spent up to now is 305.0 secs Computing kpt #: 148 total cpu time spent up to now is 306.7 secs Computing kpt #: 149 total cpu time spent up to now is 308.3 secs Computing kpt #: 150 total cpu time spent up to now is 311.2 secs Computing kpt #: 151 total cpu time spent up to now is 312.7 secs Computing kpt #: 152 total cpu time spent up to now is 314.9 secs Computing kpt #: 153 total cpu time spent up to now is 316.3 secs Computing kpt #: 154 total cpu time spent up to now is 317.9 secs Computing kpt #: 155 total cpu time spent up to now is 319.3 secs Computing kpt #: 156 total cpu time spent up to now is 321.2 secs Computing kpt #: 157 total cpu time spent up to now is 322.8 secs Computing kpt #: 158 total cpu time spent up to now is 324.5 secs Computing kpt #: 159 total cpu time spent up to now is 326.5 secs Computing kpt #: 160 total cpu time spent up to now is 328.1 secs Computing kpt #: 161 total cpu time spent up to now is 330.2 secs Computing kpt #: 162 total cpu time spent up to now is 332.4 secs Computing kpt #: 163 total cpu time spent up to now is 334.5 secs Computing kpt #: 164 total cpu time spent up to now is 336.5 secs Computing kpt #: 165 total cpu time spent up to now is 339.1 secs Computing kpt #: 166 total cpu time spent up to now is 341.3 secs Computing kpt #: 167 total cpu time spent up to now is 343.3 secs Computing kpt #: 168 total cpu time spent up to now is 345.4 secs Computing kpt #: 169 total cpu time spent up to now is 347.7 secs Computing kpt #: 170 total cpu time spent up to now is 349.4 secs Computing kpt #: 171 total cpu time spent up to now is 351.5 secs Computing kpt #: 172 total cpu time spent up to now is 353.2 secs Computing kpt #: 173 total cpu time spent up to now is 354.8 secs Computing kpt #: 174 total cpu time spent up to now is 356.5 secs Computing kpt #: 175 total cpu time spent up to now is 358.6 secs Computing kpt #: 176 total cpu time spent up to now is 360.8 secs Computing kpt #: 177 total cpu time spent up to now is 362.9 secs Computing kpt #: 178 total cpu time spent up to now is 364.5 secs Computing kpt #: 179 total cpu time spent up to now is 366.0 secs Computing kpt #: 180 total cpu time spent up to now is 367.4 secs Computing kpt #: 181 total cpu time spent up to now is 368.9 secs Computing kpt #: 182 total cpu time spent up to now is 370.3 secs Computing kpt #: 183 total cpu time spent up to now is 371.8 secs Computing kpt #: 184 total cpu time spent up to now is 373.5 secs Computing kpt #: 185 total cpu time spent up to now is 375.7 secs Computing kpt #: 186 total cpu time spent up to now is 377.2 secs Computing kpt #: 187 total cpu time spent up to now is 378.7 secs Computing kpt #: 188 total cpu time spent up to now is 380.3 secs Computing kpt #: 189 total cpu time spent up to now is 382.1 secs Computing kpt #: 190 total cpu time spent up to now is 384.1 secs Computing kpt #: 191 total cpu time spent up to now is 387.2 secs Computing kpt #: 192 total cpu time spent up to now is 388.8 secs Computing kpt #: 193 total cpu time spent up to now is 390.3 secs Computing kpt #: 194 total cpu time spent up to now is 391.8 secs Computing kpt #: 195 total cpu time spent up to now is 393.8 secs Computing kpt #: 196 total cpu time spent up to now is 395.9 secs Computing kpt #: 197 total cpu time spent up to now is 398.1 secs Computing kpt #: 198 total cpu time spent up to now is 399.7 secs Computing kpt #: 199 total cpu time spent up to now is 401.3 secs Computing kpt #: 200 total cpu time spent up to now is 403.0 secs Computing kpt #: 201 total cpu time spent up to now is 404.7 secs Computing kpt #: 202 total cpu time spent up to now is 406.9 secs Computing kpt #: 203 total cpu time spent up to now is 409.1 secs Computing kpt #: 204 total cpu time spent up to now is 411.8 secs Computing kpt #: 205 total cpu time spent up to now is 414.1 secs Computing kpt #: 206 total cpu time spent up to now is 416.4 secs Computing kpt #: 207 total cpu time spent up to now is 418.8 secs Computing kpt #: 208 total cpu time spent up to now is 421.2 secs Computing kpt #: 209 total cpu time spent up to now is 423.0 secs Computing kpt #: 210 total cpu time spent up to now is 425.6 secs Computing kpt #: 211 total cpu time spent up to now is 427.2 secs Computing kpt #: 212 total cpu time spent up to now is 428.8 secs Computing kpt #: 213 total cpu time spent up to now is 430.2 secs Computing kpt #: 214 total cpu time spent up to now is 431.7 secs Computing kpt #: 215 total cpu time spent up to now is 433.1 secs Computing kpt #: 216 total cpu time spent up to now is 434.4 secs Computing kpt #: 217 total cpu time spent up to now is 435.9 secs Computing kpt #: 218 total cpu time spent up to now is 438.9 secs Computing kpt #: 219 total cpu time spent up to now is 440.2 secs Computing kpt #: 220 total cpu time spent up to now is 441.5 secs Computing kpt #: 221 total cpu time spent up to now is 442.8 secs Computing kpt #: 222 total cpu time spent up to now is 444.1 secs Computing kpt #: 223 total cpu time spent up to now is 445.4 secs Computing kpt #: 224 total cpu time spent up to now is 446.8 secs Computing kpt #: 225 total cpu time spent up to now is 448.2 secs Computing kpt #: 226 total cpu time spent up to now is 449.7 secs Computing kpt #: 227 total cpu time spent up to now is 451.3 secs Computing kpt #: 228 total cpu time spent up to now is 453.0 secs Computing kpt #: 229 total cpu time spent up to now is 455.2 secs Computing kpt #: 230 total cpu time spent up to now is 457.0 secs Computing kpt #: 231 total cpu time spent up to now is 458.5 secs Computing kpt #: 232 total cpu time spent up to now is 459.9 secs Computing kpt #: 233 total cpu time spent up to now is 461.3 secs Computing kpt #: 234 total cpu time spent up to now is 462.6 secs Computing kpt #: 235 total cpu time spent up to now is 463.9 secs Computing kpt #: 236 total cpu time spent up to now is 465.4 secs Computing kpt #: 237 total cpu time spent up to now is 467.0 secs Computing kpt #: 238 total cpu time spent up to now is 469.0 secs Computing kpt #: 239 total cpu time spent up to now is 470.6 secs Computing kpt #: 240 total cpu time spent up to now is 472.2 secs Computing kpt #: 241 total cpu time spent up to now is 473.4 secs Computing kpt #: 242 total cpu time spent up to now is 474.6 secs Computing kpt #: 243 total cpu time spent up to now is 475.8 secs Computing kpt #: 244 total cpu time spent up to now is 477.1 secs Computing kpt #: 245 total cpu time spent up to now is 478.3 secs Computing kpt #: 246 total cpu time spent up to now is 479.6 secs Computing kpt #: 247 total cpu time spent up to now is 481.3 secs Computing kpt #: 248 total cpu time spent up to now is 482.8 secs Computing kpt #: 249 total cpu time spent up to now is 484.4 secs Computing kpt #: 250 total cpu time spent up to now is 485.9 secs Computing kpt #: 251 total cpu time spent up to now is 487.3 secs Computing kpt #: 252 total cpu time spent up to now is 488.8 secs Computing kpt #: 253 total cpu time spent up to now is 490.2 secs Computing kpt #: 254 total cpu time spent up to now is 491.7 secs Computing kpt #: 255 total cpu time spent up to now is 493.9 secs Computing kpt #: 256 total cpu time spent up to now is 495.2 secs Computing kpt #: 257 total cpu time spent up to now is 496.5 secs Computing kpt #: 258 total cpu time spent up to now is 497.9 secs Computing kpt #: 259 total cpu time spent up to now is 499.3 secs Computing kpt #: 260 total cpu time spent up to now is 501.0 secs Computing kpt #: 261 total cpu time spent up to now is 502.7 secs Computing kpt #: 262 total cpu time spent up to now is 504.2 secs Computing kpt #: 263 total cpu time spent up to now is 505.8 secs Computing kpt #: 264 total cpu time spent up to now is 508.3 secs Computing kpt #: 265 total cpu time spent up to now is 510.9 secs Computing kpt #: 266 total cpu time spent up to now is 513.3 secs Computing kpt #: 267 total cpu time spent up to now is 515.9 secs Computing kpt #: 268 total cpu time spent up to now is 518.0 secs Computing kpt #: 269 total cpu time spent up to now is 519.6 secs Computing kpt #: 270 total cpu time spent up to now is 521.1 secs Computing kpt #: 271 total cpu time spent up to now is 522.5 secs Computing kpt #: 272 total cpu time spent up to now is 524.2 secs Computing kpt #: 273 total cpu time spent up to now is 526.0 secs Computing kpt #: 274 total cpu time spent up to now is 527.9 secs Computing kpt #: 275 total cpu time spent up to now is 529.7 secs Computing kpt #: 276 total cpu time spent up to now is 531.7 secs Computing kpt #: 277 total cpu time spent up to now is 533.0 secs Computing kpt #: 278 total cpu time spent up to now is 534.3 secs Computing kpt #: 279 total cpu time spent up to now is 535.8 secs Computing kpt #: 280 total cpu time spent up to now is 537.6 secs Computing kpt #: 281 total cpu time spent up to now is 539.1 secs Computing kpt #: 282 total cpu time spent up to now is 540.6 secs Computing kpt #: 283 total cpu time spent up to now is 541.9 secs Computing kpt #: 284 total cpu time spent up to now is 543.2 secs Computing kpt #: 285 total cpu time spent up to now is 544.5 secs Computing kpt #: 286 total cpu time spent up to now is 546.0 secs Computing kpt #: 287 total cpu time spent up to now is 547.7 secs Computing kpt #: 288 total cpu time spent up to now is 549.6 secs Computing kpt #: 289 total cpu time spent up to now is 551.5 secs Computing kpt #: 290 total cpu time spent up to now is 553.5 secs Computing kpt #: 291 total cpu time spent up to now is 555.1 secs Computing kpt #: 292 total cpu time spent up to now is 556.6 secs Computing kpt #: 293 total cpu time spent up to now is 558.1 secs Computing kpt #: 294 total cpu time spent up to now is 559.5 secs Computing kpt #: 295 total cpu time spent up to now is 561.2 secs Computing kpt #: 296 total cpu time spent up to now is 562.8 secs Computing kpt #: 297 total cpu time spent up to now is 564.6 secs Computing kpt #: 298 total cpu time spent up to now is 566.3 secs Computing kpt #: 299 total cpu time spent up to now is 568.1 secs Computing kpt #: 300 total cpu time spent up to now is 569.6 secs Computing kpt #: 301 total cpu time spent up to now is 571.1 secs Computing kpt #: 302 total cpu time spent up to now is 572.7 secs Computing kpt #: 303 total cpu time spent up to now is 574.3 secs Computing kpt #: 304 total cpu time spent up to now is 575.9 secs Computing kpt #: 305 total cpu time spent up to now is 578.5 secs Computing kpt #: 306 total cpu time spent up to now is 580.1 secs Computing kpt #: 307 total cpu time spent up to now is 581.6 secs Computing kpt #: 308 total cpu time spent up to now is 583.1 secs Computing kpt #: 309 total cpu time spent up to now is 584.6 secs Computing kpt #: 310 total cpu time spent up to now is 586.1 secs Computing kpt #: 311 total cpu time spent up to now is 588.2 secs Computing kpt #: 312 total cpu time spent up to now is 589.7 secs Computing kpt #: 313 total cpu time spent up to now is 591.7 secs Computing kpt #: 314 total cpu time spent up to now is 593.5 secs Computing kpt #: 315 total cpu time spent up to now is 595.4 secs Computing kpt #: 316 total cpu time spent up to now is 597.4 secs Computing kpt #: 317 total cpu time spent up to now is 598.8 secs Computing kpt #: 318 total cpu time spent up to now is 600.3 secs Computing kpt #: 319 total cpu time spent up to now is 601.7 secs Computing kpt #: 320 total cpu time spent up to now is 603.4 secs Computing kpt #: 321 total cpu time spent up to now is 605.0 secs Computing kpt #: 322 total cpu time spent up to now is 607.0 secs Computing kpt #: 323 total cpu time spent up to now is 609.0 secs Computing kpt #: 324 total cpu time spent up to now is 610.5 secs Computing kpt #: 325 total cpu time spent up to now is 612.0 secs Computing kpt #: 326 total cpu time spent up to now is 613.4 secs Computing kpt #: 327 total cpu time spent up to now is 614.8 secs Computing kpt #: 328 total cpu time spent up to now is 616.4 secs Computing kpt #: 329 total cpu time spent up to now is 619.3 secs Computing kpt #: 330 total cpu time spent up to now is 620.8 secs Computing kpt #: 331 total cpu time spent up to now is 622.3 secs Computing kpt #: 332 total cpu time spent up to now is 624.5 secs Computing kpt #: 333 total cpu time spent up to now is 626.3 secs Computing kpt #: 334 total cpu time spent up to now is 628.6 secs Computing kpt #: 335 total cpu time spent up to now is 631.2 secs Computing kpt #: 336 total cpu time spent up to now is 633.2 secs Computing kpt #: 337 total cpu time spent up to now is 635.3 secs Computing kpt #: 338 total cpu time spent up to now is 637.1 secs Computing kpt #: 339 total cpu time spent up to now is 639.3 secs Computing kpt #: 340 total cpu time spent up to now is 640.9 secs Computing kpt #: 341 total cpu time spent up to now is 642.6 secs Computing kpt #: 342 total cpu time spent up to now is 644.6 secs Computing kpt #: 343 total cpu time spent up to now is 646.2 secs Computing kpt #: 344 total cpu time spent up to now is 647.8 secs Computing kpt #: 345 total cpu time spent up to now is 649.4 secs Computing kpt #: 346 total cpu time spent up to now is 651.1 secs Computing kpt #: 347 total cpu time spent up to now is 653.6 secs Computing kpt #: 348 total cpu time spent up to now is 655.7 secs Computing kpt #: 349 total cpu time spent up to now is 657.3 secs Computing kpt #: 350 total cpu time spent up to now is 658.9 secs Computing kpt #: 351 total cpu time spent up to now is 660.6 secs Computing kpt #: 352 total cpu time spent up to now is 662.4 secs Computing kpt #: 353 total cpu time spent up to now is 664.9 secs Computing kpt #: 354 total cpu time spent up to now is 666.8 secs Computing kpt #: 355 total cpu time spent up to now is 668.4 secs Computing kpt #: 356 total cpu time spent up to now is 669.8 secs Computing kpt #: 357 total cpu time spent up to now is 671.7 secs Computing kpt #: 358 total cpu time spent up to now is 673.1 secs Computing kpt #: 359 total cpu time spent up to now is 674.5 secs Computing kpt #: 360 total cpu time spent up to now is 675.9 secs Computing kpt #: 361 total cpu time spent up to now is 677.2 secs Computing kpt #: 362 total cpu time spent up to now is 678.4 secs Computing kpt #: 363 total cpu time spent up to now is 680.3 secs Computing kpt #: 364 total cpu time spent up to now is 681.6 secs Computing kpt #: 365 total cpu time spent up to now is 682.9 secs Computing kpt #: 366 total cpu time spent up to now is 684.6 secs Computing kpt #: 367 total cpu time spent up to now is 686.0 secs Computing kpt #: 368 total cpu time spent up to now is 687.5 secs Computing kpt #: 369 total cpu time spent up to now is 690.1 secs Computing kpt #: 370 total cpu time spent up to now is 691.8 secs Computing kpt #: 371 total cpu time spent up to now is 693.4 secs Computing kpt #: 372 total cpu time spent up to now is 694.9 secs Computing kpt #: 373 total cpu time spent up to now is 696.3 secs Computing kpt #: 374 total cpu time spent up to now is 697.8 secs Computing kpt #: 375 total cpu time spent up to now is 699.2 secs Computing kpt #: 376 total cpu time spent up to now is 700.9 secs Computing kpt #: 377 total cpu time spent up to now is 702.5 secs Computing kpt #: 378 total cpu time spent up to now is 704.0 secs Computing kpt #: 379 total cpu time spent up to now is 705.4 secs Computing kpt #: 380 total cpu time spent up to now is 707.0 secs Computing kpt #: 381 total cpu time spent up to now is 709.1 secs Computing kpt #: 382 total cpu time spent up to now is 710.9 secs Computing kpt #: 383 total cpu time spent up to now is 712.7 secs Computing kpt #: 384 total cpu time spent up to now is 714.2 secs Computing kpt #: 385 total cpu time spent up to now is 715.6 secs Computing kpt #: 386 total cpu time spent up to now is 717.1 secs Computing kpt #: 387 total cpu time spent up to now is 718.7 secs Computing kpt #: 388 total cpu time spent up to now is 720.5 secs Computing kpt #: 389 total cpu time spent up to now is 722.0 secs Computing kpt #: 390 total cpu time spent up to now is 723.6 secs Computing kpt #: 391 total cpu time spent up to now is 725.8 secs Computing kpt #: 392 total cpu time spent up to now is 727.4 secs Computing kpt #: 393 total cpu time spent up to now is 729.1 secs Computing kpt #: 394 total cpu time spent up to now is 731.1 secs Computing kpt #: 395 total cpu time spent up to now is 733.1 secs Computing kpt #: 396 total cpu time spent up to now is 734.9 secs Computing kpt #: 397 total cpu time spent up to now is 736.5 secs Computing kpt #: 398 total cpu time spent up to now is 738.2 secs Computing kpt #: 399 total cpu time spent up to now is 740.0 secs Computing kpt #: 400 total cpu time spent up to now is 741.9 secs Computing kpt #: 401 total cpu time spent up to now is 743.5 secs Computing kpt #: 402 total cpu time spent up to now is 745.1 secs Computing kpt #: 403 total cpu time spent up to now is 746.6 secs Computing kpt #: 404 total cpu time spent up to now is 748.2 secs Computing kpt #: 405 total cpu time spent up to now is 749.8 secs Computing kpt #: 406 total cpu time spent up to now is 751.4 secs Computing kpt #: 407 total cpu time spent up to now is 753.2 secs Computing kpt #: 408 total cpu time spent up to now is 754.9 secs Computing kpt #: 409 total cpu time spent up to now is 757.1 secs Computing kpt #: 410 total cpu time spent up to now is 758.7 secs Computing kpt #: 411 total cpu time spent up to now is 760.3 secs Computing kpt #: 412 total cpu time spent up to now is 761.8 secs ethr = 2.50E-11, avg # of iterations = 29.6 total cpu time spent up to now is 762.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3795 PWs) bands (ev): -36.8723 -36.8723 -36.8631 -36.8631 -16.1713 -16.1713 -16.1298 -16.1298 -14.4753 -14.4753 -14.4018 -14.4018 -14.3859 -14.3859 -14.3564 -14.3564 -0.5188 -0.5188 1.1863 1.1863 3.6192 3.6192 7.8576 7.8576 9.2720 9.2720 9.2994 9.2994 9.4023 9.4023 9.4322 9.4322 9.9654 9.9654 10.1243 10.1243 10.1326 10.1326 11.9153 11.9153 13.4210 13.4210 13.5741 13.5741 13.7188 13.7188 13.9947 13.9947 k = 0.0059 0.0234-0.0000 ( 3793 PWs) bands (ev): -36.8722 -36.8722 -36.8631 -36.8631 -16.1713 -16.1713 -16.1299 -16.1299 -14.4753 -14.4753 -14.4019 -14.4019 -14.3860 -14.3860 -14.3564 -14.3564 -0.5172 -0.5172 1.1869 1.1869 3.6208 3.6208 7.8455 7.8455 9.2715 9.2715 9.2985 9.2985 9.3884 9.3884 9.4567 9.4567 9.9449 9.9449 10.1298 10.1298 10.1429 10.1429 11.9175 11.9175 13.4227 13.4227 13.5666 13.5666 13.7118 13.7118 13.9896 13.9896 k = 0.0118 0.0467-0.0000 ( 3797 PWs) bands (ev): -36.8722 -36.8722 -36.8631 -36.8631 -16.1714 -16.1714 -16.1300 -16.1300 -14.4753 -14.4753 -14.4023 -14.4023 -14.3862 -14.3862 -14.3563 -14.3563 -0.5126 -0.5126 1.1889 1.1889 3.6258 3.6258 7.8099 7.8099 9.2702 9.2702 9.2960 9.2960 9.3758 9.3758 9.4999 9.4999 9.8982 9.8982 10.1239 10.1239 10.1812 10.1812 11.9242 11.9242 13.4278 13.4278 13.5415 13.5415 13.6957 13.6957 13.9739 13.9739 k = 0.0177 0.0701-0.0000 ( 3797 PWs) bands (ev): -36.8722 -36.8722 -36.8630 -36.8630 -16.1716 -16.1716 -16.1303 -16.1303 -14.4754 -14.4754 -14.4030 -14.4030 -14.3866 -14.3866 -14.3563 -14.3563 -0.5049 -0.5049 1.1921 1.1921 3.6340 3.6340 7.7528 7.7528 9.2685 9.2685 9.2929 9.2929 9.3721 9.3721 9.5506 9.5506 9.8412 9.8412 10.1139 10.1139 10.2252 10.2252 11.9349 11.9349 13.4352 13.4352 13.4953 13.4953 13.6799 13.6799 13.9464 13.9464 k = 0.0236 0.0934-0.0000 ( 3801 PWs) bands (ev): -36.8721 -36.8721 -36.8630 -36.8630 -16.1718 -16.1718 -16.1306 -16.1306 -14.4756 -14.4756 -14.4039 -14.4039 -14.3871 -14.3871 -14.3562 -14.3562 -0.4940 -0.4940 1.1967 1.1967 3.6455 3.6455 7.6767 7.6767 9.2672 9.2672 9.2898 9.2898 9.3755 9.3755 9.6057 9.6057 9.7801 9.7801 10.1000 10.1000 10.2697 10.2697 11.9493 11.9493 13.4171 13.4171 13.4569 13.4569 13.6689 13.6689 13.9066 13.9066 k = 0.0296 0.1168-0.0000 ( 3799 PWs) bands (ev): -36.8720 -36.8720 -36.8629 -36.8629 -16.1721 -16.1721 -16.1311 -16.1311 -14.4757 -14.4757 -14.4051 -14.4051 -14.3877 -14.3877 -14.3561 -14.3561 -0.4801 -0.4801 1.2026 1.2026 3.6603 3.6603 7.5847 7.5847 9.2656 9.2656 9.2875 9.2875 9.3842 9.3842 9.6614 9.6614 9.7196 9.7196 10.0825 10.0825 10.3131 10.3131 11.9667 11.9667 13.3370 13.3370 13.4685 13.4685 13.6616 13.6616 13.8552 13.8552 k = 0.0355 0.1402-0.0000 ( 3799 PWs) bands (ev): -36.8719 -36.8719 -36.8628 -36.8628 -16.1724 -16.1724 -16.1316 -16.1316 -14.4760 -14.4760 -14.4066 -14.4066 -14.3884 -14.3884 -14.3560 -14.3560 -0.4631 -0.4631 1.2097 1.2097 3.6783 3.6783 7.4794 7.4794 9.2585 9.2585 9.2892 9.2892 9.3970 9.3970 9.6541 9.6541 9.7247 9.7247 10.0616 10.0616 10.3548 10.3548 11.9862 11.9862 13.2438 13.2438 13.4867 13.4867 13.6560 13.6560 13.7944 13.7944 k = 0.0414 0.1635-0.0000 ( 3803 PWs) bands (ev): -36.8718 -36.8718 -36.8627 -36.8627 -16.1729 -16.1729 -16.1323 -16.1323 -14.4762 -14.4762 -14.4082 -14.4082 -14.3893 -14.3893 -14.3558 -14.3558 -0.4431 -0.4431 1.2180 1.2180 3.6994 3.6994 7.3635 7.3635 9.2405 9.2405 9.2969 9.2969 9.4134 9.4134 9.6014 9.6014 9.7801 9.7801 10.0376 10.0376 10.3945 10.3945 12.0070 12.0070 13.1443 13.1443 13.5081 13.5081 13.6488 13.6488 13.7283 13.7283 k = 0.0473 0.1869-0.0000 ( 3801 PWs) bands (ev): -36.8717 -36.8717 -36.8626 -36.8626 -16.1733 -16.1733 -16.1330 -16.1330 -14.4766 -14.4766 -14.4102 -14.4102 -14.3902 -14.3902 -14.3557 -14.3557 -0.4201 -0.4201 1.2276 1.2276 3.7237 3.7237 7.2389 7.2389 9.2083 9.2083 9.3094 9.3094 9.4329 9.4329 9.5583 9.5583 9.8342 9.8342 10.0109 10.0109 10.4324 10.4324 12.0280 12.0280 13.0414 13.0414 13.5316 13.5316 13.6241 13.6241 13.6754 13.6754 k = 0.0532 0.2102-0.0000 ( 3797 PWs) bands (ev): -36.8714 -36.8714 -36.8625 -36.8625 -16.1739 -16.1739 -16.1338 -16.1338 -14.4770 -14.4770 -14.4123 -14.4123 -14.3912 -14.3912 -14.3554 -14.3554 -0.3941 -0.3941 1.2384 1.2384 3.7511 3.7511 7.1076 7.1076 9.1600 9.1600 9.3256 9.3256 9.4555 9.4555 9.5286 9.5286 9.8844 9.8844 9.9824 9.9824 10.4685 10.4685 12.0483 12.0483 12.9370 12.9370 13.5453 13.5453 13.5708 13.5708 13.6603 13.6603 k = 0.0591 0.2336-0.0000 ( 3797 PWs) bands (ev): -36.8713 -36.8713 -36.8623 -36.8623 -16.1745 -16.1745 -16.1347 -16.1347 -14.4775 -14.4775 -14.4147 -14.4147 -14.3923 -14.3923 -14.3552 -14.3552 -0.3651 -0.3651 1.2504 1.2504 3.7815 3.7815 6.9708 6.9708 9.0965 9.0965 9.3449 9.3449 9.4808 9.4808 9.5120 9.5120 9.9238 9.9238 9.9585 9.9585 10.5028 10.5028 12.0669 12.0669 12.8321 12.8321 13.4780 13.4780 13.5884 13.5884 13.6567 13.6567 k = 0.0650 0.2570-0.0000 ( 3797 PWs) bands (ev): -36.8711 -36.8711 -36.8621 -36.8621 -16.1751 -16.1751 -16.1357 -16.1357 -14.4781 -14.4781 -14.4173 -14.4173 -14.3934 -14.3934 -14.3549 -14.3549 -0.3331 -0.3331 1.2635 1.2635 3.8149 3.8149 6.8299 6.8299 9.0212 9.0212 9.3670 9.3670 9.5043 9.5043 9.5102 9.5102 9.9100 9.9100 9.9812 9.9812 10.5355 10.5355 12.0827 12.0827 12.7276 12.7276 13.4015 13.4015 13.6124 13.6124 13.6588 13.6588 k = 0.0709 0.2803-0.0000 ( 3795 PWs) bands (ev): -36.8709 -36.8709 -36.8620 -36.8620 -16.1758 -16.1758 -16.1368 -16.1368 -14.4787 -14.4787 -14.4200 -14.4200 -14.3945 -14.3945 -14.3546 -14.3546 -0.2983 -0.2983 1.2777 1.2777 3.8511 3.8511 6.6859 6.6859 8.9374 8.9374 9.3914 9.3914 9.5056 9.5056 9.5402 9.5402 9.8765 9.8765 10.0168 10.0168 10.5667 10.5667 12.0950 12.0950 12.6242 12.6242 13.3278 13.3278 13.6253 13.6253 13.6740 13.6740 k = 0.0768 0.3037-0.0000 ( 3803 PWs) bands (ev): -36.8707 -36.8707 -36.8618 -36.8618 -16.1765 -16.1765 -16.1379 -16.1379 -14.4795 -14.4795 -14.4230 -14.4230 -14.3957 -14.3957 -14.3543 -14.3543 -0.2606 -0.2606 1.2930 1.2930 3.8901 3.8901 6.5395 6.5395 8.8477 8.8477 9.4178 9.4178 9.5106 9.5106 9.5735 9.5735 9.8407 9.8407 10.0480 10.0480 10.5963 10.5963 12.1033 12.1033 12.5224 12.5224 13.2595 13.2595 13.6258 13.6258 13.7022 13.7022 k = 0.0828 0.3271-0.0000 ( 3805 PWs) bands (ev): -36.8705 -36.8705 -36.8616 -36.8616 -16.1773 -16.1773 -16.1391 -16.1391 -14.4804 -14.4804 -14.4261 -14.4261 -14.3967 -14.3967 -14.3539 -14.3539 -0.2201 -0.2201 1.3093 1.3093 3.9317 3.9317 6.3915 6.3915 8.7540 8.7540 9.4460 9.4460 9.5184 9.5184 9.6089 9.6089 9.8043 9.8043 10.0731 10.0731 10.6247 10.6247 12.1074 12.1074 12.4224 12.4224 13.1986 13.1986 13.6213 13.6213 13.7350 13.7350 k = 0.0887 0.3504-0.0000 ( 3801 PWs) bands (ev): -36.8703 -36.8703 -36.8613 -36.8613 -16.1781 -16.1781 -16.1403 -16.1403 -14.4814 -14.4814 -14.4293 -14.4293 -14.3978 -14.3978 -14.3536 -14.3536 -0.1769 -0.1769 1.3266 1.3266 3.9758 3.9758 6.2426 6.2426 8.6575 8.6575 9.4755 9.4755 9.5277 9.5277 9.6452 9.6452 9.7691 9.7691 10.0914 10.0914 10.6518 10.6518 12.1076 12.1076 12.3247 12.3247 13.1462 13.1462 13.6141 13.6141 13.7670 13.7670 k = 0.0946 0.3738-0.0000 ( 3801 PWs) bands (ev): -36.8701 -36.8701 -36.8611 -36.8611 -16.1790 -16.1790 -16.1417 -16.1417 -14.4825 -14.4825 -14.4327 -14.4327 -14.3988 -14.3988 -14.3532 -14.3532 -0.1309 -0.1309 1.3448 1.3448 4.0222 4.0222 6.0933 6.0933 8.5591 8.5591 9.5056 9.5056 9.5377 9.5377 9.6754 9.6754 9.7427 9.7427 10.1023 10.1023 10.6778 10.6778 12.1044 12.1044 12.2295 12.2295 13.1032 13.1032 13.6049 13.6049 13.7854 13.7854 k = 0.1005 0.3971-0.0000 ( 3805 PWs) bands (ev): -36.8698 -36.8698 -36.8609 -36.8609 -16.1798 -16.1798 -16.1430 -16.1430 -14.4838 -14.4838 -14.4361 -14.4361 -14.3997 -14.3997 -14.3527 -14.3527 -0.0823 -0.0823 1.3640 1.3640 4.0706 4.0706 5.9442 5.9442 8.4594 8.4594 9.5342 9.5342 9.5486 9.5486 9.6718 9.6718 9.7540 9.7540 10.1053 10.1053 10.7030 10.7030 12.0975 12.0975 12.1391 12.1391 13.0698 13.0698 13.5937 13.5937 13.7781 13.7781 k = 0.1064 0.4205-0.0000 ( 3803 PWs) bands (ev): -36.8696 -36.8696 -36.8606 -36.8606 -16.1808 -16.1808 -16.1444 -16.1444 -14.4851 -14.4851 -14.4396 -14.4396 -14.4006 -14.4006 -14.3523 -14.3523 -0.0312 -0.0312 1.3840 1.3840 4.1206 4.1206 5.7960 5.7960 8.3591 8.3591 9.5473 9.5473 9.5709 9.5709 9.6458 9.6458 9.7940 9.7940 10.1003 10.1003 10.7275 10.7275 12.0420 12.0420 12.1002 12.1002 13.0455 13.0455 13.5802 13.5802 13.7650 13.7650 k = 0.1123 0.4439-0.0000 ( 3803 PWs) bands (ev): -36.8693 -36.8693 -36.8604 -36.8604 -16.1817 -16.1817 -16.1458 -16.1458 -14.4866 -14.4866 -14.4432 -14.4432 -14.4014 -14.4014 -14.3519 -14.3519 0.0225 0.0225 1.4049 1.4049 4.1718 4.1718 5.6494 5.6494 8.2585 8.2585 9.5434 9.5434 9.5980 9.5980 9.6254 9.6254 9.8413 9.8413 10.0878 10.0878 10.7515 10.7515 11.9558 11.9558 12.0972 12.0972 13.0296 13.0296 13.5644 13.5644 13.7544 13.7544 k = 0.1182 0.4672-0.0000 ( 3803 PWs) bands (ev): -36.8691 -36.8691 -36.8602 -36.8602 -16.1826 -16.1826 -16.1473 -16.1473 -14.4882 -14.4882 -14.4468 -14.4468 -14.4020 -14.4020 -14.3514 -14.3514 0.0785 0.0785 1.4265 1.4265 4.2234 4.2234 5.5053 5.5053 8.1582 8.1582 9.5236 9.5236 9.6094 9.6094 9.6324 9.6324 9.8919 9.8919 10.0688 10.0688 10.7755 10.7755 11.8712 11.8712 12.0996 12.0996 13.0212 13.0212 13.5459 13.5459 13.7476 13.7476 k = 0.1241 0.4906-0.0000 ( 3797 PWs) bands (ev): -36.8688 -36.8688 -36.8599 -36.8599 -16.1836 -16.1836 -16.1488 -16.1488 -14.4898 -14.4898 -14.4505 -14.4505 -14.4026 -14.4026 -14.3510 -14.3510 0.1368 0.1368 1.4489 1.4489 4.2740 4.2740 5.3652 5.3652 8.0585 8.0585 9.4931 9.4931 9.6112 9.6112 9.6533 9.6533 9.9443 9.9443 10.0468 10.0468 10.7996 10.7996 11.7893 11.7893 12.1081 12.1081 13.0193 13.0193 13.5244 13.5244 13.7447 13.7447 k = 0.1300 0.5139-0.0000 ( 3789 PWs) bands (ev): -36.8685 -36.8685 -36.8596 -36.8596 -16.1845 -16.1845 -16.1503 -16.1503 -14.4916 -14.4916 -14.4541 -14.4541 -14.4031 -14.4031 -14.3505 -14.3505 0.1973 0.1973 1.4721 1.4721 4.3216 4.3216 5.2313 5.2313 7.9598 7.9598 9.4584 9.4584 9.6137 9.6137 9.6675 9.6675 9.9900 9.9900 10.0341 10.0341 10.8243 10.8243 11.7104 11.7104 12.1239 12.1239 13.0231 13.0231 13.4997 13.4997 13.7448 13.7448 k = 0.1360 0.5373-0.0000 ( 3800 PWs) bands (ev): -36.8683 -36.8683 -36.8594 -36.8594 -16.1855 -16.1855 -16.1518 -16.1518 -14.4934 -14.4934 -14.4577 -14.4577 -14.4034 -14.4034 -14.3500 -14.3500 0.2598 0.2598 1.4960 1.4960 4.3618 4.3618 5.1078 5.1078 7.8623 7.8623 9.4226 9.4226 9.6146 9.6146 9.6685 9.6685 9.9940 9.9940 10.0717 10.0717 10.8500 10.8500 11.6344 11.6344 12.1474 12.1474 13.0317 13.0317 13.4714 13.4714 13.7468 13.7468 k = 0.1419 0.5607-0.0000 ( 3796 PWs) bands (ev): -36.8680 -36.8680 -36.8592 -36.8592 -16.1864 -16.1864 -16.1532 -16.1532 -14.4952 -14.4952 -14.4613 -14.4613 -14.4037 -14.4037 -14.3496 -14.3496 0.3242 0.3242 1.5207 1.5207 4.3868 4.3868 5.0026 5.0026 7.7663 7.7663 9.3868 9.3868 9.6096 9.6096 9.6541 9.6541 9.9912 9.9912 10.1308 10.1308 10.8768 10.8768 11.5614 11.5614 12.1791 12.1791 13.0446 13.0446 13.4393 13.4393 13.7488 13.7488 k = 0.1478 0.5840-0.0000 ( 3802 PWs) bands (ev): -36.8678 -36.8678 -36.8590 -36.8590 -16.1874 -16.1874 -16.1547 -16.1547 -14.4971 -14.4971 -14.4648 -14.4648 -14.4039 -14.4039 -14.3492 -14.3492 0.3902 0.3902 1.5462 1.5462 4.3838 4.3838 4.9287 4.9287 7.6722 7.6722 9.3516 9.3516 9.5857 9.5857 9.6358 9.6358 10.0005 10.0005 10.1942 10.1942 10.9052 10.9052 11.4915 11.4915 12.2187 12.2187 13.0614 13.0614 13.4034 13.4034 13.7485 13.7485 k = 0.1537 0.6074-0.0000 ( 3810 PWs) bands (ev): -36.8676 -36.8676 -36.8588 -36.8588 -16.1883 -16.1883 -16.1562 -16.1562 -14.4990 -14.4990 -14.4682 -14.4682 -14.4040 -14.4040 -14.3487 -14.3487 0.4576 0.4576 1.5726 1.5726 4.3409 4.3409 4.8977 4.8977 7.5803 7.5803 9.3172 9.3172 9.5341 9.5341 9.6258 9.6258 10.0208 10.0208 10.2603 10.2603 10.9353 10.9353 11.4247 11.4247 12.2659 12.2659 13.0818 13.0818 13.3633 13.3633 13.7425 13.7425 k = 0.1596 0.6307-0.0000 ( 3810 PWs) bands (ev): -36.8673 -36.8673 -36.8585 -36.8585 -16.1892 -16.1892 -16.1576 -16.1576 -14.5009 -14.5009 -14.4715 -14.4715 -14.4040 -14.4040 -14.3483 -14.3483 0.5261 0.5261 1.5999 1.5999 4.2603 4.2603 4.9075 4.9075 7.4907 7.4907 9.2836 9.2836 9.4660 9.4660 9.6179 9.6179 10.0488 10.0488 10.3289 10.3289 10.9672 10.9672 11.3611 11.3611 12.3203 12.3203 13.1056 13.1056 13.3192 13.3192 13.7276 13.7276 k = 0.1655 0.6541-0.0000 ( 3814 PWs) bands (ev): -36.8671 -36.8671 -36.8583 -36.8583 -16.1900 -16.1900 -16.1590 -16.1590 -14.5027 -14.5027 -14.4747 -14.4747 -14.4040 -14.4040 -14.3480 -14.3480 0.5954 0.5954 1.6285 1.6285 4.1552 4.1552 4.9447 4.9447 7.4038 7.4038 9.2505 9.2505 9.3893 9.3893 9.6087 9.6087 10.0814 10.0814 10.3996 10.3996 11.0009 11.0009 11.3006 11.3006 12.3812 12.3812 13.1325 13.1325 13.2710 13.2710 13.7012 13.7012 k = 0.1714 0.6775-0.0000 ( 3818 PWs) bands (ev): -36.8669 -36.8669 -36.8582 -36.8582 -16.1909 -16.1909 -16.1603 -16.1603 -14.5045 -14.5045 -14.4778 -14.4778 -14.4040 -14.4040 -14.3476 -14.3476 0.6650 0.6650 1.6584 1.6584 4.0372 4.0372 4.9976 4.9976 7.3199 7.3199 9.2160 9.2160 9.3096 9.3096 9.5975 9.5975 10.1171 10.1171 10.4724 10.4724 11.0363 11.0363 11.2435 11.2435 12.4478 12.4478 13.1623 13.1623 13.2190 13.2190 13.6629 13.6629 k = 0.1773 0.7008-0.0000 ( 3818 PWs) bands (ev): -36.8667 -36.8667 -36.8579 -36.8579 -16.1916 -16.1916 -16.1616 -16.1616 -14.5063 -14.5063 -14.4807 -14.4807 -14.4038 -14.4038 -14.3473 -14.3473 0.7345 0.7345 1.6901 1.6901 3.9130 3.9130 5.0594 5.0594 7.2391 7.2391 9.1717 9.1717 9.2376 9.2376 9.5841 9.5841 10.1547 10.1547 10.5471 10.5471 11.0726 11.0726 11.1904 11.1904 12.5196 12.5196 13.1607 13.1607 13.1975 13.1975 13.6141 13.6141 k = 0.1832 0.7242-0.0000 ( 3814 PWs) bands (ev): -36.8665 -36.8665 -36.8578 -36.8578 -16.1924 -16.1924 -16.1628 -16.1628 -14.5079 -14.5079 -14.4835 -14.4835 -14.4037 -14.4037 -14.3469 -14.3469 0.8031 0.8031 1.7241 1.7241 3.7858 3.7858 5.1264 5.1264 7.1617 7.1617 9.1020 9.1020 9.1908 9.1908 9.5686 9.5686 10.1935 10.1935 10.6236 10.6236 11.1034 11.1034 11.1472 11.1472 12.5955 12.5955 13.1015 13.1015 13.2330 13.2330 13.5581 13.5581 k = 0.1892 0.7475-0.0000 ( 3810 PWs) bands (ev): -36.8663 -36.8663 -36.8576 -36.8576 -16.1931 -16.1931 -16.1640 -16.1640 -14.5095 -14.5095 -14.4861 -14.4861 -14.4035 -14.4035 -14.3467 -14.3467 0.8701 0.8701 1.7607 1.7607 3.6577 3.6577 5.1966 5.1966 7.0879 7.0879 9.0171 9.0171 9.1605 9.1605 9.5512 9.5512 10.2332 10.2332 10.7017 10.7017 11.0819 11.0819 11.1604 11.1604 12.6748 12.6748 13.0383 13.0383 13.2716 13.2716 13.4987 13.4987 k = 0.1951 0.7709-0.0000 ( 3812 PWs) bands (ev): -36.8661 -36.8661 -36.8574 -36.8574 -16.1937 -16.1937 -16.1650 -16.1650 -14.5110 -14.5110 -14.4885 -14.4885 -14.4033 -14.4033 -14.3464 -14.3464 0.9348 0.9348 1.8009 1.8009 3.5296 3.5296 5.2685 5.2685 7.0181 7.0181 8.9288 8.9288 9.1361 9.1361 9.5320 9.5320 10.2736 10.2736 10.7813 10.7813 11.0390 11.0390 11.1986 11.1986 12.7562 12.7562 12.9719 12.9719 13.3101 13.3101 13.4417 13.4417 k = 0.2010 0.7943-0.0000 ( 3804 PWs) bands (ev): -36.8659 -36.8659 -36.8572 -36.8572 -16.1943 -16.1943 -16.1660 -16.1660 -14.5123 -14.5123 -14.4907 -14.4907 -14.4031 -14.4031 -14.3462 -14.3462 0.9960 0.9960 1.8452 1.8452 3.4022 3.4022 5.3410 5.3410 6.9523 6.9523 8.8406 8.8406 9.1152 9.1152 9.5112 9.5112 10.3145 10.3145 10.8621 10.8621 10.9974 10.9974 11.2387 11.2387 12.8380 12.8380 12.9033 12.9033 13.3273 13.3273 13.4109 13.4109 k = 0.2069 0.8176-0.0000 ( 3812 PWs) bands (ev): -36.8658 -36.8658 -36.8571 -36.8571 -16.1948 -16.1948 -16.1669 -16.1669 -14.5135 -14.5135 -14.4927 -14.4927 -14.4028 -14.4028 -14.3461 -14.3461 1.0529 1.0529 1.8945 1.8945 3.2760 3.2760 5.4133 5.4133 6.8908 6.8908 8.7543 8.7543 9.0970 9.0970 9.4892 9.4892 10.3558 10.3558 10.9395 10.9395 10.9626 10.9626 11.2786 11.2786 12.8306 12.8306 12.9209 12.9209 13.2902 13.2902 13.4422 13.4422 k = 0.2128 0.8410-0.0000 ( 3806 PWs) bands (ev): -36.8657 -36.8657 -36.8570 -36.8570 -16.1952 -16.1952 -16.1677 -16.1677 -14.5145 -14.5145 -14.4944 -14.4944 -14.4026 -14.4026 -14.3459 -14.3459 1.1044 1.1044 1.9496 1.9496 3.1512 3.1512 5.4845 5.4845 6.8337 6.8337 8.6712 8.6712 9.0812 9.0812 9.4661 9.4661 10.3976 10.3976 10.9190 10.9190 11.0292 11.0292 11.3171 11.3171 12.7580 12.7580 12.9994 12.9994 13.2385 13.2385 13.4983 13.4983 k = 0.2187 0.8644-0.0000 ( 3802 PWs) bands (ev): -36.8655 -36.8655 -36.8569 -36.8569 -16.1956 -16.1956 -16.1685 -16.1685 -14.5154 -14.5154 -14.4960 -14.4960 -14.4024 -14.4024 -14.3458 -14.3458 1.1499 1.1499 2.0111 2.0111 3.0280 3.0280 5.5537 5.5537 6.7813 6.7813 8.5924 8.5924 9.0678 9.0678 9.4422 9.4422 10.4398 10.4398 10.8848 10.8848 11.1127 11.1127 11.3533 11.3533 12.6839 12.6839 13.0732 13.0732 13.1894 13.1894 13.5650 13.5650 k = 0.2246 0.8877-0.0000 ( 3806 PWs) bands (ev): -36.8655 -36.8655 -36.8568 -36.8568 -16.1959 -16.1959 -16.1691 -16.1691 -14.5161 -14.5161 -14.4973 -14.4973 -14.4022 -14.4022 -14.3458 -14.3458 1.1888 1.1888 2.0794 2.0794 2.9066 2.9066 5.6201 5.6201 6.7337 6.7337 8.5189 8.5189 9.0568 9.0568 9.4176 9.4176 10.4824 10.4824 10.8527 10.8527 11.1969 11.1969 11.3861 11.3861 12.6092 12.6092 13.1321 13.1321 13.1544 13.1544 13.6410 13.6410 k = 0.2305 0.9111-0.0000 ( 3802 PWs) bands (ev): -36.8654 -36.8654 -36.8568 -36.8568 -16.1961 -16.1961 -16.1696 -16.1696 -14.5167 -14.5167 -14.4983 -14.4983 -14.4020 -14.4020 -14.3458 -14.3458 1.2208 1.2208 2.1546 2.1546 2.7872 2.7872 5.6828 5.6828 6.6910 6.6910 8.4519 8.4519 9.0482 9.0482 9.3926 9.3926 10.5256 10.5256 10.8228 10.8228 11.2813 11.2813 11.4144 11.4144 12.5343 12.5343 13.1073 13.1073 13.2025 13.2025 13.7260 13.7260 k = 0.2365 0.9344-0.0000 ( 3798 PWs) bands (ev): -36.8653 -36.8653 -36.8567 -36.8567 -16.1962 -16.1962 -16.1700 -16.1700 -14.5170 -14.5170 -14.4992 -14.4992 -14.4018 -14.4018 -14.3459 -14.3459 1.2460 1.2460 2.2365 2.2365 2.6697 2.6697 5.7405 5.7405 6.6533 6.6533 8.3924 8.3924 9.0419 9.0419 9.3674 9.3674 10.5692 10.5692 10.7951 10.7951 11.3648 11.3648 11.4379 11.4379 12.4600 12.4600 13.0811 13.0811 13.2515 13.2515 13.8194 13.8194 k = 0.2424 0.9578-0.0000 ( 3802 PWs) bands (ev): -36.8653 -36.8653 -36.8567 -36.8567 -16.1963 -16.1963 -16.1703 -16.1703 -14.5172 -14.5172 -14.4997 -14.4997 -14.4017 -14.4017 -14.3459 -14.3459 1.2647 1.2647 2.3248 2.3248 2.5544 2.5544 5.7924 5.7924 6.6207 6.6207 8.3416 8.3416 9.0380 9.0380 9.3421 9.3421 10.6132 10.6132 10.7694 10.7694 11.4376 11.4376 11.4650 11.4650 12.3867 12.3867 13.0650 13.0650 13.2906 13.2906 13.9203 13.9203 k = 0.2483 0.9812-0.0000 ( 3810 PWs) bands (ev): -36.8653 -36.8653 -36.8567 -36.8567 -16.1963 -16.1963 -16.1704 -16.1704 -14.5172 -14.5172 -14.5000 -14.5000 -14.4015 -14.4015 -14.3461 -14.3461 1.2771 1.2771 2.4187 2.4187 2.4414 2.4414 5.8373 5.8373 6.5933 6.5933 8.3006 8.3006 9.0364 9.0364 9.3169 9.3169 10.6568 10.6568 10.7464 10.7464 11.4567 11.4567 11.5376 11.5376 12.3151 12.3151 13.0599 13.0599 13.3192 13.3192 14.0270 14.0270 k = 0.2542 1.0045-0.0000 ( 3806 PWs) bands (ev): -36.8652 -36.8652 -36.8567 -36.8567 -16.1961 -16.1961 -16.1705 -16.1705 -14.5170 -14.5170 -14.5001 -14.5001 -14.4014 -14.4014 -14.3463 -14.3463 1.2839 1.2839 2.3300 2.3300 2.5187 2.5187 5.8742 5.8742 6.5710 6.5710 8.2704 8.2704 9.0370 9.0370 9.2920 9.2920 10.6929 10.6929 10.7330 10.7330 11.4584 11.4584 11.6185 11.6185 12.2458 12.2458 13.0663 13.0663 13.3369 13.3369 14.1367 14.1367 k = 0.2601 1.0279-0.0000 ( 3802 PWs) bands (ev): -36.8652 -36.8652 -36.8567 -36.8567 -16.1960 -16.1960 -16.1705 -16.1705 -14.5167 -14.5167 -14.4999 -14.4999 -14.4013 -14.4013 -14.3465 -14.3465 1.2853 1.2853 2.2212 2.2212 2.6233 2.6233 5.9021 5.9021 6.5539 6.5539 8.2520 8.2520 9.0400 9.0400 9.2675 9.2675 10.6896 10.6896 10.7608 10.7608 11.4516 11.4516 11.6986 11.6986 12.1794 12.1794 13.0841 13.0841 13.3437 13.3437 14.2400 14.2400 k = 0.2660 1.0512-0.0000 ( 3808 PWs) bands (ev): -36.8653 -36.8653 -36.8568 -36.8568 -16.1957 -16.1957 -16.1703 -16.1703 -14.5161 -14.5161 -14.4994 -14.4994 -14.4013 -14.4013 -14.3468 -14.3468 1.2820 1.2820 2.1147 2.1147 2.7323 2.7323 5.9206 5.9206 6.5419 6.5419 8.2458 8.2458 9.0451 9.0451 9.2437 9.2437 10.6700 10.6700 10.8065 10.8065 11.4372 11.4372 11.7766 11.7766 12.1166 12.1166 13.1127 13.1127 13.3395 13.3395 14.2799 14.2799 k = 0.2660 1.0512-0.0000 ( 3808 PWs) bands (ev): -36.8653 -36.8653 -36.8568 -36.8568 -16.1957 -16.1957 -16.1703 -16.1703 -14.5161 -14.5161 -14.4994 -14.4994 -14.4013 -14.4013 -14.3468 -14.3468 1.2820 1.2820 2.1147 2.1147 2.7323 2.7323 5.9206 5.9206 6.5419 6.5419 8.2458 8.2458 9.0451 9.0451 9.2437 9.2437 10.6700 10.6700 10.8065 10.8065 11.4372 11.4372 11.7766 11.7766 12.1166 12.1166 13.1127 13.1127 13.3395 13.3395 14.2799 14.2799 k = 0.2418 1.0512-0.0000 ( 3811 PWs) bands (ev): -36.8653 -36.8653 -36.8568 -36.8568 -16.1958 -16.1958 -16.1704 -16.1704 -14.5163 -14.5163 -14.4996 -14.4996 -14.4013 -14.4013 -14.3467 -14.3467 1.2830 1.2830 2.1410 2.1410 2.7052 2.7052 5.9127 5.9127 6.5509 6.5509 8.2388 8.2388 9.0438 9.0438 9.2571 9.2571 10.6748 10.6748 10.7916 10.7916 11.4427 11.4427 11.7606 11.7606 12.1275 12.1275 13.0996 13.0996 13.3417 13.3417 14.2857 14.2857 k = 0.2176 1.0512-0.0000 ( 3812 PWs) bands (ev): -36.8653 -36.8653 -36.8568 -36.8568 -16.1958 -16.1958 -16.1704 -16.1704 -14.5164 -14.5164 -14.4997 -14.4997 -14.4013 -14.4013 -14.3466 -14.3466 1.2834 1.2834 2.1679 2.1679 2.6785 2.6785 5.8971 5.8971 6.5721 6.5721 8.2185 8.2185 9.0429 9.0429 9.2851 9.2851 10.6785 10.6785 10.7710 10.7710 11.4504 11.4504 11.7505 11.7505 12.1302 12.1302 13.0774 13.0774 13.3435 13.3435 14.2844 14.2844 k = 0.1935 1.0512-0.0000 ( 3814 PWs) bands (ev): -36.8653 -36.8653 -36.8567 -36.8567 -16.1959 -16.1959 -16.1704 -16.1704 -14.5166 -14.5166 -14.4998 -14.4998 -14.4013 -14.4013 -14.3465 -14.3465 1.2834 1.2834 2.1952 2.1952 2.6523 2.6523 5.8762 5.8762 6.6028 6.6028 8.1869 8.1869 9.0422 9.0422 9.3251 9.3251 10.6802 10.6802 10.7467 10.7467 11.4597 11.4597 11.7464 11.7464 12.1252 12.1252 13.0482 13.0482 13.3449 13.3449 14.2830 14.2830 k = 0.1693 1.0512-0.0000 ( 3812 PWs) bands (ev): -36.8653 -36.8653 -36.8567 -36.8567 -16.1960 -16.1960 -16.1704 -16.1704 -14.5167 -14.5167 -14.4998 -14.4998 -14.4014 -14.4014 -14.3464 -14.3464 1.2831 1.2831 2.2224 2.2224 2.6266 2.6266 5.8526 5.8526 6.6399 6.6399 8.1473 8.1473 9.0416 9.0416 9.3741 9.3741 10.6764 10.6764 10.7228 10.7228 11.4699 11.4699 11.7481 11.7481 12.1131 12.1131 13.0141 13.0141 13.3460 13.3460 14.2842 14.2842 k = 0.1451 1.0512-0.0000 ( 3805 PWs) bands (ev): -36.8653 -36.8653 -36.8567 -36.8567 -16.1960 -16.1960 -16.1705 -16.1705 -14.5168 -14.5168 -14.4999 -14.4999 -14.4014 -14.4014 -14.3464 -14.3464 1.2826 1.2826 2.2494 2.2494 2.6015 2.6015 5.8286 5.8286 6.6807 6.6807 8.1030 8.1030 9.0410 9.0410 9.4282 9.4282 10.6594 10.6594 10.7085 10.7085 11.4802 11.4802 11.7553 11.7553 12.0949 12.0949 12.9780 12.9780 13.3470 13.3470 14.2886 14.2886 k = 0.1209 1.0512-0.0000 ( 3809 PWs) bands (ev): -36.8653 -36.8653 -36.8567 -36.8567 -16.1961 -16.1961 -16.1705 -16.1705 -14.5169 -14.5169 -14.5000 -14.5000 -14.4014 -14.4014 -14.3463 -14.3463 1.2821 1.2821 2.2759 2.2759 2.5771 2.5771 5.8060 5.8060 6.7223 6.7223 8.0573 8.0573 9.0405 9.0405 9.4838 9.4838 10.6305 10.6305 10.7043 10.7043 11.4901 11.4901 11.7676 11.7676 12.0719 12.0719 12.9425 12.9425 13.3479 13.3479 14.2958 14.2958 k = 0.0967 1.0512-0.0000 ( 3807 PWs) bands (ev): -36.8653 -36.8653 -36.8567 -36.8567 -16.1961 -16.1961 -16.1705 -16.1705 -14.5170 -14.5170 -14.5000 -14.5000 -14.4014 -14.4014 -14.3462 -14.3462 1.2815 1.2815 2.3013 2.3013 2.5536 2.5536 5.7860 5.7860 6.7619 6.7619 8.0136 8.0136 9.0401 9.0401 9.5373 9.5373 10.5985 10.5985 10.7033 10.7033 11.4990 11.4990 11.7842 11.7842 12.0455 12.0455 12.9101 12.9101 13.3488 13.3488 14.3044 14.3044 k = 0.0725 1.0512-0.0000 ( 3807 PWs) bands (ev): -36.8653 -36.8653 -36.8567 -36.8567 -16.1962 -16.1962 -16.1705 -16.1705 -14.5171 -14.5171 -14.5000 -14.5000 -14.4015 -14.4015 -14.3462 -14.3462 1.2809 1.2809 2.3249 2.3249 2.5317 2.5317 5.7696 5.7696 6.7969 6.7969 7.9750 7.9750 9.0397 9.0397 9.5848 9.5848 10.5682 10.5682 10.7031 10.7031 11.5065 11.5065 11.8041 11.8041 12.0173 12.0173 12.8827 12.8827 13.3496 13.3496 14.3134 14.3134 k = 0.0484 1.0512-0.0000 ( 3803 PWs) bands (ev): -36.8652 -36.8652 -36.8567 -36.8567 -16.1962 -16.1962 -16.1705 -16.1705 -14.5171 -14.5171 -14.5001 -14.5001 -14.4015 -14.4015 -14.3462 -14.3462 1.2805 1.2805 2.3454 2.3454 2.5125 2.5125 5.7574 5.7574 6.8245 6.8245 7.9445 7.9445 9.0395 9.0395 9.6226 9.6226 10.5432 10.5432 10.7031 10.7031 11.5120 11.5120 11.8255 11.8255 11.9897 11.9897 12.8620 12.8620 13.3503 13.3503 14.3212 14.3212 k = 0.0242 1.0512-0.0000 ( 3799 PWs) bands (ev): -36.8652 -36.8652 -36.8567 -36.8567 -16.1962 -16.1962 -16.1705 -16.1705 -14.5172 -14.5172 -14.5001 -14.5001 -14.4015 -14.4015 -14.3461 -14.3461 1.2802 1.2802 2.3604 2.3604 2.4984 2.4984 5.7499 5.7499 6.8423 6.8423 7.9250 7.9250 9.0393 9.0393 9.6471 9.6471 10.5267 10.5267 10.7031 10.7031 11.5155 11.5155 11.8445 11.8445 11.9668 11.9668 12.8491 12.8491 13.3507 13.3507 14.3267 14.3267 k = 0.0000 1.0512-0.0000 ( 3796 PWs) bands (ev): -36.8652 -36.8652 -36.8567 -36.8567 -16.1962 -16.1962 -16.1705 -16.1705 -14.5172 -14.5172 -14.5001 -14.5001 -14.4015 -14.4015 -14.3461 -14.3461 1.2801 1.2801 2.3661 2.3661 2.4929 2.4929 5.7474 5.7474 6.8484 6.8484 7.9182 7.9182 9.0393 9.0393 9.6556 9.6556 10.5208 10.5208 10.7031 10.7031 11.5166 11.5166 11.8530 11.8530 11.9569 11.9569 12.8447 12.8447 13.3508 13.3508 14.3287 14.3287 k = 0.0000 1.0512-0.0000 ( 3796 PWs) bands (ev): -36.8652 -36.8652 -36.8567 -36.8567 -16.1962 -16.1962 -16.1705 -16.1705 -14.5172 -14.5172 -14.5001 -14.5001 -14.4015 -14.4015 -14.3461 -14.3461 1.2801 1.2801 2.3661 2.3661 2.4929 2.4929 5.7474 5.7474 6.8484 6.8484 7.9182 7.9182 9.0393 9.0393 9.6556 9.6556 10.5208 10.5208 10.7031 10.7031 11.5166 11.5166 11.8530 11.8530 11.9569 11.9569 12.8447 12.8447 13.3508 13.3508 14.3287 14.3287 k = 0.0000 1.0512 0.0244 ( 3800 PWs) bands (ev): -36.8652 -36.8652 -36.8567 -36.8567 -16.1963 -16.1963 -16.1705 -16.1705 -14.5171 -14.5171 -14.5001 -14.5001 -14.4016 -14.4016 -14.3463 -14.3463 1.2811 1.2811 2.3674 2.3674 2.4942 2.4942 5.7456 5.7456 6.8489 6.8489 7.9198 7.9198 9.0381 9.0381 9.6541 9.6541 10.5196 10.5196 10.6954 10.6954 11.4911 11.4911 11.8435 11.8435 11.9784 11.9784 12.8495 12.8495 13.3533 13.3533 14.3301 14.3301 k = 0.0000 1.0512 0.0489 ( 3798 PWs) bands (ev): -36.8652 -36.8652 -36.8566 -36.8566 -16.1963 -16.1963 -16.1706 -16.1706 -14.5171 -14.5171 -14.5001 -14.5001 -14.4019 -14.4019 -14.3466 -14.3466 1.2841 1.2841 2.3712 2.3712 2.4981 2.4981 5.7400 5.7400 6.8503 6.8503 7.9246 7.9246 9.0346 9.0346 9.6495 9.6495 10.5157 10.5157 10.6726 10.6726 11.4248 11.4248 11.8183 11.8183 12.0299 12.0299 12.8636 12.8636 13.3608 13.3608 14.3349 14.3349 k = 0.0000 1.0512 0.0733 ( 3802 PWs) bands (ev): -36.8651 -36.8651 -36.8566 -36.8566 -16.1964 -16.1964 -16.1708 -16.1708 -14.5169 -14.5169 -14.5001 -14.5001 -14.4025 -14.4025 -14.3472 -14.3472 1.2890 1.2890 2.3776 2.3776 2.5045 2.5045 5.7305 5.7305 6.8529 6.8529 7.9324 7.9324 9.0289 9.0289 9.6417 9.6417 10.5087 10.5087 10.6360 10.6360 11.3339 11.3339 11.7798 11.7798 12.0944 12.0944 12.8860 12.8860 13.3731 13.3731 14.3435 14.3435 k = 0.0000 1.0512 0.0978 ( 3806 PWs) bands (ev): -36.8650 -36.8650 -36.8566 -36.8566 -16.1966 -16.1966 -16.1711 -16.1711 -14.5167 -14.5167 -14.5001 -14.5001 -14.4032 -14.4032 -14.3481 -14.3481 1.2959 1.2959 2.3865 2.3865 2.5136 2.5136 5.7171 5.7171 6.8568 6.8568 7.9433 7.9433 9.0211 9.0211 9.6307 9.6307 10.4975 10.4975 10.5878 10.5878 11.2288 11.2288 11.7292 11.7292 12.1627 12.1627 12.9153 12.9153 13.3899 13.3899 14.3569 14.3569 k = 0.0000 1.0512 0.1222 ( 3806 PWs) bands (ev): -36.8649 -36.8649 -36.8565 -36.8565 -16.1968 -16.1968 -16.1714 -16.1714 -14.5164 -14.5164 -14.5002 -14.5002 -14.4042 -14.4042 -14.3492 -14.3492 1.3048 1.3048 2.3979 2.3979 2.5252 2.5252 5.6994 5.6994 6.8624 6.8624 7.9571 7.9571 9.0114 9.0114 9.6162 9.6162 10.4774 10.4774 10.5336 10.5336 11.1152 11.1152 11.6683 11.6683 12.2307 12.2307 12.9499 12.9499 13.4110 13.4110 14.3756 14.3756 k = 0.0000 1.0512 0.1467 ( 3808 PWs) bands (ev): -36.8648 -36.8648 -36.8564 -36.8564 -16.1970 -16.1970 -16.1719 -16.1719 -14.5161 -14.5161 -14.5002 -14.5002 -14.4054 -14.4054 -14.3505 -14.3505 1.3156 1.3156 2.4118 2.4118 2.5393 2.5393 5.6773 5.6773 6.8700 6.8700 7.9736 7.9736 8.9999 8.9999 9.5982 9.5982 10.4322 10.4322 10.4902 10.4902 10.9971 10.9971 11.5988 11.5988 12.2967 12.2967 12.9882 12.9882 13.4359 13.4359 14.3998 14.3998 k = 0.0000 1.0512 0.1711 ( 3806 PWs) bands (ev): -36.8646 -36.8646 -36.8563 -36.8563 -16.1973 -16.1973 -16.1724 -16.1724 -14.5157 -14.5157 -14.5003 -14.5003 -14.4067 -14.4067 -14.3520 -14.3520 1.3283 1.3283 2.4282 2.4282 2.5560 2.5560 5.6507 5.6507 6.8799 6.8799 7.9926 7.9926 8.9870 8.9870 9.5763 9.5763 10.3610 10.3610 10.4583 10.4583 10.8788 10.8788 11.5227 11.5227 12.3599 12.3599 13.0287 13.0287 13.4642 13.4642 14.4286 14.4286 k = 0.0000 1.0512 0.1956 ( 3804 PWs) bands (ev): -36.8644 -36.8644 -36.8562 -36.8562 -16.1976 -16.1976 -16.1729 -16.1729 -14.5153 -14.5153 -14.5003 -14.5003 -14.4082 -14.4082 -14.3537 -14.3537 1.3431 1.3431 2.4471 2.4471 2.5752 2.5752 5.6192 5.6192 6.8924 6.8924 8.0138 8.0138 8.9727 8.9727 9.5501 9.5501 10.2792 10.2792 10.4195 10.4195 10.7662 10.7662 11.4416 11.4416 12.4203 12.4203 13.0701 13.0701 13.4954 13.4954 14.4493 14.4493 k = 0.0000 1.0512 0.2200 ( 3804 PWs) bands (ev): -36.8642 -36.8642 -36.8561 -36.8561 -16.1979 -16.1979 -16.1736 -16.1736 -14.5148 -14.5148 -14.5004 -14.5004 -14.4099 -14.4099 -14.3556 -14.3556 1.3598 1.3598 2.4684 2.4684 2.5969 2.5969 5.5829 5.5829 6.9079 6.9079 8.0368 8.0368 8.9574 8.9574 9.5192 9.5192 10.1928 10.1928 10.3617 10.3617 10.6687 10.6687 11.3570 11.3570 12.4780 12.4780 13.1115 13.1115 13.5290 13.5290 14.4586 14.4586 k = 0.0000 1.0512 0.2445 ( 3804 PWs) bands (ev): -36.8640 -36.8640 -36.8560 -36.8560 -16.1983 -16.1983 -16.1743 -16.1743 -14.5144 -14.5144 -14.5005 -14.5005 -14.4117 -14.4117 -14.3577 -14.3577 1.3784 1.3784 2.4921 2.4921 2.6210 2.6210 5.5417 5.5417 6.9265 6.9265 8.0610 8.0610 8.9412 8.9412 9.4830 9.4830 10.1046 10.1046 10.2766 10.2766 10.5947 10.5947 11.2703 11.2703 12.5333 12.5333 13.1522 13.1522 13.5645 13.5645 14.4680 14.4680 k = 0.0000 1.0512 0.2689 ( 3800 PWs) bands (ev): -36.8637 -36.8637 -36.8559 -36.8559 -16.1987 -16.1987 -16.1751 -16.1751 -14.5139 -14.5139 -14.5007 -14.5007 -14.4136 -14.4136 -14.3599 -14.3599 1.3990 1.3990 2.5181 2.5181 2.6476 2.6476 5.4957 5.4957 6.9484 6.9484 8.0860 8.0860 8.9242 8.9242 9.4410 9.4410 10.0169 10.0169 10.1663 10.1663 10.5429 10.5429 11.1825 11.1825 12.5868 12.5868 13.1920 13.1920 13.6014 13.6014 14.4788 14.4788 k = 0.0000 1.0512 0.2934 ( 3798 PWs) bands (ev): -36.8635 -36.8635 -36.8557 -36.8557 -16.1991 -16.1991 -16.1759 -16.1759 -14.5134 -14.5134 -14.5008 -14.5008 -14.4156 -14.4156 -14.3623 -14.3623 1.4215 1.4215 2.5464 2.5464 2.6766 2.6766 5.4450 5.4450 6.9737 6.9737 8.1107 8.1107 8.9065 8.9065 9.3928 9.3928 9.9314 9.9314 10.0405 10.0405 10.5048 10.5048 11.0945 11.0945 12.6387 12.6387 13.2307 13.2307 13.6395 13.6395 14.4912 14.4912 k = 0.0000 1.0512 0.3178 ( 3806 PWs) bands (ev): -36.8632 -36.8632 -36.8556 -36.8556 -16.1996 -16.1996 -16.1768 -16.1768 -14.5129 -14.5129 -14.5010 -14.5010 -14.4178 -14.4178 -14.3648 -14.3648 1.4460 1.4460 2.5769 2.5769 2.7080 2.7080 5.3898 5.3898 7.0022 7.0022 8.1340 8.1340 8.8881 8.8881 9.3385 9.3385 9.8476 9.8476 9.9092 9.9092 10.4736 10.4736 11.0071 11.0071 12.6896 12.6896 13.2684 13.2684 13.6784 13.6784 14.5050 14.5050 k = 0.0000 1.0512 0.3423 ( 3806 PWs) bands (ev): -36.8629 -36.8629 -36.8555 -36.8555 -16.2001 -16.2001 -16.1777 -16.1777 -14.5124 -14.5124 -14.5012 -14.5012 -14.4199 -14.4199 -14.3674 -14.3674 1.4723 1.4723 2.6097 2.6097 2.7416 2.7416 5.3303 5.3303 7.0340 7.0340 8.1544 8.1544 8.8689 8.8689 9.2793 9.2793 9.7474 9.7474 9.7962 9.7962 10.4457 10.4457 10.9207 10.9207 12.7398 12.7398 13.3055 13.3055 13.7177 13.7177 14.5202 14.5202 k = 0.0000 1.0512 0.3667 ( 3806 PWs) bands (ev): -36.8626 -36.8626 -36.8553 -36.8553 -16.2006 -16.2006 -16.1787 -16.1787 -14.5119 -14.5119 -14.5014 -14.5014 -14.4221 -14.4221 -14.3701 -14.3701 1.5006 1.5006 2.6445 2.6445 2.7775 2.7775 5.2670 5.2670 7.0689 7.0689 8.1698 8.1698 8.8484 8.8484 9.2172 9.2172 9.6152 9.6152 9.7204 9.7204 10.4193 10.4193 10.8360 10.8360 12.7899 12.7899 13.3422 13.3422 13.7572 13.7572 14.5365 14.5365 k = 0.0000 1.0512 0.3912 ( 3808 PWs) bands (ev): -36.8622 -36.8622 -36.8551 -36.8551 -16.2011 -16.2011 -16.1798 -16.1798 -14.5116 -14.5116 -14.5016 -14.5016 -14.4243 -14.4243 -14.3729 -14.3729 1.5308 1.5308 2.6813 2.6813 2.8156 2.8156 5.2001 5.2001 7.1067 7.1067 8.1775 8.1775 8.8261 8.8261 9.1559 9.1559 9.4778 9.4778 9.6571 9.6571 10.3935 10.3935 10.7532 10.7532 12.8401 12.8401 13.3791 13.3791 13.7969 13.7969 14.5538 14.5538 k = 0.0000 1.0512 0.4156 ( 3802 PWs) bands (ev): -36.8619 -36.8619 -36.8549 -36.8549 -16.2016 -16.2016 -16.1809 -16.1809 -14.5112 -14.5112 -14.5019 -14.5019 -14.4265 -14.4265 -14.3757 -14.3757 1.5629 1.5629 2.7201 2.7201 2.8558 2.8558 5.1300 5.1300 7.1470 7.1470 8.1744 8.1744 8.8003 8.8003 9.0997 9.0997 9.3432 9.3432 9.6000 9.6000 10.3681 10.3681 10.6726 10.6726 12.8907 12.8907 13.4166 13.4166 13.8365 13.8365 14.5719 14.5719 k = 0.0000 1.0512 0.4401 ( 3794 PWs) bands (ev): -36.8615 -36.8615 -36.8547 -36.8547 -16.2022 -16.2022 -16.1820 -16.1820 -14.5110 -14.5110 -14.5022 -14.5022 -14.4287 -14.4287 -14.3786 -14.3786 1.5969 1.5969 2.7607 2.7607 2.8981 2.8981 5.0570 5.0570 7.1894 7.1894 8.1571 8.1571 8.7683 8.7683 9.0529 9.0529 9.2162 9.2162 9.5473 9.5473 10.3429 10.3429 10.5946 10.5946 12.9421 12.9421 13.4550 13.4550 13.8761 13.8761 14.5905 14.5905 k = 0.0000 1.0512 0.4645 ( 3798 PWs) bands (ev): -36.8612 -36.8612 -36.8546 -36.8546 -16.2027 -16.2027 -16.1832 -16.1832 -14.5108 -14.5108 -14.5025 -14.5025 -14.4307 -14.4307 -14.3815 -14.3815 1.6328 1.6328 2.8030 2.8030 2.9424 2.9424 4.9817 4.9817 7.2336 7.2336 8.1234 8.1234 8.7251 8.7251 9.0186 9.0186 9.1036 9.1036 9.4981 9.4981 10.3177 10.3177 10.5192 10.5192 12.9943 12.9943 13.4948 13.4948 13.9157 13.9157 14.6095 14.6095 k = 0.0000 1.0512 0.4890 ( 3792 PWs) bands (ev): -36.8608 -36.8608 -36.8544 -36.8544 -16.2033 -16.2033 -16.1844 -16.1844 -14.5107 -14.5107 -14.5029 -14.5029 -14.4327 -14.4327 -14.3844 -14.3844 1.6705 1.6705 2.8468 2.8468 2.9885 2.9885 4.9043 4.9043 7.2790 7.2790 8.0724 8.0724 8.6635 8.6635 8.9910 8.9910 9.0204 9.0204 9.4516 9.4516 10.2926 10.2926 10.4468 10.4468 13.0476 13.0476 13.5363 13.5363 13.9552 13.9552 14.6289 14.6289 k = 0.0000 1.0512 0.5134 ( 3784 PWs) bands (ev): -36.8604 -36.8604 -36.8542 -36.8542 -16.2038 -16.2038 -16.1856 -16.1856 -14.5108 -14.5108 -14.5033 -14.5033 -14.4345 -14.4345 -14.3872 -14.3872 1.7101 1.7101 2.8920 2.8920 3.0364 3.0364 4.8252 4.8252 7.3247 7.3247 8.0058 8.0058 8.5800 8.5800 8.9392 8.9392 9.0012 9.0012 9.4075 9.4075 10.2676 10.2676 10.3775 10.3775 13.1020 13.1020 13.5798 13.5798 13.9948 13.9948 14.6484 14.6484 k = 0.0000 1.0512 0.5379 ( 3782 PWs) bands (ev): -36.8600 -36.8600 -36.8541 -36.8541 -16.2044 -16.2044 -16.1868 -16.1868 -14.5110 -14.5110 -14.5038 -14.5038 -14.4361 -14.4361 -14.3900 -14.3900 1.7516 1.7516 2.9384 2.9384 3.0860 3.0860 4.7449 4.7449 7.3696 7.3696 7.9263 7.9263 8.4795 8.4795 8.8972 8.8972 9.0057 9.0057 9.3659 9.3659 10.2425 10.2425 10.3120 10.3120 13.1577 13.1577 13.6256 13.6256 14.0346 14.0346 14.6681 14.6681 k = 0.0000 1.0512 0.5623 ( 3782 PWs) bands (ev): -36.8596 -36.8596 -36.8539 -36.8539 -16.2049 -16.2049 -16.1881 -16.1881 -14.5113 -14.5113 -14.5043 -14.5043 -14.4376 -14.4376 -14.3928 -14.3928 1.7948 1.7948 2.9857 2.9857 3.1370 3.1370 4.6637 4.6637 7.4119 7.4119 7.8373 7.8373 8.3716 8.3716 8.8690 8.8690 9.0182 9.0182 9.3272 9.3272 10.2154 10.2154 10.2522 10.2522 13.2145 13.2145 13.6738 13.6738 14.0747 14.0747 14.6878 14.6878 k = 0.0000 1.0512 0.5868 ( 3784 PWs) bands (ev): -36.8592 -36.8592 -36.8538 -36.8538 -16.2054 -16.2054 -16.1894 -16.1894 -14.5117 -14.5117 -14.5048 -14.5048 -14.4389 -14.4389 -14.3956 -14.3956 1.8399 1.8399 3.0336 3.0336 3.1894 3.1894 4.5821 4.5821 7.4490 7.4490 7.7416 7.7416 8.2651 8.2651 8.8496 8.8496 9.0337 9.0337 9.2929 9.2929 10.1769 10.1769 10.2079 10.2079 13.2724 13.2724 13.7247 13.7247 14.1152 14.1152 14.7074 14.7074 k = 0.0000 1.0512 0.6112 ( 3784 PWs) bands (ev): -36.8588 -36.8588 -36.8537 -36.8537 -16.2060 -16.2060 -16.1906 -16.1906 -14.5121 -14.5121 -14.5055 -14.5055 -14.4400 -14.4400 -14.3982 -14.3982 1.8868 1.8868 3.0818 3.0818 3.2429 3.2429 4.5006 4.5006 7.4763 7.4763 7.6419 7.6419 8.1677 8.1677 8.8359 8.8359 9.0469 9.0469 9.2653 9.2653 10.1258 10.1258 10.1808 10.1808 13.3315 13.3315 13.7783 13.7783 14.1564 14.1564 14.7270 14.7270 k = 0.0000 1.0512 0.6357 ( 3788 PWs) bands (ev): -36.8584 -36.8584 -36.8536 -36.8536 -16.2064 -16.2064 -16.1919 -16.1919 -14.5127 -14.5127 -14.5062 -14.5062 -14.4408 -14.4408 -14.4008 -14.4008 1.9354 1.9354 3.1297 3.1297 3.2973 3.2973 4.4196 4.4196 7.4867 7.4867 7.5402 7.5402 8.0881 8.0881 8.8264 8.8264 9.0519 9.0519 9.2481 9.2481 10.0752 10.0752 10.1582 10.1582 13.3914 13.3914 13.8347 13.8347 14.1985 14.1985 14.7464 14.7464 k = 0.0000 1.0512 0.6601 ( 3784 PWs) bands (ev): -36.8580 -36.8580 -36.8535 -36.8535 -16.2069 -16.2069 -16.1931 -16.1931 -14.5133 -14.5133 -14.5070 -14.5070 -14.4414 -14.4414 -14.4033 -14.4033 1.9858 1.9858 3.1767 3.1767 3.3524 3.3524 4.3398 4.3398 7.4368 7.4368 7.4734 7.4734 8.0358 8.0358 8.8200 8.8200 9.0444 9.0444 9.2438 9.2438 10.0284 10.0284 10.1373 10.1373 13.4522 13.4522 13.8937 13.8937 14.2416 14.2416 14.7656 14.7656 k = 0.0000 1.0512 0.6846 ( 3780 PWs) bands (ev): -36.8576 -36.8576 -36.8534 -36.8534 -16.2073 -16.2073 -16.1944 -16.1944 -14.5140 -14.5140 -14.5079 -14.5079 -14.4419 -14.4419 -14.4058 -14.4058 2.0379 2.0379 3.2221 3.2221 3.4078 3.4078 4.2619 4.2619 7.3354 7.3354 7.4297 7.4297 8.0153 8.0153 8.8164 8.8164 9.0250 9.0250 9.2500 9.2500 9.9863 9.9863 10.1177 10.1177 13.5135 13.5135 13.9551 13.9551 14.2860 14.2860 14.7846 14.7846 k = 0.0000 1.0512 0.7090 ( 3786 PWs) bands (ev): -36.8573 -36.8573 -36.8533 -36.8533 -16.2077 -16.2077 -16.1956 -16.1956 -14.5147 -14.5147 -14.5089 -14.5089 -14.4420 -14.4420 -14.4081 -14.4081 2.0917 2.0917 3.2645 3.2645 3.4633 3.4633 4.1870 4.1870 7.2356 7.2356 7.3620 7.3620 8.0223 8.0223 8.8153 8.8153 8.9979 8.9979 9.2609 9.2609 9.9498 9.9498 10.0993 10.0993 13.5750 13.5750 14.0186 14.0186 14.3320 14.3320 14.8031 14.8031 k = 0.0000 1.0512 0.7335 ( 3786 PWs) bands (ev): -36.8569 -36.8569 -36.8532 -36.8532 -16.2080 -16.2080 -16.1968 -16.1968 -14.5154 -14.5154 -14.5099 -14.5099 -14.4420 -14.4420 -14.4104 -14.4104 2.1472 2.1472 3.3025 3.3025 3.5185 3.5185 4.1166 4.1166 7.1384 7.1384 7.2791 7.2791 8.0480 8.0480 8.8166 8.8166 8.9668 8.9668 9.2716 9.2716 9.9196 9.9196 10.0820 10.0820 13.6366 13.6366 14.0836 14.0836 14.3798 14.3798 14.8212 14.8212 k = 0.0000 1.0512 0.7579 ( 3790 PWs) bands (ev): -36.8566 -36.8566 -36.8532 -36.8532 -16.2083 -16.2083 -16.1980 -16.1980 -14.5161 -14.5161 -14.5109 -14.5109 -14.4419 -14.4419 -14.4126 -14.4126 2.2043 2.2043 3.3339 3.3339 3.5729 3.5729 4.0525 4.0525 7.0450 7.0450 7.1890 7.1890 8.0847 8.0847 8.8201 8.8201 8.9340 8.9340 9.2785 9.2785 9.8962 9.8962 10.0659 10.0659 13.6978 13.6978 14.1491 14.1491 14.4297 14.4297 14.8387 14.8387 k = 0.0000 1.0512 0.7824 ( 3792 PWs) bands (ev): -36.8563 -36.8563 -36.8531 -36.8531 -16.2085 -16.2085 -16.1991 -16.1991 -14.5168 -14.5168 -14.5120 -14.5120 -14.4415 -14.4415 -14.4146 -14.4146 2.2630 2.2630 3.3557 3.3557 3.6261 3.6261 3.9973 3.9973 6.9561 6.9561 7.0970 7.0970 8.1274 8.1274 8.8253 8.8253 8.9012 8.9012 9.2798 9.2798 9.8800 9.8800 10.0510 10.0510 13.7585 13.7585 14.2136 14.2136 14.4819 14.4819 14.8548 14.8548 k = 0.0000 1.0512 0.8068 ( 3786 PWs) bands (ev): -36.8559 -36.8559 -36.8531 -36.8531 -16.2087 -16.2087 -16.2002 -16.2002 -14.5174 -14.5174 -14.5130 -14.5130 -14.4410 -14.4410 -14.4167 -14.4167 2.3233 2.3233 3.3646 3.3646 3.6774 3.6774 3.9541 3.9541 6.8726 6.8726 7.0063 7.0063 8.1731 8.1731 8.8295 8.8295 8.8718 8.8718 9.2746 9.2746 9.8708 9.8708 10.0370 10.0370 13.8181 13.8181 14.2748 14.2748 14.5365 14.5365 14.8524 14.8524 k = 0.0000 1.0512 0.8313 ( 3782 PWs) bands (ev): -36.8556 -36.8556 -36.8531 -36.8531 -16.2088 -16.2088 -16.2012 -16.2012 -14.5180 -14.5180 -14.5140 -14.5140 -14.4403 -14.4403 -14.4186 -14.4186 2.3850 2.3850 3.3577 3.3577 3.7263 3.7263 3.9253 3.9253 6.7954 6.7954 6.9193 6.9193 8.2199 8.2199 8.8180 8.8180 8.8608 8.8608 9.2629 9.2629 9.8678 9.8678 10.0241 10.0241 13.8765 13.8765 14.3291 14.3291 14.5937 14.5937 14.8402 14.8402 k = 0.0000 1.0512 0.8557 ( 3784 PWs) bands (ev): -36.8553 -36.8553 -36.8531 -36.8531 -16.2088 -16.2088 -16.2022 -16.2022 -14.5185 -14.5185 -14.5150 -14.5150 -14.4395 -14.4395 -14.4204 -14.4204 2.4482 2.4482 3.3341 3.3341 3.7720 3.7720 3.9111 3.9111 6.7254 6.7254 6.8375 6.8375 8.2666 8.2666 8.7891 8.7891 8.8703 8.8703 9.2453 9.2453 9.8699 9.8699 10.0120 10.0120 13.9334 13.9334 14.3718 14.3718 14.6535 14.6535 14.8357 14.8357 k = 0.0000 1.0512 0.8802 ( 3780 PWs) bands (ev): -36.8550 -36.8550 -36.8531 -36.8531 -16.2088 -16.2088 -16.2031 -16.2031 -14.5190 -14.5190 -14.5159 -14.5159 -14.4387 -14.4387 -14.4222 -14.4222 2.5126 2.5126 3.2956 3.2956 3.8140 3.8140 3.9093 3.9093 6.6635 6.6635 6.7623 6.7623 8.3124 8.3124 8.7567 8.7567 8.8864 8.8864 9.2229 9.2229 9.8759 9.8759 10.0006 10.0006 13.9885 13.9885 14.3984 14.3984 14.7153 14.7153 14.8433 14.8433 k = 0.0000 1.0512 0.9046 ( 3778 PWs) bands (ev): -36.8548 -36.8548 -36.8531 -36.8531 -16.2087 -16.2087 -16.2039 -16.2039 -14.5193 -14.5193 -14.5167 -14.5167 -14.4377 -14.4377 -14.4239 -14.4239 2.5784 2.5784 3.2455 3.2455 3.8513 3.8513 3.9157 3.9157 6.6105 6.6105 6.6948 6.6948 8.3569 8.3569 8.7236 8.7236 8.9061 8.9061 9.1967 9.1967 9.8844 9.8844 9.9898 9.9898 14.0417 14.0417 14.4066 14.4066 14.7783 14.7783 14.8635 14.8635 k = 0.0000 1.0512 0.9291 ( 3778 PWs) bands (ev): -36.8545 -36.8545 -36.8532 -36.8532 -16.2086 -16.2086 -16.2047 -16.2047 -14.5196 -14.5196 -14.5175 -14.5175 -14.4366 -14.4366 -14.4256 -14.4256 2.6453 2.6453 3.1875 3.1875 3.8835 3.8835 3.9261 3.9261 6.5674 6.5674 6.6362 6.6362 8.3997 8.3997 8.6904 8.6904 8.9287 8.9287 9.1677 9.1677 9.8945 9.8945 9.9794 9.9794 14.0928 14.0928 14.3983 14.3983 14.8395 14.8395 14.8924 14.8924 k = 0.0000 1.0512 0.9535 ( 3778 PWs) bands (ev): -36.8543 -36.8543 -36.8533 -36.8533 -16.2084 -16.2084 -16.2055 -16.2055 -14.5197 -14.5197 -14.5182 -14.5182 -14.4354 -14.4354 -14.4272 -14.4272 2.7131 2.7131 3.1242 3.1242 3.9097 3.9097 3.9371 3.9371 6.5350 6.5350 6.5874 6.5874 8.4406 8.4406 8.6569 8.6569 8.9540 8.9540 9.1370 9.1370 9.9054 9.9054 9.9692 9.9692 14.1419 14.1419 14.3777 14.3777 14.8900 14.8900 14.9226 14.9226 k = 0.0000 1.0512 0.9780 ( 3780 PWs) bands (ev): -36.8541 -36.8541 -36.8534 -36.8534 -16.2081 -16.2081 -16.2061 -16.2061 -14.5198 -14.5198 -14.5187 -14.5187 -14.4342 -14.4342 -14.4287 -14.4287 2.7818 2.7818 3.0578 3.0578 3.9297 3.9297 3.9458 3.9458 6.5139 6.5139 6.5493 6.5493 8.4799 8.4799 8.6232 8.6232 8.9815 8.9815 9.1053 9.1053 9.9165 9.9165 9.9591 9.9591 14.1887 14.1887 14.3486 14.3486 14.9208 14.9208 14.9404 14.9404 k = 0.0000 1.0512 1.0024 ( 3784 PWs) bands (ev): -36.8539 -36.8539 -36.8536 -36.8536 -16.2077 -16.2077 -16.2067 -16.2067 -14.5197 -14.5197 -14.5191 -14.5191 -14.4329 -14.4329 -14.4302 -14.4302 2.8510 2.8510 2.9895 2.9895 3.9431 3.9431 3.9505 3.9505 6.5047 6.5047 6.5225 6.5225 8.5175 8.5175 8.5889 8.5889 9.0109 9.0109 9.0733 9.0733 9.9276 9.9276 9.9488 9.9488 14.2332 14.2332 14.3139 14.3139 14.9376 14.9376 14.9465 14.9465 k = 0.0000 1.0512 1.0269 ( 3780 PWs) bands (ev): -36.8537 -36.8537 -36.8537 -36.8537 -16.2072 -16.2072 -16.2072 -16.2072 -14.5195 -14.5195 -14.5195 -14.5195 -14.4316 -14.4316 -14.4316 -14.4316 2.9204 2.9204 2.9204 2.9204 3.9499 3.9499 3.9499 3.9499 6.5076 6.5076 6.5076 6.5076 8.5537 8.5537 8.5537 8.5537 9.0416 9.0416 9.0416 9.0416 9.9384 9.9384 9.9384 9.9384 14.2751 14.2751 14.2751 14.2751 14.9455 14.9455 14.9455 14.9455 k = 0.0000 1.0512 1.0269 ( 3780 PWs) bands (ev): -36.8537 -36.8537 -36.8537 -36.8537 -16.2072 -16.2072 -16.2072 -16.2072 -14.5195 -14.5195 -14.5195 -14.5195 -14.4316 -14.4316 -14.4316 -14.4316 2.9204 2.9204 2.9204 2.9204 3.9499 3.9499 3.9499 3.9499 6.5076 6.5076 6.5076 6.5076 8.5537 8.5537 8.5537 8.5537 9.0416 9.0416 9.0416 9.0416 9.9384 9.9384 9.9384 9.9384 14.2751 14.2751 14.2751 14.2751 14.9455 14.9455 14.9455 14.9455 k = 0.0242 1.0512 1.0269 ( 3782 PWs) bands (ev): -36.8537 -36.8537 -36.8537 -36.8537 -16.2073 -16.2073 -16.2072 -16.2072 -14.5195 -14.5195 -14.5194 -14.5194 -14.4317 -14.4317 -14.4315 -14.4315 2.9201 2.9201 2.9206 2.9206 3.9496 3.9496 3.9499 3.9499 6.5058 6.5058 6.5087 6.5087 8.5521 8.5521 8.5575 8.5575 9.0410 9.0410 9.0420 9.0420 9.9383 9.9383 9.9384 9.9384 14.2731 14.2731 14.2757 14.2757 14.9449 14.9449 14.9450 14.9450 k = 0.0484 1.0512 1.0269 ( 3784 PWs) bands (ev): -36.8537 -36.8537 -36.8537 -36.8537 -16.2073 -16.2073 -16.2072 -16.2072 -14.5196 -14.5196 -14.5193 -14.5193 -14.4317 -14.4317 -14.4314 -14.4314 2.9198 2.9198 2.9208 2.9208 3.9491 3.9491 3.9497 3.9497 6.5035 6.5035 6.5092 6.5092 8.5527 8.5527 8.5634 8.5634 9.0400 9.0400 9.0421 9.0421 9.9384 9.9384 9.9385 9.9385 14.2699 14.2699 14.2751 14.2751 14.9434 14.9434 14.9435 14.9435 k = 0.0725 1.0512 1.0269 ( 3786 PWs) bands (ev): -36.8537 -36.8537 -36.8537 -36.8537 -16.2073 -16.2073 -16.2072 -16.2072 -14.5196 -14.5196 -14.5193 -14.5193 -14.4318 -14.4318 -14.4313 -14.4313 2.9195 2.9195 2.9209 2.9209 3.9484 3.9484 3.9493 3.9493 6.5008 6.5008 6.5091 6.5091 8.5553 8.5553 8.5712 8.5712 9.0387 9.0387 9.0418 9.0418 9.9384 9.9384 9.9386 9.9386 14.2656 14.2656 14.2733 14.2733 14.9411 14.9411 14.9411 14.9411 k = 0.0967 1.0512 1.0269 ( 3792 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2073 -16.2073 -16.2071 -16.2071 -14.5196 -14.5196 -14.5192 -14.5192 -14.4319 -14.4319 -14.4313 -14.4313 2.9191 2.9191 2.9210 2.9210 3.9474 3.9474 3.9486 3.9486 6.4977 6.4977 6.5085 6.5085 8.5599 8.5599 8.5806 8.5806 9.0373 9.0373 9.0414 9.0414 9.9384 9.9384 9.9388 9.9388 14.2603 14.2603 14.2704 14.2704 14.9377 14.9377 14.9380 14.9380 k = 0.1209 1.0512 1.0269 ( 3794 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2073 -16.2073 -16.2071 -16.2071 -14.5196 -14.5196 -14.5191 -14.5191 -14.4319 -14.4319 -14.4312 -14.4312 2.9187 2.9187 2.9210 2.9210 3.9460 3.9460 3.9476 3.9476 6.4947 6.4947 6.5076 6.5076 8.5661 8.5661 8.5914 8.5914 9.0356 9.0356 9.0407 9.0407 9.9384 9.9384 9.9388 9.9388 14.2545 14.2545 14.2668 14.2668 14.9333 14.9333 14.9342 14.9342 k = 0.1451 1.0512 1.0269 ( 3800 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2073 -16.2073 -16.2071 -16.2071 -14.5196 -14.5196 -14.5190 -14.5190 -14.4320 -14.4320 -14.4311 -14.4311 2.9183 2.9183 2.9210 2.9210 3.9444 3.9444 3.9463 3.9463 6.4918 6.4918 6.5066 6.5066 8.5737 8.5737 8.6030 8.6030 9.0340 9.0340 9.0400 9.0400 9.9382 9.9382 9.9388 9.9388 14.2483 14.2483 14.2627 14.2627 14.9282 14.9282 14.9299 14.9299 k = 0.1693 1.0512 1.0269 ( 3794 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2073 -16.2073 -16.2070 -16.2070 -14.5196 -14.5196 -14.5190 -14.5190 -14.4320 -14.4320 -14.4311 -14.4311 2.9179 2.9179 2.9209 2.9209 3.9424 3.9424 3.9446 3.9446 6.4895 6.4895 6.5057 6.5057 8.5822 8.5822 8.6151 8.6151 9.0324 9.0324 9.0393 9.0393 9.9377 9.9377 9.9386 9.9386 14.2422 14.2422 14.2585 14.2585 14.9221 14.9221 14.9250 14.9250 k = 0.1935 1.0512 1.0269 ( 3798 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2072 -16.2072 -16.2070 -16.2070 -14.5195 -14.5195 -14.5189 -14.5189 -14.4320 -14.4320 -14.4310 -14.4310 2.9175 2.9175 2.9208 2.9208 3.9400 3.9400 3.9425 3.9425 6.4878 6.4878 6.5052 6.5052 8.5913 8.5913 8.6271 8.6271 9.0310 9.0310 9.0387 9.0387 9.9371 9.9371 9.9381 9.9381 14.2366 14.2366 14.2545 14.2545 14.9149 14.9149 14.9196 14.9196 k = 0.2176 1.0512 1.0269 ( 3796 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2072 -16.2072 -16.2069 -16.2069 -14.5195 -14.5195 -14.5188 -14.5188 -14.4320 -14.4320 -14.4310 -14.4310 2.9170 2.9170 2.9206 2.9206 3.9371 3.9371 3.9400 3.9400 6.4873 6.4873 6.5053 6.5053 8.6004 8.6004 8.6386 8.6386 9.0300 9.0300 9.0383 9.0383 9.9361 9.9361 9.9375 9.9375 14.2316 14.2316 14.2509 14.2509 14.9067 14.9067 14.9135 14.9135 k = 0.2418 1.0512 1.0269 ( 3798 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2072 -16.2072 -16.2068 -16.2068 -14.5194 -14.5194 -14.5187 -14.5187 -14.4320 -14.4320 -14.4309 -14.4309 2.9166 2.9166 2.9203 2.9203 3.9338 3.9338 3.9371 3.9371 6.4880 6.4880 6.5063 6.5063 8.6090 8.6090 8.6488 8.6488 9.0295 9.0295 9.0382 9.0382 9.9348 9.9348 9.9366 9.9366 14.2277 14.2277 14.2480 14.2480 14.8971 14.8971 14.9066 14.9066 k = 0.2660 1.0512 1.0269 ( 3802 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2072 -16.2072 -16.2068 -16.2068 -14.5193 -14.5193 -14.5186 -14.5186 -14.4320 -14.4320 -14.4309 -14.4309 2.9161 2.9161 2.9199 2.9199 3.9300 3.9300 3.9336 3.9336 6.4902 6.4902 6.5085 6.5085 8.6166 8.6166 8.6573 8.6573 9.0298 9.0298 9.0387 9.0387 9.9332 9.9332 9.9354 9.9354 14.2248 14.2248 14.2459 14.2459 14.8862 14.8862 14.8987 14.8987 k = 0.2660 1.0512 1.0269 ( 3802 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2072 -16.2072 -16.2068 -16.2068 -14.5193 -14.5193 -14.5186 -14.5186 -14.4320 -14.4320 -14.4309 -14.4309 2.9161 2.9161 2.9199 2.9199 3.9300 3.9300 3.9336 3.9336 6.4902 6.4902 6.5085 6.5085 8.6166 8.6166 8.6573 8.6573 9.0298 9.0298 9.0387 9.0387 9.9332 9.9332 9.9354 9.9354 14.2248 14.2248 14.2459 14.2459 14.8862 14.8862 14.8987 14.8987 k = 0.2601 1.0279 1.0269 ( 3798 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2073 -16.2073 -16.2070 -16.2070 -14.5197 -14.5197 -14.5189 -14.5189 -14.4321 -14.4321 -14.4310 -14.4310 2.9178 2.9178 2.9212 2.9212 3.9432 3.9432 3.9453 3.9453 6.4831 6.4831 6.5026 6.5026 8.5880 8.5880 8.6269 8.6269 9.0279 9.0279 9.0369 9.0369 9.9397 9.9397 9.9400 9.9400 14.2282 14.2282 14.2475 14.2475 14.9321 14.9321 14.9335 14.9335 k = 0.2542 1.0045 1.0269 ( 3794 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2073 -16.2073 -16.2072 -16.2072 -14.5199 -14.5199 -14.5190 -14.5190 -14.4321 -14.4321 -14.4310 -14.4310 2.9188 2.9188 2.9217 2.9217 3.9497 3.9497 3.9503 3.9503 6.4870 6.4870 6.5078 6.5078 8.5589 8.5589 8.5962 8.5962 9.0280 9.0280 9.0371 9.0371 9.9437 9.9437 9.9455 9.9455 14.2174 14.2174 14.2360 14.2360 14.9604 14.9604 14.9742 14.9742 k = 0.2483 0.9812 1.0269 ( 3802 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2073 -16.2073 -16.2072 -16.2072 -14.5200 -14.5200 -14.5189 -14.5189 -14.4321 -14.4321 -14.4311 -14.4311 2.9191 2.9191 2.9214 2.9214 3.9486 3.9486 3.9495 3.9495 6.5021 6.5021 6.5242 6.5242 8.5296 8.5296 8.5652 8.5652 9.0298 9.0298 9.0391 9.0391 9.9469 9.9469 9.9510 9.9510 14.1912 14.1912 14.2106 14.2106 14.9787 14.9787 14.9975 14.9975 k = 0.2424 0.9578 1.0269 ( 3798 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2073 -16.2073 -16.2071 -16.2071 -14.5199 -14.5199 -14.5186 -14.5186 -14.4322 -14.4322 -14.4311 -14.4311 2.9184 2.9184 2.9202 2.9202 3.9405 3.9405 3.9429 3.9429 6.5280 6.5280 6.5513 6.5513 8.5001 8.5001 8.5341 8.5341 9.0332 9.0332 9.0428 9.0428 9.9503 9.9503 9.9567 9.9567 14.1500 14.1500 14.1715 14.1715 14.9888 14.9888 15.0060 15.0060 k = 0.2365 0.9344 1.0269 ( 3794 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2072 -16.2072 -16.2069 -16.2069 -14.5196 -14.5196 -14.5182 -14.5182 -14.4323 -14.4323 -14.4312 -14.4312 2.9168 2.9168 2.9181 2.9181 3.9267 3.9267 3.9303 3.9303 6.5642 6.5642 6.5886 6.5886 8.4707 8.4707 8.5030 8.5030 9.0381 9.0381 9.0479 9.0479 9.9542 9.9542 9.9629 9.9629 14.0955 14.0955 14.1200 14.1200 14.9944 14.9944 15.0081 15.0081 k = 0.2305 0.9111 1.0269 ( 3794 PWs) bands (ev): -36.8539 -36.8539 -36.8539 -36.8539 -16.2071 -16.2071 -16.2066 -16.2066 -14.5192 -14.5192 -14.5175 -14.5175 -14.4323 -14.4323 -14.4313 -14.4313 2.9140 2.9140 2.9148 2.9148 3.9076 3.9076 3.9124 3.9124 6.6100 6.6100 6.6354 6.6354 8.4416 8.4416 8.4721 8.4721 9.0444 9.0444 9.0544 9.0544 9.9591 9.9591 9.9702 9.9702 14.0302 14.0302 14.0579 14.0579 14.9984 14.9984 15.0084 15.0084 k = 0.2246 0.8877 1.0269 ( 3790 PWs) bands (ev): -36.8539 -36.8539 -36.8539 -36.8539 -16.2069 -16.2069 -16.2062 -16.2062 -14.5186 -14.5186 -14.5167 -14.5167 -14.4324 -14.4324 -14.4314 -14.4314 2.9100 2.9100 2.9104 2.9104 3.8842 3.8842 3.8900 3.8900 6.6646 6.6646 6.6908 6.6908 8.4131 8.4131 8.4416 8.4416 9.0519 9.0519 9.0621 9.0621 9.9654 9.9654 9.9789 9.9789 13.9563 13.9563 13.9874 13.9874 15.0015 15.0015 15.0083 15.0083 k = 0.2187 0.8644 1.0269 ( 3774 PWs) bands (ev): -36.8539 -36.8539 -36.8539 -36.8539 -16.2066 -16.2066 -16.2058 -16.2058 -14.5178 -14.5178 -14.5158 -14.5158 -14.4325 -14.4325 -14.4315 -14.4315 2.9046 2.9046 2.9046 2.9046 3.8572 3.8572 3.8638 3.8638 6.7271 6.7271 6.7538 6.7538 8.3853 8.3853 8.4119 8.4119 9.0607 9.0607 9.0708 9.0708 9.9737 9.9737 9.9894 9.9894 13.8763 13.8763 13.9104 13.9104 15.0039 15.0039 15.0083 15.0083 k = 0.2128 0.8410 1.0269 ( 3770 PWs) bands (ev): -36.8540 -36.8540 -36.8540 -36.8540 -16.2062 -16.2062 -16.2053 -16.2053 -14.5168 -14.5168 -14.5147 -14.5147 -14.4326 -14.4326 -14.4316 -14.4316 2.8973 2.8973 2.8977 2.8977 3.8275 3.8275 3.8347 3.8347 6.7962 6.7962 6.8232 6.8232 8.3589 8.3589 8.3832 8.3832 9.0705 9.0705 9.0805 9.0805 9.9842 9.9842 10.0021 10.0021 13.7918 13.7918 13.8287 13.8287 15.0057 15.0057 15.0082 15.0082 k = 0.2069 0.8176 1.0269 ( 3772 PWs) bands (ev): -36.8542 -36.8542 -36.8542 -36.8542 -16.2058 -16.2058 -16.2047 -16.2047 -14.5157 -14.5157 -14.5135 -14.5135 -14.4327 -14.4327 -14.4318 -14.4318 2.8885 2.8885 2.8891 2.8891 3.7958 3.7958 3.8035 3.8035 6.8709 6.8709 6.8978 6.8978 8.3342 8.3342 8.3561 8.3561 9.0815 9.0815 9.0911 9.0911 9.9972 9.9972 10.0173 10.0173 13.7045 13.7045 13.7440 13.7440 15.0066 15.0066 15.0077 15.0077 k = 0.2010 0.7943 1.0269 ( 3776 PWs) bands (ev): -36.8543 -36.8543 -36.8543 -36.8543 -16.2053 -16.2053 -16.2041 -16.2041 -14.5145 -14.5145 -14.5121 -14.5121 -14.4328 -14.4328 -14.4319 -14.4319 2.8779 2.8779 2.8787 2.8787 3.7631 3.7631 3.7710 3.7710 6.9497 6.9497 6.9762 6.9762 8.3122 8.3122 8.3312 8.3312 9.0935 9.0935 9.1027 9.1027 10.0131 10.0131 10.0352 10.0352 13.6157 13.6157 13.6574 13.6574 15.0066 15.0066 15.0068 15.0068 k = 0.1951 0.7709 1.0269 ( 3784 PWs) bands (ev): -36.8545 -36.8545 -36.8545 -36.8545 -16.2047 -16.2047 -16.2034 -16.2034 -14.5132 -14.5132 -14.5106 -14.5106 -14.4328 -14.4328 -14.4319 -14.4319 2.8654 2.8654 2.8664 2.8664 3.7299 3.7299 3.7379 3.7379 7.0313 7.0313 7.0568 7.0568 8.2936 8.2936 8.3094 8.3094 9.1066 9.1066 9.1151 9.1151 10.0320 10.0320 10.0560 10.0560 13.5264 13.5264 13.5701 13.5701 15.0052 15.0052 15.0055 15.0055 k = 0.1892 0.7475 1.0269 ( 3784 PWs) bands (ev): -36.8547 -36.8547 -36.8547 -36.8547 -16.2041 -16.2041 -16.2027 -16.2027 -14.5117 -14.5117 -14.5091 -14.5091 -14.4328 -14.4328 -14.4320 -14.4320 2.8510 2.8510 2.8520 2.8520 3.6970 3.6970 3.7049 3.7049 7.1137 7.1137 7.1376 7.1376 8.2801 8.2801 8.2920 8.2920 9.1208 9.1208 9.1285 9.1285 10.0541 10.0541 10.0799 10.0799 13.4375 13.4375 13.4829 13.4829 15.0028 15.0028 15.0035 15.0035 k = 0.1832 0.7242 1.0269 ( 3794 PWs) bands (ev): -36.8549 -36.8549 -36.8549 -36.8549 -16.2034 -16.2034 -16.2019 -16.2019 -14.5101 -14.5101 -14.5074 -14.5074 -14.4328 -14.4328 -14.4320 -14.4320 2.8345 2.8345 2.8354 2.8354 3.6649 3.6649 3.6724 3.6724 7.1948 7.1948 7.2163 7.2163 8.2733 8.2733 8.2805 8.2805 9.1362 9.1362 9.1429 9.1429 10.0795 10.0795 10.1070 10.1070 13.3496 13.3496 13.3966 13.3966 14.9995 14.9995 15.0004 15.0004 k = 0.1773 0.7008 1.0269 ( 3790 PWs) bands (ev): -36.8550 -36.8550 -36.8550 -36.8550 -16.2027 -16.2027 -16.2011 -16.2011 -14.5085 -14.5085 -14.5057 -14.5057 -14.4327 -14.4327 -14.4320 -14.4320 2.8160 2.8160 2.8167 2.8167 3.6339 3.6339 3.6410 3.6410 7.2721 7.2721 7.2901 7.2901 8.2755 8.2755 8.2771 8.2771 9.1528 9.1528 9.1584 9.1584 10.1082 10.1082 10.1373 10.1373 13.2633 13.2633 13.3118 13.3118 14.9954 14.9954 14.9962 14.9962 k = 0.1714 0.6775 1.0269 ( 3782 PWs) bands (ev): -36.8552 -36.8552 -36.8552 -36.8552 -16.2019 -16.2019 -16.2002 -16.2002 -14.5068 -14.5068 -14.5040 -14.5040 -14.4326 -14.4326 -14.4319 -14.4319 2.7953 2.7953 2.7958 2.7958 3.6046 3.6046 3.6111 3.6111 7.3424 7.3424 7.3560 7.3560 8.2845 8.2845 8.2895 8.2895 9.1708 9.1708 9.1751 9.1751 10.1403 10.1403 10.1710 10.1710 13.1791 13.1791 13.2290 13.2290 14.9903 14.9903 14.9911 14.9911 k = 0.1655 0.6541 1.0269 ( 3786 PWs) bands (ev): -36.8555 -36.8555 -36.8554 -36.8554 -16.2011 -16.2011 -16.1993 -16.1993 -14.5051 -14.5051 -14.5022 -14.5022 -14.4324 -14.4324 -14.4317 -14.4317 2.7727 2.7727 2.7728 2.7728 3.5770 3.5770 3.5829 3.5829 7.4025 7.4025 7.4108 7.4108 8.3054 8.3054 8.3178 8.3178 9.1903 9.1903 9.1932 9.1932 10.1756 10.1756 10.2078 10.2078 13.0974 13.0974 13.1487 13.1487 14.9844 14.9844 14.9849 14.9849 k = 0.1596 0.6307 1.0269 ( 3790 PWs) bands (ev): -36.8557 -36.8557 -36.8557 -36.8557 -16.2003 -16.2003 -16.1984 -16.1984 -14.5033 -14.5033 -14.5005 -14.5005 -14.4320 -14.4320 -14.4315 -14.4315 2.7479 2.7479 2.7481 2.7481 3.5514 3.5514 3.5565 3.5565 7.4497 7.4497 7.4525 7.4525 8.3420 8.3420 8.3622 8.3622 9.2115 9.2115 9.2128 9.2128 10.2141 10.2141 10.2478 10.2478 13.0186 13.0186 13.0713 13.0713 14.9776 14.9776 14.9779 14.9779 k = 0.1537 0.6074 1.0269 ( 3790 PWs) bands (ev): -36.8559 -36.8559 -36.8559 -36.8559 -16.1994 -16.1994 -16.1975 -16.1975 -14.5016 -14.5016 -14.4988 -14.4988 -14.4316 -14.4316 -14.4312 -14.4312 2.7212 2.7212 2.7218 2.7218 3.5278 3.5278 3.5321 3.5321 7.4802 7.4802 7.4826 7.4826 8.3954 8.3954 8.4230 8.4230 9.2344 9.2344 9.2346 9.2346 10.2557 10.2557 10.2909 10.2909 12.9431 12.9431 12.9972 12.9972 14.9700 14.9700 14.9700 14.9700 k = 0.1478 0.5840 1.0269 ( 3786 PWs) bands (ev): -36.8561 -36.8561 -36.8561 -36.8561 -16.1985 -16.1985 -16.1965 -16.1965 -14.4999 -14.4999 -14.4971 -14.4971 -14.4311 -14.4311 -14.4307 -14.4307 2.6929 2.6929 2.6940 2.6940 3.5063 3.5063 3.5096 3.5096 7.4947 7.4947 7.5016 7.5016 8.4647 8.4647 8.4988 8.4988 9.2581 9.2581 9.2598 9.2598 10.3001 10.3001 10.3370 10.3370 12.8710 12.8710 12.9266 12.9266 14.9612 14.9612 14.9615 14.9615 k = 0.1419 0.5607 1.0269 ( 3784 PWs) bands (ev): -36.8564 -36.8564 -36.8564 -36.8564 -16.1976 -16.1976 -16.1956 -16.1956 -14.4982 -14.4982 -14.4955 -14.4955 -14.4304 -14.4304 -14.4302 -14.4302 2.6634 2.6634 2.6649 2.6649 3.4866 3.4866 3.4891 3.4891 7.4982 7.4982 7.5083 7.5083 8.5475 8.5475 8.5869 8.5869 9.2844 9.2844 9.2876 9.2876 10.3472 10.3472 10.3860 10.3860 12.8029 12.8029 12.8600 12.8600 14.9516 14.9516 14.9523 14.9523 k = 0.1360 0.5373 1.0269 ( 3780 PWs) bands (ev): -36.8566 -36.8566 -36.8566 -36.8566 -16.1966 -16.1966 -16.1946 -16.1946 -14.4967 -14.4967 -14.4940 -14.4940 -14.4296 -14.4296 -14.4295 -14.4295 2.6329 2.6329 2.6348 2.6348 3.4687 3.4687 3.4704 3.4704 7.4929 7.4929 7.5053 7.5053 8.6406 8.6406 8.6842 8.6842 9.3140 9.3140 9.3184 9.3184 10.3969 10.3969 10.4376 10.4376 12.7388 12.7388 12.7977 12.7977 14.9411 14.9411 14.9422 14.9422 k = 0.1300 0.5139 1.0269 ( 3784 PWs) bands (ev): -36.8569 -36.8569 -36.8569 -36.8569 -16.1957 -16.1957 -16.1936 -16.1936 -14.4952 -14.4952 -14.4926 -14.4926 -14.4286 -14.4286 -14.4286 -14.4286 2.6017 2.6017 2.6040 2.6040 3.4525 3.4525 3.4534 3.4534 7.4811 7.4811 7.4949 7.4949 8.7405 8.7405 8.7872 8.7872 9.3476 9.3476 9.3529 9.3529 10.4488 10.4488 10.4918 10.4918 12.6793 12.6793 12.7400 12.7400 14.9296 14.9296 14.9313 14.9313 k = 0.1241 0.4906 1.0269 ( 3786 PWs) bands (ev): -36.8571 -36.8571 -36.8571 -36.8571 -16.1947 -16.1947 -16.1927 -16.1927 -14.4938 -14.4938 -14.4914 -14.4914 -14.4277 -14.4277 -14.4275 -14.4275 2.5702 2.5702 2.5728 2.5728 3.4379 3.4379 3.4379 3.4379 7.4646 7.4646 7.4791 7.4791 8.8439 8.8439 8.8923 8.8923 9.3868 9.3868 9.3920 9.3920 10.5027 10.5027 10.5484 10.5484 12.6246 12.6246 12.6875 12.6875 14.9169 14.9169 14.9192 14.9192 k = 0.1182 0.4672 1.0269 ( 3790 PWs) bands (ev): -36.8574 -36.8574 -36.8574 -36.8574 -16.1938 -16.1938 -16.1918 -16.1918 -14.4925 -14.4925 -14.4903 -14.4903 -14.4266 -14.4266 -14.4263 -14.4263 2.5385 2.5385 2.5414 2.5414 3.4239 3.4239 3.4245 3.4245 7.4448 7.4448 7.4597 7.4597 8.9471 8.9471 8.9956 8.9956 9.4334 9.4334 9.4373 9.4373 10.5585 10.5585 10.6072 10.6072 12.5751 12.5751 12.6404 12.6404 14.9026 14.9026 14.9056 14.9056 k = 0.1123 0.4439 1.0269 ( 3794 PWs) bands (ev): -36.8577 -36.8577 -36.8577 -36.8577 -16.1928 -16.1928 -16.1908 -16.1908 -14.4914 -14.4914 -14.4893 -14.4893 -14.4253 -14.4253 -14.4249 -14.4249 2.5071 2.5071 2.5102 2.5102 3.4112 3.4112 3.4124 3.4124 7.4228 7.4228 7.4377 7.4377 9.0466 9.0466 9.0930 9.0930 9.4902 9.4902 9.4905 9.4905 10.6160 10.6160 10.6681 10.6681 12.5313 12.5313 12.5993 12.5993 14.8858 14.8858 14.8897 14.8897 k = 0.1064 0.4205 1.0269 ( 3794 PWs) bands (ev): -36.8579 -36.8579 -36.8579 -36.8579 -16.1919 -16.1919 -16.1899 -16.1899 -14.4904 -14.4904 -14.4884 -14.4884 -14.4240 -14.4240 -14.4235 -14.4235 2.4760 2.4760 2.4793 2.4793 3.3995 3.3995 3.4013 3.4013 7.3994 7.3994 7.4142 7.4142 9.1387 9.1387 9.1802 9.1802 9.5534 9.5534 9.5595 9.5595 10.6750 10.6750 10.7310 10.7310 12.4936 12.4936 12.5646 12.5646 14.8646 14.8646 14.8693 14.8693 k = 0.1005 0.3971 1.0269 ( 3786 PWs) bands (ev): -36.8581 -36.8581 -36.8581 -36.8581 -16.1910 -16.1910 -16.1891 -16.1891 -14.4896 -14.4896 -14.4877 -14.4877 -14.4225 -14.4225 -14.4219 -14.4219 2.4457 2.4457 2.4491 2.4491 3.3890 3.3890 3.3912 3.3912 7.3754 7.3754 7.3898 7.3898 9.2209 9.2209 9.2551 9.2551 9.6273 9.6273 9.6420 9.6420 10.7356 10.7356 10.7959 10.7959 12.4625 12.4625 12.5369 12.5369 14.8353 14.8353 14.8398 14.8398 k = 0.0946 0.3738 1.0269 ( 3794 PWs) bands (ev): -36.8584 -36.8584 -36.8584 -36.8584 -16.1901 -16.1901 -16.1882 -16.1882 -14.4888 -14.4888 -14.4872 -14.4872 -14.4209 -14.4209 -14.4202 -14.4202 2.4162 2.4162 2.4196 2.4196 3.3793 3.3793 3.3819 3.3819 7.3512 7.3512 7.3651 7.3651 9.2921 9.2921 9.3183 9.3183 9.7112 9.7112 9.7354 9.7354 10.7977 10.7977 10.8629 10.8629 12.4385 12.4385 12.5166 12.5166 14.7908 14.7908 14.7919 14.7919 k = 0.0887 0.3504 1.0269 ( 3790 PWs) bands (ev): -36.8586 -36.8586 -36.8586 -36.8586 -16.1892 -16.1892 -16.1874 -16.1874 -14.4882 -14.4882 -14.4867 -14.4867 -14.4193 -14.4193 -14.4185 -14.4185 2.3877 2.3877 2.3912 2.3912 3.3705 3.3705 3.3733 3.3733 7.3272 7.3272 7.3405 7.3405 9.3536 9.3536 9.3725 9.3725 9.8021 9.8021 9.8351 9.8351 10.8619 10.8619 10.9322 10.9322 12.4219 12.4219 12.5043 12.5043 14.7192 14.7192 14.7249 14.7249 k = 0.0828 0.3271 1.0269 ( 3790 PWs) bands (ev): -36.8588 -36.8588 -36.8588 -36.8588 -16.1884 -16.1884 -16.1866 -16.1866 -14.4877 -14.4877 -14.4864 -14.4864 -14.4176 -14.4176 -14.4167 -14.4167 2.3605 2.3605 2.3639 2.3639 3.3624 3.3624 3.3655 3.3655 7.3037 7.3037 7.3164 7.3164 9.4077 9.4077 9.4205 9.4205 9.8961 9.8961 9.9364 9.9364 10.9287 10.9287 11.0042 11.0042 12.4132 12.4132 12.5002 12.5002 14.6284 14.6284 14.6404 14.6404 k = 0.0768 0.3037 1.0269 ( 3786 PWs) bands (ev): -36.8590 -36.8590 -36.8590 -36.8590 -16.1876 -16.1876 -16.1859 -16.1859 -14.4873 -14.4873 -14.4861 -14.4861 -14.4159 -14.4159 -14.4150 -14.4150 2.3346 2.3346 2.3380 2.3380 3.3551 3.3551 3.3583 3.3583 7.2811 7.2811 7.2930 7.2930 9.4562 9.4562 9.4643 9.4643 9.9890 9.9890 10.0348 10.0348 10.9990 10.9990 11.0795 11.0795 12.4125 12.4125 12.5043 12.5043 14.5291 14.5291 14.5455 14.5455 k = 0.0709 0.2803 1.0269 ( 3778 PWs) bands (ev): -36.8592 -36.8592 -36.8592 -36.8592 -16.1868 -16.1868 -16.1852 -16.1852 -14.4870 -14.4870 -14.4859 -14.4859 -14.4142 -14.4142 -14.4133 -14.4133 2.3102 2.3102 2.3135 2.3135 3.3484 3.3484 3.3516 3.3516 7.2594 7.2594 7.2706 7.2706 9.5008 9.5008 9.5053 9.5053 10.0773 10.0773 10.1268 10.1268 11.0739 11.0739 11.1587 11.1587 12.4196 12.4196 12.5166 12.5166 14.4274 14.4274 14.4469 14.4469 k = 0.0650 0.2570 1.0269 ( 3778 PWs) bands (ev): -36.8594 -36.8594 -36.8594 -36.8594 -16.1861 -16.1861 -16.1846 -16.1846 -14.4868 -14.4868 -14.4858 -14.4858 -14.4125 -14.4125 -14.4116 -14.4116 2.2874 2.2874 2.2906 2.2906 3.3423 3.3423 3.3456 3.3456 7.2390 7.2390 7.2494 7.2494 9.5424 9.5424 9.5441 9.5441 10.1583 10.1583 10.2095 10.2095 11.1544 11.1544 11.2425 11.2425 12.4340 12.4340 12.5362 12.5362 14.3267 14.3267 14.3485 14.3485 k = 0.0591 0.2336 1.0269 ( 3774 PWs) bands (ev): -36.8595 -36.8595 -36.8595 -36.8595 -16.1854 -16.1854 -16.1840 -16.1840 -14.4866 -14.4866 -14.4857 -14.4857 -14.4109 -14.4109 -14.4100 -14.4100 2.2664 2.2664 2.2693 2.2693 3.3368 3.3368 3.3400 3.3400 7.2200 7.2200 7.2295 7.2295 9.5810 9.5810 9.5814 9.5814 10.2299 10.2299 10.2809 10.2809 11.2413 11.2413 11.3315 11.3315 12.4544 12.4544 12.5618 12.5618 14.2300 14.2300 14.2536 14.2536 k = 0.0532 0.2102 1.0269 ( 3766 PWs) bands (ev): -36.8597 -36.8597 -36.8597 -36.8597 -16.1848 -16.1848 -16.1835 -16.1835 -14.4865 -14.4865 -14.4857 -14.4857 -14.4093 -14.4093 -14.4085 -14.4085 2.2471 2.2471 2.2498 2.2498 3.3319 3.3319 3.3350 3.3350 7.2025 7.2025 7.2111 7.2111 9.6161 9.6161 9.6181 9.6181 10.2911 10.2911 10.3400 10.3400 11.3348 11.3348 11.4257 11.4257 12.4788 12.4788 12.5911 12.5911 14.1401 14.1401 14.1651 14.1651 k = 0.0473 0.1869 1.0269 ( 3764 PWs) bands (ev): -36.8598 -36.8598 -36.8598 -36.8598 -16.1842 -16.1842 -16.1831 -16.1831 -14.4864 -14.4864 -14.4857 -14.4857 -14.4078 -14.4078 -14.4070 -14.4070 2.2297 2.2297 2.2322 2.2322 3.3276 3.3276 3.3304 3.3304 7.1866 7.1866 7.1943 7.1943 9.6493 9.6493 9.6524 9.6524 10.3415 10.3415 10.3869 10.3869 11.4343 11.4343 11.5248 11.5248 12.5045 12.5045 12.6209 12.6209 14.0606 14.0606 14.0863 14.0863 k = 0.0414 0.1635 1.0269 ( 3776 PWs) bands (ev): -36.8600 -36.8600 -36.8600 -36.8600 -16.1836 -16.1836 -16.1827 -16.1827 -14.4863 -14.4863 -14.4858 -14.4858 -14.4065 -14.4065 -14.4058 -14.4058 2.2142 2.2142 2.2164 2.2164 3.3238 3.3238 3.3264 3.3264 7.1724 7.1724 7.1792 7.1792 9.6803 9.6803 9.6840 9.6840 10.3817 10.3817 10.4225 10.4225 11.5385 11.5385 11.6278 11.6278 12.5276 12.5276 12.6469 12.6469 13.9956 13.9956 14.0208 14.0208 k = 0.0355 0.1402 1.0269 ( 3780 PWs) bands (ev): -36.8601 -36.8601 -36.8601 -36.8601 -16.1832 -16.1832 -16.1823 -16.1823 -14.4863 -14.4863 -14.4858 -14.4858 -14.4053 -14.4053 -14.4046 -14.4046 2.2007 2.2007 2.2026 2.2026 3.3205 3.3205 3.3228 3.3228 7.1600 7.1600 7.1659 7.1659 9.7086 9.7086 9.7127 9.7127 10.4128 10.4128 10.4483 10.4483 11.6460 11.6460 11.7337 11.7337 12.5436 12.5436 12.6639 12.6639 13.9501 13.9501 13.9730 13.9730 k = 0.0296 0.1168 1.0269 ( 3796 PWs) bands (ev): -36.8603 -36.8603 -36.8603 -36.8603 -16.1828 -16.1828 -16.1820 -16.1820 -14.4863 -14.4863 -14.4859 -14.4859 -14.4042 -14.4042 -14.4037 -14.4037 2.1892 2.1892 2.1909 2.1909 3.3178 3.3178 3.3198 3.3198 7.1495 7.1495 7.1544 7.1544 9.7340 9.7340 9.7381 9.7381 10.4362 10.4362 10.4660 10.4660 11.7547 11.7547 11.8406 11.8406 12.5480 12.5480 12.6664 12.6664 13.9287 13.9287 13.9469 13.9469 k = 0.0236 0.0934 1.0269 ( 3796 PWs) bands (ev): -36.8603 -36.8603 -36.8603 -36.8603 -16.1824 -16.1824 -16.1818 -16.1818 -14.4863 -14.4863 -14.4860 -14.4860 -14.4033 -14.4033 -14.4029 -14.4029 2.1798 2.1798 2.1811 2.1811 3.3156 3.3156 3.3172 3.3172 7.1409 7.1409 7.1449 7.1449 9.7559 9.7559 9.7597 9.7597 10.4533 10.4533 10.4773 10.4773 11.8628 11.8628 11.9467 11.9467 12.5374 12.5374 12.6507 12.6507 13.9346 13.9346 13.9456 13.9456 k = 0.0177 0.0701 1.0269 ( 3800 PWs) bands (ev): -36.8604 -36.8604 -36.8604 -36.8604 -16.1821 -16.1821 -16.1817 -16.1817 -14.4862 -14.4862 -14.4860 -14.4860 -14.4026 -14.4026 -14.4023 -14.4023 2.1725 2.1725 2.1735 2.1735 3.3140 3.3140 3.3152 3.3152 7.1343 7.1343 7.1373 7.1373 9.7738 9.7738 9.7769 9.7769 10.4656 10.4656 10.4836 10.4836 11.9677 11.9677 12.0489 12.0489 12.5110 12.5110 12.6159 12.6159 13.9675 13.9675 13.9696 13.9696 k = 0.0118 0.0467 1.0269 ( 3804 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1819 -16.1819 -16.1816 -16.1816 -14.4862 -14.4862 -14.4861 -14.4861 -14.4021 -14.4021 -14.4018 -14.4018 2.1673 2.1673 2.1680 2.1680 3.3128 3.3128 3.3137 3.3137 7.1297 7.1297 7.1317 7.1317 9.7872 9.7872 9.7894 9.7894 10.4743 10.4743 10.4863 10.4863 12.0663 12.0663 12.1413 12.1413 12.4734 12.4734 12.5648 12.5648 14.0165 14.0165 14.0236 14.0236 k = 0.0059 0.0234 1.0269 ( 3804 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1816 -16.1816 -14.4862 -14.4862 -14.4861 -14.4861 -14.4017 -14.4017 -14.4016 -14.4016 2.1643 2.1643 2.1646 2.1646 3.3123 3.3123 3.3127 3.3127 7.1272 7.1272 7.1282 7.1282 9.7956 9.7956 9.7968 9.7968 10.4803 10.4803 10.4863 10.4863 12.1528 12.1528 12.2075 12.2075 12.4412 12.4412 12.5043 12.5043 14.0787 14.0787 14.0920 14.0920 k = 0.0000 0.0000 1.0269 ( 3808 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4862 -14.4862 -14.4862 -14.4862 -14.4015 -14.4015 -14.4015 -14.4015 2.1633 2.1633 2.1633 2.1633 3.3122 3.3122 3.3122 3.3122 7.1266 7.1266 7.1266 7.1266 9.7989 9.7989 9.7989 9.7989 10.4843 10.4843 10.4843 10.4843 12.2113 12.2113 12.2113 12.2113 12.4514 12.4514 12.4514 12.4514 14.1275 14.1275 14.1275 14.1275 k = 0.0000 0.0000 1.0269 ( 3808 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4862 -14.4862 -14.4862 -14.4862 -14.4015 -14.4015 -14.4015 -14.4015 2.1633 2.1633 2.1633 2.1633 3.3122 3.3122 3.3122 3.3122 7.1266 7.1266 7.1266 7.1266 9.7989 9.7989 9.7989 9.7989 10.4843 10.4843 10.4843 10.4843 12.2113 12.2113 12.2113 12.2113 12.4514 12.4514 12.4514 12.4514 14.1275 14.1275 14.1275 14.1275 k = 0.0000 0.0000 1.0024 ( 3796 PWs) bands (ev): -36.8607 -36.8607 -36.8603 -36.8603 -16.1823 -16.1823 -16.1808 -16.1808 -14.4871 -14.4871 -14.4850 -14.4850 -14.4024 -14.4024 -14.4007 -14.4007 2.0462 2.0462 2.2823 2.2823 3.2183 3.2183 3.4072 3.4072 7.0244 7.0244 7.2319 7.2319 9.7913 9.7913 9.8078 9.8078 10.4833 10.4833 10.4838 10.4838 12.1355 12.1355 12.2863 12.2863 12.3954 12.3954 12.5077 12.5077 14.0159 14.0159 14.2103 14.2103 k = 0.0000 0.0000 0.9780 ( 3798 PWs) bands (ev): -36.8609 -36.8609 -36.8602 -36.8602 -16.1829 -16.1829 -16.1799 -16.1799 -14.4878 -14.4878 -14.4836 -14.4836 -14.4033 -14.4033 -14.3999 -14.3999 1.9309 1.9309 2.4028 2.4028 3.1256 3.1256 3.5031 3.5031 6.9255 6.9255 7.3396 7.3396 9.7852 9.7852 9.8178 9.8178 10.4811 10.4811 10.4816 10.4816 12.0601 12.0601 12.3362 12.3362 12.3644 12.3644 12.5617 12.5617 13.9075 13.9075 14.2178 14.2178 k = 0.0000 0.0000 0.9535 ( 3796 PWs) bands (ev): -36.8611 -36.8611 -36.8601 -36.8601 -16.1834 -16.1834 -16.1789 -16.1789 -14.4883 -14.4883 -14.4820 -14.4820 -14.4042 -14.4042 -14.3991 -14.3991 1.8176 1.8176 2.5247 2.5247 3.0345 3.0345 3.5996 3.5996 6.8306 6.8306 7.4495 7.4495 9.7806 9.7806 9.8287 9.8287 10.4773 10.4773 10.4780 10.4780 11.9859 11.9859 12.2872 12.2872 12.4326 12.4326 12.6105 12.6105 13.8085 13.8085 14.2137 14.2137 k = 0.0000 0.0000 0.9291 ( 3784 PWs) bands (ev): -36.8613 -36.8613 -36.8599 -36.8599 -16.1838 -16.1838 -16.1779 -16.1779 -14.4886 -14.4886 -14.4802 -14.4802 -14.4051 -14.4051 -14.3983 -14.3983 1.7064 1.7064 2.6476 2.6476 2.9452 2.9452 3.6964 3.6964 6.7403 6.7403 7.5611 7.5611 9.7776 9.7776 9.8404 9.8404 10.4708 10.4708 10.4740 10.4740 11.9138 11.9138 12.2396 12.2396 12.4996 12.4996 12.6498 12.6498 13.7233 13.7233 14.2145 14.2145 k = 0.0000 0.0000 0.9046 ( 3794 PWs) bands (ev): -36.8616 -36.8616 -36.8599 -36.8599 -16.1842 -16.1842 -16.1767 -16.1767 -14.4887 -14.4887 -14.4781 -14.4781 -14.4059 -14.4059 -14.3976 -14.3976 1.5974 1.5974 2.7697 2.7697 2.8594 2.8594 3.7930 3.7930 6.6552 6.6552 7.6740 7.6740 9.7762 9.7762 9.8524 9.8524 10.4616 10.4616 10.4694 10.4694 11.8446 11.8446 12.1967 12.1967 12.5614 12.5614 12.6748 12.6748 13.6572 13.6572 14.2233 14.2233 k = 0.0000 0.0000 0.8802 ( 3788 PWs) bands (ev): -36.8618 -36.8618 -36.8598 -36.8598 -16.1844 -16.1844 -16.1755 -16.1755 -14.4886 -14.4886 -14.4759 -14.4759 -14.4068 -14.4068 -14.3969 -14.3969 1.4906 1.4906 2.7679 2.7679 2.9000 2.9000 3.8891 3.8891 6.5760 6.5760 7.7879 7.7879 9.7765 9.7765 9.8644 9.8644 10.4496 10.4496 10.4643 10.4643 11.7791 11.7791 12.1594 12.1594 12.6160 12.6160 12.6812 12.6812 13.6153 13.6153 14.2411 14.2411 k = 0.0000 0.0000 0.8557 ( 3784 PWs) bands (ev): -36.8621 -36.8621 -36.8597 -36.8597 -16.1846 -16.1846 -16.1742 -16.1742 -14.4882 -14.4882 -14.4734 -14.4734 -14.4077 -14.4077 -14.3963 -14.3963 1.3861 1.3861 2.6849 2.6849 3.0239 3.0239 3.9843 3.9843 6.5038 6.5038 7.9024 7.9024 9.7784 9.7784 9.8761 9.8761 10.4345 10.4345 10.4587 10.4587 11.7180 11.7180 12.1282 12.1282 12.6455 12.6455 12.6823 12.6823 13.6007 13.6007 14.2687 14.2687 k = 0.0000 0.0000 0.8313 ( 3786 PWs) bands (ev): -36.8624 -36.8624 -36.8597 -36.8597 -16.1846 -16.1846 -16.1728 -16.1728 -14.4878 -14.4878 -14.4708 -14.4708 -14.4085 -14.4085 -14.3956 -14.3956 1.2839 1.2839 2.6028 2.6028 3.1485 3.1485 4.0780 4.0780 6.4395 6.4395 8.0170 8.0170 9.7818 9.7818 9.8868 9.8868 10.4163 10.4163 10.4527 10.4527 11.6620 11.6620 12.1036 12.1036 12.6116 12.6116 12.7167 12.7167 13.6128 13.6128 14.3061 14.3061 k = 0.0000 0.0000 0.8068 ( 3786 PWs) bands (ev): -36.8628 -36.8628 -36.8597 -36.8597 -16.1846 -16.1846 -16.1713 -16.1713 -14.4871 -14.4871 -14.4680 -14.4680 -14.4093 -14.4093 -14.3951 -14.3951 1.1842 1.1842 2.5227 2.5227 3.2723 3.2723 4.1699 4.1699 6.3844 6.3844 8.1314 8.1314 9.7869 9.7869 9.8962 9.8962 10.3948 10.3948 10.4463 10.4463 11.6120 11.6120 12.0857 12.0857 12.5512 12.5512 12.7513 12.7513 13.6470 13.6470 14.3518 14.3518 k = 0.0000 0.0000 0.7824 ( 3794 PWs) bands (ev): -36.8631 -36.8631 -36.8598 -36.8598 -16.1845 -16.1845 -16.1698 -16.1698 -14.4864 -14.4864 -14.4650 -14.4650 -14.4100 -14.4100 -14.3945 -14.3945 1.0869 1.0869 2.4445 2.4445 3.3939 3.3939 4.2596 4.2596 6.3397 6.3397 8.2451 8.2451 9.7934 9.7934 9.9037 9.9037 10.3702 10.3702 10.4396 10.4396 11.5686 11.5686 12.0747 12.0747 12.4760 12.4760 12.7800 12.7800 13.6976 13.6976 14.3160 14.3160 k = 0.0000 0.0000 0.7579 ( 3794 PWs) bands (ev): -36.8635 -36.8635 -36.8598 -36.8598 -16.1844 -16.1844 -16.1682 -16.1682 -14.4855 -14.4855 -14.4618 -14.4618 -14.4106 -14.4106 -14.3940 -14.3940 0.9921 0.9921 2.3685 2.3685 3.5122 3.5122 4.3470 4.3470 6.3069 6.3069 8.3576 8.3576 9.8014 9.8014 9.9087 9.9087 10.3427 10.3427 10.4324 10.4324 11.5326 11.5326 12.0703 12.0703 12.3917 12.3917 12.8028 12.8028 13.7591 13.7591 14.2318 14.2318 k = 0.0000 0.0000 0.7335 ( 3790 PWs) bands (ev): -36.8638 -36.8638 -36.8598 -36.8598 -16.1841 -16.1841 -16.1666 -16.1666 -14.4845 -14.4845 -14.4586 -14.4586 -14.4112 -14.4112 -14.3934 -14.3934 0.8998 0.8998 2.2946 2.2946 3.6252 3.6252 4.4327 4.4327 6.2873 6.2873 8.4684 8.4684 9.8107 9.8107 9.9107 9.9107 10.3127 10.3127 10.4249 10.4249 11.5046 11.5046 12.0718 12.0718 12.3027 12.3027 12.8206 12.8206 13.8272 13.8272 14.1495 14.1495 k = 0.0000 0.0000 0.7090 ( 3788 PWs) bands (ev): -36.8642 -36.8642 -36.8599 -36.8599 -16.1838 -16.1838 -16.1650 -16.1650 -14.4834 -14.4834 -14.4552 -14.4552 -14.4116 -14.4116 -14.3930 -14.3930 0.8101 0.8101 2.2230 2.2230 3.7305 3.7305 4.5177 4.5177 6.2822 6.2822 8.5769 8.5769 9.8212 9.8212 9.9093 9.9093 10.2804 10.2804 10.4168 10.4168 11.4851 11.4851 12.0761 12.0761 12.2142 12.2142 12.8343 12.8343 13.8984 13.8984 14.0711 14.0711 k = 0.0000 0.0000 0.6846 ( 3800 PWs) bands (ev): -36.8646 -36.8646 -36.8600 -36.8600 -16.1835 -16.1835 -16.1633 -16.1633 -14.4823 -14.4823 -14.4517 -14.4517 -14.4119 -14.4119 -14.3925 -14.3925 0.7231 0.7231 2.1536 2.1536 3.8253 3.8253 4.6038 4.6038 6.2924 6.2924 8.6825 8.6825 9.8328 9.8328 9.9042 9.9042 10.2463 10.2463 10.4081 10.4081 11.4745 11.4745 12.0641 12.0641 12.1470 12.1470 12.8449 12.8449 13.9694 13.9694 13.9980 13.9980 k = 0.0000 0.0000 0.6601 ( 3797 PWs) bands (ev): -36.8650 -36.8650 -36.8601 -36.8601 -16.1831 -16.1831 -16.1615 -16.1615 -14.4811 -14.4811 -14.4481 -14.4481 -14.4121 -14.4121 -14.3920 -14.3920 0.6387 0.6387 2.0865 2.0865 3.9066 3.9066 4.6936 4.6936 6.3185 6.3185 8.7845 8.7845 9.8454 9.8454 9.8953 9.8953 10.2112 10.2112 10.3987 10.3987 11.4730 11.4730 11.9952 11.9952 12.1425 12.1425 12.8534 12.8534 13.9307 13.9307 14.0353 14.0353 k = 0.0000 0.0000 0.6357 ( 3805 PWs) bands (ev): -36.8654 -36.8654 -36.8602 -36.8602 -16.1826 -16.1826 -16.1598 -16.1598 -14.4800 -14.4800 -14.4445 -14.4445 -14.4121 -14.4121 -14.3915 -14.3915 0.5571 0.5571 2.0216 2.0216 3.9718 3.9718 4.7896 4.7896 6.3602 6.3602 8.8823 8.8823 9.8589 9.8589 9.8824 9.8824 10.1754 10.1754 10.3886 10.3886 11.4803 11.4803 11.9056 11.9056 12.1653 12.1653 12.8607 12.8607 13.8710 13.8710 14.0032 14.0032 k = 0.0000 0.0000 0.6112 ( 3797 PWs) bands (ev): -36.8658 -36.8658 -36.8603 -36.8603 -16.1821 -16.1821 -16.1580 -16.1580 -14.4788 -14.4788 -14.4410 -14.4410 -14.4119 -14.4119 -14.3911 -14.3911 0.4781 0.4781 1.9592 1.9592 4.0196 4.0196 4.8938 4.8938 6.4169 6.4169 8.9749 8.9749 9.8658 9.8658 9.8731 9.8731 10.1397 10.1397 10.3775 10.3775 11.4958 11.4958 11.8142 11.8142 12.1972 12.1972 12.8677 12.8677 13.8196 13.8196 13.9218 13.9218 k = 0.0000 0.0000 0.5868 ( 3797 PWs) bands (ev): -36.8661 -36.8661 -36.8605 -36.8605 -16.1816 -16.1816 -16.1563 -16.1563 -14.4778 -14.4778 -14.4374 -14.4374 -14.4115 -14.4115 -14.3906 -14.3906 0.4020 0.4020 1.8990 1.8990 4.0504 4.0504 5.0067 5.0067 6.4875 6.4875 9.0615 9.0615 9.8459 9.8459 9.8877 9.8877 10.1048 10.1048 10.3653 10.3653 11.5173 11.5173 11.7261 11.7261 12.2351 12.2351 12.8751 12.8751 13.7771 13.7771 13.8379 13.8379 k = 0.0000 0.0000 0.5623 ( 3789 PWs) bands (ev): -36.8665 -36.8665 -36.8606 -36.8606 -16.1810 -16.1810 -16.1545 -16.1545 -14.4768 -14.4768 -14.4339 -14.4339 -14.4109 -14.4109 -14.3900 -14.3900 0.3286 0.3286 1.8413 1.8413 4.0657 4.0657 5.1279 5.1279 6.5706 6.5706 9.1412 9.1412 9.8230 9.8230 9.9028 9.9028 10.0714 10.0714 10.3519 10.3519 11.5344 11.5344 11.6520 11.6520 12.2780 12.2780 12.8835 12.8835 13.7443 13.7443 13.7528 13.7528 k = 0.0000 0.0000 0.5379 ( 3789 PWs) bands (ev): -36.8669 -36.8669 -36.8607 -36.8607 -16.1805 -16.1805 -16.1528 -16.1528 -14.4759 -14.4759 -14.4305 -14.4305 -14.4100 -14.4100 -14.3894 -14.3894 0.2581 0.2581 1.7859 1.7859 4.0682 4.0682 5.2563 5.2563 6.6646 6.6646 9.2131 9.2131 9.7976 9.7976 9.9180 9.9180 10.0405 10.0405 10.3371 10.3371 11.5034 11.5034 11.6358 11.6358 12.3254 12.3254 12.8935 12.8935 13.6660 13.6660 13.7223 13.7223 k = 0.0000 0.0000 0.5134 ( 3795 PWs) bands (ev): -36.8673 -36.8673 -36.8609 -36.8609 -16.1799 -16.1799 -16.1510 -16.1510 -14.4751 -14.4751 -14.4273 -14.4273 -14.4089 -14.4089 -14.3887 -14.3887 0.1905 0.1905 1.7329 1.7329 4.0603 4.0603 5.3906 5.3906 6.7681 6.7681 9.2760 9.2760 9.7703 9.7703 9.9329 9.9329 10.0132 10.0132 10.3207 10.3207 11.4289 11.4289 11.6726 11.6726 12.3767 12.3767 12.9056 12.9056 13.5780 13.5780 13.7111 13.7111 k = 0.0000 0.0000 0.4890 ( 3801 PWs) bands (ev): -36.8677 -36.8677 -36.8611 -36.8611 -16.1793 -16.1793 -16.1493 -16.1493 -14.4745 -14.4745 -14.4242 -14.4242 -14.4076 -14.4076 -14.3879 -14.3879 0.1258 0.1258 1.6823 1.6823 4.0445 4.0445 5.5295 5.5295 6.8796 6.8796 9.3290 9.3290 9.7414 9.7414 9.9467 9.9467 9.9912 9.9912 10.3025 10.3025 11.3472 11.3472 11.7257 11.7257 12.4315 12.4315 12.9201 12.9201 13.4885 13.4885 13.7112 13.7112 k = 0.0000 0.0000 0.4645 ( 3801 PWs) bands (ev): -36.8680 -36.8680 -36.8612 -36.8612 -16.1786 -16.1786 -16.1476 -16.1476 -14.4740 -14.4740 -14.4214 -14.4214 -14.4061 -14.4061 -14.3869 -14.3869 0.0640 0.0640 1.6341 1.6341 4.0227 4.0227 5.6719 5.6719 6.9979 6.9979 9.3714 9.3714 9.7116 9.7116 9.9546 9.9546 9.9798 9.9798 10.2822 10.2822 11.2654 11.2654 11.7877 11.7877 12.4895 12.4895 12.9373 12.9373 13.3975 13.3975 13.7230 13.7230 k = 0.0000 0.0000 0.4401 ( 3805 PWs) bands (ev): -36.8684 -36.8684 -36.8614 -36.8614 -16.1780 -16.1780 -16.1460 -16.1460 -14.4736 -14.4736 -14.4188 -14.4188 -14.4045 -14.4045 -14.3857 -14.3857 0.0052 0.0052 1.5884 1.5884 3.9968 3.9968 5.8168 5.8168 7.1220 7.1220 9.4025 9.4025 9.6813 9.6813 9.9501 9.9501 9.9861 9.9861 10.2596 10.2596 11.1854 11.1854 11.8564 11.8564 12.5502 12.5502 12.9576 12.9576 13.3049 13.3049 13.7464 13.7464 k = 0.0000 0.0000 0.4156 ( 3805 PWs) bands (ev): -36.8688 -36.8688 -36.8616 -36.8616 -16.1774 -16.1774 -16.1444 -16.1444 -14.4733 -14.4733 -14.4164 -14.4164 -14.4029 -14.4029 -14.3843 -14.3843 -0.0507 -0.0507 1.5451 1.5451 3.9680 3.9680 5.9635 5.9635 7.2508 7.2508 9.4227 9.4227 9.6508 9.6508 9.9443 9.9443 9.9987 9.9987 10.2344 10.2344 11.1075 11.1075 11.9309 11.9309 12.6134 12.6134 12.9810 12.9810 13.2108 13.2108 13.7813 13.7813 k = 0.0000 0.0000 0.3912 ( 3809 PWs) bands (ev): -36.8692 -36.8692 -36.8617 -36.8617 -16.1768 -16.1768 -16.1429 -16.1429 -14.4731 -14.4731 -14.4142 -14.4142 -14.4013 -14.4013 -14.3826 -14.3826 -0.1035 -0.1035 1.5042 1.5042 3.9375 3.9375 6.1113 6.1113 7.3835 7.3835 9.4329 9.4329 9.6206 9.6206 9.9422 9.9422 10.0120 10.0120 10.2064 10.2064 11.0321 11.0321 12.0107 12.0107 12.6786 12.6786 13.0073 13.0073 13.1156 13.1156 13.8274 13.8274 k = 0.0000 0.0000 0.3667 ( 3803 PWs) bands (ev): -36.8695 -36.8695 -36.8619 -36.8619 -16.1762 -16.1762 -16.1414 -16.1414 -14.4730 -14.4730 -14.4122 -14.4122 -14.3998 -14.3998 -14.3807 -14.3807 -0.1532 -0.1532 1.4658 1.4658 3.9061 3.9061 6.2594 6.2594 7.5193 7.5193 9.4345 9.4345 9.5909 9.5909 9.9436 9.9436 10.0250 10.0250 10.1753 10.1753 10.9592 10.9592 12.0950 12.0950 12.7454 12.7454 13.0113 13.0113 13.0453 13.0453 13.8839 13.8839 k = 0.0000 0.0000 0.3423 ( 3799 PWs) bands (ev): -36.8698 -36.8698 -36.8620 -36.8620 -16.1757 -16.1757 -16.1400 -16.1400 -14.4731 -14.4731 -14.4104 -14.4104 -14.3984 -14.3984 -14.3785 -14.3785 -0.1999 -0.1999 1.4298 1.4298 3.8746 3.8746 6.4072 6.4072 7.6575 7.6575 9.4296 9.4296 9.5621 9.5621 9.9472 9.9472 10.0373 10.0373 10.1409 10.1409 10.8889 10.8889 12.1835 12.1835 12.8118 12.8118 12.9195 12.9195 13.0749 13.0749 13.9502 13.9502 k = 0.0000 0.0000 0.3178 ( 3801 PWs) bands (ev): -36.8701 -36.8701 -36.8621 -36.8621 -16.1751 -16.1751 -16.1387 -16.1387 -14.4731 -14.4731 -14.4087 -14.4087 -14.3971 -14.3971 -14.3763 -14.3763 -0.2434 -0.2434 1.3963 1.3963 3.8436 3.8436 6.5541 6.5541 7.7975 7.7975 9.4200 9.4200 9.5344 9.5344 9.9518 9.9518 10.0485 10.0485 10.1034 10.1034 10.8210 10.8210 12.2756 12.2756 12.8114 12.8114 12.8908 12.8908 13.1124 13.1124 14.0250 14.0250 k = 0.0000 0.0000 0.2934 ( 3793 PWs) bands (ev): -36.8704 -36.8704 -36.8622 -36.8622 -16.1746 -16.1746 -16.1374 -16.1374 -14.4733 -14.4733 -14.4073 -14.4073 -14.3958 -14.3958 -14.3739 -14.3739 -0.2839 -0.2839 1.3653 1.3653 3.8136 3.8136 6.6993 6.6993 7.9385 7.9385 9.4073 9.4073 9.5080 9.5080 9.9564 9.9564 10.0523 10.0523 10.0689 10.0689 10.7555 10.7555 12.3702 12.3702 12.7163 12.7163 12.9578 12.9578 13.1538 13.1538 14.1069 14.1069 k = 0.0000 0.0000 0.2689 ( 3801 PWs) bands (ev): -36.8707 -36.8707 -36.8624 -36.8624 -16.1741 -16.1741 -16.1363 -16.1363 -14.4735 -14.4735 -14.4061 -14.4061 -14.3946 -14.3946 -14.3715 -14.3715 -0.3212 -0.3212 1.3367 1.3367 3.7849 3.7849 6.8421 6.8421 8.0800 8.0800 9.3929 9.3929 9.4831 9.4831 9.9602 9.9602 10.0142 10.0142 10.0721 10.0721 10.6919 10.6919 12.4639 12.4639 12.6225 12.6225 13.0281 13.0281 13.1987 13.1987 14.1898 14.1898 k = 0.0000 0.0000 0.2445 ( 3793 PWs) bands (ev): -36.8709 -36.8709 -36.8625 -36.8625 -16.1736 -16.1736 -16.1352 -16.1352 -14.4737 -14.4737 -14.4051 -14.4051 -14.3934 -14.3934 -14.3692 -14.3692 -0.3553 -0.3553 1.3106 1.3106 3.7578 3.7578 6.9816 6.9816 8.2212 8.2212 9.3776 9.3776 9.4599 9.4599 9.9575 9.9575 9.9718 9.9718 10.0808 10.0808 10.6299 10.6299 12.4962 12.4962 12.5935 12.5935 13.0986 13.0986 13.2470 13.2470 14.1876 14.1876 k = 0.0000 0.0000 0.2200 ( 3793 PWs) bands (ev): -36.8712 -36.8712 -36.8626 -36.8626 -16.1732 -16.1732 -16.1342 -16.1342 -14.4739 -14.4739 -14.4043 -14.4043 -14.3922 -14.3922 -14.3670 -14.3670 -0.3862 -0.3862 1.2870 1.2870 3.7327 3.7327 7.1169 7.1169 8.3614 8.3614 9.3624 9.3624 9.4385 9.4385 9.9120 9.9120 9.9677 9.9677 10.0889 10.0889 10.5691 10.5691 12.4132 12.4132 12.6843 12.6843 13.1684 13.1684 13.2984 13.2984 14.1586 14.1586 k = 0.0000 0.0000 0.1956 ( 3793 PWs) bands (ev): -36.8714 -36.8714 -36.8627 -36.8627 -16.1728 -16.1728 -16.1333 -16.1333 -14.4742 -14.4742 -14.4036 -14.4036 -14.3910 -14.3910 -14.3649 -14.3649 -0.4140 -0.4140 1.2659 1.2659 3.7097 3.7097 7.2467 7.2467 8.4997 8.4997 9.3477 9.3477 9.4190 9.4190 9.8579 9.8579 9.9687 9.9687 10.0963 10.0963 10.5088 10.5088 12.3235 12.3235 12.7869 12.7869 13.2366 13.2366 13.3524 13.3524 14.1296 14.1296 k = 0.0000 0.0000 0.1711 ( 3797 PWs) bands (ev): -36.8716 -36.8716 -36.8628 -36.8628 -16.1725 -16.1725 -16.1325 -16.1325 -14.4744 -14.4744 -14.4031 -14.4031 -14.3900 -14.3900 -14.3630 -14.3630 -0.4385 -0.4385 1.2472 1.2472 3.6890 3.6890 7.3697 7.3697 8.6350 8.6350 9.3340 9.3340 9.4014 9.4014 9.8017 9.8017 9.9691 9.9691 10.1029 10.1029 10.4488 10.4488 12.2379 12.2379 12.8913 12.8913 13.3023 13.3023 13.4085 13.4085 14.1017 14.1017 k = 0.0000 0.0000 0.1467 ( 3793 PWs) bands (ev): -36.8718 -36.8718 -36.8629 -36.8629 -16.1721 -16.1721 -16.1318 -16.1318 -14.4746 -14.4746 -14.4027 -14.4027 -14.3890 -14.3890 -14.3613 -14.3613 -0.4597 -0.4597 1.2311 1.2311 3.6708 3.6708 7.4841 7.4841 8.7661 8.7661 9.3216 9.3216 9.3860 9.3860 9.7445 9.7445 9.9689 9.9689 10.1085 10.1085 10.3889 10.3889 12.1589 12.1589 12.9953 12.9953 13.3644 13.3644 13.4661 13.4661 14.0760 14.0760 k = 0.0000 0.0000 0.1222 ( 3799 PWs) bands (ev): -36.8719 -36.8719 -36.8630 -36.8630 -16.1719 -16.1719 -16.1312 -16.1312 -14.4748 -14.4748 -14.4024 -14.4024 -14.3881 -14.3881 -14.3598 -14.3598 -0.4778 -0.4778 1.2174 1.2174 3.6552 3.6552 7.5879 7.5879 8.8915 8.8915 9.3109 9.3109 9.3729 9.3729 9.6874 9.6874 9.9684 9.9684 10.1133 10.1133 10.3295 10.3295 12.0885 12.0885 13.0971 13.0971 13.4216 13.4216 13.5238 13.5238 14.0529 14.0529 k = 0.0000 0.0000 0.0978 ( 3797 PWs) bands (ev): -36.8720 -36.8720 -36.8630 -36.8630 -16.1717 -16.1717 -16.1307 -16.1307 -14.4750 -14.4750 -14.4022 -14.4022 -14.3873 -14.3873 -14.3586 -14.3586 -0.4925 -0.4925 1.2062 1.2062 3.6424 3.6424 7.6788 7.6788 9.0090 9.0090 9.3020 9.3020 9.3624 9.3624 9.6315 9.6315 9.9676 9.9676 10.1172 10.1172 10.2720 10.2720 12.0283 12.0283 13.1938 13.1938 13.4722 13.4722 13.5802 13.5802 14.0330 14.0330 k = 0.0000 0.0000 0.0733 ( 3793 PWs) bands (ev): -36.8721 -36.8721 -36.8630 -36.8630 -16.1715 -16.1715 -16.1303 -16.1303 -14.4751 -14.4751 -14.4020 -14.4020 -14.3867 -14.3867 -14.3576 -14.3576 -0.5040 -0.5040 1.1975 1.1975 3.6323 3.6323 7.7539 7.7539 9.1154 9.1154 9.2953 9.2953 9.3553 9.3553 9.5774 9.5774 9.9668 9.9668 10.1203 10.1203 10.2187 10.2187 11.9798 11.9798 13.2814 13.2814 13.5146 13.5146 13.6326 13.6326 14.0169 14.0169 k = 0.0000 0.0000 0.0489 ( 3795 PWs) bands (ev): -36.8722 -36.8722 -36.8631 -36.8631 -16.1714 -16.1714 -16.1300 -16.1300 -14.4752 -14.4752 -14.4019 -14.4019 -14.3863 -14.3863 -14.3569 -14.3569 -0.5122 -0.5122 1.1912 1.1912 3.6250 3.6250 7.8104 7.8104 9.2047 9.2047 9.2915 9.2915 9.3548 9.3548 9.5248 9.5248 9.9661 9.9661 10.1224 10.1224 10.1741 10.1741 11.9443 11.9443 13.3540 13.3540 13.5468 13.5468 13.6769 13.6769 14.0049 14.0049 k = 0.0000 0.0000 0.0244 ( 3791 PWs) bands (ev): -36.8722 -36.8722 -36.8631 -36.8631 -16.1713 -16.1713 -16.1299 -16.1299 -14.4752 -14.4752 -14.4018 -14.4018 -14.3860 -14.3860 -14.3565 -14.3565 -0.5172 -0.5172 1.1875 1.1875 3.6207 3.6207 7.8456 7.8456 9.2603 9.2603 9.2939 9.2939 9.3709 9.3709 9.4728 9.4728 9.9656 9.9656 10.1238 10.1238 10.1436 10.1436 11.9226 11.9226 13.4033 13.4033 13.5671 13.5671 13.7076 13.7076 13.9973 13.9973 k = 0.0000 0.0000 0.0000 ( 3795 PWs) bands (ev): -36.8723 -36.8723 -36.8631 -36.8631 -16.1713 -16.1713 -16.1298 -16.1298 -14.4753 -14.4753 -14.4018 -14.4018 -14.3859 -14.3859 -14.3564 -14.3564 -0.5188 -0.5188 1.1863 1.1863 3.6192 3.6192 7.8576 7.8576 9.2720 9.2720 9.2994 9.2994 9.4023 9.4023 9.4322 9.4322 9.9654 9.9654 10.1243 10.1243 10.1326 10.1326 11.9153 11.9153 13.4210 13.4210 13.5741 13.5741 13.7188 13.7188 13.9947 13.9947 k = 0.0000 0.0000 0.0000 ( 3795 PWs) bands (ev): -36.8723 -36.8723 -36.8631 -36.8631 -16.1713 -16.1713 -16.1298 -16.1298 -14.4753 -14.4753 -14.4018 -14.4018 -14.3859 -14.3859 -14.3564 -14.3564 -0.5188 -0.5188 1.1863 1.1863 3.6192 3.6192 7.8576 7.8576 9.2720 9.2720 9.2994 9.2994 9.4023 9.4023 9.4322 9.4322 9.9654 9.9654 10.1243 10.1243 10.1326 10.1326 11.9153 11.9153 13.4210 13.4210 13.5741 13.5741 13.7188 13.7188 13.9947 13.9947 k =-0.0238 0.0060 0.0000 ( 3793 PWs) bands (ev): -36.8722 -36.8722 -36.8631 -36.8631 -16.1712 -16.1712 -16.1298 -16.1298 -14.4752 -14.4752 -14.4018 -14.4018 -14.3859 -14.3859 -14.3564 -14.3564 -0.5173 -0.5173 1.1819 1.1819 3.6245 3.6245 7.8579 7.8579 9.2095 9.2095 9.2883 9.2883 9.4021 9.4021 9.5021 9.5021 9.9671 9.9671 10.1262 10.1262 10.1317 10.1317 11.9123 11.9123 13.4207 13.4207 13.5747 13.5747 13.7192 13.7192 13.9989 13.9989 k =-0.0476 0.0120 0.0000 ( 3795 PWs) bands (ev): -36.8722 -36.8722 -36.8631 -36.8631 -16.1712 -16.1712 -16.1299 -16.1299 -14.4750 -14.4750 -14.4019 -14.4019 -14.3859 -14.3859 -14.3565 -14.3565 -0.5129 -0.5129 1.1689 1.1689 3.6405 3.6405 7.8590 7.8590 9.0912 9.0912 9.2868 9.2868 9.4015 9.4015 9.6094 9.6094 9.9734 9.9734 10.1292 10.1292 10.1317 10.1317 11.9036 11.9036 13.4197 13.4197 13.5767 13.5767 13.7205 13.7205 14.0115 14.0115 k =-0.0714 0.0181 0.0000 ( 3795 PWs) bands (ev): -36.8723 -36.8723 -36.8631 -36.8631 -16.1710 -16.1710 -16.1300 -16.1300 -14.4747 -14.4747 -14.4021 -14.4021 -14.3858 -14.3858 -14.3567 -14.3567 -0.5055 -0.5055 1.1478 1.1478 3.6665 3.6665 7.8606 7.8606 8.9649 8.9649 9.2859 9.2859 9.4009 9.4009 9.7098 9.7098 9.9897 9.9897 10.1250 10.1250 10.1406 10.1406 11.8898 11.8898 13.4181 13.4181 13.5799 13.5799 13.7227 13.7227 14.0321 14.0321 k =-0.0952 0.0241 0.0000 ( 3803 PWs) bands (ev): -36.8723 -36.8723 -36.8631 -36.8631 -16.1709 -16.1709 -16.1302 -16.1302 -14.4743 -14.4743 -14.4024 -14.4024 -14.3857 -14.3857 -14.3570 -14.3570 -0.4952 -0.4952 1.1190 1.1190 3.7018 3.7018 7.8629 7.8629 8.8365 8.8365 9.2845 9.2845 9.4006 9.4006 9.7868 9.7868 10.0273 10.0273 10.1194 10.1194 10.1527 10.1527 11.8719 11.8719 13.4159 13.4159 13.5842 13.5842 13.7255 13.7255 14.0570 14.0570 k =-0.1190 0.0301 0.0000 ( 3799 PWs) bands (ev): -36.8722 -36.8722 -36.8631 -36.8631 -16.1706 -16.1706 -16.1304 -16.1304 -14.4738 -14.4738 -14.4027 -14.4027 -14.3857 -14.3857 -14.3573 -14.3573 -0.4821 -0.4821 1.0835 1.0835 3.7457 3.7457 7.8658 7.8658 8.7077 8.7077 9.2823 9.2823 9.4011 9.4011 9.8297 9.8297 10.0921 10.0921 10.1151 10.1151 10.1678 10.1678 11.8515 11.8515 13.4132 13.4132 13.5897 13.5897 13.7290 13.7290 14.0424 14.0424 k =-0.1429 0.0361 0.0000 ( 3799 PWs) bands (ev): -36.8722 -36.8722 -36.8632 -36.8632 -16.1704 -16.1704 -16.1307 -16.1307 -14.4732 -14.4732 -14.4031 -14.4031 -14.3855 -14.3855 -14.3576 -14.3576 -0.4660 -0.4660 1.0421 1.0421 3.7970 3.7970 7.8691 7.8691 8.5795 8.5795 9.2792 9.2792 9.4027 9.4027 9.8466 9.8466 10.1013 10.1013 10.1812 10.1812 10.1902 10.1902 11.8301 11.8301 13.4100 13.4100 13.5962 13.5962 13.7329 13.7329 13.9860 13.9860 k =-0.1667 0.0422 0.0000 ( 3799 PWs) bands (ev): -36.8722 -36.8722 -36.8632 -36.8632 -16.1701 -16.1701 -16.1310 -16.1310 -14.4725 -14.4725 -14.4036 -14.4036 -14.3854 -14.3854 -14.3581 -14.3581 -0.4472 -0.4472 0.9956 0.9956 3.8546 3.8546 7.8728 7.8728 8.4526 8.4526 9.2749 9.2749 9.4058 9.4058 9.8505 9.8505 10.0915 10.0915 10.2040 10.2040 10.2824 10.2824 11.8098 11.8098 13.4066 13.4066 13.6035 13.6035 13.7369 13.7369 13.9255 13.9255 k =-0.1905 0.0482 0.0000 ( 3799 PWs) bands (ev): -36.8722 -36.8722 -36.8632 -36.8632 -16.1697 -16.1697 -16.1313 -16.1313 -14.4718 -14.4718 -14.4041 -14.4041 -14.3853 -14.3853 -14.3585 -14.3585 -0.4256 -0.4256 0.9451 0.9451 3.9173 3.9173 7.8768 7.8768 8.3278 8.3278 9.2695 9.2695 9.4104 9.4104 9.8485 9.8485 10.0802 10.0802 10.2251 10.2251 10.3768 10.3768 11.7928 11.7928 13.4028 13.4028 13.6116 13.6116 13.7404 13.7404 13.8650 13.8650 k =-0.2143 0.0542 0.0000 ( 3799 PWs) bands (ev): -36.8722 -36.8722 -36.8632 -36.8632 -16.1694 -16.1694 -16.1316 -16.1316 -14.4709 -14.4709 -14.4046 -14.4046 -14.3852 -14.3852 -14.3590 -14.3590 -0.4014 -0.4014 0.8913 0.8913 3.9839 3.9839 7.8807 7.8807 8.2059 8.2059 9.2633 9.2633 9.4166 9.4166 9.8436 9.8436 10.0678 10.0678 10.2472 10.2472 10.4653 10.4653 11.7817 11.7817 13.3990 13.3990 13.6202 13.6202 13.7408 13.7408 13.8084 13.8084 k =-0.2381 0.0602 0.0000 ( 3803 PWs) bands (ev): -36.8721 -36.8721 -36.8633 -36.8633 -16.1690 -16.1690 -16.1320 -16.1320 -14.4700 -14.4700 -14.4052 -14.4052 -14.3850 -14.3850 -14.3595 -14.3595 -0.3746 -0.3746 0.8350 0.8350 4.0532 4.0532 7.8841 7.8841 8.0881 8.0881 9.2565 9.2565 9.4241 9.4241 9.8373 9.8373 10.0546 10.0546 10.2698 10.2698 10.5447 10.5447 11.7787 11.7787 13.3951 13.3951 13.6290 13.6290 13.7228 13.7228 13.7721 13.7721 k =-0.2619 0.0663 0.0000 ( 3801 PWs) bands (ev): -36.8721 -36.8721 -36.8633 -36.8633 -16.1686 -16.1686 -16.1324 -16.1324 -14.4691 -14.4691 -14.4058 -14.4058 -14.3849 -14.3849 -14.3600 -14.3600 -0.3454 -0.3454 0.7771 0.7771 4.1240 4.1240 7.8841 7.8841 7.9780 7.9780 9.2494 9.2494 9.4327 9.4327 9.8306 9.8306 10.0408 10.0408 10.2926 10.2926 10.6125 10.6125 11.7859 11.7859 13.3912 13.3912 13.6371 13.6371 13.6765 13.6765 13.7673 13.7673 k =-0.2857 0.0723 0.0000 ( 3800 PWs) bands (ev): -36.8721 -36.8721 -36.8633 -36.8633 -16.1682 -16.1682 -16.1328 -16.1328 -14.4682 -14.4682 -14.4065 -14.4065 -14.3847 -14.3847 -14.3605 -14.3605 -0.3139 -0.3139 0.7182 0.7182 4.1949 4.1949 7.8456 7.8456 7.9114 7.9114 9.2421 9.2421 9.4422 9.4422 9.8239 9.8239 10.0266 10.0266 10.3150 10.3150 10.6674 10.6674 11.8046 11.8046 13.3874 13.3874 13.6197 13.6197 13.6510 13.6510 13.7700 13.7700 k =-0.3095 0.0783 0.0000 ( 3796 PWs) bands (ev): -36.8720 -36.8720 -36.8633 -36.8633 -16.1678 -16.1678 -16.1331 -16.1331 -14.4673 -14.4673 -14.4071 -14.4071 -14.3845 -14.3845 -14.3610 -14.3610 -0.2804 -0.2804 0.6591 0.6591 4.2646 4.2646 7.7509 7.7509 7.9068 7.9068 9.2351 9.2351 9.4522 9.4522 9.8175 9.8175 10.0123 10.0123 10.3367 10.3367 10.7090 10.7090 11.8348 11.8348 13.3839 13.3839 13.5716 13.5716 13.6583 13.6583 13.7739 13.7739 k =-0.3333 0.0843 0.0000 ( 3796 PWs) bands (ev): -36.8720 -36.8720 -36.8633 -36.8633 -16.1674 -16.1674 -16.1335 -16.1335 -14.4664 -14.4664 -14.4078 -14.4078 -14.3844 -14.3844 -14.3615 -14.3615 -0.2452 -0.2452 0.6004 0.6004 4.3316 4.3316 7.6562 7.6562 7.9093 7.9093 9.2285 9.2285 9.4624 9.4624 9.8118 9.8118 9.9983 9.9983 10.3571 10.3571 10.7381 10.7381 11.8750 11.8750 13.3806 13.3806 13.5260 13.5260 13.6665 13.6665 13.7781 13.7781 k =-0.3571 0.0904 0.0000 ( 3806 PWs) bands (ev): -36.8720 -36.8720 -36.8634 -36.8634 -16.1671 -16.1671 -16.1339 -16.1339 -14.4655 -14.4655 -14.4084 -14.4084 -14.3843 -14.3843 -14.3619 -14.3619 -0.2086 -0.2086 0.5429 0.5429 4.3945 4.3945 7.5688 7.5688 7.9126 7.9126 9.2225 9.2225 9.4724 9.4724 9.8068 9.8068 9.9849 9.9849 10.3758 10.3758 10.7568 10.7568 11.9223 11.9223 13.3777 13.3777 13.4848 13.4848 13.6742 13.6742 13.7821 13.7821 k =-0.3810 0.0964 0.0000 ( 3808 PWs) bands (ev): -36.8720 -36.8720 -36.8634 -36.8634 -16.1667 -16.1667 -16.1342 -16.1342 -14.4648 -14.4648 -14.4089 -14.4089 -14.3841 -14.3841 -14.3623 -14.3623 -0.1714 -0.1714 0.4876 0.4876 4.4517 4.4517 7.4910 7.4910 7.9158 7.9158 9.2172 9.2172 9.4819 9.4819 9.8026 9.8026 9.9725 9.9725 10.3924 10.3924 10.7673 10.7673 11.9729 11.9729 13.3751 13.3751 13.4489 13.4489 13.6812 13.6812 13.7857 13.7857 k =-0.4048 0.1024 0.0000 ( 3812 PWs) bands (ev): -36.8721 -36.8721 -36.8634 -36.8634 -16.1665 -16.1665 -16.1344 -16.1344 -14.4641 -14.4641 -14.4094 -14.4094 -14.3840 -14.3840 -14.3626 -14.3626 -0.1347 -0.1347 0.4357 0.4357 4.5015 4.5015 7.4244 7.4244 7.9186 7.9186 9.2127 9.2127 9.4904 9.4904 9.7993 9.7993 9.9615 9.9615 10.4066 10.4066 10.7723 10.7723 12.0226 12.0226 13.3729 13.3729 13.4188 13.4188 13.6873 13.6873 13.7888 13.7888 k =-0.4286 0.1084 0.0000 ( 3796 PWs) bands (ev): -36.8720 -36.8720 -36.8633 -36.8633 -16.1662 -16.1662 -16.1347 -16.1347 -14.4636 -14.4636 -14.4098 -14.4098 -14.3840 -14.3840 -14.3629 -14.3629 -0.0999 -0.0999 0.3890 0.3890 4.5424 4.5424 7.3706 7.3706 7.9209 7.9209 9.2091 9.2091 9.4975 9.4975 9.7968 9.7968 9.9523 9.9523 10.4180 10.4180 10.7739 10.7739 12.0670 12.0670 13.3712 13.3712 13.3950 13.3950 13.6921 13.6921 13.7914 13.7914 k =-0.4524 0.1145 0.0000 ( 3784 PWs) bands (ev): -36.8720 -36.8720 -36.8633 -36.8633 -16.1660 -16.1660 -16.1348 -16.1348 -14.4632 -14.4632 -14.4101 -14.4101 -14.3839 -14.3839 -14.3631 -14.3631 -0.0700 -0.0700 0.3504 0.3504 4.5728 4.5728 7.3309 7.3309 7.9226 7.9226 9.2065 9.2065 9.5030 9.5030 9.7951 9.7951 9.9454 9.9454 10.4263 10.4263 10.7738 10.7738 12.1023 12.1023 13.3699 13.3699 13.3778 13.3778 13.6958 13.6958 13.7932 13.7932 k =-0.4762 0.1205 0.0000 ( 3780 PWs) bands (ev): -36.8720 -36.8720 -36.8633 -36.8633 -16.1659 -16.1659 -16.1349 -16.1349 -14.4629 -14.4629 -14.4103 -14.4103 -14.3839 -14.3839 -14.3632 -14.3632 -0.0488 -0.0488 0.3240 0.3240 4.5915 4.5915 7.3066 7.3066 7.9237 7.9237 9.2049 9.2049 9.5063 9.5063 9.7941 9.7941 9.9411 9.9411 10.4314 10.4314 10.7733 10.7733 12.1249 12.1249 13.3671 13.3671 13.3694 13.3694 13.6980 13.6980 13.7944 13.7944 k =-0.5000 0.1265 0.0000 ( 3778 PWs) bands (ev): -36.8720 -36.8720 -36.8632 -36.8632 -16.1659 -16.1659 -16.1349 -16.1349 -14.4628 -14.4628 -14.4104 -14.4104 -14.3838 -14.3838 -14.3632 -14.3632 -0.0410 -0.0410 0.3145 0.3145 4.5979 4.5979 7.2985 7.2985 7.9240 7.9240 9.2044 9.2044 9.5075 9.5075 9.7938 9.7938 9.9397 9.9397 10.4331 10.4331 10.7730 10.7730 12.1328 12.1328 13.3637 13.3637 13.3690 13.3690 13.6987 13.6987 13.7948 13.7948 k =-0.5000 0.1265 0.0000 ( 3778 PWs) bands (ev): -36.8720 -36.8720 -36.8632 -36.8632 -16.1659 -16.1659 -16.1349 -16.1349 -14.4628 -14.4628 -14.4104 -14.4104 -14.3838 -14.3838 -14.3632 -14.3632 -0.0410 -0.0410 0.3145 0.3145 4.5979 4.5979 7.2985 7.2985 7.9240 7.9240 9.2044 9.2044 9.5075 9.5075 9.7938 9.7938 9.9397 9.9397 10.4331 10.4331 10.7730 10.7730 12.1328 12.1328 13.3637 13.3637 13.3690 13.3690 13.6987 13.6987 13.7948 13.7948 k =-0.4940 0.1502-0.0000 ( 3786 PWs) bands (ev): -36.8720 -36.8720 -36.8633 -36.8633 -16.1659 -16.1659 -16.1350 -16.1350 -14.4629 -14.4629 -14.4105 -14.4105 -14.3839 -14.3839 -14.3632 -14.3632 -0.0395 -0.0395 0.3157 0.3157 4.5994 4.5994 7.2979 7.2979 7.9081 7.9081 9.2145 9.2145 9.5090 9.5090 9.7941 9.7941 9.9384 9.9384 10.4139 10.4139 10.7934 10.7934 12.1382 12.1382 13.3469 13.3469 13.3590 13.3590 13.7157 13.7157 13.7779 13.7779 k =-0.4880 0.1739-0.0000 ( 3786 PWs) bands (ev): -36.8719 -36.8719 -36.8633 -36.8633 -16.1661 -16.1661 -16.1351 -16.1351 -14.4630 -14.4630 -14.4108 -14.4108 -14.3841 -14.3841 -14.3632 -14.3632 -0.0351 -0.0351 0.3192 0.3192 4.6038 4.6038 7.2963 7.2963 7.8622 7.8622 9.2429 9.2429 9.5135 9.5135 9.7953 9.7953 9.9348 9.9348 10.3664 10.3664 10.8446 10.8446 12.1546 12.1546 13.3014 13.3014 13.3343 13.3343 13.7065 13.7065 13.7844 13.7844 k =-0.4820 0.1977-0.0000 ( 3794 PWs) bands (ev): -36.8719 -36.8719 -36.8633 -36.8633 -16.1663 -16.1663 -16.1354 -16.1354 -14.4631 -14.4631 -14.4114 -14.4114 -14.3845 -14.3845 -14.3632 -14.3632 -0.0278 -0.0278 0.3251 0.3251 4.6112 4.6112 7.2935 7.2935 7.7907 7.7907 9.2846 9.2846 9.5211 9.5211 9.7971 9.7971 9.9286 9.9286 10.3063 10.3063 10.9118 10.9118 12.1816 12.1816 13.2431 13.2431 13.2957 13.2957 13.6342 13.6342 13.8485 13.8485 k =-0.4760 0.2214-0.0000 ( 3794 PWs) bands (ev): -36.8718 -36.8718 -36.8632 -36.8632 -16.1665 -16.1665 -16.1357 -16.1357 -14.4633 -14.4633 -14.4123 -14.4123 -14.3850 -14.3850 -14.3631 -14.3631 -0.0175 -0.0175 0.3333 0.3333 4.6215 4.6215 7.2894 7.2894 7.6988 7.6988 9.3335 9.3335 9.5319 9.5319 9.7993 9.7993 9.9201 9.9201 10.2431 10.2431 10.9867 10.9867 12.2189 12.2189 13.1804 13.1804 13.2451 13.2451 13.5463 13.5463 13.9178 13.9178 k =-0.4700 0.2451-0.0000 ( 3792 PWs) bands (ev): -36.8717 -36.8717 -36.8631 -36.8631 -16.1669 -16.1669 -16.1361 -16.1361 -14.4636 -14.4636 -14.4133 -14.4133 -14.3857 -14.3857 -14.3631 -14.3631 -0.0043 -0.0043 0.3438 0.3438 4.6348 4.6348 7.2835 7.2835 7.5916 7.5916 9.3832 9.3832 9.5458 9.5458 9.8018 9.8018 9.9092 9.9092 10.1829 10.1829 11.0656 11.0656 12.2662 12.2662 13.1171 13.1171 13.1850 13.1850 13.4518 13.4518 13.8955 13.8955 k =-0.4640 0.2688-0.0000 ( 3796 PWs) bands (ev): -36.8716 -36.8716 -36.8630 -36.8630 -16.1673 -16.1673 -16.1367 -16.1367 -14.4640 -14.4640 -14.4147 -14.4147 -14.3864 -14.3864 -14.3630 -14.3630 0.0119 0.0119 0.3566 0.3566 4.6510 4.6510 7.2746 7.2746 7.4741 7.4741 9.4280 9.4280 9.5621 9.5621 9.8041 9.8041 9.8960 9.8960 10.1308 10.1308 11.1469 11.1469 12.3228 12.3228 13.0550 13.0550 13.1177 13.1177 13.3541 13.3541 13.7939 13.7939 k =-0.4580 0.2925-0.0000 ( 3800 PWs) bands (ev): -36.8715 -36.8715 -36.8629 -36.8629 -16.1678 -16.1678 -16.1373 -16.1373 -14.4644 -14.4644 -14.4162 -14.4162 -14.3873 -14.3873 -14.3629 -14.3629 0.0310 0.0310 0.3716 0.3716 4.6700 4.6700 7.2559 7.2559 7.3560 7.3560 9.4631 9.4631 9.5788 9.5788 9.8057 9.8057 9.8807 9.8807 10.0923 10.0923 11.2297 11.2297 12.3880 12.3880 12.9947 12.9947 13.0457 13.0457 13.2554 13.2554 13.6842 13.6842 k =-0.4520 0.3162-0.0000 ( 3794 PWs) bands (ev): -36.8713 -36.8713 -36.8628 -36.8628 -16.1683 -16.1683 -16.1380 -16.1380 -14.4650 -14.4650 -14.4180 -14.4180 -14.3882 -14.3882 -14.3627 -14.3627 0.0529 0.0529 0.3887 0.3887 4.6919 4.6919 7.1809 7.1809 7.2856 7.2856 9.4848 9.4848 9.5936 9.5936 9.8060 9.8060 9.8635 9.8635 10.0727 10.0727 11.3138 11.3138 12.4611 12.4611 12.9353 12.9353 12.9720 12.9720 13.1571 13.1571 13.5722 13.5722 k =-0.4460 0.3399-0.0000 ( 3790 PWs) bands (ev): -36.8712 -36.8712 -36.8626 -36.8626 -16.1689 -16.1689 -16.1387 -16.1387 -14.4656 -14.4656 -14.4200 -14.4200 -14.3892 -14.3892 -14.3625 -14.3625 0.0778 0.0778 0.4080 0.4080 4.7165 4.7165 7.0497 7.0497 7.2644 7.2644 9.4889 9.4889 9.6075 9.6075 9.8040 9.8040 9.8452 9.8452 10.0745 10.0745 11.3988 11.3988 12.5411 12.5411 12.8714 12.8714 12.9041 12.9041 13.0599 13.0599 13.4602 13.4602 k =-0.4400 0.3636-0.0000 ( 3790 PWs) bands (ev): -36.8710 -36.8710 -36.8625 -36.8625 -16.1696 -16.1696 -16.1396 -16.1396 -14.4664 -14.4664 -14.4222 -14.4222 -14.3903 -14.3903 -14.3623 -14.3623 0.1056 0.1056 0.4293 0.4293 4.7439 4.7439 6.9066 6.9066 7.2491 7.2491 9.4733 9.4733 9.6246 9.6246 9.7972 9.7972 9.8275 9.8275 10.0957 10.0957 11.4848 11.4848 12.6264 12.6264 12.7974 12.7974 12.8493 12.8493 12.9649 12.9649 13.3497 13.3497 k =-0.4340 0.3873-0.0000 ( 3788 PWs) bands (ev): -36.8708 -36.8708 -36.8623 -36.8623 -16.1704 -16.1704 -16.1405 -16.1405 -14.4672 -14.4672 -14.4246 -14.4246 -14.3913 -14.3913 -14.3620 -14.3620 0.1363 0.1363 0.4525 0.4525 4.7741 4.7741 6.7586 6.7586 7.2335 7.2335 9.4418 9.4418 9.6464 9.6464 9.7825 9.7825 9.8135 9.8135 10.1310 10.1310 11.5716 11.5716 12.7080 12.7080 12.7217 12.7217 12.8067 12.8067 12.8744 12.8744 13.2422 13.2422 k =-0.4280 0.4110-0.0000 ( 3796 PWs) bands (ev): -36.8707 -36.8707 -36.8621 -36.8621 -16.1712 -16.1712 -16.1415 -16.1415 -14.4682 -14.4682 -14.4272 -14.4272 -14.3924 -14.3924 -14.3617 -14.3617 0.1699 0.1699 0.4776 0.4776 4.8068 4.8068 6.6076 6.6076 7.2163 7.2163 9.4009 9.4009 9.6713 9.6713 9.7606 9.7606 9.8021 9.8021 10.1752 10.1752 11.6593 11.6593 12.6385 12.6385 12.7345 12.7345 12.7804 12.7804 12.8418 12.8418 13.1391 13.1391 k =-0.4220 0.4348-0.0000 ( 3796 PWs) bands (ev): -36.8705 -36.8705 -36.8619 -36.8619 -16.1720 -16.1720 -16.1426 -16.1426 -14.4694 -14.4694 -14.4299 -14.4299 -14.3935 -14.3935 -14.3613 -14.3613 0.2063 0.2063 0.5044 0.5044 4.8421 4.8421 6.4546 6.4546 7.1971 7.1971 9.3559 9.3559 9.6965 9.6965 9.7359 9.7359 9.7903 9.7903 10.2243 10.2243 11.7478 11.7478 12.5598 12.5598 12.6748 12.6748 12.7242 12.7242 12.9310 12.9310 13.0432 13.0432 k =-0.4160 0.4585-0.0000 ( 3790 PWs) bands (ev): -36.8702 -36.8702 -36.8617 -36.8617 -16.1729 -16.1729 -16.1437 -16.1437 -14.4706 -14.4706 -14.4329 -14.4329 -14.3945 -14.3945 -14.3609 -14.3609 0.2456 0.2456 0.5329 0.5329 4.8799 4.8799 6.3002 6.3002 7.1757 7.1757 9.3102 9.3102 9.6993 9.6993 9.7274 9.7274 9.7805 9.7805 10.2760 10.2760 11.8368 11.8368 12.4825 12.4825 12.5946 12.5946 12.6862 12.6862 12.9451 12.9451 13.0422 13.0422 k =-0.4100 0.4822-0.0000 ( 3790 PWs) bands (ev): -36.8700 -36.8700 -36.8614 -36.8614 -16.1739 -16.1739 -16.1449 -16.1449 -14.4720 -14.4720 -14.4359 -14.4359 -14.3955 -14.3955 -14.3604 -14.3604 0.2877 0.2877 0.5630 0.5630 4.9201 4.9201 6.1448 6.1448 7.1519 7.1519 9.2657 9.2657 9.6712 9.6712 9.7266 9.7266 9.7890 9.7890 10.3289 10.3289 11.9261 11.9261 12.4071 12.4071 12.5136 12.5136 12.6541 12.6541 12.8650 12.8650 13.1484 13.1484 k =-0.4040 0.5059-0.0000 ( 3796 PWs) bands (ev): -36.8698 -36.8698 -36.8612 -36.8612 -16.1749 -16.1749 -16.1461 -16.1461 -14.4736 -14.4736 -14.4391 -14.4391 -14.3964 -14.3964 -14.3599 -14.3599 0.3327 0.3327 0.5945 0.5945 4.9627 4.9627 5.9889 5.9889 7.1257 7.1257 9.2240 9.2240 9.6391 9.6391 9.7040 9.7040 9.8178 9.8178 10.3822 10.3822 12.0143 12.0143 12.3347 12.3347 12.4350 12.4350 12.6257 12.6257 12.7928 12.7928 13.2594 13.2594 k =-0.3980 0.5296-0.0000 ( 3792 PWs) bands (ev): -36.8696 -36.8696 -36.8610 -36.8610 -16.1759 -16.1759 -16.1474 -16.1474 -14.4753 -14.4753 -14.4424 -14.4424 -14.3973 -14.3973 -14.3594 -14.3594 0.3805 0.3805 0.6272 0.6272 5.0074 5.0074 5.8328 5.8328 7.0972 7.0972 9.1858 9.1858 9.6048 9.6048 9.6705 9.6705 9.8535 9.8535 10.4354 10.4354 12.0961 12.0961 12.2698 12.2698 12.3602 12.3602 12.6002 12.6002 12.7317 12.7317 13.3725 13.3725 k =-0.3920 0.5533-0.0000 ( 3792 PWs) bands (ev): -36.8693 -36.8693 -36.8607 -36.8607 -16.1770 -16.1770 -16.1487 -16.1487 -14.4771 -14.4771 -14.4458 -14.4458 -14.3981 -14.3981 -14.3588 -14.3588 0.4310 0.4310 0.6611 0.6611 5.0541 5.0541 5.6767 5.6767 7.0665 7.0665 9.1516 9.1516 9.5683 9.5683 9.6300 9.6300 9.8922 9.8922 10.4883 10.4883 12.1328 12.1328 12.2451 12.2451 12.2948 12.2948 12.5774 12.5774 12.6832 12.6832 13.4866 13.4866 k =-0.3860 0.5770-0.0000 ( 3798 PWs) bands (ev): -36.8691 -36.8691 -36.8605 -36.8605 -16.1780 -16.1780 -16.1500 -16.1500 -14.4790 -14.4790 -14.4492 -14.4492 -14.3988 -14.3988 -14.3582 -14.3582 0.4844 0.4844 0.6961 0.6961 5.1028 5.1028 5.5211 5.5211 7.0337 7.0337 9.1218 9.1218 9.5283 9.5283 9.5846 9.5846 9.9330 9.9330 10.5408 10.5408 12.0852 12.0852 12.2116 12.2116 12.3269 12.3269 12.5570 12.5570 12.6480 12.6480 13.6006 13.6006 k =-0.3800 0.6007-0.0000 ( 3798 PWs) bands (ev): -36.8688 -36.8688 -36.8602 -36.8602 -16.1791 -16.1791 -16.1514 -16.1514 -14.4811 -14.4811 -14.4526 -14.4526 -14.3993 -14.3993 -14.3576 -14.3576 0.5405 0.5405 0.7318 0.7318 5.1532 5.1532 5.3661 5.3661 6.9991 6.9991 9.0965 9.0965 9.4818 9.4818 9.5383 9.5383 9.9754 9.9754 10.5930 10.5930 12.0168 12.0168 12.1491 12.1491 12.4125 12.4125 12.5397 12.5397 12.6264 12.6264 13.7132 13.7132 k =-0.3740 0.6244-0.0000 ( 3794 PWs) bands (ev): -36.8686 -36.8686 -36.8600 -36.8600 -16.1803 -16.1803 -16.1527 -16.1527 -14.4832 -14.4832 -14.4561 -14.4561 -14.3998 -14.3998 -14.3569 -14.3569 0.5994 0.5994 0.7682 0.7682 5.2000 5.2000 5.2170 5.2170 6.9631 6.9631 9.0757 9.0757 9.4252 9.4252 9.4950 9.4950 10.0190 10.0190 10.6447 10.6447 11.9446 11.9446 12.0893 12.0893 12.4910 12.4910 12.5366 12.5366 12.6183 12.6183 13.8225 13.8225 k =-0.3680 0.6482-0.0000 ( 3790 PWs) bands (ev): -36.8683 -36.8683 -36.8597 -36.8597 -16.1814 -16.1814 -16.1541 -16.1541 -14.4854 -14.4854 -14.4595 -14.4595 -14.4003 -14.4003 -14.3563 -14.3563 0.6610 0.6610 0.8052 0.8052 5.0576 5.0576 5.2594 5.2594 6.9260 6.9260 9.0593 9.0593 9.3588 9.3588 9.4557 9.4557 10.0635 10.0635 10.6961 10.6961 11.8714 11.8714 12.0341 12.0341 12.4959 12.4959 12.6008 12.6008 12.6318 12.6318 13.9253 13.9253 k =-0.3620 0.6719-0.0000 ( 3788 PWs) bands (ev): -36.8680 -36.8680 -36.8595 -36.8595 -16.1825 -16.1825 -16.1554 -16.1554 -14.4877 -14.4877 -14.4630 -14.4630 -14.4006 -14.4006 -14.3556 -14.3556 0.7253 0.7253 0.8424 0.8424 4.9054 4.9054 5.3139 5.3139 6.8882 6.8882 9.0472 9.0472 9.2848 9.2848 9.4190 9.4190 10.1087 10.1087 10.7472 10.7472 11.7981 11.7981 11.9840 11.9840 12.4812 12.4812 12.6297 12.6297 12.7131 12.7131 14.0153 14.0153 k =-0.3560 0.6956-0.0000 ( 3788 PWs) bands (ev): -36.8677 -36.8677 -36.8592 -36.8592 -16.1836 -16.1836 -16.1568 -16.1568 -14.4900 -14.4900 -14.4664 -14.4664 -14.4009 -14.4009 -14.3549 -14.3549 0.7923 0.7923 0.8799 0.8799 4.7543 4.7543 5.3694 5.3694 6.8502 6.8502 9.0391 9.0391 9.2053 9.2053 9.3841 9.3841 10.1543 10.1543 10.7980 10.7980 11.7252 11.7252 11.9395 11.9395 12.4643 12.4643 12.6552 12.6552 12.8104 12.8104 14.0809 14.0809 k =-0.3500 0.7193-0.0000 ( 3800 PWs) bands (ev): -36.8676 -36.8676 -36.8590 -36.8590 -16.1847 -16.1847 -16.1581 -16.1581 -14.4923 -14.4923 -14.4697 -14.4697 -14.4011 -14.4011 -14.3543 -14.3543 0.8617 0.8617 0.9174 0.9174 4.6046 4.6046 5.4254 5.4254 6.8124 6.8124 9.0346 9.0346 9.1220 9.1220 9.3506 9.3506 10.1997 10.1997 10.8485 10.8485 11.6531 11.6531 11.9010 11.9010 12.4458 12.4458 12.6887 12.6887 12.9097 12.9097 14.1060 14.1060 k =-0.3440 0.7430-0.0000 ( 3792 PWs) bands (ev): -36.8673 -36.8673 -36.8587 -36.8587 -16.1858 -16.1858 -16.1594 -16.1594 -14.4946 -14.4946 -14.4729 -14.4729 -14.4012 -14.4012 -14.3536 -14.3536 0.9323 0.9323 0.9561 0.9561 4.4565 4.4565 5.4817 5.4817 6.7753 6.7753 9.0286 9.0286 9.0412 9.0412 9.3184 9.3184 10.2448 10.2448 10.8987 10.8987 11.5823 11.5823 11.8688 11.8688 12.4253 12.4253 12.7296 12.7296 13.0097 13.0097 14.0846 14.0846 k =-0.3380 0.7667-0.0000 ( 3792 PWs) bands (ev): -36.8671 -36.8671 -36.8585 -36.8585 -16.1869 -16.1869 -16.1607 -16.1607 -14.4969 -14.4969 -14.4760 -14.4760 -14.4013 -14.4013 -14.3529 -14.3529 0.9865 0.9865 1.0133 1.0133 4.3100 4.3100 5.5377 5.5377 6.7393 6.7393 8.9475 8.9475 9.0371 9.0371 9.2876 9.2876 10.2891 10.2891 10.9486 10.9486 11.5128 11.5128 11.8432 11.8432 12.4021 12.4021 12.7769 12.7769 13.1093 13.1093 14.0303 14.0303 k =-0.3320 0.7904-0.0000 ( 3800 PWs) bands (ev): -36.8668 -36.8668 -36.8583 -36.8583 -16.1879 -16.1879 -16.1619 -16.1619 -14.4991 -14.4991 -14.4790 -14.4790 -14.4014 -14.4014 -14.3522 -14.3522 1.0235 1.0235 1.0894 1.0894 4.1652 4.1652 5.5929 5.5929 6.7049 6.7049 8.8600 8.8600 9.0421 9.0421 9.2584 9.2584 10.3322 10.3322 10.9980 10.9980 11.4448 11.4448 11.8247 11.8247 12.3757 12.3757 12.8291 12.8291 13.2075 13.2075 13.9600 13.9600 k =-0.3260 0.8141-0.0000 ( 3800 PWs) bands (ev): -36.8666 -36.8666 -36.8581 -36.8581 -16.1889 -16.1889 -16.1631 -16.1631 -14.5013 -14.5013 -14.4818 -14.4818 -14.4014 -14.4014 -14.3516 -14.3516 1.0582 1.0582 1.1695 1.1695 4.0224 4.0224 5.6469 5.6469 6.6725 6.6725 8.7734 8.7734 9.0498 9.0498 9.2309 9.2309 10.3737 10.3737 11.0470 11.0470 11.3785 11.3785 11.8136 11.8136 12.3453 12.3453 12.8851 12.8851 13.3019 13.3019 13.8854 13.8854 k =-0.3200 0.8378-0.0000 ( 3800 PWs) bands (ev): -36.8664 -36.8664 -36.8579 -36.8579 -16.1898 -16.1898 -16.1642 -16.1642 -14.5034 -14.5034 -14.4845 -14.4845 -14.4014 -14.4014 -14.3510 -14.3510 1.0914 1.0914 1.2524 1.2524 3.8816 3.8816 5.6988 5.6988 6.6426 6.6426 8.6891 8.6891 9.0597 9.0597 9.2054 9.2054 10.4132 10.4132 11.0952 11.0952 11.3140 11.3140 11.8102 11.8102 12.3106 12.3106 12.9436 12.9436 13.3878 13.3878 13.8161 13.8161 k =-0.3140 0.8616-0.0000 ( 3802 PWs) bands (ev): -36.8662 -36.8662 -36.8578 -36.8578 -16.1907 -16.1907 -16.1652 -16.1652 -14.5054 -14.5054 -14.4870 -14.4870 -14.4013 -14.4013 -14.3504 -14.3504 1.1229 1.1229 1.3380 1.3380 3.7430 3.7430 5.7479 5.7479 6.6156 6.6156 8.6082 8.6082 9.0710 9.0710 9.1824 9.1824 10.4504 10.4504 11.1421 11.1421 11.2516 11.2516 11.8147 11.8147 12.2711 12.2711 13.0031 13.0031 13.4518 13.4518 13.7677 13.7677 k =-0.3080 0.8853-0.0000 ( 3808 PWs) bands (ev): -36.8661 -36.8661 -36.8576 -36.8576 -16.1916 -16.1916 -16.1662 -16.1662 -14.5072 -14.5072 -14.4894 -14.4894 -14.4013 -14.4013 -14.3498 -14.3498 1.1525 1.1525 1.4263 1.4263 3.6068 3.6068 5.7932 5.7932 6.5918 6.5918 8.5322 8.5322 9.0826 9.0826 9.1629 9.1629 10.4853 10.4853 11.1778 11.1778 11.2010 11.2010 11.8271 11.8271 12.2265 12.2265 13.0622 13.0622 13.4691 13.4691 13.7664 13.7664 k =-0.3020 0.9090-0.0000 ( 3808 PWs) bands (ev): -36.8659 -36.8659 -36.8574 -36.8574 -16.1924 -16.1924 -16.1671 -16.1671 -14.5090 -14.5090 -14.4915 -14.4915 -14.4013 -14.4013 -14.3493 -14.3493 1.1799 1.1799 1.5171 1.5171 3.4729 3.4729 5.8339 5.8339 6.5716 6.5716 8.4623 8.4623 9.0914 9.0914 9.1499 9.1499 10.5176 10.5176 11.1282 11.1282 11.2359 11.2359 11.8474 11.8474 12.1766 12.1766 13.1195 13.1195 13.4357 13.4357 13.8169 13.8169 k =-0.2960 0.9327-0.0000 ( 3810 PWs) bands (ev): -36.8658 -36.8658 -36.8573 -36.8573 -16.1931 -16.1931 -16.1679 -16.1679 -14.5106 -14.5106 -14.4934 -14.4934 -14.4012 -14.4012 -14.3487 -14.3487 1.2049 1.2049 1.6104 1.6104 3.3417 3.3417 5.8688 5.8688 6.5554 6.5554 8.4000 8.4000 9.0918 9.0918 9.1491 9.1491 10.5475 10.5475 11.0709 11.0709 11.2782 11.2782 11.8755 11.8755 12.1214 12.1214 13.1734 13.1734 13.3790 13.3790 13.8924 13.8924 k =-0.2900 0.9564-0.0000 ( 3816 PWs) bands (ev): -36.8657 -36.8657 -36.8572 -36.8572 -16.1938 -16.1938 -16.1686 -16.1686 -14.5120 -14.5120 -14.4951 -14.4951 -14.4012 -14.4012 -14.3483 -14.3483 1.2271 1.2271 1.7063 1.7063 3.2133 3.2133 5.8968 5.8968 6.5433 6.5433 8.3467 8.3467 9.0834 9.0834 9.1604 9.1604 10.5752 10.5752 11.0149 11.0149 11.3183 11.3183 11.9109 11.9109 12.0613 12.0613 13.2223 13.2223 13.3167 13.3167 13.9753 13.9753 k =-0.2840 0.9801-0.0000 ( 3820 PWs) bands (ev): -36.8656 -36.8656 -36.8571 -36.8571 -16.1944 -16.1944 -16.1692 -16.1692 -14.5133 -14.5133 -14.4965 -14.4965 -14.4012 -14.4012 -14.3478 -14.3478 1.2463 1.2463 1.8047 1.8047 3.0879 3.0879 5.9168 5.9168 6.5357 6.5357 8.3036 8.3036 9.0723 9.0723 9.1778 9.1778 10.6009 10.6009 10.9604 10.9604 11.3552 11.3552 11.9525 11.9525 11.9971 11.9971 13.2556 13.2556 13.2651 13.2651 14.0586 14.0586 k =-0.2780 1.0038-0.0000 ( 3826 PWs) bands (ev): -36.8655 -36.8655 -36.8570 -36.8570 -16.1949 -16.1949 -16.1696 -16.1696 -14.5144 -14.5144 -14.4977 -14.4977 -14.4012 -14.4012 -14.3474 -14.3474 1.2620 1.2620 1.9056 1.9056 2.9658 2.9658 5.9279 5.9279 6.5328 6.5328 8.2719 8.2719 9.0616 9.0616 9.1982 9.1982 10.6250 10.6250 10.9074 10.9074 11.3879 11.3879 11.9259 11.9259 12.0031 12.0031 13.2003 13.2003 13.2992 13.2992 14.1389 14.1389 k =-0.2720 1.0275-0.0000 ( 3820 PWs) bands (ev): -36.8654 -36.8654 -36.8569 -36.8569 -16.1953 -16.1953 -16.1700 -16.1700 -14.5154 -14.5154 -14.4987 -14.4987 -14.4012 -14.4012 -14.3471 -14.3471 1.2741 1.2741 2.0090 2.0090 2.8471 2.8471 5.9293 5.9293 6.5348 6.5348 8.2525 8.2525 9.0524 9.0524 9.2204 9.2204 10.6480 10.6480 10.8561 10.8561 11.4156 11.4156 11.8531 11.8531 12.0572 12.0572 13.1521 13.1521 13.3245 13.3245 14.2140 14.2140 k =-0.2660 1.0512-0.0000 ( 3808 PWs) bands (ev): -36.8653 -36.8653 -36.8568 -36.8568 -16.1957 -16.1957 -16.1703 -16.1703 -14.5161 -14.5161 -14.4994 -14.4994 -14.4013 -14.4013 -14.3468 -14.3468 1.2820 1.2820 2.1147 2.1147 2.7323 2.7323 5.9206 5.9206 6.5419 6.5419 8.2458 8.2458 9.0451 9.0451 9.2437 9.2437 10.6700 10.6700 10.8065 10.8065 11.4372 11.4372 11.7766 11.7766 12.1166 12.1166 13.1127 13.1127 13.3395 13.3395 14.2799 14.2799 k =-0.2660 1.0512-0.0000 ( 3808 PWs) bands (ev): -36.8653 -36.8653 -36.8568 -36.8568 -16.1957 -16.1957 -16.1703 -16.1703 -14.5161 -14.5161 -14.4994 -14.4994 -14.4013 -14.4013 -14.3468 -14.3468 1.2820 1.2820 2.1147 2.1147 2.7323 2.7323 5.9206 5.9206 6.5419 6.5419 8.2458 8.2458 9.0451 9.0451 9.2437 9.2437 10.6700 10.6700 10.8065 10.8065 11.4372 11.4372 11.7766 11.7766 12.1166 12.1166 13.1127 13.1127 13.3395 13.3395 14.2799 14.2799 k =-0.2660 1.0512 0.0244 ( 3814 PWs) bands (ev): -36.8653 -36.8653 -36.8568 -36.8568 -16.1957 -16.1957 -16.1703 -16.1703 -14.5161 -14.5161 -14.4994 -14.4994 -14.4014 -14.4014 -14.3469 -14.3469 1.2830 1.2830 2.1160 2.1160 2.7336 2.7336 5.9177 5.9177 6.5437 6.5437 8.2476 8.2476 9.0438 9.0438 9.2411 9.2411 10.6605 10.6605 10.8047 10.8047 11.4310 11.4310 11.7653 11.7653 12.1249 12.1249 13.1182 13.1182 13.3413 13.3413 14.2492 14.2492 k =-0.2660 1.0512 0.0489 ( 3815 PWs) bands (ev): -36.8653 -36.8653 -36.8568 -36.8568 -16.1958 -16.1958 -16.1705 -16.1705 -14.5160 -14.5160 -14.4994 -14.4994 -14.4017 -14.4017 -14.3472 -14.3472 1.2859 1.2859 2.1197 2.1197 2.7376 2.7376 5.9089 5.9089 6.5493 6.5493 8.2530 8.2530 9.0402 9.0402 9.2331 9.2331 10.6330 10.6330 10.7992 10.7992 11.4129 11.4129 11.7318 11.7318 12.1489 12.1489 13.1344 13.1344 13.3466 13.3466 14.1766 14.1766 k =-0.2660 1.0512 0.0733 ( 3803 PWs) bands (ev): -36.8652 -36.8652 -36.8567 -36.8567 -16.1959 -16.1959 -16.1707 -16.1707 -14.5158 -14.5158 -14.4995 -14.4995 -14.4023 -14.4023 -14.3479 -14.3479 1.2909 1.2909 2.1260 2.1260 2.7443 2.7443 5.8943 5.8943 6.5585 6.5585 8.2619 8.2619 9.0341 9.0341 9.2198 9.2198 10.5894 10.5894 10.7900 10.7900 11.3838 11.3838 11.6776 11.6776 12.1862 12.1862 13.1605 13.1605 13.3550 13.3550 14.1059 14.1059 k =-0.2660 1.0512 0.0978 ( 3801 PWs) bands (ev): -36.8651 -36.8651 -36.8566 -36.8566 -16.1960 -16.1960 -16.1709 -16.1709 -14.5156 -14.5156 -14.4995 -14.4995 -14.4030 -14.4030 -14.3487 -14.3487 1.2978 1.2978 2.1347 2.1347 2.7536 2.7536 5.8740 5.8740 6.5714 6.5714 8.2743 8.2743 9.0259 9.0259 9.2007 9.2007 10.5329 10.5329 10.7770 10.7770 11.3450 11.3450 11.6047 11.6047 12.2337 12.2337 13.1957 13.1957 13.3662 13.3662 14.0429 14.0429 k =-0.2660 1.0512 0.1222 ( 3797 PWs) bands (ev): -36.8650 -36.8650 -36.8566 -36.8566 -16.1962 -16.1962 -16.1713 -16.1713 -14.5153 -14.5153 -14.4995 -14.4995 -14.4040 -14.4040 -14.3498 -14.3498 1.3068 1.3068 2.1460 2.1460 2.7655 2.7655 5.8481 5.8481 6.5880 6.5880 8.2901 8.2901 9.0155 9.0155 9.1755 9.1755 10.4668 10.4668 10.7600 10.7600 11.2981 11.2981 11.5156 11.5156 12.2885 12.2885 13.2388 13.2388 13.3794 13.3794 13.9894 13.9894 k =-0.2660 1.0512 0.1467 ( 3793 PWs) bands (ev): -36.8648 -36.8648 -36.8565 -36.8565 -16.1964 -16.1964 -16.1717 -16.1717 -14.5150 -14.5150 -14.4995 -14.4995 -14.4051 -14.4051 -14.3511 -14.3511 1.3177 1.3177 2.1597 2.1597 2.7800 2.7800 5.8167 5.8167 6.6081 6.6081 8.3092 8.3092 9.0031 9.0031 9.1441 9.1441 10.3942 10.3942 10.7384 10.7384 11.2444 11.2444 11.4132 11.4132 12.3481 12.3481 13.2883 13.2883 13.3944 13.3944 13.9459 13.9459 k =-0.2660 1.0512 0.1711 ( 3795 PWs) bands (ev): -36.8646 -36.8646 -36.8564 -36.8564 -16.1967 -16.1967 -16.1722 -16.1722 -14.5147 -14.5147 -14.4996 -14.4996 -14.4065 -14.4065 -14.3526 -14.3526 1.3305 1.3305 2.1758 2.1758 2.7971 2.7971 5.7800 5.7800 6.6318 6.6318 8.3315 8.3315 8.9887 8.9887 9.1060 9.1060 10.3181 10.3181 10.7113 10.7113 11.1852 11.1852 11.3007 11.3007 12.4103 12.4103 13.3426 13.3426 13.4109 13.4109 13.9125 13.9125 k =-0.2660 1.0512 0.1956 ( 3795 PWs) bands (ev): -36.8644 -36.8644 -36.8563 -36.8563 -16.1970 -16.1970 -16.1728 -16.1728 -14.5143 -14.5143 -14.4997 -14.4997 -14.4080 -14.4080 -14.3543 -14.3543 1.3454 1.3454 2.1945 2.1945 2.8168 2.8168 5.7381 5.7381 6.6589 6.6589 8.3568 8.3568 8.9717 8.9717 9.0617 9.0617 10.2408 10.2408 10.6774 10.6774 11.1218 11.1218 11.1821 11.1821 12.4737 12.4737 13.3960 13.3960 13.4329 13.4329 13.8889 13.8889 k =-0.2660 1.0512 0.2200 ( 3794 PWs) bands (ev): -36.8642 -36.8642 -36.8562 -36.8562 -16.1974 -16.1974 -16.1734 -16.1734 -14.5138 -14.5138 -14.4997 -14.4997 -14.4097 -14.4097 -14.3562 -14.3562 1.3622 1.3622 2.2155 2.2155 2.8390 2.8390 5.6914 5.6914 6.6895 6.6895 8.3848 8.3848 8.9493 8.9493 9.0140 9.0140 10.1645 10.1645 10.6340 10.6340 11.0527 11.0527 11.0644 11.0644 12.5372 12.5372 13.4278 13.4278 13.4797 13.4797 13.8743 13.8743 k =-0.2660 1.0512 0.2445 ( 3794 PWs) bands (ev): -36.8640 -36.8640 -36.8561 -36.8561 -16.1978 -16.1978 -16.1741 -16.1741 -14.5133 -14.5133 -14.4998 -14.4998 -14.4115 -14.4115 -14.3583 -14.3583 1.3810 1.3810 2.2389 2.2389 2.8637 2.8637 5.6400 5.6400 6.7234 6.7234 8.4153 8.4153 8.9112 8.9112 8.9730 8.9730 10.0907 10.0907 10.5767 10.5767 10.9448 10.9448 10.9883 10.9883 12.6002 12.6002 13.4446 13.4446 13.5439 13.5439 13.8679 13.8679 k =-0.2660 1.0512 0.2689 ( 3796 PWs) bands (ev): -36.8638 -36.8638 -36.8560 -36.8560 -16.1982 -16.1982 -16.1749 -16.1749 -14.5129 -14.5129 -14.5000 -14.5000 -14.4134 -14.4134 -14.3605 -14.3605 1.4017 1.4017 2.2647 2.2647 2.8909 2.8909 5.5842 5.5842 6.7606 6.7606 8.4478 8.4478 8.8500 8.8500 8.9468 8.9468 10.0205 10.0205 10.4995 10.4995 10.8419 10.8419 10.9183 10.9183 12.6622 12.6622 13.4583 13.4583 13.6129 13.6129 13.8686 13.8686 k =-0.2660 1.0512 0.2934 ( 3790 PWs) bands (ev): -36.8635 -36.8635 -36.8558 -36.8558 -16.1986 -16.1986 -16.1757 -16.1757 -14.5124 -14.5124 -14.5001 -14.5001 -14.4154 -14.4154 -14.3629 -14.3629 1.4244 1.4244 2.2928 2.2928 2.9205 2.9205 5.5244 5.5244 6.8009 6.8009 8.4818 8.4818 8.7739 8.7739 8.9278 8.9278 9.9545 9.9545 10.3988 10.3988 10.7566 10.7566 10.8482 10.8482 12.7231 12.7231 13.4712 13.4712 13.6841 13.6841 13.8750 13.8750 k =-0.2660 1.0512 0.3178 ( 3787 PWs) bands (ev): -36.8632 -36.8632 -36.8557 -36.8557 -16.1991 -16.1991 -16.1766 -16.1766 -14.5119 -14.5119 -14.5003 -14.5003 -14.4175 -14.4175 -14.3654 -14.3654 1.4490 1.4490 2.3232 2.3232 2.9524 2.9524 5.4607 5.4607 6.8442 6.8442 8.5163 8.5163 8.6883 8.6883 8.9119 8.9119 9.8928 9.8928 10.2775 10.2775 10.6875 10.6875 10.7783 10.7783 12.7830 12.7830 13.4843 13.4843 13.7565 13.7565 13.8857 13.8857 k =-0.2660 1.0512 0.3423 ( 3787 PWs) bands (ev): -36.8629 -36.8629 -36.8555 -36.8555 -16.1996 -16.1996 -16.1776 -16.1776 -14.5114 -14.5114 -14.5005 -14.5005 -14.4197 -14.4197 -14.3680 -14.3680 1.4755 1.4755 2.3558 2.3558 2.9866 2.9866 5.3935 5.3935 6.8904 6.8904 8.5478 8.5478 8.5979 8.5979 8.8985 8.8985 9.8352 9.8352 10.1428 10.1428 10.6290 10.6290 10.7092 10.7092 12.8421 12.8421 13.4983 13.4983 13.8292 13.8292 13.8996 13.8996 k =-0.2660 1.0512 0.3667 ( 3783 PWs) bands (ev): -36.8626 -36.8626 -36.8553 -36.8553 -16.2001 -16.2001 -16.1786 -16.1786 -14.5110 -14.5110 -14.5007 -14.5007 -14.4219 -14.4219 -14.3707 -14.3707 1.5040 1.5040 2.3906 2.3906 3.0230 3.0230 5.3231 5.3231 6.9393 6.9393 8.4918 8.4918 8.5871 8.5871 8.8883 8.8883 9.7809 9.7809 10.0012 10.0012 10.5762 10.5762 10.6415 10.6415 12.9005 12.9005 13.5137 13.5137 13.8993 13.8993 13.9178 13.9178 k =-0.2660 1.0512 0.3912 ( 3791 PWs) bands (ev): -36.8623 -36.8623 -36.8552 -36.8552 -16.2006 -16.2006 -16.1796 -16.1796 -14.5106 -14.5106 -14.5009 -14.5009 -14.4241 -14.4241 -14.3735 -14.3735 1.5343 1.5343 2.4276 2.4276 3.0616 3.0616 5.2498 5.2498 6.9906 6.9906 8.3886 8.3886 8.6145 8.6145 8.8824 8.8824 9.7280 9.7280 9.8588 9.8588 10.5261 10.5261 10.5760 10.5760 12.9586 12.9586 13.5310 13.5310 13.9290 13.9290 13.9767 13.9767 k =-0.2660 1.0512 0.4156 ( 3791 PWs) bands (ev): -36.8619 -36.8619 -36.8550 -36.8550 -16.2012 -16.2012 -16.1807 -16.1807 -14.5103 -14.5103 -14.5012 -14.5012 -14.4263 -14.4263 -14.3763 -14.3763 1.5666 1.5666 2.4667 2.4667 3.1022 3.1022 5.1740 5.1740 7.0441 7.0441 8.2810 8.2810 8.6355 8.6355 8.8826 8.8826 9.6650 9.6650 9.7295 9.7295 10.4767 10.4767 10.5133 10.5133 13.0166 13.0166 13.5505 13.5505 13.9460 13.9460 14.0472 14.0472 k =-0.2660 1.0512 0.4401 ( 3786 PWs) bands (ev): -36.8615 -36.8615 -36.8548 -36.8548 -16.2017 -16.2017 -16.1818 -16.1818 -14.5101 -14.5101 -14.5015 -14.5015 -14.4284 -14.4284 -14.3791 -14.3791 1.6008 1.6008 2.5077 2.5077 3.1447 3.1447 5.0960 5.0960 7.0993 7.0993 8.1711 8.1711 8.6464 8.6464 8.8898 8.8898 9.5528 9.5528 9.6556 9.6556 10.4267 10.4267 10.4549 10.4549 13.0748 13.0748 13.5723 13.5723 13.9623 13.9623 14.1163 14.1163 k =-0.2660 1.0512 0.4645 ( 3790 PWs) bands (ev): -36.8612 -36.8612 -36.8547 -36.8547 -16.2023 -16.2023 -16.1830 -16.1830 -14.5100 -14.5100 -14.5018 -14.5018 -14.4305 -14.4305 -14.3820 -14.3820 1.6368 1.6368 2.5507 2.5507 3.1890 3.1890 5.0161 5.0161 7.1556 7.1556 8.0604 8.0604 8.6448 8.6448 8.9022 8.9022 9.4242 9.4242 9.6081 9.6081 10.3748 10.3748 10.4017 10.4017 13.1335 13.1335 13.5963 13.5963 13.9782 13.9782 14.1829 14.1829 k =-0.2660 1.0512 0.4890 ( 3786 PWs) bands (ev): -36.8608 -36.8608 -36.8545 -36.8545 -16.2028 -16.2028 -16.1842 -16.1842 -14.5099 -14.5099 -14.5022 -14.5022 -14.4324 -14.4324 -14.3849 -14.3849 1.6747 1.6747 2.5955 2.5955 3.2350 3.2350 4.9345 4.9345 7.2120 7.2120 7.9508 7.9508 8.6297 8.6297 8.9133 8.9133 9.3081 9.3081 9.5655 9.5655 10.3222 10.3222 10.3531 10.3531 13.1930 13.1930 13.6225 13.6225 13.9937 13.9937 14.2461 14.2461 k =-0.2660 1.0512 0.5134 ( 3781 PWs) bands (ev): -36.8604 -36.8604 -36.8543 -36.8543 -16.2034 -16.2034 -16.1854 -16.1854 -14.5100 -14.5100 -14.5026 -14.5026 -14.4342 -14.4342 -14.3877 -14.3877 1.7145 1.7145 2.6420 2.6420 3.2825 3.2825 4.8517 4.8517 7.2663 7.2663 7.8448 7.8448 8.5987 8.5987 8.9114 8.9114 9.2209 9.2209 9.5250 9.5250 10.2709 10.2709 10.3074 10.3074 13.2534 13.2534 13.6505 13.6505 14.0093 14.0093 14.3055 14.3055 k =-0.2660 1.0512 0.5379 ( 3779 PWs) bands (ev): -36.8600 -36.8600 -36.8542 -36.8542 -16.2040 -16.2040 -16.1867 -16.1867 -14.5102 -14.5102 -14.5030 -14.5030 -14.4359 -14.4359 -14.3905 -14.3905 1.7561 1.7561 2.6900 2.6900 3.3314 3.3314 4.7680 4.7680 7.3135 7.3135 7.7482 7.7482 8.5477 8.5477 8.8859 8.8859 9.1778 9.1778 9.4858 9.4858 10.2222 10.2222 10.2640 10.2640 13.3149 13.3149 13.6798 13.6798 14.0256 14.0256 14.3603 14.3603 k =-0.2660 1.0512 0.5623 ( 3773 PWs) bands (ev): -36.8596 -36.8596 -36.8540 -36.8540 -16.2045 -16.2045 -16.1879 -16.1879 -14.5105 -14.5105 -14.5035 -14.5035 -14.4374 -14.4374 -14.3933 -14.3933 1.7995 1.7995 2.7395 2.7395 3.3813 3.3813 4.6836 4.6836 7.3414 7.3414 7.6735 7.6735 8.4724 8.4724 8.8457 8.8457 9.1740 9.1740 9.4476 9.4476 10.1766 10.1766 10.2226 10.2226 13.3775 13.3775 13.7097 13.7097 14.0435 14.0435 14.4103 14.4103 k =-0.2660 1.0512 0.5868 ( 3775 PWs) bands (ev): -36.8592 -36.8592 -36.8539 -36.8539 -16.2050 -16.2050 -16.1892 -16.1892 -14.5110 -14.5110 -14.5041 -14.5041 -14.4386 -14.4386 -14.3960 -14.3960 1.8447 1.8447 2.7901 2.7901 3.4321 3.4321 4.5988 4.5988 7.3279 7.3279 7.6433 7.6433 8.3743 8.3743 8.8081 8.8081 9.1902 9.1902 9.4103 9.4103 10.1345 10.1345 10.1835 10.1835 13.4413 13.4413 13.7394 13.7394 14.0640 14.0640 14.4557 14.4557 k =-0.2660 1.0512 0.6112 ( 3779 PWs) bands (ev): -36.8589 -36.8589 -36.8537 -36.8537 -16.2055 -16.2055 -16.1904 -16.1904 -14.5115 -14.5115 -14.5048 -14.5048 -14.4397 -14.4397 -14.3986 -14.3986 1.8917 1.8917 2.8417 2.8417 3.4835 3.4835 4.5141 4.5141 7.2682 7.2682 7.6629 7.6629 8.2599 8.2599 8.7791 8.7791 9.2131 9.2131 9.3741 9.3741 10.0960 10.0960 10.1471 10.1471 13.5063 13.5063 13.7681 13.7681 14.0885 14.0885 14.4968 14.4968 k =-0.2660 1.0512 0.6357 ( 3781 PWs) bands (ev): -36.8585 -36.8585 -36.8536 -36.8536 -16.2060 -16.2060 -16.1917 -16.1917 -14.5120 -14.5120 -14.5055 -14.5055 -14.4405 -14.4405 -14.4012 -14.4012 1.9405 1.9405 2.8940 2.8940 3.5351 3.5351 4.4299 4.4299 7.1842 7.1842 7.7106 7.7106 8.1363 8.1363 8.7574 8.7574 9.2359 9.2359 9.3395 9.3395 10.0612 10.0612 10.1140 10.1140 13.5725 13.5725 13.7950 13.7950 14.1182 14.1182 14.5342 14.5342 k =-0.2660 1.0512 0.6601 ( 3783 PWs) bands (ev): -36.8581 -36.8581 -36.8535 -36.8535 -16.2065 -16.2065 -16.1929 -16.1929 -14.5127 -14.5127 -14.5063 -14.5063 -14.4412 -14.4412 -14.4037 -14.4037 1.9910 1.9910 2.9465 2.9465 3.5866 3.5866 4.3465 4.3465 7.0920 7.0920 7.7707 7.7707 8.0084 8.0084 8.7408 8.7408 9.2525 9.2525 9.3092 9.3092 10.0302 10.0302 10.0845 10.0845 13.6396 13.6396 13.8196 13.8196 14.1538 14.1538 14.5685 14.5685 k =-0.2660 1.0512 0.6846 ( 3779 PWs) bands (ev): -36.8577 -36.8577 -36.8534 -36.8534 -16.2069 -16.2069 -16.1942 -16.1942 -14.5134 -14.5134 -14.5072 -14.5072 -14.4416 -14.4416 -14.4061 -14.4061 2.0432 2.0432 2.9987 2.9987 3.6375 3.6375 4.2645 4.2645 6.9989 6.9989 7.8355 7.8355 7.8799 7.8799 8.7279 8.7279 9.2491 9.2491 9.2954 9.2954 10.0029 10.0029 10.0590 10.0590 13.7075 13.7075 13.8423 13.8423 14.1960 14.1960 14.6001 14.6001 k =-0.2660 1.0512 0.7090 ( 3785 PWs) bands (ev): -36.8574 -36.8574 -36.8534 -36.8534 -16.2073 -16.2073 -16.1954 -16.1954 -14.5141 -14.5141 -14.5082 -14.5082 -14.4418 -14.4418 -14.4084 -14.4084 2.0971 2.0971 3.0499 3.0499 3.6872 3.6872 4.1846 4.1846 6.9080 6.9080 7.7495 7.7495 7.9056 7.9056 8.7176 8.7176 9.2236 9.2236 9.2987 9.2987 9.9792 9.9792 10.0378 10.0378 13.7755 13.7755 13.8636 13.8636 14.2445 14.2445 14.6296 14.6296 k =-0.2660 1.0512 0.7335 ( 3784 PWs) bands (ev): -36.8570 -36.8570 -36.8533 -36.8533 -16.2076 -16.2076 -16.1966 -16.1966 -14.5148 -14.5148 -14.5092 -14.5092 -14.4418 -14.4418 -14.4107 -14.4107 2.1526 2.1526 3.0992 3.0992 3.7353 3.7353 4.1076 4.1076 6.8214 6.8214 7.6225 7.6225 7.9752 7.9752 8.7094 8.7094 9.1935 9.1935 9.3012 9.3012 9.9592 9.9592 10.0208 10.0208 13.8423 13.8423 13.8855 13.8855 14.2989 14.2989 14.6573 14.6573 k =-0.2660 1.0512 0.7579 ( 3788 PWs) bands (ev): -36.8567 -36.8567 -36.8532 -36.8532 -16.2079 -16.2079 -16.1977 -16.1977 -14.5155 -14.5155 -14.5103 -14.5103 -14.4416 -14.4416 -14.4128 -14.4128 2.2097 2.2097 3.1452 3.1452 3.7810 3.7810 4.0349 4.0349 6.7403 6.7403 7.4981 7.4981 8.0453 8.0453 8.7029 8.7029 9.1635 9.1635 9.2983 9.2983 9.9425 9.9425 10.0078 10.0078 13.8948 13.8948 13.9215 13.9215 14.3586 14.3586 14.6833 14.6833 k =-0.2660 1.0512 0.7824 ( 3784 PWs) bands (ev): -36.8563 -36.8563 -36.8532 -36.8532 -16.2082 -16.2082 -16.1989 -16.1989 -14.5162 -14.5162 -14.5113 -14.5113 -14.4412 -14.4412 -14.4149 -14.4149 2.2684 2.2684 3.1859 3.1859 3.8235 3.8235 3.9682 3.9682 6.6659 6.6659 7.3771 7.3771 8.1151 8.1151 8.6978 8.6978 9.1347 9.1347 9.2892 9.2892 9.9293 9.9293 9.9981 9.9981 13.9211 13.9211 13.9835 13.9835 14.4228 14.4228 14.7079 14.7079 k =-0.2660 1.0512 0.8068 ( 3784 PWs) bands (ev): -36.8560 -36.8560 -36.8532 -36.8532 -16.2083 -16.2083 -16.1999 -16.1999 -14.5169 -14.5169 -14.5124 -14.5124 -14.4407 -14.4407 -14.4168 -14.4168 2.3285 2.3285 3.2186 3.2186 3.8622 3.8622 3.9101 3.9101 6.5995 6.5995 7.2602 7.2602 8.1838 8.1838 8.6938 8.6938 9.1077 9.1077 9.2742 9.2742 9.9191 9.9191 9.9908 9.9908 13.9452 13.9452 14.0471 14.0471 14.4907 14.4907 14.7312 14.7312 k =-0.2660 1.0512 0.8313 ( 3782 PWs) bands (ev): -36.8556 -36.8556 -36.8532 -36.8532 -16.2085 -16.2085 -16.2009 -16.2009 -14.5175 -14.5175 -14.5134 -14.5134 -14.4401 -14.4401 -14.4187 -14.4187 2.3901 2.3901 3.2396 3.2396 3.8636 3.8636 3.8964 3.8964 6.5421 6.5421 7.1479 7.1479 8.2509 8.2509 8.6908 8.6908 9.0829 9.0829 9.2541 9.2541 9.9120 9.9120 9.9852 9.9852 13.9711 13.9711 14.1075 14.1075 14.5615 14.5615 14.7533 14.7533 k =-0.2660 1.0512 0.8557 ( 3784 PWs) bands (ev): -36.8554 -36.8554 -36.8532 -36.8532 -16.2085 -16.2085 -16.2019 -16.2019 -14.5180 -14.5180 -14.5144 -14.5144 -14.4393 -14.4393 -14.4205 -14.4205 2.4530 2.4530 3.2451 3.2451 3.8326 3.8326 3.9248 3.9248 6.4947 6.4947 7.0409 7.0409 8.3157 8.3157 8.6885 8.6885 9.0607 9.0607 9.2298 9.2298 9.9077 9.9077 9.9802 9.9802 13.9993 13.9993 14.1624 14.1624 14.6339 14.6339 14.7747 14.7747 k =-0.2660 1.0512 0.8802 ( 3787 PWs) bands (ev): -36.8551 -36.8551 -36.8532 -36.8532 -16.2085 -16.2085 -16.2028 -16.2028 -14.5184 -14.5184 -14.5153 -14.5153 -14.4384 -14.4384 -14.4223 -14.4223 2.5172 2.5172 3.2330 3.2330 3.8188 3.8188 3.9469 3.9469 6.4583 6.4583 6.9399 6.9399 8.3775 8.3775 8.6865 8.6865 9.0417 9.0417 9.2023 9.2023 9.9060 9.9060 9.9754 9.9754 14.0301 14.0301 14.2093 14.2093 14.7059 14.7059 14.7961 14.7961 k =-0.2660 1.0512 0.9046 ( 3781 PWs) bands (ev): -36.8548 -36.8548 -36.8532 -36.8532 -16.2084 -16.2084 -16.2037 -16.2037 -14.5188 -14.5188 -14.5162 -14.5162 -14.4375 -14.4375 -14.4240 -14.4240 2.5825 2.5825 3.2037 3.2037 3.8211 3.8211 3.9622 3.9622 6.4336 6.4336 6.8454 6.8454 8.4353 8.4353 8.6845 8.6845 9.0265 9.0265 9.1726 9.1726 9.9066 9.9066 9.9701 9.9701 14.0633 14.0633 14.2458 14.2458 14.7720 14.7720 14.8208 14.8208 k =-0.2660 1.0512 0.9291 ( 3793 PWs) bands (ev): -36.8546 -36.8546 -36.8534 -36.8534 -16.2083 -16.2083 -16.2045 -16.2045 -14.5191 -14.5191 -14.5169 -14.5169 -14.4364 -14.4364 -14.4256 -14.4256 2.6487 2.6487 3.1605 3.1605 3.8356 3.8356 3.9702 3.9702 6.4214 6.4214 6.7584 6.7584 8.4882 8.4882 8.6818 8.6818 9.0157 9.0157 9.1417 9.1417 9.9093 9.9093 9.9641 9.9641 14.0982 14.0982 14.2696 14.2696 14.8164 14.8164 14.8592 14.8592 k =-0.2660 1.0512 0.9535 ( 3791 PWs) bands (ev): -36.8544 -36.8544 -36.8534 -36.8534 -16.2081 -16.2081 -16.2052 -16.2052 -14.5193 -14.5193 -14.5176 -14.5176 -14.4353 -14.4353 -14.4271 -14.4271 2.7157 2.7157 3.1073 3.1073 3.8576 3.8576 3.9707 3.9707 6.4218 6.4218 6.6794 6.6794 8.5350 8.5350 8.6777 8.6777 9.0104 9.0104 9.1109 9.1109 9.9138 9.9138 9.9574 9.9574 14.1341 14.1341 14.2795 14.2795 14.8409 14.8409 14.8959 14.8959 k =-0.2660 1.0512 0.9780 ( 3792 PWs) bands (ev): -36.8542 -36.8542 -36.8535 -36.8535 -16.2078 -16.2078 -16.2059 -16.2059 -14.5193 -14.5193 -14.5181 -14.5181 -14.4341 -14.4341 -14.4286 -14.4286 2.7832 2.7832 3.0477 3.0477 3.8830 3.8830 3.9641 3.9641 6.4349 6.4349 6.6096 6.6096 8.5743 8.5743 8.6715 8.6715 9.0112 9.0112 9.0817 9.0817 9.9197 9.9197 9.9500 9.9500 14.1696 14.1696 14.2761 14.2761 14.8603 14.8603 14.9077 14.9077 k =-0.2660 1.0512 1.0024 ( 3798 PWs) bands (ev): -36.8540 -36.8540 -36.8537 -36.8537 -16.2074 -16.2074 -16.2064 -16.2064 -14.5193 -14.5193 -14.5185 -14.5185 -14.4329 -14.4329 -14.4300 -14.4300 2.8508 2.8508 2.9840 2.9840 3.9085 3.9085 3.9508 3.9508 6.4604 6.4604 6.5498 6.5498 8.6037 8.6037 8.6630 8.6630 9.0188 9.0188 9.0559 9.0559 9.9266 9.9266 9.9423 9.9423 14.2029 14.2029 14.2616 14.2616 14.8767 14.8767 14.9045 14.9045 k =-0.2660 1.0512 1.0269 ( 3802 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2072 -16.2072 -16.2068 -16.2068 -14.5193 -14.5193 -14.5186 -14.5186 -14.4320 -14.4320 -14.4309 -14.4309 2.9161 2.9161 2.9199 2.9199 3.9300 3.9300 3.9336 3.9336 6.4902 6.4902 6.5085 6.5085 8.6166 8.6166 8.6573 8.6573 9.0298 9.0298 9.0387 9.0387 9.9332 9.9332 9.9354 9.9354 14.2248 14.2248 14.2459 14.2459 14.8862 14.8862 14.8987 14.8987 k =-0.2660 1.0512 1.0269 ( 3802 PWs) bands (ev): -36.8538 -36.8538 -36.8538 -36.8538 -16.2072 -16.2072 -16.2068 -16.2068 -14.5193 -14.5193 -14.5186 -14.5186 -14.4320 -14.4320 -14.4309 -14.4309 2.9161 2.9161 2.9199 2.9199 3.9300 3.9300 3.9336 3.9336 6.4902 6.4902 6.5085 6.5085 8.6166 8.6166 8.6573 8.6573 9.0298 9.0298 9.0387 9.0387 9.9332 9.9332 9.9354 9.9354 14.2248 14.2248 14.2459 14.2459 14.8862 14.8862 14.8987 14.8987 k =-0.2720 1.0275 1.0269 ( 3794 PWs) bands (ev): -36.8539 -36.8539 -36.8539 -36.8539 -16.2070 -16.2070 -16.2065 -16.2065 -14.5187 -14.5187 -14.5182 -14.5182 -14.4320 -14.4320 -14.4309 -14.4309 2.9137 2.9137 2.9180 2.9180 3.9098 3.9098 3.9149 3.9149 6.5087 6.5087 6.5258 6.5258 8.6451 8.6451 8.6875 8.6875 9.0339 9.0339 9.0427 9.0427 9.9254 9.9254 9.9295 9.9295 14.2096 14.2096 14.2333 14.2333 14.8406 14.8406 14.8653 14.8653 k =-0.2780 1.0038 1.0269 ( 3798 PWs) bands (ev): -36.8540 -36.8540 -36.8540 -36.8540 -16.2067 -16.2067 -16.2061 -16.2061 -14.5179 -14.5179 -14.5176 -14.5176 -14.4320 -14.4320 -14.4309 -14.4309 2.9107 2.9107 2.9155 2.9155 3.8833 3.8833 3.8898 3.8898 6.5379 6.5379 6.5541 6.5541 8.6728 8.6728 8.7170 8.7170 9.0405 9.0405 9.0493 9.0493 9.9160 9.9160 9.9218 9.9218 14.1865 14.1865 14.2127 14.2127 14.8002 14.8002 14.8346 14.8346 k =-0.2840 0.9801 1.0269 ( 3798 PWs) bands (ev): -36.8541 -36.8541 -36.8541 -36.8541 -16.2064 -16.2064 -16.2056 -16.2056 -14.5170 -14.5170 -14.5168 -14.5168 -14.4320 -14.4320 -14.4309 -14.4309 2.9071 2.9071 2.9125 2.9125 3.8509 3.8509 3.8586 3.8586 6.5774 6.5774 6.5927 6.5927 8.6995 8.6995 8.7454 8.7454 9.0497 9.0497 9.0587 9.0587 9.9047 9.9047 9.9121 9.9121 14.1594 14.1594 14.1878 14.1878 14.7652 14.7652 14.8069 14.8069 k =-0.2900 0.9564 1.0269 ( 3786 PWs) bands (ev): -36.8541 -36.8541 -36.8541 -36.8541 -16.2060 -16.2060 -16.2051 -16.2051 -14.5159 -14.5159 -14.5159 -14.5159 -14.4320 -14.4320 -14.4308 -14.4308 2.9031 2.9031 2.9089 2.9089 3.8133 3.8133 3.8221 3.8221 6.6263 6.6263 6.6411 6.6411 8.7251 8.7251 8.7727 8.7727 9.0618 9.0618 9.0710 9.0710 9.8914 9.8914 9.9000 9.9000 14.1315 14.1315 14.1617 14.1617 14.7348 14.7348 14.7817 14.7817 k =-0.2960 0.9327 1.0269 ( 3790 PWs) bands (ev): -36.8543 -36.8543 -36.8543 -36.8543 -16.2056 -16.2056 -16.2045 -16.2045 -14.5148 -14.5148 -14.5147 -14.5147 -14.4320 -14.4320 -14.4308 -14.4308 2.8987 2.8987 2.9048 2.9048 3.7713 3.7713 3.7810 3.7810 6.6838 6.6838 6.6983 6.6983 8.7493 8.7493 8.7986 8.7986 9.0770 9.0770 9.0864 9.0864 9.8759 9.8759 9.8855 9.8855 14.1055 14.1055 14.1370 14.1370 14.7080 14.7080 14.7584 14.7584 k =-0.3020 0.9090 1.0269 ( 3790 PWs) bands (ev): -36.8544 -36.8544 -36.8544 -36.8544 -16.2050 -16.2050 -16.2038 -16.2038 -14.5136 -14.5136 -14.5134 -14.5134 -14.4320 -14.4320 -14.4307 -14.4307 2.8938 2.8938 2.9003 2.9003 3.7256 3.7256 3.7361 3.7361 6.7492 6.7492 6.7635 6.7635 8.7720 8.7720 8.8227 8.8227 9.0956 9.0956 9.1050 9.1050 9.8582 9.8582 9.8686 9.8686 14.0832 14.0832 14.1157 14.1157 14.6840 14.6840 14.7366 14.7366 k =-0.3080 0.8853 1.0269 ( 3784 PWs) bands (ev): -36.8546 -36.8546 -36.8546 -36.8546 -16.2044 -16.2044 -16.2031 -16.2031 -14.5123 -14.5123 -14.5119 -14.5119 -14.4320 -14.4320 -14.4306 -14.4306 2.8886 2.8886 2.8954 2.8954 3.6770 3.6770 3.6880 3.6880 6.8214 6.8214 6.8359 6.8359 8.7932 8.7932 8.8451 8.8451 9.1174 9.1174 9.1268 9.1268 9.8384 9.8384 9.8493 9.8493 14.0659 14.0659 14.0991 14.0991 14.6622 14.6622 14.7158 14.7158 k =-0.3140 0.8616 1.0269 ( 3788 PWs) bands (ev): -36.8548 -36.8548 -36.8548 -36.8548 -16.2038 -16.2038 -16.2023 -16.2023 -14.5109 -14.5109 -14.5104 -14.5104 -14.4319 -14.4319 -14.4305 -14.4305 2.8830 2.8830 2.8900 2.8900 3.6261 3.6261 3.6375 3.6375 6.8997 6.8997 6.9147 6.9147 8.8128 8.8128 8.8656 8.8656 9.1426 9.1426 9.1517 9.1517 9.8170 9.8170 9.8280 9.8280 14.0542 14.0542 14.0881 14.0881 14.6420 14.6420 14.6953 14.6953 k =-0.3200 0.8378 1.0269 ( 3800 PWs) bands (ev): -36.8550 -36.8550 -36.8550 -36.8550 -16.2031 -16.2031 -16.2015 -16.2015 -14.5094 -14.5094 -14.5088 -14.5088 -14.4317 -14.4317 -14.4303 -14.4303 2.8770 2.8770 2.8842 2.8842 3.5736 3.5736 3.5852 3.5852 6.9833 6.9833 6.9989 6.9989 8.8310 8.8310 8.8842 8.8842 9.1708 9.1708 9.1794 9.1794 9.7943 9.7943 9.8051 9.8051 14.0486 14.0486 14.0830 14.0830 14.6227 14.6227 14.6743 14.6743 k =-0.3260 0.8141 1.0269 ( 3796 PWs) bands (ev): -36.8552 -36.8552 -36.8552 -36.8552 -16.2023 -16.2023 -16.2007 -16.2007 -14.5078 -14.5078 -14.5072 -14.5072 -14.4315 -14.4315 -14.4301 -14.4301 2.8706 2.8706 2.8779 2.8779 3.5201 3.5201 3.5318 3.5318 7.0714 7.0714 7.0879 7.0879 8.8476 8.8476 8.9009 8.9009 9.2016 9.2016 9.2096 9.2096 9.7712 9.7712 9.7813 9.7813 14.0490 14.0490 14.0839 14.0839 14.6034 14.6034 14.6516 14.6516 k =-0.3320 0.7904 1.0269 ( 3792 PWs) bands (ev): -36.8554 -36.8554 -36.8554 -36.8554 -16.2015 -16.2015 -16.1998 -16.1998 -14.5062 -14.5062 -14.5056 -14.5056 -14.4313 -14.4313 -14.4297 -14.4297 2.8639 2.8639 2.8712 2.8712 3.4662 3.4662 3.4778 3.4778 7.1632 7.1632 7.1807 7.1807 8.8630 8.8630 8.9157 8.9157 9.2346 9.2346 9.2416 9.2416 9.7486 9.7486 9.7574 9.7574 14.0553 14.0553 14.0905 14.0905 14.5827 14.5827 14.6252 14.6252 k =-0.3380 0.7667 1.0269 ( 3784 PWs) bands (ev): -36.8556 -36.8556 -36.8556 -36.8556 -16.2007 -16.2007 -16.1989 -16.1989 -14.5046 -14.5046 -14.5039 -14.5039 -14.4309 -14.4309 -14.4293 -14.4293 2.8567 2.8567 2.8639 2.8639 3.4123 3.4123 3.4237 3.4237 7.2578 7.2578 7.2768 7.2768 8.8770 8.8770 8.9286 8.9286 9.2688 9.2688 9.2747 9.2747 9.7278 9.7278 9.7349 9.7349 14.0671 14.0671 14.1025 14.1025 14.5584 14.5584 14.5925 14.5925 k =-0.3440 0.7430 1.0269 ( 3780 PWs) bands (ev): -36.8558 -36.8558 -36.8558 -36.8558 -16.1998 -16.1998 -16.1980 -16.1980 -14.5030 -14.5030 -14.5023 -14.5023 -14.4305 -14.4305 -14.4288 -14.4288 2.8490 2.8490 2.8560 2.8560 3.3590 3.3590 3.3700 3.3700 7.3547 7.3547 7.3751 7.3751 8.8897 8.8897 8.9395 8.9395 9.3034 9.3034 9.3076 9.3076 9.7106 9.7106 9.7154 9.7154 14.0837 14.0837 14.1191 14.1191 14.5276 14.5276 14.5505 14.5505 k =-0.3500 0.7193 1.0269 ( 3786 PWs) bands (ev): -36.8560 -36.8560 -36.8560 -36.8560 -16.1989 -16.1989 -16.1970 -16.1970 -14.5014 -14.5014 -14.5006 -14.5006 -14.4299 -14.4299 -14.4282 -14.4282 2.8408 2.8408 2.8475 2.8475 3.3067 3.3067 3.3171 3.3171 7.4529 7.4529 7.4749 7.4749 8.9012 8.9012 8.9482 8.9482 9.3368 9.3368 9.3389 9.3389 9.6992 9.6992 9.7013 9.7013 14.1045 14.1045 14.1394 14.1394 14.4873 14.4873 14.4976 14.4976 k =-0.3560 0.6956 1.0269 ( 3782 PWs) bands (ev): -36.8563 -36.8563 -36.8563 -36.8563 -16.1980 -16.1980 -16.1960 -16.1960 -14.4998 -14.4998 -14.4991 -14.4991 -14.4292 -14.4292 -14.4274 -14.4274 2.8319 2.8319 2.8381 2.8381 3.2558 3.2558 3.2655 3.2655 7.5516 7.5516 7.5754 7.5754 8.9115 8.9115 8.9546 8.9546 9.3663 9.3663 9.3675 9.3675 9.6955 9.6955 9.6963 9.6963 14.1283 14.1283 14.1619 14.1619 14.4344 14.4344 14.4363 14.4363 k =-0.3620 0.6719 1.0269 ( 3786 PWs) bands (ev): -36.8565 -36.8565 -36.8565 -36.8565 -16.1970 -16.1970 -16.1951 -16.1951 -14.4983 -14.4983 -14.4976 -14.4976 -14.4284 -14.4284 -14.4266 -14.4266 2.8223 2.8223 2.8278 2.8278 3.2068 3.2068 3.2155 3.2155 7.6499 7.6499 7.6754 7.6754 8.9206 8.9206 8.9586 8.9586 9.3877 9.3877 9.3936 9.3936 9.7010 9.7010 9.7045 9.7045 14.1527 14.1527 14.1833 14.1833 14.3645 14.3645 14.3777 14.3777 k =-0.3680 0.6482 1.0269 ( 3794 PWs) bands (ev): -36.8568 -36.8568 -36.8568 -36.8568 -16.1961 -16.1961 -16.1941 -16.1941 -14.4969 -14.4969 -14.4963 -14.4963 -14.4275 -14.4275 -14.4256 -14.4256 2.8116 2.8116 2.8163 2.8163 3.1602 3.1602 3.1678 3.1678 7.7467 7.7467 7.7739 7.7739 8.9288 8.9288 8.9602 8.9602 9.4020 9.4020 9.4144 9.4144 9.7197 9.7197 9.7256 9.7256 14.1689 14.1689 14.1921 14.1921 14.2982 14.2982 14.3247 14.3247 k =-0.3740 0.6244 1.0269 ( 3794 PWs) bands (ev): -36.8571 -36.8571 -36.8571 -36.8571 -16.1951 -16.1951 -16.1931 -16.1931 -14.4956 -14.4956 -14.4950 -14.4950 -14.4264 -14.4264 -14.4244 -14.4244 2.7998 2.7998 2.8034 2.8034 3.1164 3.1164 3.1226 3.1226 7.8408 7.8408 7.8694 7.8694 8.9363 8.9363 8.9597 8.9597 9.4105 9.4105 9.4308 9.4308 9.7515 9.7515 9.7596 9.7596 14.1431 14.1431 14.1589 14.1589 14.2708 14.2708 14.3084 14.3084 k =-0.3800 0.6007 1.0269 ( 3794 PWs) bands (ev): -36.8573 -36.8573 -36.8573 -36.8573 -16.1942 -16.1942 -16.1922 -16.1922 -14.4944 -14.4944 -14.4939 -14.4939 -14.4252 -14.4252 -14.4232 -14.4232 2.7864 2.7864 2.7887 2.7887 3.0759 3.0759 3.0805 3.0805 7.9310 7.9310 7.9604 7.9604 8.9438 8.9438 8.9577 8.9577 9.4158 9.4158 9.4451 9.4451 9.7946 9.7946 9.8047 9.8047 14.0681 14.0681 14.0864 14.0864 14.2903 14.2903 14.3277 14.3277 k =-0.3860 0.5770 1.0269 ( 3802 PWs) bands (ev): -36.8576 -36.8576 -36.8576 -36.8576 -16.1932 -16.1932 -16.1912 -16.1912 -14.4934 -14.4934 -14.4929 -14.4929 -14.4238 -14.4238 -14.4218 -14.4218 2.7712 2.7712 2.7720 2.7720 3.0392 3.0392 3.0420 3.0420 8.0154 8.0154 8.0449 8.0449 8.9523 8.9523 8.9554 8.9554 9.4210 9.4210 9.4595 9.4595 9.8466 9.8466 9.8592 9.8592 13.9771 13.9771 13.9992 13.9992 14.3242 14.3242 14.3594 14.3594 k =-0.3920 0.5533 1.0269 ( 3798 PWs) bands (ev): -36.8578 -36.8578 -36.8578 -36.8578 -16.1922 -16.1922 -16.1903 -16.1903 -14.4924 -14.4924 -14.4920 -14.4920 -14.4224 -14.4224 -14.4203 -14.4203 2.7531 2.7531 2.7539 2.7539 3.0066 3.0066 3.0075 3.0075 8.0925 8.0925 8.1211 8.1211 8.9542 8.9542 8.9629 8.9629 9.4283 9.4283 9.4758 9.4758 9.9060 9.9060 9.9214 9.9214 13.8800 13.8800 13.9053 13.9053 14.3632 14.3632 14.3961 14.3961 k =-0.3980 0.5296 1.0269 ( 3802 PWs) bands (ev): -36.8581 -36.8581 -36.8581 -36.8581 -16.1913 -16.1913 -16.1894 -16.1894 -14.4916 -14.4916 -14.4912 -14.4912 -14.4208 -14.4208 -14.4187 -14.4187 2.7320 2.7320 2.7345 2.7345 2.9773 2.9773 2.9783 2.9783 8.1603 8.1603 8.1867 8.1867 8.9556 8.9556 8.9769 8.9769 9.4396 9.4396 9.4951 9.4951 9.9714 9.9714 9.9901 9.9901 13.7792 13.7792 13.8075 13.8075 14.4052 14.4052 14.4360 14.4360 k =-0.4040 0.5059 1.0269 ( 3798 PWs) bands (ev): -36.8583 -36.8583 -36.8583 -36.8583 -16.1904 -16.1904 -16.1886 -16.1886 -14.4909 -14.4909 -14.4906 -14.4906 -14.4191 -14.4191 -14.4171 -14.4171 2.7090 2.7090 2.7129 2.7129 2.9515 2.9515 2.9541 2.9541 8.2172 8.2172 8.2402 8.2402 8.9614 8.9614 8.9952 8.9952 9.4559 9.4559 9.5180 9.5180 10.0423 10.0423 10.0646 10.0646 13.6759 13.6759 13.7069 13.7069 14.4494 14.4494 14.4785 14.4785 k =-0.4100 0.4822 1.0269 ( 3802 PWs) bands (ev): -36.8586 -36.8586 -36.8586 -36.8586 -16.1895 -16.1895 -16.1877 -16.1877 -14.4903 -14.4903 -14.4901 -14.4901 -14.4174 -14.4174 -14.4154 -14.4154 2.6845 2.6845 2.6895 2.6895 2.9297 2.9297 2.9337 2.9337 8.2619 8.2619 8.2808 8.2808 8.9725 8.9725 9.0178 9.0178 9.4781 9.4781 9.5448 9.5448 10.1182 10.1182 10.1446 10.1446 13.5704 13.5704 13.6041 13.6041 14.4955 14.4955 14.5234 14.5234 k =-0.4160 0.4585 1.0269 ( 3802 PWs) bands (ev): -36.8588 -36.8588 -36.8588 -36.8588 -16.1887 -16.1887 -16.1869 -16.1869 -14.4899 -14.4899 -14.4896 -14.4896 -14.4156 -14.4156 -14.4136 -14.4136 2.6591 2.6591 2.6649 2.6649 2.9116 2.9116 2.9166 2.9166 8.2942 8.2942 8.3088 8.3088 8.9892 8.9892 9.0439 9.0439 9.5066 9.5066 9.5753 9.5753 10.1989 10.1989 10.2296 10.2296 13.4631 13.4631 13.4994 13.4994 14.5426 14.5426 14.5707 14.5707 k =-0.4220 0.4348 1.0269 ( 3806 PWs) bands (ev): -36.8590 -36.8590 -36.8590 -36.8590 -16.1879 -16.1879 -16.1862 -16.1862 -14.4895 -14.4895 -14.4893 -14.4893 -14.4138 -14.4138 -14.4119 -14.4119 2.6334 2.6334 2.6397 2.6397 2.8966 2.8966 2.9023 2.9023 8.3150 8.3150 8.3256 8.3256 9.0106 9.0106 9.0715 9.0715 9.5414 9.5414 9.6094 9.6094 10.2843 10.2843 10.3194 10.3194 13.3544 13.3544 13.3933 13.3933 14.5889 14.5889 14.6200 14.6200 k =-0.4280 0.4110 1.0269 ( 3814 PWs) bands (ev): -36.8593 -36.8593 -36.8593 -36.8593 -16.1871 -16.1871 -16.1855 -16.1855 -14.4892 -14.4892 -14.4890 -14.4890 -14.4120 -14.4120 -14.4102 -14.4102 2.6082 2.6082 2.6147 2.6147 2.8841 2.8841 2.8901 2.8901 8.3258 8.3258 8.3332 8.3332 9.0353 9.0353 9.0990 9.0990 9.5818 9.5818 9.6466 9.6466 10.3742 10.3742 10.4137 10.4137 13.2444 13.2444 13.2858 13.2858 14.6287 14.6287 14.6674 14.6674 k =-0.4340 0.3873 1.0269 ( 3802 PWs) bands (ev): -36.8594 -36.8594 -36.8594 -36.8594 -16.1863 -16.1863 -16.1849 -16.1849 -14.4890 -14.4890 -14.4888 -14.4888 -14.4103 -14.4103 -14.4085 -14.4085 2.5838 2.5838 2.5902 2.5902 2.8737 2.8737 2.8798 2.8798 8.3289 8.3289 8.3339 8.3339 9.0614 9.0614 9.1246 9.1246 9.6268 9.6268 9.6861 9.6861 10.4684 10.4684 10.5122 10.5122 13.1333 13.1333 13.1773 13.1773 14.6481 14.6481 14.6756 14.6756 k =-0.4400 0.3636 1.0269 ( 3800 PWs) bands (ev): -36.8596 -36.8596 -36.8596 -36.8596 -16.1856 -16.1856 -16.1843 -16.1843 -14.4888 -14.4888 -14.4887 -14.4887 -14.4086 -14.4086 -14.4069 -14.4069 2.5607 2.5607 2.5669 2.5669 2.8650 2.8650 2.8710 2.8710 8.3264 8.3264 8.3298 8.3298 9.0874 9.0874 9.1475 9.1475 9.6747 9.6747 9.7272 9.7272 10.5667 10.5667 10.6145 10.6145 13.0214 13.0214 13.0678 13.0678 14.6422 14.6422 14.6542 14.6542 k =-0.4460 0.3399 1.0269 ( 3800 PWs) bands (ev): -36.8598 -36.8598 -36.8598 -36.8598 -16.1850 -16.1850 -16.1837 -16.1837 -14.4887 -14.4887 -14.4886 -14.4886 -14.4070 -14.4070 -14.4054 -14.4054 2.5392 2.5392 2.5450 2.5450 2.8577 2.8577 2.8634 2.8634 8.3201 8.3201 8.3224 8.3224 9.1121 9.1121 9.1673 9.1673 9.7237 9.7237 9.7686 9.7686 10.6687 10.6687 10.7201 10.7201 12.9089 12.9089 12.9575 12.9575 14.6239 14.6239 14.6288 14.6288 k =-0.4520 0.3162 1.0269 ( 3800 PWs) bands (ev): -36.8599 -36.8599 -36.8599 -36.8599 -16.1844 -16.1844 -16.1833 -16.1833 -14.4886 -14.4886 -14.4886 -14.4886 -14.4054 -14.4054 -14.4041 -14.4041 2.5195 2.5195 2.5249 2.5249 2.8516 2.8516 2.8569 2.8569 8.3117 8.3117 8.3132 8.3132 9.1349 9.1349 9.1841 9.1841 9.7721 9.7721 9.8093 9.8093 10.7738 10.7738 10.8282 10.8282 12.7961 12.7961 12.8468 12.8468 14.6007 14.6007 14.6022 14.6022 k =-0.4580 0.2925 1.0269 ( 3796 PWs) bands (ev): -36.8600 -36.8600 -36.8600 -36.8600 -16.1839 -16.1839 -16.1829 -16.1829 -14.4886 -14.4886 -14.4886 -14.4886 -14.4040 -14.4040 -14.4028 -14.4028 2.5019 2.5019 2.5067 2.5067 2.8465 2.8465 2.8513 2.8513 8.3022 8.3022 8.3033 8.3033 9.1552 9.1552 9.1980 9.1980 9.8182 9.8182 9.8483 9.8483 10.8815 10.8815 10.9382 10.9382 12.6834 12.6834 12.7359 12.7359 14.5754 14.5754 14.5759 14.5759 k =-0.4640 0.2688 1.0269 ( 3796 PWs) bands (ev): -36.8602 -36.8602 -36.8601 -36.8601 -16.1834 -16.1834 -16.1825 -16.1825 -14.4886 -14.4886 -14.4886 -14.4886 -14.4028 -14.4028 -14.4017 -14.4017 2.4864 2.4864 2.4906 2.4906 2.8423 2.8423 2.8465 2.8465 8.2927 8.2927 8.2934 8.2934 9.1730 9.1730 9.2092 9.2092 9.8607 9.8607 9.8843 9.8843 10.9906 10.9906 11.0487 11.0487 12.5715 12.5715 12.6253 12.6253 14.5495 14.5495 14.5511 14.5511 k =-0.4700 0.2451 1.0269 ( 3796 PWs) bands (ev): -36.8603 -36.8603 -36.8603 -36.8603 -16.1829 -16.1829 -16.1822 -16.1822 -14.4886 -14.4886 -14.4886 -14.4886 -14.4016 -14.4016 -14.4007 -14.4007 2.4732 2.4732 2.4767 2.4767 2.8389 2.8389 2.8425 2.8425 8.2837 8.2837 8.2842 8.2842 9.1883 9.1883 9.2180 9.2180 9.8985 9.8985 9.9165 9.9165 11.1000 11.1000 11.1584 11.1584 12.4616 12.4616 12.5158 12.5158 14.5254 14.5254 14.5276 14.5276 k =-0.4760 0.2214 1.0269 ( 3796 PWs) bands (ev): -36.8603 -36.8603 -36.8603 -36.8603 -16.1826 -16.1826 -16.1820 -16.1820 -14.4886 -14.4886 -14.4886 -14.4886 -14.4007 -14.4007 -14.4000 -14.4000 2.4624 2.4624 2.4652 2.4652 2.8363 2.8363 2.8392 2.8392 8.2757 8.2757 8.2761 8.2761 9.2011 9.2011 9.2245 9.2245 9.9307 9.9307 9.9440 9.9440 11.2079 11.2079 11.2648 11.2648 12.3554 12.3554 12.4087 12.4087 14.5042 14.5042 14.5064 14.5064 k =-0.4820 0.1977 1.0269 ( 3800 PWs) bands (ev): -36.8604 -36.8604 -36.8604 -36.8604 -16.1823 -16.1823 -16.1818 -16.1818 -14.4886 -14.4886 -14.4886 -14.4886 -14.3999 -14.3999 -14.3994 -14.3994 2.4540 2.4540 2.4561 2.4561 2.8343 2.8343 2.8365 2.8365 8.2692 8.2692 8.2695 8.2695 9.2116 9.2116 9.2289 9.2289 9.9567 9.9567 9.9659 9.9659 11.3112 11.3112 11.3641 11.3641 12.2567 12.2567 12.3067 12.3067 14.4867 14.4867 14.4887 14.4887 k =-0.4880 0.1739 1.0269 ( 3808 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1820 -16.1820 -16.1817 -16.1817 -14.4886 -14.4886 -14.4886 -14.4886 -14.3993 -14.3993 -14.3990 -14.3990 2.4481 2.4481 2.4495 2.4495 2.8331 2.8331 2.8346 2.8346 8.2644 8.2644 8.2646 8.2646 9.2197 9.2197 9.2312 9.2312 9.9759 9.9759 9.9817 9.9817 11.4048 11.4048 11.4487 11.4487 12.1725 12.1725 12.2144 12.2144 14.4737 14.4737 14.4752 14.4752 k =-0.4940 0.1502 1.0269 ( 3812 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1819 -16.1819 -16.1817 -16.1817 -14.4886 -14.4886 -14.4886 -14.4886 -14.3989 -14.3989 -14.3988 -14.3988 2.4446 2.4446 2.4454 2.4454 2.8325 2.8325 2.8332 2.8332 8.2615 8.2615 8.2615 8.2615 9.2257 9.2257 9.2314 9.2314 9.9880 9.9880 9.9908 9.9908 11.4788 11.4788 11.5054 11.5054 12.1160 12.1160 12.1416 12.1416 14.4659 14.4659 14.4667 14.4667 k =-0.5000 0.1265 1.0269 ( 3816 PWs) bands (ev): -36.8606 -36.8606 -36.8606 -36.8606 -16.1818 -16.1818 -16.1818 -16.1818 -14.4886 -14.4886 -14.4886 -14.4886 -14.3987 -14.3987 -14.3987 -14.3987 2.4437 2.4437 2.4437 2.4437 2.8325 2.8325 2.8325 2.8325 8.2605 8.2605 8.2605 8.2605 9.2296 9.2296 9.2296 9.2296 9.9930 9.9930 9.9930 9.9930 11.5170 11.5170 11.5170 11.5170 12.1041 12.1041 12.1041 12.1041 14.4635 14.4635 14.4635 14.4635 k =-0.5000 0.1265 1.0269 ( 3816 PWs) bands (ev): -36.8606 -36.8606 -36.8606 -36.8606 -16.1818 -16.1818 -16.1818 -16.1818 -14.4886 -14.4886 -14.4886 -14.4886 -14.3987 -14.3987 -14.3987 -14.3987 2.4437 2.4437 2.4437 2.4437 2.8325 2.8325 2.8325 2.8325 8.2605 8.2605 8.2605 8.2605 9.2296 9.2296 9.2296 9.2296 9.9930 9.9930 9.9930 9.9930 11.5170 11.5170 11.5170 11.5170 12.1041 12.1041 12.1041 12.1041 14.4635 14.4635 14.4635 14.4635 k =-0.5000 0.1265 1.0024 ( 3812 PWs) bands (ev): -36.8607 -36.8607 -36.8604 -36.8604 -16.1823 -16.1823 -16.1811 -16.1811 -14.4893 -14.4893 -14.4877 -14.4877 -14.3993 -14.3993 -14.3982 -14.3982 2.3306 2.3306 2.5592 2.5592 2.7277 2.7277 2.9382 2.9382 8.1707 8.1707 8.3511 8.3511 9.1653 9.1653 9.2961 9.2961 9.9711 9.9711 10.0180 10.0180 11.4240 11.4240 11.6096 11.6096 12.0127 12.0127 12.1977 12.1977 14.4565 14.4565 14.4603 14.4603 k =-0.5000 0.1265 0.9780 ( 3808 PWs) bands (ev): -36.8609 -36.8609 -36.8603 -36.8603 -16.1827 -16.1827 -16.1804 -16.1804 -14.4898 -14.4898 -14.4865 -14.4865 -14.3999 -14.3999 -14.3977 -14.3977 2.2198 2.2198 2.6232 2.6232 2.6778 2.6778 3.0445 3.0445 8.0827 8.0827 8.4407 8.4407 9.1048 9.1048 9.3641 9.3641 9.9523 9.9523 10.0461 10.0461 11.3311 11.3311 11.7000 11.7000 11.9252 11.9252 12.2933 12.2933 14.4390 14.4390 14.4469 14.4469 k =-0.5000 0.1265 0.9535 ( 3810 PWs) bands (ev): -36.8611 -36.8611 -36.8601 -36.8601 -16.1830 -16.1830 -16.1796 -16.1796 -14.4901 -14.4901 -14.4851 -14.4851 -14.4006 -14.4006 -14.3972 -14.3972 2.1115 2.1115 2.5209 2.5209 2.7976 2.7976 3.1511 3.1511 7.9972 7.9972 8.5263 8.5263 9.0509 9.0509 9.4330 9.4330 9.9364 9.9364 10.0774 10.0774 11.2388 11.2388 11.7720 11.7720 11.8576 11.8576 12.3905 12.3905 14.4108 14.4108 14.4227 14.4227 k =-0.5000 0.1265 0.9291 ( 3814 PWs) bands (ev): -36.8613 -36.8613 -36.8601 -36.8601 -16.1833 -16.1833 -16.1788 -16.1788 -14.4901 -14.4901 -14.4835 -14.4835 -14.4012 -14.4012 -14.3967 -14.3967 2.0056 2.0056 2.4196 2.4196 2.9201 2.9201 3.2578 3.2578 7.9149 7.9149 8.6009 8.6009 9.0103 9.0103 9.5024 9.5024 9.9236 9.9236 10.1119 10.1119 11.1471 11.1471 11.7313 11.7313 11.9040 11.9040 12.4892 12.4892 14.3711 14.3711 14.3869 14.3869 k =-0.5000 0.1265 0.9046 ( 3810 PWs) bands (ev): -36.8616 -36.8616 -36.8600 -36.8600 -16.1834 -16.1834 -16.1778 -16.1778 -14.4899 -14.4899 -14.4817 -14.4817 -14.4019 -14.4019 -14.3963 -14.3963 1.9022 1.9022 2.3197 2.3197 3.0448 3.0448 3.3643 3.3643 7.8362 7.8362 8.6510 8.6510 8.9963 8.9963 9.5720 9.5720 9.9138 9.9138 10.1495 10.1495 11.0565 11.0565 11.6513 11.6513 11.9907 11.9907 12.5894 12.5894 14.3187 14.3187 14.3401 14.3401 k =-0.5000 0.1265 0.8802 ( 3806 PWs) bands (ev): -36.8618 -36.8618 -36.8599 -36.8599 -16.1835 -16.1835 -16.1767 -16.1767 -14.4895 -14.4895 -14.4796 -14.4796 -14.4025 -14.4025 -14.3959 -14.3959 1.8012 1.8012 2.2214 2.2214 3.1718 3.1718 3.4702 3.4702 7.7618 7.7618 8.6620 8.6620 9.0231 9.0231 9.6415 9.6415 9.9071 9.9071 10.1904 10.1904 10.9671 10.9671 11.5701 11.5701 12.0796 12.0796 12.6908 12.6908 14.2521 14.2521 14.2845 14.2845 k =-0.5000 0.1265 0.8557 ( 3806 PWs) bands (ev): -36.8621 -36.8621 -36.8599 -36.8599 -16.1834 -16.1834 -16.1756 -16.1756 -14.4889 -14.4889 -14.4774 -14.4774 -14.4032 -14.4032 -14.3955 -14.3955 1.7028 1.7028 2.1248 2.1248 3.3010 3.3010 3.5751 3.5751 7.6920 7.6920 8.6379 8.6379 9.0863 9.0863 9.7102 9.7102 9.9038 9.9038 10.2346 10.2346 10.8790 10.8790 11.4904 11.4904 12.1679 12.1679 12.7935 12.7935 14.1725 14.1725 14.2227 14.2227 k =-0.5000 0.1265 0.8313 ( 3812 PWs) bands (ev): -36.8624 -36.8624 -36.8599 -36.8599 -16.1833 -16.1833 -16.1744 -16.1744 -14.4881 -14.4881 -14.4749 -14.4749 -14.4039 -14.4039 -14.3952 -14.3952 1.6069 1.6069 2.0301 2.0301 3.4323 3.4323 3.6785 3.6785 7.6276 7.6276 8.5948 8.5948 9.1696 9.1696 9.7771 9.7771 9.9045 9.9045 10.2820 10.2820 10.7924 10.7924 11.4130 11.4130 12.2545 12.2545 12.8971 12.8971 14.0836 14.0836 14.1561 14.1561 k =-0.5000 0.1265 0.8068 ( 3814 PWs) bands (ev): -36.8627 -36.8627 -36.8599 -36.8599 -16.1831 -16.1831 -16.1731 -16.1731 -14.4872 -14.4872 -14.4723 -14.4723 -14.4045 -14.4045 -14.3949 -14.3949 1.5136 1.5136 1.9372 1.9372 3.5656 3.5656 3.7800 3.7800 7.5689 7.5689 8.5431 8.5431 9.2619 9.2619 9.8382 9.8382 9.9131 9.9131 10.3326 10.3326 10.7075 10.7075 11.3383 11.3383 12.3391 12.3391 13.0017 13.0017 13.9886 13.9886 14.0859 14.0859 k =-0.5000 0.1265 0.7824 ( 3810 PWs) bands (ev): -36.8631 -36.8631 -36.8599 -36.8599 -16.1828 -16.1828 -16.1717 -16.1717 -14.4861 -14.4861 -14.4694 -14.4694 -14.4051 -14.4051 -14.3946 -14.3946 1.4228 1.4228 1.8463 1.8463 3.7010 3.7010 3.8790 3.8790 7.5167 7.5167 8.4877 8.4877 9.3578 9.3578 9.8787 9.8787 9.9439 9.9439 10.3865 10.3865 10.6245 10.6245 11.2669 11.2669 12.4211 12.4211 13.1068 13.1068 13.8903 13.8903 14.0135 14.0135 k =-0.5000 0.1265 0.7579 ( 3824 PWs) bands (ev): -36.8634 -36.8634 -36.8600 -36.8600 -16.1825 -16.1825 -16.1703 -16.1703 -14.4848 -14.4848 -14.4665 -14.4665 -14.4057 -14.4057 -14.3944 -14.3944 1.3346 1.3346 1.7575 1.7575 3.8384 3.8384 3.9749 3.9749 7.4716 7.4716 8.4309 8.4309 9.4542 9.4542 9.8957 9.8957 9.9993 9.9993 10.4432 10.4432 10.5439 10.5439 11.1993 11.1993 12.5003 12.5003 13.2122 13.2122 13.7905 13.7905 13.9403 13.9403 k =-0.5000 0.1265 0.7335 ( 3818 PWs) bands (ev): -36.8638 -36.8638 -36.8600 -36.8600 -16.1821 -16.1821 -16.1689 -16.1689 -14.4835 -14.4835 -14.4633 -14.4633 -14.4063 -14.4063 -14.3942 -14.3942 1.2490 1.2490 1.6708 1.6708 3.9775 3.9775 4.0671 4.0671 7.4343 7.4343 8.3736 8.3736 9.5491 9.5491 9.9073 9.9073 10.0609 10.0609 10.4624 10.4624 10.5065 10.5065 11.1363 11.1363 12.5763 12.5763 13.3173 13.3173 13.6905 13.6905 13.8679 13.8679 k =-0.5000 0.1265 0.7090 ( 3810 PWs) bands (ev): -36.8641 -36.8641 -36.8601 -36.8601 -16.1816 -16.1816 -16.1674 -16.1674 -14.4820 -14.4820 -14.4601 -14.4601 -14.4067 -14.4067 -14.3939 -14.3939 1.1660 1.1660 1.5864 1.5864 4.1180 4.1180 4.1553 4.1553 7.4055 7.4055 8.3167 8.3167 9.6404 9.6404 9.9194 9.9194 10.1219 10.1219 10.3881 10.3881 10.5688 10.5688 11.0788 11.0788 12.6488 12.6488 13.4201 13.4201 13.5919 13.5919 13.7982 13.7982 k =-0.5000 0.1265 0.6846 ( 3814 PWs) bands (ev): -36.8645 -36.8645 -36.8602 -36.8602 -16.1811 -16.1811 -16.1658 -16.1658 -14.4805 -14.4805 -14.4567 -14.4567 -14.4071 -14.4071 -14.3937 -14.3937 1.0856 1.0856 1.5042 1.5042 4.2349 4.2349 4.2636 4.2636 7.3858 7.3858 8.2604 8.2604 9.7260 9.7260 9.9333 9.9333 10.1784 10.1784 10.3180 10.3180 10.6355 10.6355 11.0283 11.0283 12.7176 12.7176 13.4806 13.4806 13.5312 13.5312 13.7363 13.7363 k =-0.5000 0.1265 0.6601 ( 3806 PWs) bands (ev): -36.8649 -36.8649 -36.8603 -36.8603 -16.1805 -16.1805 -16.1643 -16.1643 -14.4789 -14.4789 -14.4533 -14.4533 -14.4074 -14.4074 -14.3935 -14.3935 1.0079 1.0079 1.4244 1.4244 4.3124 4.3124 4.4071 4.4071 7.3761 7.3761 8.2050 8.2050 9.8030 9.8030 9.9496 9.9496 10.2061 10.2061 10.2772 10.2772 10.7053 10.7053 10.9864 10.9864 12.7824 12.7824 13.3915 13.3915 13.5889 13.5889 13.7101 13.7101 k =-0.5000 0.1265 0.6357 ( 3804 PWs) bands (ev): -36.8652 -36.8652 -36.8604 -36.8604 -16.1799 -16.1799 -16.1627 -16.1627 -14.4772 -14.4772 -14.4498 -14.4498 -14.4077 -14.4077 -14.3933 -14.3933 0.9328 0.9328 1.3470 1.3470 4.3825 4.3825 4.5530 4.5530 7.3768 7.3768 8.1508 8.1508 9.8680 9.8680 9.9685 9.9685 10.1588 10.1588 10.3119 10.3119 10.7777 10.7777 10.9557 10.9557 12.8430 12.8430 13.2970 13.2970 13.5665 13.5665 13.7749 13.7749 k =-0.5000 0.1265 0.6112 ( 3800 PWs) bands (ev): -36.8656 -36.8656 -36.8605 -36.8605 -16.1792 -16.1792 -16.1611 -16.1611 -14.4756 -14.4756 -14.4463 -14.4463 -14.4077 -14.4077 -14.3930 -14.3930 0.8605 0.8605 1.2720 1.2720 4.4454 4.4454 4.7006 4.7006 7.3885 7.3885 8.0978 8.0978 9.9179 9.9179 9.9875 9.9875 10.1001 10.1001 10.3612 10.3612 10.8504 10.8504 10.9405 10.9405 12.8990 12.8990 13.2045 13.2045 13.5165 13.5165 13.8718 13.8718 k =-0.5000 0.1265 0.5868 ( 3788 PWs) bands (ev): -36.8659 -36.8659 -36.8606 -36.8606 -16.1785 -16.1785 -16.1595 -16.1595 -14.4740 -14.4740 -14.4427 -14.4427 -14.4077 -14.4077 -14.3927 -14.3927 0.7908 0.7908 1.1995 1.1995 4.5008 4.5008 4.8495 4.8495 7.4116 7.4116 8.0464 8.0464 9.9526 9.9526 9.9883 9.9883 10.0613 10.0613 10.4090 10.4090 10.9062 10.9062 10.9599 10.9599 12.9495 12.9495 13.1156 13.1156 13.4665 13.4665 13.9731 13.9731 k =-0.5000 0.1265 0.5623 ( 3796 PWs) bands (ev): -36.8663 -36.8663 -36.8608 -36.8608 -16.1778 -16.1778 -16.1578 -16.1578 -14.4724 -14.4724 -14.4392 -14.4392 -14.4075 -14.4075 -14.3924 -14.3924 0.7238 0.7238 1.1296 1.1296 4.5486 4.5486 4.9996 4.9996 7.4461 7.4461 7.9964 7.9964 9.9431 9.9431 9.9806 9.9806 10.0621 10.0621 10.4531 10.4531 10.9294 10.9294 11.0301 11.0301 12.9827 12.9827 13.0421 13.0421 13.4213 13.4213 14.0742 14.0742 k =-0.5000 0.1265 0.5379 ( 3796 PWs) bands (ev): -36.8667 -36.8667 -36.8609 -36.8609 -16.1771 -16.1771 -16.1562 -16.1562 -14.4709 -14.4709 -14.4358 -14.4358 -14.4071 -14.4071 -14.3920 -14.3920 0.6595 0.6595 1.0623 1.0623 4.5886 4.5886 5.1508 5.1508 7.4921 7.4921 7.9482 7.9482 9.8878 9.8878 9.9974 9.9974 10.0714 10.0714 10.4927 10.4927 10.9562 10.9562 11.1141 11.1141 12.9287 12.9287 13.0541 13.0541 13.3822 13.3822 14.1734 14.1734 k =-0.5000 0.1265 0.5134 ( 3798 PWs) bands (ev): -36.8671 -36.8671 -36.8611 -36.8611 -16.1763 -16.1763 -16.1546 -16.1546 -14.4696 -14.4696 -14.4325 -14.4325 -14.4066 -14.4066 -14.3914 -14.3914 0.5980 0.5980 0.9977 0.9977 4.6211 4.6211 5.3027 5.3027 7.5491 7.5491 7.9017 7.9017 9.8310 9.8310 10.0052 10.0052 10.0807 10.0807 10.5272 10.5272 10.9926 10.9926 11.2030 11.2030 12.8484 12.8484 13.0911 13.0911 13.3501 13.3501 14.2619 14.2619 k =-0.5000 0.1265 0.4890 ( 3798 PWs) bands (ev): -36.8675 -36.8675 -36.8613 -36.8613 -16.1756 -16.1756 -16.1531 -16.1531 -14.4683 -14.4683 -14.4293 -14.4293 -14.4059 -14.4059 -14.3908 -14.3908 0.5392 0.5392 0.9357 0.9357 4.6465 4.6465 5.4554 5.4554 7.6167 7.6167 7.8573 7.8573 9.7754 9.7754 9.9995 9.9995 10.0942 10.0942 10.5562 10.5562 11.0360 11.0360 11.2955 11.2955 12.7688 12.7688 13.1266 13.1266 13.3255 13.3255 14.2433 14.2433 k =-0.5000 0.1265 0.4645 ( 3798 PWs) bands (ev): -36.8678 -36.8678 -36.8614 -36.8614 -16.1748 -16.1748 -16.1515 -16.1515 -14.4672 -14.4672 -14.4264 -14.4264 -14.4050 -14.4050 -14.3900 -14.3900 0.4831 0.4831 0.8765 0.8765 4.6654 4.6654 5.6084 5.6084 7.6936 7.6936 7.8154 7.8154 9.7219 9.7219 9.9818 9.9818 10.1127 10.1127 10.5793 10.5793 11.0828 11.0828 11.3913 11.3913 12.6918 12.6918 13.1588 13.1588 13.3088 13.3088 14.2018 14.2018 k =-0.5000 0.1265 0.4401 ( 3798 PWs) bands (ev): -36.8682 -36.8682 -36.8616 -36.8616 -16.1740 -16.1740 -16.1500 -16.1500 -14.4662 -14.4662 -14.4237 -14.4237 -14.4039 -14.4039 -14.3890 -14.3890 0.4299 0.4299 0.8200 0.8200 4.6784 4.6784 5.7615 5.7615 7.7625 7.7625 7.7929 7.7929 9.6708 9.6708 9.9560 9.9560 10.1342 10.1342 10.5961 10.5961 11.1291 11.1291 11.4903 11.4903 12.6182 12.6182 13.1877 13.1877 13.3001 13.3001 14.1613 14.1613 k =-0.5000 0.1265 0.4156 ( 3798 PWs) bands (ev): -36.8686 -36.8686 -36.8617 -36.8617 -16.1733 -16.1733 -16.1485 -16.1485 -14.4653 -14.4653 -14.4213 -14.4213 -14.4027 -14.4027 -14.3878 -14.3878 0.3794 0.3794 0.7664 0.7664 4.6863 4.6863 5.9143 5.9143 7.7332 7.7332 7.8789 7.8789 9.6220 9.6220 9.9255 9.9255 10.1573 10.1573 10.6067 10.6067 11.1719 11.1719 11.5923 11.5923 12.5485 12.5485 13.2133 13.2133 13.2992 13.2992 14.1224 14.1224 k =-0.5000 0.1265 0.3912 ( 3802 PWs) bands (ev): -36.8690 -36.8690 -36.8619 -36.8619 -16.1725 -16.1725 -16.1471 -16.1471 -14.4646 -14.4646 -14.4192 -14.4192 -14.4013 -14.4013 -14.3864 -14.3864 0.3317 0.3317 0.7156 0.7156 4.6897 4.6897 6.0664 6.0664 7.6979 7.6979 7.9807 7.9807 9.5758 9.5758 9.8924 9.8924 10.1811 10.1811 10.6109 10.6109 11.2082 11.2082 11.6973 11.6973 12.4834 12.4834 13.2358 13.2358 13.3058 13.3058 14.0854 14.0854 k =-0.5000 0.1265 0.3667 ( 3802 PWs) bands (ev): -36.8693 -36.8693 -36.8620 -36.8620 -16.1718 -16.1718 -16.1458 -16.1458 -14.4640 -14.4640 -14.4174 -14.4174 -14.3999 -14.3999 -14.3848 -14.3848 0.2869 0.2869 0.6677 0.6677 4.6895 4.6895 6.2172 6.2172 7.6647 7.6647 8.0892 8.0892 9.5322 9.5322 9.8579 9.8579 10.2053 10.2053 10.6088 10.6088 11.2354 11.2354 11.8051 11.8051 12.4236 12.4236 13.2558 13.2558 13.3192 13.3192 14.0505 14.0505 k =-0.5000 0.1265 0.3423 ( 3794 PWs) bands (ev): -36.8696 -36.8696 -36.8621 -36.8621 -16.1711 -16.1711 -16.1445 -16.1445 -14.4635 -14.4635 -14.4158 -14.4158 -14.3984 -14.3984 -14.3831 -14.3831 0.2448 0.2448 0.6228 0.6228 4.6864 4.6864 6.3662 6.3662 7.6343 7.6343 8.2032 8.2032 9.4913 9.4913 9.8231 9.8231 10.2293 10.2293 10.6005 10.6005 11.2516 11.2516 11.9157 11.9157 12.3700 12.3700 13.2737 13.2737 13.3384 13.3384 14.0176 14.0176 k =-0.5000 0.1265 0.3178 ( 3800 PWs) bands (ev): -36.8700 -36.8700 -36.8623 -36.8623 -16.1705 -16.1705 -16.1432 -16.1432 -14.4632 -14.4632 -14.4146 -14.4146 -14.3968 -14.3968 -14.3811 -14.3811 0.2056 0.2056 0.5808 0.5808 4.6810 4.6810 6.5124 6.5124 7.6072 7.6072 8.3216 8.3216 9.4530 9.4530 9.7886 9.7886 10.2529 10.2529 10.5862 10.5862 11.2552 11.2552 12.0287 12.0287 12.3231 12.3231 13.2897 13.2897 13.3626 13.3626 13.9867 13.9867 k =-0.5000 0.1265 0.2934 ( 3798 PWs) bands (ev): -36.8702 -36.8702 -36.8624 -36.8624 -16.1698 -16.1698 -16.1421 -16.1421 -14.4629 -14.4629 -14.4136 -14.4136 -14.3953 -14.3953 -14.3791 -14.3791 0.1693 0.1693 0.5417 0.5417 4.6739 4.6739 6.6547 6.6547 7.5839 7.5839 8.4434 8.4434 9.4174 9.4174 9.7549 9.7549 10.2760 10.2760 10.5660 10.5660 11.2455 11.2455 12.1440 12.1440 12.2834 12.2834 13.3038 13.3038 13.3911 13.3911 13.9581 13.9581 k =-0.5000 0.1265 0.2689 ( 3802 PWs) bands (ev): -36.8705 -36.8705 -36.8626 -36.8626 -16.1693 -16.1693 -16.1410 -16.1410 -14.4628 -14.4628 -14.4128 -14.4128 -14.3937 -14.3937 -14.3770 -14.3770 0.1358 0.1358 0.5057 0.5057 4.6657 4.6657 6.7914 6.7914 7.5655 7.5655 8.5678 8.5678 9.3845 9.3845 9.7224 9.7224 10.2981 10.2981 10.5402 10.5402 11.2229 11.2229 12.2456 12.2456 12.2665 12.2665 13.3161 13.3161 13.4231 13.4231 13.9317 13.9317 k =-0.5000 0.1265 0.2445 ( 3798 PWs) bands (ev): -36.8707 -36.8707 -36.8627 -36.8627 -16.1687 -16.1687 -16.1400 -16.1400 -14.4627 -14.4627 -14.4122 -14.4122 -14.3922 -14.3922 -14.3750 -14.3750 0.1052 0.1052 0.4727 0.4727 4.6568 4.6568 6.9199 6.9199 7.5537 7.5537 8.6937 8.6937 9.3543 9.3543 9.6913 9.6913 10.3191 10.3191 10.5089 10.5089 11.1884 11.1884 12.2226 12.2226 12.3823 12.3823 13.3266 13.3266 13.4576 13.4576 13.9075 13.9075 k =-0.5000 0.1265 0.2200 ( 3802 PWs) bands (ev): -36.8710 -36.8710 -36.8628 -36.8628 -16.1682 -16.1682 -16.1390 -16.1390 -14.4626 -14.4626 -14.4117 -14.4117 -14.3908 -14.3908 -14.3730 -14.3730 0.0775 0.0775 0.4428 0.4428 4.6477 4.6477 7.0363 7.0363 7.5514 7.5514 8.8203 8.8203 9.3269 9.3269 9.6618 9.6618 10.3386 10.3386 10.4722 10.4722 11.1442 11.1442 12.2015 12.2015 12.5032 12.5032 13.3355 13.3355 13.4934 13.4934 13.8855 13.8855 k =-0.5000 0.1265 0.1956 ( 3794 PWs) bands (ev): -36.8712 -36.8712 -36.8629 -36.8629 -16.1677 -16.1677 -16.1382 -16.1382 -14.4626 -14.4626 -14.4113 -14.4113 -14.3895 -14.3895 -14.3711 -14.3711 0.0527 0.0527 0.4160 0.4160 4.6387 4.6387 7.1347 7.1347 7.5634 7.5634 8.9466 8.9466 9.3023 9.3023 9.6341 9.6341 10.3562 10.3562 10.4306 10.4306 11.0928 11.0928 12.1846 12.1846 12.6251 12.6251 13.3430 13.3430 13.5295 13.5295 13.8659 13.8659 k =-0.5000 0.1265 0.1711 ( 3786 PWs) bands (ev): -36.8714 -36.8714 -36.8630 -36.8630 -16.1673 -16.1673 -16.1374 -16.1374 -14.4626 -14.4626 -14.4110 -14.4110 -14.3882 -14.3882 -14.3694 -14.3694 0.0308 0.0308 0.3923 0.3923 4.6301 4.6301 7.2083 7.2083 7.5951 7.5951 9.0716 9.0716 9.2806 9.2806 9.6084 9.6084 10.3658 10.3658 10.3897 10.3897 11.0372 11.0372 12.1711 12.1711 12.7471 12.7471 13.3493 13.3493 13.5645 13.5645 13.8487 13.8487 k =-0.5000 0.1265 0.1467 ( 3782 PWs) bands (ev): -36.8715 -36.8715 -36.8630 -36.8630 -16.1669 -16.1669 -16.1368 -16.1368 -14.4626 -14.4626 -14.4108 -14.4108 -14.3871 -14.3871 -14.3678 -14.3678 0.0117 0.0117 0.3717 0.3717 4.6221 4.6221 7.2546 7.2546 7.6471 7.6471 9.1930 9.1930 9.2632 9.2632 9.5848 9.5848 10.3251 10.3251 10.3917 10.3917 10.9803 10.9803 12.1602 12.1602 12.8680 12.8680 13.3545 13.3545 13.5975 13.5975 13.8338 13.8338 k =-0.5000 0.1265 0.1222 ( 3784 PWs) bands (ev): -36.8717 -36.8717 -36.8631 -36.8631 -16.1666 -16.1666 -16.1362 -16.1362 -14.4627 -14.4627 -14.4107 -14.4107 -14.3862 -14.3862 -14.3664 -14.3664 -0.0044 -0.0044 0.3543 0.3543 4.6151 4.6151 7.2794 7.2794 7.7118 7.7118 9.2412 9.2412 9.3188 9.3188 9.5639 9.5639 10.2669 10.2669 10.4035 10.4035 10.9253 10.9253 12.1516 12.1516 12.9861 12.9861 13.3587 13.3587 13.6273 13.6273 13.8213 13.8213 k =-0.5000 0.1265 0.0978 ( 3800 PWs) bands (ev): -36.8718 -36.8718 -36.8632 -36.8632 -16.1664 -16.1664 -16.1358 -16.1358 -14.4627 -14.4627 -14.4106 -14.4106 -14.3853 -14.3853 -14.3653 -14.3653 -0.0176 -0.0176 0.3400 0.3400 4.6090 4.6090 7.2911 7.2911 7.7783 7.7783 9.2290 9.2290 9.4330 9.4330 9.5462 9.5462 10.2023 10.2023 10.4139 10.4139 10.8751 10.8751 12.1447 12.1447 13.0985 13.0985 13.3620 13.3620 13.6528 13.6528 13.8113 13.8113 k =-0.5000 0.1265 0.0733 ( 3796 PWs) bands (ev): -36.8719 -36.8719 -36.8632 -36.8632 -16.1662 -16.1662 -16.1354 -16.1354 -14.4628 -14.4628 -14.4105 -14.4105 -14.3847 -14.3847 -14.3644 -14.3644 -0.0278 -0.0278 0.3288 0.3288 4.6042 4.6042 7.2960 7.2960 7.8379 7.8379 9.2185 9.2185 9.5219 9.5219 9.5535 9.5535 10.1320 10.1320 10.4222 10.4222 10.8326 10.8326 12.1394 12.1394 13.2007 13.2007 13.3644 13.3644 13.6731 13.6731 13.8038 13.8038 k =-0.5000 0.1265 0.0489 ( 3792 PWs) bands (ev): -36.8720 -36.8720 -36.8633 -36.8633 -16.1660 -16.1660 -16.1352 -16.1352 -14.4628 -14.4628 -14.4104 -14.4104 -14.3842 -14.3842 -14.3637 -14.3637 -0.0351 -0.0351 0.3209 0.3209 4.6007 4.6007 7.2978 7.2978 7.8844 7.8844 9.2107 9.2107 9.5165 9.5165 9.6521 9.6521 10.0574 10.0574 10.4282 10.4282 10.8002 10.8002 12.1357 12.1357 13.2858 13.2858 13.3662 13.3662 13.6876 13.6876 13.7987 13.7987 k =-0.5000 0.1265 0.0244 ( 3788 PWs) bands (ev): -36.8720 -36.8720 -36.8633 -36.8633 -16.1659 -16.1659 -16.1350 -16.1350 -14.4628 -14.4628 -14.4104 -14.4104 -14.3839 -14.3839 -14.3633 -14.3633 -0.0395 -0.0395 0.3161 0.3161 4.5986 4.5986 7.2984 7.2984 7.9139 7.9139 9.2060 9.2060 9.5098 9.5098 9.7441 9.7441 9.9833 9.9833 10.4319 10.4319 10.7799 10.7799 12.1335 12.1335 13.3439 13.3439 13.3674 13.3674 13.6960 13.6960 13.7957 13.7957 k =-0.5000 0.1265 0.0000 ( 3778 PWs) bands (ev): -36.8720 -36.8720 -36.8632 -36.8632 -16.1659 -16.1659 -16.1349 -16.1349 -14.4628 -14.4628 -14.4104 -14.4104 -14.3838 -14.3838 -14.3632 -14.3632 -0.0410 -0.0410 0.3145 0.3145 4.5979 4.5979 7.2985 7.2985 7.9240 7.9240 9.2044 9.2044 9.5075 9.5075 9.7938 9.7938 9.9397 9.9397 10.4331 10.4331 10.7730 10.7730 12.1328 12.1328 13.3637 13.3637 13.3690 13.3690 13.6987 13.6987 13.7948 13.7948 k = 0.0000 0.0000 1.0269 ( 3808 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4862 -14.4862 -14.4862 -14.4862 -14.4015 -14.4015 -14.4015 -14.4015 2.1633 2.1633 2.1633 2.1633 3.3122 3.3122 3.3122 3.3122 7.1266 7.1266 7.1266 7.1266 9.7989 9.7989 9.7989 9.7989 10.4843 10.4843 10.4843 10.4843 12.2113 12.2113 12.2113 12.2113 12.4514 12.4514 12.4514 12.4514 14.1275 14.1275 14.1275 14.1275 k =-0.0238 0.0060 1.0269 ( 3806 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4862 -14.4862 -14.4862 -14.4862 -14.4015 -14.4015 -14.4015 -14.4015 2.1643 2.1643 2.1643 2.1643 3.3100 3.3100 3.3100 3.3100 7.1310 7.1310 7.1310 7.1310 9.7998 9.7998 9.7998 9.7998 10.4797 10.4797 10.4797 10.4797 12.2063 12.2063 12.2063 12.2063 12.4469 12.4469 12.4469 12.4469 14.1337 14.1337 14.1337 14.1337 k =-0.0476 0.0120 1.0269 ( 3794 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4862 -14.4862 -14.4862 -14.4862 -14.4015 -14.4015 -14.4015 -14.4015 2.1672 2.1672 2.1672 2.1672 3.3034 3.3034 3.3034 3.3034 7.1440 7.1440 7.1440 7.1440 9.8024 9.8024 9.8024 9.8024 10.4662 10.4662 10.4662 10.4662 12.1915 12.1915 12.1915 12.1915 12.4338 12.4338 12.4338 12.4338 14.1516 14.1516 14.1516 14.1516 k =-0.0714 0.0181 1.0269 ( 3798 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4863 -14.4863 -14.4863 -14.4863 -14.4014 -14.4014 -14.4014 -14.4014 2.1721 2.1721 2.1721 2.1721 3.2924 3.2924 3.2924 3.2924 7.1654 7.1654 7.1654 7.1654 9.8066 9.8066 9.8066 9.8066 10.4437 10.4437 10.4437 10.4437 12.1678 12.1678 12.1678 12.1678 12.4134 12.4134 12.4134 12.4134 14.1796 14.1796 14.1796 14.1796 k =-0.0952 0.0241 1.0269 ( 3790 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4864 -14.4864 -14.4864 -14.4864 -14.4013 -14.4013 -14.4013 -14.4013 2.1789 2.1789 2.1789 2.1789 3.2775 3.2775 3.2775 3.2775 7.1952 7.1952 7.1952 7.1952 9.8125 9.8125 9.8125 9.8125 10.4123 10.4123 10.4123 10.4123 12.1362 12.1362 12.1362 12.1362 12.3872 12.3872 12.3872 12.3872 14.2154 14.2154 14.2154 14.2154 k =-0.1190 0.0301 1.0269 ( 3796 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4865 -14.4865 -14.4865 -14.4865 -14.4012 -14.4012 -14.4012 -14.4012 2.1875 2.1875 2.1875 2.1875 3.2587 3.2587 3.2587 3.2587 7.2328 7.2328 7.2328 7.2328 9.8200 9.8200 9.8200 9.8200 10.3720 10.3720 10.3720 10.3720 12.0981 12.0981 12.0981 12.0981 12.3574 12.3574 12.3574 12.3574 14.2559 14.2559 14.2559 14.2559 k =-0.1429 0.0361 1.0269 ( 3792 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4866 -14.4866 -14.4866 -14.4866 -14.4010 -14.4010 -14.4010 -14.4010 2.1980 2.1980 2.1980 2.1980 3.2364 3.2364 3.2364 3.2364 7.2780 7.2780 7.2780 7.2780 9.8289 9.8289 9.8289 9.8289 10.3230 10.3230 10.3230 10.3230 12.0550 12.0550 12.0550 12.0550 12.3258 12.3258 12.3258 12.3258 14.2979 14.2979 14.2979 14.2979 k =-0.1667 0.0422 1.0269 ( 3788 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4868 -14.4868 -14.4868 -14.4868 -14.4008 -14.4008 -14.4008 -14.4008 2.2103 2.2103 2.2103 2.2103 3.2111 3.2111 3.2111 3.2111 7.3302 7.3302 7.3302 7.3302 9.8390 9.8390 9.8390 9.8390 10.2659 10.2659 10.2659 10.2659 12.0082 12.0082 12.0082 12.0082 12.2941 12.2941 12.2941 12.2941 14.3383 14.3383 14.3383 14.3383 k =-0.1905 0.0482 1.0269 ( 3796 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1816 -16.1816 -16.1816 -16.1816 -14.4870 -14.4870 -14.4870 -14.4870 -14.4006 -14.4006 -14.4006 -14.4006 2.2243 2.2243 2.2243 2.2243 3.1830 3.1830 3.1830 3.1830 7.3890 7.3890 7.3890 7.3890 9.8501 9.8501 9.8501 9.8501 10.2011 10.2011 10.2011 10.2011 11.9590 11.9590 11.9590 11.9590 12.2635 12.2635 12.2635 12.2635 14.3746 14.3746 14.3746 14.3746 k =-0.2143 0.0542 1.0269 ( 3798 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1817 -16.1817 -14.4871 -14.4871 -14.4871 -14.4871 -14.4004 -14.4004 -14.4004 -14.4004 2.2400 2.2400 2.2400 2.2400 3.1528 3.1528 3.1528 3.1528 7.4537 7.4537 7.4537 7.4537 9.8619 9.8619 9.8619 9.8619 10.1294 10.1294 10.1294 10.1294 11.9086 11.9086 11.9086 11.9086 12.2352 12.2352 12.2352 12.2352 14.4052 14.4052 14.4052 14.4052 k =-0.2381 0.0602 1.0269 ( 3798 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1817 -16.1817 -14.4873 -14.4873 -14.4873 -14.4873 -14.4002 -14.4002 -14.4002 -14.4002 2.2571 2.2571 2.2571 2.2571 3.1207 3.1207 3.1207 3.1207 7.5238 7.5238 7.5238 7.5238 9.8735 9.8735 9.8735 9.8735 10.0524 10.0524 10.0524 10.0524 11.8580 11.8580 11.8580 11.8580 12.2097 12.2097 12.2097 12.2097 14.4295 14.4295 14.4295 14.4295 k =-0.2619 0.0663 1.0269 ( 3788 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1817 -16.1817 -14.4875 -14.4875 -14.4875 -14.4875 -14.4000 -14.4000 -14.4000 -14.4000 2.2756 2.2756 2.2756 2.2756 3.0874 3.0874 3.0874 3.0874 7.5985 7.5985 7.5985 7.5985 9.8812 9.8812 9.8812 9.8812 9.9744 9.9744 9.9744 9.9744 11.8081 11.8081 11.8081 11.8081 12.1873 12.1873 12.1873 12.1873 14.4475 14.4475 14.4475 14.4475 k =-0.2857 0.0723 1.0269 ( 3804 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1817 -16.1817 -14.4877 -14.4877 -14.4877 -14.4877 -14.3998 -14.3998 -14.3998 -14.3998 2.2953 2.2953 2.2953 2.2953 3.0533 3.0533 3.0533 3.0533 7.6769 7.6769 7.6769 7.6769 9.8554 9.8554 9.8554 9.8554 9.9260 9.9260 9.9260 9.9260 11.7599 11.7599 11.7599 11.7599 12.1682 12.1682 12.1682 12.1682 14.4600 14.4600 14.4600 14.4600 k =-0.3095 0.0783 1.0269 ( 3808 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1817 -16.1817 -14.4879 -14.4879 -14.4879 -14.4879 -14.3996 -14.3996 -14.3996 -14.3996 2.3160 2.3160 2.3160 2.3160 3.0189 3.0189 3.0189 3.0189 7.7582 7.7582 7.7582 7.7582 9.7758 9.7758 9.7758 9.7758 9.9284 9.9284 9.9284 9.9284 11.7142 11.7142 11.7142 11.7142 12.1522 12.1522 12.1522 12.1522 14.4677 14.4677 14.4677 14.4677 k =-0.3333 0.0843 1.0269 ( 3808 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1817 -16.1817 -14.4880 -14.4880 -14.4880 -14.4880 -14.3994 -14.3994 -14.3994 -14.3994 2.3372 2.3372 2.3372 2.3372 2.9849 2.9849 2.9849 2.9849 7.8412 7.8412 7.8412 7.8412 9.6855 9.6855 9.6855 9.6855 9.9395 9.9395 9.9395 9.9395 11.6716 11.6716 11.6716 11.6716 12.1391 12.1391 12.1391 12.1391 14.4716 14.4716 14.4716 14.4716 k =-0.3571 0.0904 1.0269 ( 3810 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1817 -16.1817 -14.4882 -14.4882 -14.4882 -14.4882 -14.3993 -14.3993 -14.3993 -14.3993 2.3587 2.3587 2.3587 2.3587 2.9519 2.9519 2.9519 2.9519 7.9245 7.9245 7.9245 7.9245 9.5939 9.5939 9.5939 9.5939 9.9516 9.9516 9.9516 9.9516 11.6331 11.6331 11.6331 11.6331 12.1285 12.1285 12.1285 12.1285 14.4727 14.4727 14.4727 14.4727 k =-0.3810 0.0964 1.0269 ( 3804 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1817 -16.1817 -14.4883 -14.4883 -14.4883 -14.4883 -14.3991 -14.3991 -14.3991 -14.3991 2.3797 2.3797 2.3797 2.3797 2.9207 2.9207 2.9207 2.9207 8.0061 8.0061 8.0061 8.0061 9.5044 9.5044 9.5044 9.5044 9.9630 9.9630 9.9630 9.9630 11.5991 11.5991 11.5991 11.5991 12.1203 12.1203 12.1203 12.1203 14.4718 14.4718 14.4718 14.4718 k =-0.4048 0.1024 1.0269 ( 3808 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1817 -16.1817 -16.1817 -16.1817 -14.4884 -14.4884 -14.4884 -14.4884 -14.3990 -14.3990 -14.3990 -14.3990 2.3996 2.3996 2.3996 2.3996 2.8924 2.8924 2.8924 2.8924 8.0835 8.0835 8.0835 8.0835 9.4200 9.4200 9.4200 9.4200 9.9731 9.9731 9.9731 9.9731 11.5704 11.5704 11.5704 11.5704 12.1141 12.1141 12.1141 12.1141 14.4699 14.4699 14.4699 14.4699 k =-0.4286 0.1084 1.0269 ( 3814 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1818 -16.1818 -16.1818 -16.1818 -14.4885 -14.4885 -14.4885 -14.4885 -14.3989 -14.3989 -14.3989 -14.3989 2.4172 2.4172 2.4172 2.4172 2.8680 2.8680 2.8680 2.8680 8.1529 8.1529 8.1529 8.1529 9.3448 9.3448 9.3448 9.3448 9.9815 9.9815 9.9815 9.9815 11.5474 11.5474 11.5474 11.5474 12.1095 12.1095 12.1095 12.1095 14.4676 14.4676 14.4676 14.4676 k =-0.4524 0.1145 1.0269 ( 3808 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1818 -16.1818 -16.1818 -16.1818 -14.4886 -14.4886 -14.4886 -14.4886 -14.3988 -14.3988 -14.3988 -14.3988 2.4313 2.4313 2.4313 2.4313 2.8490 2.8490 2.8490 2.8490 8.2095 8.2095 8.2095 8.2095 9.2841 9.2841 9.2841 9.2841 9.9878 9.9878 9.9878 9.9878 11.5306 11.5306 11.5306 11.5306 12.1064 12.1064 12.1064 12.1064 14.4655 14.4655 14.4655 14.4655 k =-0.4762 0.1205 1.0269 ( 3812 PWs) bands (ev): -36.8605 -36.8605 -36.8605 -36.8605 -16.1818 -16.1818 -16.1818 -16.1818 -14.4886 -14.4886 -14.4886 -14.4886 -14.3988 -14.3988 -14.3988 -14.3988 2.4405 2.4405 2.4405 2.4405 2.8368 2.8368 2.8368 2.8368 8.2472 8.2472 8.2472 8.2472 9.2438 9.2438 9.2438 9.2438 9.9917 9.9917 9.9917 9.9917 11.5204 11.5204 11.5204 11.5204 12.1047 12.1047 12.1047 12.1047 14.4640 14.4640 14.4640 14.4640 k =-0.5000 0.1265 1.0269 ( 3816 PWs) bands (ev): -36.8606 -36.8606 -36.8606 -36.8606 -16.1818 -16.1818 -16.1818 -16.1818 -14.4886 -14.4886 -14.4886 -14.4886 -14.3987 -14.3987 -14.3987 -14.3987 2.4437 2.4437 2.4437 2.4437 2.8325 2.8325 2.8325 2.8325 8.2605 8.2605 8.2605 8.2605 9.2296 9.2296 9.2296 9.2296 9.9930 9.9930 9.9930 9.9930 11.5170 11.5170 11.5170 11.5170 12.1041 12.1041 12.1041 12.1041 14.4635 14.4635 14.4635 14.4635 Writing output data file ZrGe2.save init_run : 3.64s CPU 12.77s WALL ( 1 calls) electrons : 715.66s CPU 724.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.37s WALL ( 1 calls) Called by electrons: c_bands : 715.63s CPU 724.07s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.89s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.08s CPU 0.53s WALL ( 1 calls) newd : 0.26s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.10s WALL ( 412 calls) cegterg : 603.31s CPU 607.45s WALL ( 836 calls) Called by sum_band: Called by *egterg: h_psi : 322.69s CPU 330.64s WALL ( 13435 calls) s_psi : 24.08s CPU 24.66s WALL ( 13435 calls) g_psi : 0.65s CPU 0.67s WALL ( 12187 calls) cdiaghg : 201.03s CPU 198.34s WALL ( 12599 calls) cegterg:over : 47.90s CPU 44.66s WALL ( 12187 calls) cegterg:upda : 8.99s CPU 12.42s WALL ( 12187 calls) cegterg:last : 7.95s CPU 8.81s WALL ( 2134 calls) Called by h_psi: h_psi:vloc : 270.19s CPU 276.83s WALL ( 13435 calls) h_psi:vnl : 52.26s CPU 53.14s WALL ( 13435 calls) add_vuspsi : 15.66s CPU 19.65s WALL ( 13435 calls) General routines calbec : 36.55s CPU 33.38s WALL ( 13435 calls) fft : 0.18s CPU 1.00s WALL ( 19 calls) ffts : 0.01s CPU 0.04s WALL ( 4 calls) fftw : 255.28s CPU 257.83s WALL ( 1307228 calls) interpolate : 0.08s CPU 0.10s WALL ( 4 calls) davcio : 0.03s CPU 4.17s WALL ( 824 calls) Parallel routines fft_scatter : 141.16s CPU 140.15s WALL ( 1307251 calls) PWSCF : 13m 8.02s CPU 15m23.93s WALL This run was terminated on: 12:33:22 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=