Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:20:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrIN.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 24 7 2624 1286 207 Max 39 25 8 2631 1302 216 Sum 1393 869 255 94621 46581 7513 bravais-lattice index = 14 lattice parameter (alat) = 7.0373 a.u. unit-cell volume = 975.0530 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.037340 celldm(2)= 1.104726 celldm(3)= 2.532492 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.104726 0.000000 ) a(3) = ( 0.000000 0.000000 2.532492 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.905202 -0.000000 ) b(3) = ( 0.000000 0.000000 0.394868 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) I 7.00 126.90450 I( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found (note: 6 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 408 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0024510 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0024510 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0024510 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0024510 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0024510 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0024510 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0024510 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0024510 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0024510 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0024510 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0024510 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0024510 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0024510 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0024510 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0024510 k( 17) = ( 0.1860465 -0.0000000 -0.0000000), wk = 0.0024510 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0024510 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0024510 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0024510 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0024510 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0024510 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0024510 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0024510 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0024510 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0024510 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0024510 k( 28) = ( 0.3139535 -0.0000000 -0.0000000), wk = 0.0024510 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0024510 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0024510 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0024510 k( 32) = ( 0.3604651 -0.0000000 -0.0000000), wk = 0.0024510 k( 33) = ( 0.3720930 -0.0000000 -0.0000000), wk = 0.0024510 k( 34) = ( 0.3837209 -0.0000000 -0.0000000), wk = 0.0024510 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0024510 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0024510 k( 37) = ( 0.4186047 -0.0000000 -0.0000000), wk = 0.0024510 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0024510 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0024510 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0024510 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0024510 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0024510 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0024510 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024510 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024510 k( 46) = ( 0.5000000 0.0116051 -0.0000000), wk = 0.0024510 k( 47) = ( 0.5000000 0.0232103 -0.0000000), wk = 0.0024510 k( 48) = ( 0.5000000 0.0348155 -0.0000000), wk = 0.0024510 k( 49) = ( 0.5000000 0.0464206 -0.0000000), wk = 0.0024510 k( 50) = ( 0.5000000 0.0580257 -0.0000000), wk = 0.0024510 k( 51) = ( 0.5000000 0.0696309 -0.0000000), wk = 0.0024510 k( 52) = ( 0.5000000 0.0812361 -0.0000000), wk = 0.0024510 k( 53) = ( 0.5000000 0.0928412 -0.0000000), wk = 0.0024510 k( 54) = ( 0.5000000 0.1044464 -0.0000000), wk = 0.0024510 k( 55) = ( 0.5000000 0.1160515 -0.0000000), wk = 0.0024510 k( 56) = ( 0.5000000 0.1276567 -0.0000000), wk = 0.0024510 k( 57) = ( 0.5000000 0.1392618 -0.0000000), wk = 0.0024510 k( 58) = ( 0.5000000 0.1508670 -0.0000000), wk = 0.0024510 k( 59) = ( 0.5000000 0.1624721 -0.0000000), wk = 0.0024510 k( 60) = ( 0.5000000 0.1740773 -0.0000000), wk = 0.0024510 k( 61) = ( 0.5000000 0.1856824 -0.0000000), wk = 0.0024510 k( 62) = ( 0.5000000 0.1972876 -0.0000000), wk = 0.0024510 k( 63) = ( 0.5000000 0.2088927 -0.0000000), wk = 0.0024510 k( 64) = ( 0.5000000 0.2204979 -0.0000000), wk = 0.0024510 k( 65) = ( 0.5000000 0.2321030 -0.0000000), wk = 0.0024510 k( 66) = ( 0.5000000 0.2437082 -0.0000000), wk = 0.0024510 k( 67) = ( 0.5000000 0.2553133 -0.0000000), wk = 0.0024510 k( 68) = ( 0.5000000 0.2669185 -0.0000000), wk = 0.0024510 k( 69) = ( 0.5000000 0.2785236 -0.0000000), wk = 0.0024510 k( 70) = ( 0.5000000 0.2901288 -0.0000000), wk = 0.0024510 k( 71) = ( 0.5000000 0.3017339 -0.0000000), wk = 0.0024510 k( 72) = ( 0.5000000 0.3133391 -0.0000000), wk = 0.0024510 k( 73) = ( 0.5000000 0.3249442 -0.0000000), wk = 0.0024510 k( 74) = ( 0.5000000 0.3365494 -0.0000000), wk = 0.0024510 k( 75) = ( 0.5000000 0.3481545 -0.0000000), wk = 0.0024510 k( 76) = ( 0.5000000 0.3597597 -0.0000000), wk = 0.0024510 k( 77) = ( 0.5000000 0.3713648 -0.0000000), wk = 0.0024510 k( 78) = ( 0.5000000 0.3829700 -0.0000000), wk = 0.0024510 k( 79) = ( 0.5000000 0.3945751 -0.0000000), wk = 0.0024510 k( 80) = ( 0.5000000 0.4061803 -0.0000000), wk = 0.0024510 k( 81) = ( 0.5000000 0.4177854 -0.0000000), wk = 0.0024510 k( 82) = ( 0.5000000 0.4293906 -0.0000000), wk = 0.0024510 k( 83) = ( 0.5000000 0.4409957 -0.0000000), wk = 0.0024510 k( 84) = ( 0.5000000 0.4526009 -0.0000000), wk = 0.0024510 k( 85) = ( 0.5000000 0.4526009 -0.0000000), wk = 0.0024510 k( 86) = ( 0.4883721 0.4526009 -0.0000000), wk = 0.0024510 k( 87) = ( 0.4767442 0.4526009 -0.0000000), wk = 0.0024510 k( 88) = ( 0.4651163 0.4526009 -0.0000000), wk = 0.0024510 k( 89) = ( 0.4534884 0.4526009 -0.0000000), wk = 0.0024510 k( 90) = ( 0.4418605 0.4526009 -0.0000000), wk = 0.0024510 k( 91) = ( 0.4302326 0.4526009 -0.0000000), wk = 0.0024510 k( 92) = ( 0.4186047 0.4526009 -0.0000000), wk = 0.0024510 k( 93) = ( 0.4069767 0.4526009 -0.0000000), wk = 0.0024510 k( 94) = ( 0.3953488 0.4526009 -0.0000000), wk = 0.0024510 k( 95) = ( 0.3837209 0.4526009 -0.0000000), wk = 0.0024510 k( 96) = ( 0.3720930 0.4526009 -0.0000000), wk = 0.0024510 k( 97) = ( 0.3604651 0.4526009 -0.0000000), wk = 0.0024510 k( 98) = ( 0.3488372 0.4526009 -0.0000000), wk = 0.0024510 k( 99) = ( 0.3372093 0.4526009 -0.0000000), wk = 0.0024510 k( 100) = ( 0.3255814 0.4526009 -0.0000000), wk = 0.0024510 k( 101) = ( 0.3139535 0.4526009 -0.0000000), wk = 0.0024510 k( 102) = ( 0.3023256 0.4526009 -0.0000000), wk = 0.0024510 k( 103) = ( 0.2906977 0.4526009 -0.0000000), wk = 0.0024510 k( 104) = ( 0.2790698 0.4526009 -0.0000000), wk = 0.0024510 k( 105) = ( 0.2674419 0.4526009 -0.0000000), wk = 0.0024510 k( 106) = ( 0.2558140 0.4526009 -0.0000000), wk = 0.0024510 k( 107) = ( 0.2441860 0.4526009 -0.0000000), wk = 0.0024510 k( 108) = ( 0.2325581 0.4526009 -0.0000000), wk = 0.0024510 k( 109) = ( 0.2209302 0.4526009 -0.0000000), wk = 0.0024510 k( 110) = ( 0.2093023 0.4526009 -0.0000000), wk = 0.0024510 k( 111) = ( 0.1976744 0.4526009 -0.0000000), wk = 0.0024510 k( 112) = ( 0.1860465 0.4526009 -0.0000000), wk = 0.0024510 k( 113) = ( 0.1744186 0.4526009 -0.0000000), wk = 0.0024510 k( 114) = ( 0.1627907 0.4526009 -0.0000000), wk = 0.0024510 k( 115) = ( 0.1511628 0.4526009 -0.0000000), wk = 0.0024510 k( 116) = ( 0.1395349 0.4526009 -0.0000000), wk = 0.0024510 k( 117) = ( 0.1279070 0.4526009 -0.0000000), wk = 0.0024510 k( 118) = ( 0.1162791 0.4526009 -0.0000000), wk = 0.0024510 k( 119) = ( 0.1046512 0.4526009 -0.0000000), wk = 0.0024510 k( 120) = ( 0.0930233 0.4526009 -0.0000000), wk = 0.0024510 k( 121) = ( 0.0813954 0.4526009 -0.0000000), wk = 0.0024510 k( 122) = ( 0.0697674 0.4526009 -0.0000000), wk = 0.0024510 k( 123) = ( 0.0581395 0.4526009 -0.0000000), wk = 0.0024510 k( 124) = ( 0.0465116 0.4526009 -0.0000000), wk = 0.0024510 k( 125) = ( 0.0348837 0.4526009 -0.0000000), wk = 0.0024510 k( 126) = ( 0.0232558 0.4526009 -0.0000000), wk = 0.0024510 k( 127) = ( 0.0116279 0.4526009 -0.0000000), wk = 0.0024510 k( 128) = ( 0.0000000 0.4526009 -0.0000000), wk = 0.0024510 k( 129) = ( 0.0000000 0.4526009 -0.0000000), wk = 0.0024510 k( 130) = ( 0.0000000 0.4409957 -0.0000000), wk = 0.0024510 k( 131) = ( 0.0000000 0.4293906 -0.0000000), wk = 0.0024510 k( 132) = ( 0.0000000 0.4177854 -0.0000000), wk = 0.0024510 k( 133) = ( 0.0000000 0.4061803 -0.0000000), wk = 0.0024510 k( 134) = ( 0.0000000 0.3945751 -0.0000000), wk = 0.0024510 k( 135) = ( 0.0000000 0.3829700 -0.0000000), wk = 0.0024510 k( 136) = ( 0.0000000 0.3713648 -0.0000000), wk = 0.0024510 k( 137) = ( 0.0000000 0.3597597 -0.0000000), wk = 0.0024510 k( 138) = ( 0.0000000 0.3481545 -0.0000000), wk = 0.0024510 k( 139) = ( 0.0000000 0.3365494 -0.0000000), wk = 0.0024510 k( 140) = ( 0.0000000 0.3249442 -0.0000000), wk = 0.0024510 k( 141) = ( 0.0000000 0.3133391 -0.0000000), wk = 0.0024510 k( 142) = ( 0.0000000 0.3017339 -0.0000000), wk = 0.0024510 k( 143) = ( 0.0000000 0.2901288 -0.0000000), wk = 0.0024510 k( 144) = ( 0.0000000 0.2785236 -0.0000000), wk = 0.0024510 k( 145) = ( 0.0000000 0.2669185 -0.0000000), wk = 0.0024510 k( 146) = ( 0.0000000 0.2553133 -0.0000000), wk = 0.0024510 k( 147) = ( 0.0000000 0.2437082 -0.0000000), wk = 0.0024510 k( 148) = ( 0.0000000 0.2321030 -0.0000000), wk = 0.0024510 k( 149) = ( 0.0000000 0.2204979 -0.0000000), wk = 0.0024510 k( 150) = ( 0.0000000 0.2088927 -0.0000000), wk = 0.0024510 k( 151) = ( 0.0000000 0.1972876 -0.0000000), wk = 0.0024510 k( 152) = ( 0.0000000 0.1856824 -0.0000000), wk = 0.0024510 k( 153) = ( 0.0000000 0.1740773 -0.0000000), wk = 0.0024510 k( 154) = ( 0.0000000 0.1624721 -0.0000000), wk = 0.0024510 k( 155) = ( 0.0000000 0.1508670 -0.0000000), wk = 0.0024510 k( 156) = ( 0.0000000 0.1392618 -0.0000000), wk = 0.0024510 k( 157) = ( 0.0000000 0.1276567 -0.0000000), wk = 0.0024510 k( 158) = ( 0.0000000 0.1160515 -0.0000000), wk = 0.0024510 k( 159) = ( 0.0000000 0.1044464 -0.0000000), wk = 0.0024510 k( 160) = ( 0.0000000 0.0928412 -0.0000000), wk = 0.0024510 k( 161) = ( 0.0000000 0.0812361 -0.0000000), wk = 0.0024510 k( 162) = ( 0.0000000 0.0696309 -0.0000000), wk = 0.0024510 k( 163) = ( 0.0000000 0.0580257 -0.0000000), wk = 0.0024510 k( 164) = ( 0.0000000 0.0464206 -0.0000000), wk = 0.0024510 k( 165) = ( 0.0000000 0.0348155 -0.0000000), wk = 0.0024510 k( 166) = ( 0.0000000 0.0232103 -0.0000000), wk = 0.0024510 k( 167) = ( 0.0000000 0.0116051 -0.0000000), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 170) = ( 0.0000000 0.0000000 0.0116138), wk = 0.0024510 k( 171) = ( 0.0000000 0.0000000 0.0232275), wk = 0.0024510 k( 172) = ( 0.0000000 0.0000000 0.0348413), wk = 0.0024510 k( 173) = ( 0.0000000 0.0000000 0.0464551), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.0580688), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.0696826), wk = 0.0024510 k( 176) = ( 0.0000000 0.0000000 0.0812963), wk = 0.0024510 k( 177) = ( 0.0000000 0.0000000 0.0929101), wk = 0.0024510 k( 178) = ( 0.0000000 0.0000000 0.1045239), wk = 0.0024510 k( 179) = ( 0.0000000 0.0000000 0.1161376), wk = 0.0024510 k( 180) = ( 0.0000000 0.0000000 0.1277514), wk = 0.0024510 k( 181) = ( 0.0000000 0.0000000 0.1393652), wk = 0.0024510 k( 182) = ( 0.0000000 0.0000000 0.1509789), wk = 0.0024510 k( 183) = ( 0.0000000 0.0000000 0.1625927), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.1742065), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.1858202), wk = 0.0024510 k( 186) = ( 0.0000000 0.0000000 0.1974340), wk = 0.0024510 k( 187) = ( 0.0000000 0.0000000 0.1974340), wk = 0.0024510 k( 188) = ( 0.0116279 -0.0000000 0.1974340), wk = 0.0024510 k( 189) = ( 0.0232558 -0.0000000 0.1974340), wk = 0.0024510 k( 190) = ( 0.0348837 -0.0000000 0.1974340), wk = 0.0024510 k( 191) = ( 0.0465116 -0.0000000 0.1974340), wk = 0.0024510 k( 192) = ( 0.0581395 -0.0000000 0.1974340), wk = 0.0024510 k( 193) = ( 0.0697674 -0.0000000 0.1974340), wk = 0.0024510 k( 194) = ( 0.0813954 -0.0000000 0.1974340), wk = 0.0024510 k( 195) = ( 0.0930233 -0.0000000 0.1974340), wk = 0.0024510 k( 196) = ( 0.1046512 -0.0000000 0.1974340), wk = 0.0024510 k( 197) = ( 0.1162791 -0.0000000 0.1974340), wk = 0.0024510 k( 198) = ( 0.1279070 -0.0000000 0.1974340), wk = 0.0024510 k( 199) = ( 0.1395349 -0.0000000 0.1974340), wk = 0.0024510 k( 200) = ( 0.1511628 -0.0000000 0.1974340), wk = 0.0024510 k( 201) = ( 0.1627907 -0.0000000 0.1974340), wk = 0.0024510 k( 202) = ( 0.1744186 -0.0000000 0.1974340), wk = 0.0024510 k( 203) = ( 0.1860465 -0.0000000 0.1974340), wk = 0.0024510 k( 204) = ( 0.1976744 -0.0000000 0.1974340), wk = 0.0024510 k( 205) = ( 0.2093023 -0.0000000 0.1974340), wk = 0.0024510 k( 206) = ( 0.2209302 -0.0000000 0.1974340), wk = 0.0024510 k( 207) = ( 0.2325581 -0.0000000 0.1974340), wk = 0.0024510 k( 208) = ( 0.2441860 -0.0000000 0.1974340), wk = 0.0024510 k( 209) = ( 0.2558140 -0.0000000 0.1974340), wk = 0.0024510 k( 210) = ( 0.2674419 -0.0000000 0.1974340), wk = 0.0024510 k( 211) = ( 0.2790698 -0.0000000 0.1974340), wk = 0.0024510 k( 212) = ( 0.2906977 -0.0000000 0.1974340), wk = 0.0024510 k( 213) = ( 0.3023256 -0.0000000 0.1974340), wk = 0.0024510 k( 214) = ( 0.3139535 -0.0000000 0.1974340), wk = 0.0024510 k( 215) = ( 0.3255814 -0.0000000 0.1974340), wk = 0.0024510 k( 216) = ( 0.3372093 -0.0000000 0.1974340), wk = 0.0024510 k( 217) = ( 0.3488372 -0.0000000 0.1974340), wk = 0.0024510 k( 218) = ( 0.3604651 -0.0000000 0.1974340), wk = 0.0024510 k( 219) = ( 0.3720930 -0.0000000 0.1974340), wk = 0.0024510 k( 220) = ( 0.3837209 -0.0000000 0.1974340), wk = 0.0024510 k( 221) = ( 0.3953488 -0.0000000 0.1974340), wk = 0.0024510 k( 222) = ( 0.4069767 -0.0000000 0.1974340), wk = 0.0024510 k( 223) = ( 0.4186047 -0.0000000 0.1974340), wk = 0.0024510 k( 224) = ( 0.4302326 -0.0000000 0.1974340), wk = 0.0024510 k( 225) = ( 0.4418605 -0.0000000 0.1974340), wk = 0.0024510 k( 226) = ( 0.4534884 -0.0000000 0.1974340), wk = 0.0024510 k( 227) = ( 0.4651163 -0.0000000 0.1974340), wk = 0.0024510 k( 228) = ( 0.4767442 -0.0000000 0.1974340), wk = 0.0024510 k( 229) = ( 0.4883721 -0.0000000 0.1974340), wk = 0.0024510 k( 230) = ( 0.5000000 -0.0000000 0.1974340), wk = 0.0024510 k( 231) = ( 0.5000000 -0.0000000 0.1974340), wk = 0.0024510 k( 232) = ( 0.5000000 0.0116051 0.1974340), wk = 0.0024510 k( 233) = ( 0.5000000 0.0232103 0.1974340), wk = 0.0024510 k( 234) = ( 0.5000000 0.0348155 0.1974340), wk = 0.0024510 k( 235) = ( 0.5000000 0.0464206 0.1974340), wk = 0.0024510 k( 236) = ( 0.5000000 0.0580257 0.1974340), wk = 0.0024510 k( 237) = ( 0.5000000 0.0696309 0.1974340), wk = 0.0024510 k( 238) = ( 0.5000000 0.0812361 0.1974340), wk = 0.0024510 k( 239) = ( 0.5000000 0.0928412 0.1974340), wk = 0.0024510 k( 240) = ( 0.5000000 0.1044464 0.1974340), wk = 0.0024510 k( 241) = ( 0.5000000 0.1160515 0.1974340), wk = 0.0024510 k( 242) = ( 0.5000000 0.1276567 0.1974340), wk = 0.0024510 k( 243) = ( 0.5000000 0.1392618 0.1974340), wk = 0.0024510 k( 244) = ( 0.5000000 0.1508670 0.1974340), wk = 0.0024510 k( 245) = ( 0.5000000 0.1624721 0.1974340), wk = 0.0024510 k( 246) = ( 0.5000000 0.1740773 0.1974340), wk = 0.0024510 k( 247) = ( 0.5000000 0.1856824 0.1974340), wk = 0.0024510 k( 248) = ( 0.5000000 0.1972876 0.1974340), wk = 0.0024510 k( 249) = ( 0.5000000 0.2088927 0.1974340), wk = 0.0024510 k( 250) = ( 0.5000000 0.2204979 0.1974340), wk = 0.0024510 k( 251) = ( 0.5000000 0.2321030 0.1974340), wk = 0.0024510 k( 252) = ( 0.5000000 0.2437082 0.1974340), wk = 0.0024510 k( 253) = ( 0.5000000 0.2553133 0.1974340), wk = 0.0024510 k( 254) = ( 0.5000000 0.2669185 0.1974340), wk = 0.0024510 k( 255) = ( 0.5000000 0.2785236 0.1974340), wk = 0.0024510 k( 256) = ( 0.5000000 0.2901288 0.1974340), wk = 0.0024510 k( 257) = ( 0.5000000 0.3017339 0.1974340), wk = 0.0024510 k( 258) = ( 0.5000000 0.3133391 0.1974340), wk = 0.0024510 k( 259) = ( 0.5000000 0.3249442 0.1974340), wk = 0.0024510 k( 260) = ( 0.5000000 0.3365494 0.1974340), wk = 0.0024510 k( 261) = ( 0.5000000 0.3481545 0.1974340), wk = 0.0024510 k( 262) = ( 0.5000000 0.3597597 0.1974340), wk = 0.0024510 k( 263) = ( 0.5000000 0.3713648 0.1974340), wk = 0.0024510 k( 264) = ( 0.5000000 0.3829700 0.1974340), wk = 0.0024510 k( 265) = ( 0.5000000 0.3945751 0.1974340), wk = 0.0024510 k( 266) = ( 0.5000000 0.4061803 0.1974340), wk = 0.0024510 k( 267) = ( 0.5000000 0.4177854 0.1974340), wk = 0.0024510 k( 268) = ( 0.5000000 0.4293906 0.1974340), wk = 0.0024510 k( 269) = ( 0.5000000 0.4409957 0.1974340), wk = 0.0024510 k( 270) = ( 0.5000000 0.4526009 0.1974340), wk = 0.0024510 k( 271) = ( 0.5000000 0.4526009 0.1974340), wk = 0.0024510 k( 272) = ( 0.4883721 0.4526009 0.1974340), wk = 0.0024510 k( 273) = ( 0.4767442 0.4526009 0.1974340), wk = 0.0024510 k( 274) = ( 0.4651163 0.4526009 0.1974340), wk = 0.0024510 k( 275) = ( 0.4534884 0.4526009 0.1974340), wk = 0.0024510 k( 276) = ( 0.4418605 0.4526009 0.1974340), wk = 0.0024510 k( 277) = ( 0.4302326 0.4526009 0.1974340), wk = 0.0024510 k( 278) = ( 0.4186047 0.4526009 0.1974340), wk = 0.0024510 k( 279) = ( 0.4069767 0.4526009 0.1974340), wk = 0.0024510 k( 280) = ( 0.3953488 0.4526009 0.1974340), wk = 0.0024510 k( 281) = ( 0.3837209 0.4526009 0.1974340), wk = 0.0024510 k( 282) = ( 0.3720930 0.4526009 0.1974340), wk = 0.0024510 k( 283) = ( 0.3604651 0.4526009 0.1974340), wk = 0.0024510 k( 284) = ( 0.3488372 0.4526009 0.1974340), wk = 0.0024510 k( 285) = ( 0.3372093 0.4526009 0.1974340), wk = 0.0024510 k( 286) = ( 0.3255814 0.4526009 0.1974340), wk = 0.0024510 k( 287) = ( 0.3139535 0.4526009 0.1974340), wk = 0.0024510 k( 288) = ( 0.3023256 0.4526009 0.1974340), wk = 0.0024510 k( 289) = ( 0.2906977 0.4526009 0.1974340), wk = 0.0024510 k( 290) = ( 0.2790698 0.4526009 0.1974340), wk = 0.0024510 k( 291) = ( 0.2674419 0.4526009 0.1974340), wk = 0.0024510 k( 292) = ( 0.2558140 0.4526009 0.1974340), wk = 0.0024510 k( 293) = ( 0.2441860 0.4526009 0.1974340), wk = 0.0024510 k( 294) = ( 0.2325581 0.4526009 0.1974340), wk = 0.0024510 k( 295) = ( 0.2209302 0.4526009 0.1974340), wk = 0.0024510 k( 296) = ( 0.2093023 0.4526009 0.1974340), wk = 0.0024510 k( 297) = ( 0.1976744 0.4526009 0.1974340), wk = 0.0024510 k( 298) = ( 0.1860465 0.4526009 0.1974340), wk = 0.0024510 k( 299) = ( 0.1744186 0.4526009 0.1974340), wk = 0.0024510 k( 300) = ( 0.1627907 0.4526009 0.1974340), wk = 0.0024510 k( 301) = ( 0.1511628 0.4526009 0.1974340), wk = 0.0024510 k( 302) = ( 0.1395349 0.4526009 0.1974340), wk = 0.0024510 k( 303) = ( 0.1279070 0.4526009 0.1974340), wk = 0.0024510 k( 304) = ( 0.1162791 0.4526009 0.1974340), wk = 0.0024510 k( 305) = ( 0.1046512 0.4526009 0.1974340), wk = 0.0024510 k( 306) = ( 0.0930233 0.4526009 0.1974340), wk = 0.0024510 k( 307) = ( 0.0813954 0.4526009 0.1974340), wk = 0.0024510 k( 308) = ( 0.0697674 0.4526009 0.1974340), wk = 0.0024510 k( 309) = ( 0.0581395 0.4526009 0.1974340), wk = 0.0024510 k( 310) = ( 0.0465116 0.4526009 0.1974340), wk = 0.0024510 k( 311) = ( 0.0348837 0.4526009 0.1974340), wk = 0.0024510 k( 312) = ( 0.0232558 0.4526009 0.1974340), wk = 0.0024510 k( 313) = ( 0.0116279 0.4526009 0.1974340), wk = 0.0024510 k( 314) = ( 0.0000000 0.4526009 0.1974340), wk = 0.0024510 k( 315) = ( 0.0000000 0.4526009 0.1974340), wk = 0.0024510 k( 316) = ( 0.0000000 0.4409957 0.1974340), wk = 0.0024510 k( 317) = ( 0.0000000 0.4293906 0.1974340), wk = 0.0024510 k( 318) = ( 0.0000000 0.4177854 0.1974340), wk = 0.0024510 k( 319) = ( 0.0000000 0.4061803 0.1974340), wk = 0.0024510 k( 320) = ( 0.0000000 0.3945751 0.1974340), wk = 0.0024510 k( 321) = ( 0.0000000 0.3829700 0.1974340), wk = 0.0024510 k( 322) = ( 0.0000000 0.3713648 0.1974340), wk = 0.0024510 k( 323) = ( 0.0000000 0.3597597 0.1974340), wk = 0.0024510 k( 324) = ( 0.0000000 0.3481545 0.1974340), wk = 0.0024510 k( 325) = ( 0.0000000 0.3365494 0.1974340), wk = 0.0024510 k( 326) = ( 0.0000000 0.3249442 0.1974340), wk = 0.0024510 k( 327) = ( 0.0000000 0.3133391 0.1974340), wk = 0.0024510 k( 328) = ( 0.0000000 0.3017339 0.1974340), wk = 0.0024510 k( 329) = ( 0.0000000 0.2901288 0.1974340), wk = 0.0024510 k( 330) = ( 0.0000000 0.2785236 0.1974340), wk = 0.0024510 k( 331) = ( 0.0000000 0.2669185 0.1974340), wk = 0.0024510 k( 332) = ( 0.0000000 0.2553133 0.1974340), wk = 0.0024510 k( 333) = ( 0.0000000 0.2437082 0.1974340), wk = 0.0024510 k( 334) = ( 0.0000000 0.2321030 0.1974340), wk = 0.0024510 k( 335) = ( 0.0000000 0.2204979 0.1974340), wk = 0.0024510 k( 336) = ( 0.0000000 0.2088927 0.1974340), wk = 0.0024510 k( 337) = ( 0.0000000 0.1972876 0.1974340), wk = 0.0024510 k( 338) = ( 0.0000000 0.1856824 0.1974340), wk = 0.0024510 k( 339) = ( 0.0000000 0.1740773 0.1974340), wk = 0.0024510 k( 340) = ( 0.0000000 0.1624721 0.1974340), wk = 0.0024510 k( 341) = ( 0.0000000 0.1508670 0.1974340), wk = 0.0024510 k( 342) = ( 0.0000000 0.1392618 0.1974340), wk = 0.0024510 k( 343) = ( 0.0000000 0.1276567 0.1974340), wk = 0.0024510 k( 344) = ( 0.0000000 0.1160515 0.1974340), wk = 0.0024510 k( 345) = ( 0.0000000 0.1044464 0.1974340), wk = 0.0024510 k( 346) = ( 0.0000000 0.0928412 0.1974340), wk = 0.0024510 k( 347) = ( 0.0000000 0.0812361 0.1974340), wk = 0.0024510 k( 348) = ( 0.0000000 0.0696309 0.1974340), wk = 0.0024510 k( 349) = ( 0.0000000 0.0580257 0.1974340), wk = 0.0024510 k( 350) = ( 0.0000000 0.0464206 0.1974340), wk = 0.0024510 k( 351) = ( 0.0000000 0.0348155 0.1974340), wk = 0.0024510 k( 352) = ( 0.0000000 0.0232103 0.1974340), wk = 0.0024510 k( 353) = ( 0.0000000 0.0116051 0.1974340), wk = 0.0024510 k( 354) = ( 0.0000000 0.0000000 0.1974340), wk = 0.0024510 k( 355) = ( 0.0000000 0.4526009 -0.0000000), wk = 0.0024510 k( 356) = ( 0.0000000 0.4526009 0.0116138), wk = 0.0024510 k( 357) = ( 0.0000000 0.4526009 0.0232275), wk = 0.0024510 k( 358) = ( 0.0000000 0.4526009 0.0348413), wk = 0.0024510 k( 359) = ( 0.0000000 0.4526009 0.0464551), wk = 0.0024510 k( 360) = ( 0.0000000 0.4526009 0.0580688), wk = 0.0024510 k( 361) = ( 0.0000000 0.4526009 0.0696826), wk = 0.0024510 k( 362) = ( 0.0000000 0.4526009 0.0812963), wk = 0.0024510 k( 363) = ( 0.0000000 0.4526009 0.0929101), wk = 0.0024510 k( 364) = ( 0.0000000 0.4526009 0.1045239), wk = 0.0024510 k( 365) = ( 0.0000000 0.4526009 0.1161376), wk = 0.0024510 k( 366) = ( 0.0000000 0.4526009 0.1277514), wk = 0.0024510 k( 367) = ( 0.0000000 0.4526009 0.1393652), wk = 0.0024510 k( 368) = ( 0.0000000 0.4526009 0.1509789), wk = 0.0024510 k( 369) = ( 0.0000000 0.4526009 0.1625927), wk = 0.0024510 k( 370) = ( 0.0000000 0.4526009 0.1742065), wk = 0.0024510 k( 371) = ( 0.0000000 0.4526009 0.1858202), wk = 0.0024510 k( 372) = ( 0.0000000 0.4526009 0.1974340), wk = 0.0024510 k( 373) = ( 0.5000000 -0.0000000 0.1974340), wk = 0.0024510 k( 374) = ( 0.5000000 -0.0000000 0.1858202), wk = 0.0024510 k( 375) = ( 0.5000000 -0.0000000 0.1742065), wk = 0.0024510 k( 376) = ( 0.5000000 -0.0000000 0.1625927), wk = 0.0024510 k( 377) = ( 0.5000000 -0.0000000 0.1509789), wk = 0.0024510 k( 378) = ( 0.5000000 -0.0000000 0.1393652), wk = 0.0024510 k( 379) = ( 0.5000000 -0.0000000 0.1277514), wk = 0.0024510 k( 380) = ( 0.5000000 -0.0000000 0.1161376), wk = 0.0024510 k( 381) = ( 0.5000000 -0.0000000 0.1045239), wk = 0.0024510 k( 382) = ( 0.5000000 -0.0000000 0.0929101), wk = 0.0024510 k( 383) = ( 0.5000000 -0.0000000 0.0812963), wk = 0.0024510 k( 384) = ( 0.5000000 -0.0000000 0.0696826), wk = 0.0024510 k( 385) = ( 0.5000000 -0.0000000 0.0580688), wk = 0.0024510 k( 386) = ( 0.5000000 -0.0000000 0.0464551), wk = 0.0024510 k( 387) = ( 0.5000000 -0.0000000 0.0348413), wk = 0.0024510 k( 388) = ( 0.5000000 -0.0000000 0.0232275), wk = 0.0024510 k( 389) = ( 0.5000000 -0.0000000 0.0116138), wk = 0.0024510 k( 390) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024510 k( 391) = ( 0.5000000 0.4526009 -0.0000000), wk = 0.0024510 k( 392) = ( 0.5000000 0.4526009 0.0116138), wk = 0.0024510 k( 393) = ( 0.5000000 0.4526009 0.0232275), wk = 0.0024510 k( 394) = ( 0.5000000 0.4526009 0.0348413), wk = 0.0024510 k( 395) = ( 0.5000000 0.4526009 0.0464551), wk = 0.0024510 k( 396) = ( 0.5000000 0.4526009 0.0580688), wk = 0.0024510 k( 397) = ( 0.5000000 0.4526009 0.0696826), wk = 0.0024510 k( 398) = ( 0.5000000 0.4526009 0.0812963), wk = 0.0024510 k( 399) = ( 0.5000000 0.4526009 0.0929101), wk = 0.0024510 k( 400) = ( 0.5000000 0.4526009 0.1045239), wk = 0.0024510 k( 401) = ( 0.5000000 0.4526009 0.1161376), wk = 0.0024510 k( 402) = ( 0.5000000 0.4526009 0.1277514), wk = 0.0024510 k( 403) = ( 0.5000000 0.4526009 0.1393652), wk = 0.0024510 k( 404) = ( 0.5000000 0.4526009 0.1509789), wk = 0.0024510 k( 405) = ( 0.5000000 0.4526009 0.1625927), wk = 0.0024510 k( 406) = ( 0.5000000 0.4526009 0.1742065), wk = 0.0024510 k( 407) = ( 0.5000000 0.4526009 0.1858202), wk = 0.0024510 k( 408) = ( 0.5000000 0.4526009 0.1974340), wk = 0.0024510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0116279 -0.0000000 0.0000000), wk = 0.0024510 k( 3) = ( 0.0232558 -0.0000000 0.0000000), wk = 0.0024510 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0024510 k( 5) = ( 0.0465116 -0.0000000 0.0000000), wk = 0.0024510 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0024510 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0024510 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0024510 k( 9) = ( 0.0930233 -0.0000000 0.0000000), wk = 0.0024510 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0024510 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0024510 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0024510 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0024510 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0024510 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0024510 k( 16) = ( 0.1744186 -0.0000000 0.0000000), wk = 0.0024510 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0024510 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0024510 k( 19) = ( 0.2093023 0.0000000 0.0000000), wk = 0.0024510 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0024510 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0024510 k( 22) = ( 0.2441860 -0.0000000 0.0000000), wk = 0.0024510 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0024510 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0024510 k( 25) = ( 0.2790698 0.0000000 -0.0000000), wk = 0.0024510 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0024510 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0024510 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0024510 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0024510 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0024510 k( 31) = ( 0.3488372 -0.0000000 0.0000000), wk = 0.0024510 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0024510 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0024510 k( 34) = ( 0.3837209 0.0000000 -0.0000000), wk = 0.0024510 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0024510 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0024510 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0024510 k( 38) = ( 0.4302326 0.0000000 -0.0000000), wk = 0.0024510 k( 39) = ( 0.4418605 -0.0000000 0.0000000), wk = 0.0024510 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0024510 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0024510 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0024510 k( 43) = ( 0.4883721 -0.0000000 0.0000000), wk = 0.0024510 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024510 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024510 k( 46) = ( 0.5000000 0.0128205 0.0000000), wk = 0.0024510 k( 47) = ( 0.5000000 0.0256410 0.0000000), wk = 0.0024510 k( 48) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0024510 k( 49) = ( 0.5000000 0.0512821 -0.0000000), wk = 0.0024510 k( 50) = ( 0.5000000 0.0641026 0.0000000), wk = 0.0024510 k( 51) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0024510 k( 52) = ( 0.5000000 0.0897436 -0.0000000), wk = 0.0024510 k( 53) = ( 0.5000000 0.1025641 0.0000000), wk = 0.0024510 k( 54) = ( 0.5000000 0.1153846 0.0000000), wk = 0.0024510 k( 55) = ( 0.5000000 0.1282051 0.0000000), wk = 0.0024510 k( 56) = ( 0.5000000 0.1410256 0.0000000), wk = 0.0024510 k( 57) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0024510 k( 58) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0024510 k( 59) = ( 0.5000000 0.1794872 -0.0000000), wk = 0.0024510 k( 60) = ( 0.5000000 0.1923077 0.0000000), wk = 0.0024510 k( 61) = ( 0.5000000 0.2051282 -0.0000000), wk = 0.0024510 k( 62) = ( 0.5000000 0.2179487 0.0000000), wk = 0.0024510 k( 63) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0024510 k( 64) = ( 0.5000000 0.2435897 0.0000000), wk = 0.0024510 k( 65) = ( 0.5000000 0.2564103 -0.0000000), wk = 0.0024510 k( 66) = ( 0.5000000 0.2692308 0.0000000), wk = 0.0024510 k( 67) = ( 0.5000000 0.2820513 -0.0000000), wk = 0.0024510 k( 68) = ( 0.5000000 0.2948718 0.0000000), wk = 0.0024510 k( 69) = ( 0.5000000 0.3076923 -0.0000000), wk = 0.0024510 k( 70) = ( 0.5000000 0.3205128 0.0000000), wk = 0.0024510 k( 71) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0024510 k( 72) = ( 0.5000000 0.3461538 0.0000000), wk = 0.0024510 k( 73) = ( 0.5000000 0.3589744 -0.0000000), wk = 0.0024510 k( 74) = ( 0.5000000 0.3717949 -0.0000000), wk = 0.0024510 k( 75) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0024510 k( 76) = ( 0.5000000 0.3974359 -0.0000000), wk = 0.0024510 k( 77) = ( 0.5000000 0.4102564 0.0000000), wk = 0.0024510 k( 78) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0024510 k( 79) = ( 0.5000000 0.4358974 -0.0000000), wk = 0.0024510 k( 80) = ( 0.5000000 0.4487179 -0.0000000), wk = 0.0024510 k( 81) = ( 0.5000000 0.4615385 -0.0000000), wk = 0.0024510 k( 82) = ( 0.5000000 0.4743590 -0.0000000), wk = 0.0024510 k( 83) = ( 0.5000000 0.4871795 -0.0000000), wk = 0.0024510 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024510 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024510 k( 86) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0024510 k( 87) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0024510 k( 88) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0024510 k( 89) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0024510 k( 90) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0024510 k( 91) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0024510 k( 92) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0024510 k( 93) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0024510 k( 94) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0024510 k( 95) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0024510 k( 96) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0024510 k( 97) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0024510 k( 98) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0024510 k( 99) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0024510 k( 100) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0024510 k( 101) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0024510 k( 102) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0024510 k( 103) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0024510 k( 104) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0024510 k( 105) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0024510 k( 106) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0024510 k( 107) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0024510 k( 108) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0024510 k( 109) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0024510 k( 110) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0024510 k( 111) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0024510 k( 112) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0024510 k( 113) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0024510 k( 114) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0024510 k( 115) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0024510 k( 116) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0024510 k( 117) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0024510 k( 118) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0024510 k( 119) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0024510 k( 120) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0024510 k( 121) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0024510 k( 122) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0024510 k( 123) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0024510 k( 124) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0024510 k( 125) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0024510 k( 126) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0024510 k( 127) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0024510 k( 128) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024510 k( 129) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024510 k( 130) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0024510 k( 131) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0024510 k( 132) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0024510 k( 133) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0024510 k( 134) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0024510 k( 135) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0024510 k( 136) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0024510 k( 137) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0024510 k( 138) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0024510 k( 139) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0024510 k( 140) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0024510 k( 141) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0024510 k( 142) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0024510 k( 143) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0024510 k( 144) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0024510 k( 145) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0024510 k( 146) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0024510 k( 147) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0024510 k( 148) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0024510 k( 149) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0024510 k( 150) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0024510 k( 151) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0024510 k( 152) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0024510 k( 153) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0024510 k( 154) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0024510 k( 155) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024510 k( 156) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0024510 k( 157) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0024510 k( 158) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0024510 k( 159) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0024510 k( 160) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0024510 k( 161) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0024510 k( 162) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0024510 k( 163) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0024510 k( 164) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0024510 k( 165) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0024510 k( 166) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0024510 k( 167) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 170) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0024510 k( 171) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0024510 k( 172) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0024510 k( 173) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0024510 k( 176) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0024510 k( 177) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0024510 k( 178) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0024510 k( 179) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0024510 k( 180) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0024510 k( 181) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0024510 k( 182) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0024510 k( 183) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0024510 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 188) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0024510 k( 189) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0024510 k( 190) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0024510 k( 191) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0024510 k( 192) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0024510 k( 193) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0024510 k( 194) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0024510 k( 195) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0024510 k( 196) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0024510 k( 197) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0024510 k( 198) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0024510 k( 199) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0024510 k( 200) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0024510 k( 201) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0024510 k( 202) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0024510 k( 203) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0024510 k( 204) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0024510 k( 205) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0024510 k( 206) = ( 0.2209302 -0.0000000 0.5000000), wk = 0.0024510 k( 207) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0024510 k( 208) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0024510 k( 209) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0024510 k( 210) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0024510 k( 211) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0024510 k( 212) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0024510 k( 213) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0024510 k( 214) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0024510 k( 215) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0024510 k( 216) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0024510 k( 217) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0024510 k( 218) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0024510 k( 219) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0024510 k( 220) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0024510 k( 221) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0024510 k( 222) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0024510 k( 223) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0024510 k( 224) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0024510 k( 225) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0024510 k( 226) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0024510 k( 227) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0024510 k( 228) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0024510 k( 229) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0024510 k( 230) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024510 k( 231) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024510 k( 232) = ( 0.5000000 0.0128205 0.5000000), wk = 0.0024510 k( 233) = ( 0.5000000 0.0256410 0.5000000), wk = 0.0024510 k( 234) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0024510 k( 235) = ( 0.5000000 0.0512821 0.5000000), wk = 0.0024510 k( 236) = ( 0.5000000 0.0641026 0.5000000), wk = 0.0024510 k( 237) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0024510 k( 238) = ( 0.5000000 0.0897436 0.5000000), wk = 0.0024510 k( 239) = ( 0.5000000 0.1025641 0.5000000), wk = 0.0024510 k( 240) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0024510 k( 241) = ( 0.5000000 0.1282051 0.5000000), wk = 0.0024510 k( 242) = ( 0.5000000 0.1410256 0.5000000), wk = 0.0024510 k( 243) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0024510 k( 244) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0024510 k( 245) = ( 0.5000000 0.1794872 0.5000000), wk = 0.0024510 k( 246) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0024510 k( 247) = ( 0.5000000 0.2051282 0.5000000), wk = 0.0024510 k( 248) = ( 0.5000000 0.2179487 0.5000000), wk = 0.0024510 k( 249) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0024510 k( 250) = ( 0.5000000 0.2435897 0.5000000), wk = 0.0024510 k( 251) = ( 0.5000000 0.2564103 0.5000000), wk = 0.0024510 k( 252) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0024510 k( 253) = ( 0.5000000 0.2820513 0.5000000), wk = 0.0024510 k( 254) = ( 0.5000000 0.2948718 0.5000000), wk = 0.0024510 k( 255) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0024510 k( 256) = ( 0.5000000 0.3205128 0.5000000), wk = 0.0024510 k( 257) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0024510 k( 258) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0024510 k( 259) = ( 0.5000000 0.3589744 0.5000000), wk = 0.0024510 k( 260) = ( 0.5000000 0.3717949 0.5000000), wk = 0.0024510 k( 261) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0024510 k( 262) = ( 0.5000000 0.3974359 0.5000000), wk = 0.0024510 k( 263) = ( 0.5000000 0.4102564 0.5000000), wk = 0.0024510 k( 264) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0024510 k( 265) = ( 0.5000000 0.4358974 0.5000000), wk = 0.0024510 k( 266) = ( 0.5000000 0.4487179 0.5000000), wk = 0.0024510 k( 267) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0024510 k( 268) = ( 0.5000000 0.4743590 0.5000000), wk = 0.0024510 k( 269) = ( 0.5000000 0.4871795 0.5000000), wk = 0.0024510 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 272) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0024510 k( 273) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0024510 k( 274) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0024510 k( 275) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0024510 k( 276) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0024510 k( 277) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0024510 k( 278) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0024510 k( 279) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0024510 k( 280) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0024510 k( 281) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0024510 k( 282) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0024510 k( 283) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0024510 k( 284) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0024510 k( 285) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0024510 k( 286) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0024510 k( 287) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0024510 k( 288) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0024510 k( 289) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0024510 k( 290) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0024510 k( 291) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0024510 k( 292) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0024510 k( 293) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0024510 k( 294) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0024510 k( 295) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0024510 k( 296) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0024510 k( 297) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0024510 k( 298) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0024510 k( 299) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0024510 k( 300) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0024510 k( 301) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0024510 k( 302) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0024510 k( 303) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0024510 k( 304) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0024510 k( 305) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0024510 k( 306) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0024510 k( 307) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0024510 k( 308) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0024510 k( 309) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0024510 k( 310) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0024510 k( 311) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0024510 k( 312) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0024510 k( 313) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0024510 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024510 k( 315) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024510 k( 316) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0024510 k( 317) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0024510 k( 318) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0024510 k( 319) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0024510 k( 320) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0024510 k( 321) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0024510 k( 322) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0024510 k( 323) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0024510 k( 324) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0024510 k( 325) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0024510 k( 326) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0024510 k( 327) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0024510 k( 328) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0024510 k( 329) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0024510 k( 330) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0024510 k( 331) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0024510 k( 332) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0024510 k( 333) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0024510 k( 334) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0024510 k( 335) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0024510 k( 336) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0024510 k( 337) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0024510 k( 338) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0024510 k( 339) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0024510 k( 340) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0024510 k( 341) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0024510 k( 342) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0024510 k( 343) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0024510 k( 344) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0024510 k( 345) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0024510 k( 346) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0024510 k( 347) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0024510 k( 348) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0024510 k( 349) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0024510 k( 350) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0024510 k( 351) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0024510 k( 352) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0024510 k( 353) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0024510 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 355) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024510 k( 356) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0024510 k( 357) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0024510 k( 358) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0024510 k( 359) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0024510 k( 360) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0024510 k( 361) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0024510 k( 362) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0024510 k( 363) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0024510 k( 364) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0024510 k( 365) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0024510 k( 366) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0024510 k( 367) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0024510 k( 368) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0024510 k( 369) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0024510 k( 370) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0024510 k( 371) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0024510 k( 372) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024510 k( 373) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024510 k( 374) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0024510 k( 375) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0024510 k( 376) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0024510 k( 377) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0024510 k( 378) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0024510 k( 379) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0024510 k( 380) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0024510 k( 381) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0024510 k( 382) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0024510 k( 383) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0024510 k( 384) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0024510 k( 385) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0024510 k( 386) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0024510 k( 387) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0024510 k( 388) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0024510 k( 389) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0024510 k( 390) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024510 k( 391) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024510 k( 392) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0024510 k( 393) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0024510 k( 394) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0024510 k( 395) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0024510 k( 396) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0024510 k( 397) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0024510 k( 398) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0024510 k( 399) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0024510 k( 400) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0024510 k( 401) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0024510 k( 402) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0024510 k( 403) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0024510 k( 404) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0024510 k( 405) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0024510 k( 406) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0024510 k( 407) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0024510 k( 408) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024510 Dense grid: 94621 G-vectors FFT dimensions: ( 45, 45, 108) Smooth grid: 46581 G-vectors FFT dimensions: ( 32, 36, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 336, 40) NL pseudopotentials 0.33 Mb ( 168, 128) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2631) G-vector shells 0.01 Mb ( 1304) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 336, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.16 Mb ( 128, 2, 40) The potential is recalculated from file : ./ZrIN.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.1 secs Computing kpt #: 18 total cpu time spent up to now is 11.5 secs Computing kpt #: 19 total cpu time spent up to now is 11.9 secs Computing kpt #: 20 total cpu time spent up to now is 12.3 secs Computing kpt #: 21 total cpu time spent up to now is 12.8 secs Computing kpt #: 22 total cpu time spent up to now is 13.3 secs Computing kpt #: 23 total cpu time spent up to now is 13.7 secs Computing kpt #: 24 total cpu time spent up to now is 14.2 secs Computing kpt #: 25 total cpu time spent up to now is 14.7 secs Computing kpt #: 26 total cpu time spent up to now is 15.1 secs Computing kpt #: 27 total cpu time spent up to now is 15.6 secs Computing kpt #: 28 total cpu time spent up to now is 16.1 secs Computing kpt #: 29 total cpu time spent up to now is 16.6 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.6 secs Computing kpt #: 32 total cpu time spent up to now is 18.1 secs Computing kpt #: 33 total cpu time spent up to now is 18.7 secs Computing kpt #: 34 total cpu time spent up to now is 19.3 secs Computing kpt #: 35 total cpu time spent up to now is 19.8 secs Computing kpt #: 36 total cpu time spent up to now is 20.4 secs Computing kpt #: 37 total cpu time spent up to now is 21.0 secs Computing kpt #: 38 total cpu time spent up to now is 21.6 secs Computing kpt #: 39 total cpu time spent up to now is 22.2 secs Computing kpt #: 40 total cpu time spent up to now is 22.6 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.6 secs Computing kpt #: 43 total cpu time spent up to now is 24.0 secs Computing kpt #: 44 total cpu time spent up to now is 24.5 secs Computing kpt #: 45 total cpu time spent up to now is 24.9 secs Computing kpt #: 46 total cpu time spent up to now is 25.4 secs Computing kpt #: 47 total cpu time spent up to now is 25.9 secs Computing kpt #: 48 total cpu time spent up to now is 26.3 secs Computing kpt #: 49 total cpu time spent up to now is 26.8 secs Computing kpt #: 50 total cpu time spent up to now is 27.3 secs Computing kpt #: 51 total cpu time spent up to now is 27.8 secs Computing kpt #: 52 total cpu time spent up to now is 28.4 secs Computing kpt #: 53 total cpu time spent up to now is 29.1 secs Computing kpt #: 54 total cpu time spent up to now is 29.8 secs Computing kpt #: 55 total cpu time spent up to now is 30.4 secs Computing kpt #: 56 total cpu time spent up to now is 31.1 secs Computing kpt #: 57 total cpu time spent up to now is 31.6 secs Computing kpt #: 58 total cpu time spent up to now is 32.2 secs Computing kpt #: 59 total cpu time spent up to now is 32.8 secs Computing kpt #: 60 total cpu time spent up to now is 33.3 secs Computing kpt #: 61 total cpu time spent up to now is 33.8 secs Computing kpt #: 62 total cpu time spent up to now is 34.2 secs Computing kpt #: 63 total cpu time spent up to now is 34.7 secs Computing kpt #: 64 total cpu time spent up to now is 35.1 secs Computing kpt #: 65 total cpu time spent up to now is 35.4 secs Computing kpt #: 66 total cpu time spent up to now is 35.8 secs Computing kpt #: 67 total cpu time spent up to now is 36.2 secs Computing kpt #: 68 total cpu time spent up to now is 36.7 secs Computing kpt #: 69 total cpu time spent up to now is 37.1 secs Computing kpt #: 70 total cpu time spent up to now is 37.4 secs Computing kpt #: 71 total cpu time spent up to now is 37.8 secs Computing kpt #: 72 total cpu time spent up to now is 38.2 secs Computing kpt #: 73 total cpu time spent up to now is 38.5 secs Computing kpt #: 74 total cpu time spent up to now is 38.9 secs Computing kpt #: 75 total cpu time spent up to now is 39.3 secs Computing kpt #: 76 total cpu time spent up to now is 39.6 secs Computing kpt #: 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total cpu time spent up to now is 51.2 secs Computing kpt #: 109 total cpu time spent up to now is 51.6 secs Computing kpt #: 110 total cpu time spent up to now is 51.9 secs Computing kpt #: 111 total cpu time spent up to now is 52.3 secs Computing kpt #: 112 total cpu time spent up to now is 52.7 secs Computing kpt #: 113 total cpu time spent up to now is 53.0 secs Computing kpt #: 114 total cpu time spent up to now is 53.4 secs Computing kpt #: 115 total cpu time spent up to now is 53.8 secs Computing kpt #: 116 total cpu time spent up to now is 54.2 secs Computing kpt #: 117 total cpu time spent up to now is 54.6 secs Computing kpt #: 118 total cpu time spent up to now is 55.0 secs Computing kpt #: 119 total cpu time spent up to now is 55.4 secs Computing kpt #: 120 total cpu time spent up to now is 55.9 secs Computing kpt #: 121 total cpu time spent up to now is 56.4 secs Computing kpt #: 122 total cpu time spent up to now is 56.9 secs Computing kpt #: 123 total cpu time spent up 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Computing kpt #: 139 total cpu time spent up to now is 65.8 secs Computing kpt #: 140 total cpu time spent up to now is 66.1 secs Computing kpt #: 141 total cpu time spent up to now is 66.5 secs Computing kpt #: 142 total cpu time spent up to now is 66.8 secs Computing kpt #: 143 total cpu time spent up to now is 67.2 secs Computing kpt #: 144 total cpu time spent up to now is 67.6 secs Computing kpt #: 145 total cpu time spent up to now is 67.9 secs Computing kpt #: 146 total cpu time spent up to now is 68.3 secs Computing kpt #: 147 total cpu time spent up to now is 68.6 secs Computing kpt #: 148 total cpu time spent up to now is 69.0 secs Computing kpt #: 149 total cpu time spent up to now is 69.4 secs Computing kpt #: 150 total cpu time spent up to now is 69.7 secs Computing kpt #: 151 total cpu time spent up to now is 70.1 secs Computing kpt #: 152 total cpu time spent up to now is 70.5 secs Computing kpt #: 153 total cpu time spent up to now is 71.0 secs Computing kpt #: 154 total cpu time spent up to now is 71.4 secs Computing kpt #: 155 total cpu time spent up to now is 71.9 secs Computing kpt #: 156 total cpu time spent up to now is 72.4 secs Computing kpt #: 157 total cpu time spent up to now is 72.9 secs Computing kpt #: 158 total cpu time spent up to now is 73.4 secs Computing kpt #: 159 total cpu time spent up to now is 73.9 secs Computing kpt #: 160 total cpu time spent up to now is 74.5 secs Computing kpt #: 161 total cpu time spent up to now is 75.2 secs Computing kpt #: 162 total cpu time spent up to now is 76.3 secs Computing kpt #: 163 total cpu time spent up to now is 77.3 secs Computing kpt #: 164 total cpu time spent up to now is 78.3 secs Computing kpt #: 165 total cpu time spent up to now is 79.0 secs Computing kpt #: 166 total cpu time spent up to now is 79.5 secs Computing kpt #: 167 total cpu time spent up to now is 80.0 secs Computing kpt #: 168 total cpu time spent up to now is 80.6 secs Computing kpt #: 169 total cpu time spent up 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Computing kpt #: 185 total cpu time spent up to now is 92.9 secs Computing kpt #: 186 total cpu time spent up to now is 93.9 secs Computing kpt #: 187 total cpu time spent up to now is 94.7 secs Computing kpt #: 188 total cpu time spent up to now is 95.5 secs Computing kpt #: 189 total cpu time spent up to now is 96.6 secs Computing kpt #: 190 total cpu time spent up to now is 97.4 secs Computing kpt #: 191 total cpu time spent up to now is 98.4 secs Computing kpt #: 192 total cpu time spent up to now is 99.3 secs Computing kpt #: 193 total cpu time spent up to now is 100.3 secs Computing kpt #: 194 total cpu time spent up to now is 101.2 secs Computing kpt #: 195 total cpu time spent up to now is 102.1 secs Computing kpt #: 196 total cpu time spent up to now is 102.9 secs Computing kpt #: 197 total cpu time spent up to now is 103.7 secs Computing kpt #: 198 total cpu time spent up to now is 104.5 secs Computing kpt #: 199 total cpu time spent up to now is 105.1 secs Computing kpt #: 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cpu time spent up to now is 114.1 secs Computing kpt #: 216 total cpu time spent up to now is 114.5 secs Computing kpt #: 217 total cpu time spent up to now is 115.0 secs Computing kpt #: 218 total cpu time spent up to now is 115.4 secs Computing kpt #: 219 total cpu time spent up to now is 115.9 secs Computing kpt #: 220 total cpu time spent up to now is 116.3 secs Computing kpt #: 221 total cpu time spent up to now is 116.8 secs Computing kpt #: 222 total cpu time spent up to now is 117.2 secs Computing kpt #: 223 total cpu time spent up to now is 117.7 secs Computing kpt #: 224 total cpu time spent up to now is 118.1 secs Computing kpt #: 225 total cpu time spent up to now is 118.6 secs Computing kpt #: 226 total cpu time spent up to now is 119.0 secs Computing kpt #: 227 total cpu time spent up to now is 119.4 secs Computing kpt #: 228 total cpu time spent up to now is 119.9 secs Computing kpt #: 229 total cpu time spent up to now is 120.3 secs Computing kpt #: 230 total cpu time spent up to now is 120.8 secs Computing kpt #: 231 total cpu time spent up to now is 121.2 secs Computing kpt #: 232 total cpu time spent up to now is 121.7 secs Computing kpt #: 233 total cpu time spent up to now is 122.1 secs Computing kpt #: 234 total cpu time spent up to now is 122.6 secs Computing kpt #: 235 total cpu time spent up to now is 123.0 secs Computing kpt #: 236 total cpu time spent up to now is 123.5 secs Computing kpt #: 237 total cpu time spent up to now is 124.0 secs Computing kpt #: 238 total cpu time spent up to now is 124.4 secs Computing kpt #: 239 total cpu time spent up to now is 124.9 secs Computing kpt #: 240 total cpu time spent up to now is 125.4 secs Computing kpt #: 241 total cpu time spent up to now is 126.0 secs Computing kpt #: 242 total cpu time spent up to now is 126.6 secs Computing kpt #: 243 total cpu time spent up to now is 127.2 secs Computing kpt #: 244 total cpu time spent up to now is 127.8 secs Computing kpt #: 245 total cpu time spent up to now is 128.3 secs Computing kpt #: 246 total cpu time spent up to now is 128.8 secs Computing kpt #: 247 total cpu time spent up to now is 129.2 secs Computing kpt #: 248 total cpu time spent up to now is 129.7 secs Computing kpt #: 249 total cpu time spent up to now is 130.1 secs Computing kpt #: 250 total cpu time spent up to now is 130.5 secs Computing kpt #: 251 total cpu time spent up to now is 130.9 secs Computing kpt #: 252 total cpu time spent up to now is 131.2 secs Computing kpt #: 253 total cpu time spent up to now is 131.6 secs Computing kpt #: 254 total cpu time spent up to now is 131.9 secs Computing kpt #: 255 total cpu time spent up to now is 132.3 secs Computing kpt #: 256 total cpu time spent up to now is 132.7 secs Computing kpt #: 257 total cpu time spent up to now is 133.0 secs Computing kpt #: 258 total cpu time spent up to now is 133.4 secs Computing kpt #: 259 total cpu time spent up to now is 133.7 secs Computing kpt #: 260 total cpu time spent up to now is 134.1 secs Computing kpt #: 261 total cpu time spent up to now is 134.5 secs Computing kpt #: 262 total cpu time spent up to now is 134.8 secs Computing kpt #: 263 total cpu time spent up to now is 135.2 secs Computing kpt #: 264 total cpu time spent up to now is 135.5 secs Computing kpt #: 265 total cpu time spent up to now is 135.9 secs Computing kpt #: 266 total cpu time spent up to now is 136.2 secs Computing kpt #: 267 total cpu time spent up to now is 136.6 secs Computing kpt #: 268 total cpu time spent up to now is 137.0 secs Computing kpt #: 269 total cpu time spent up to now is 137.3 secs Computing kpt #: 270 total cpu time spent up to now is 137.7 secs Computing kpt #: 271 total cpu time spent up to now is 138.0 secs Computing kpt #: 272 total cpu time spent up to now is 138.4 secs Computing kpt #: 273 total cpu time spent up to now is 138.8 secs Computing kpt #: 274 total cpu time spent up to now is 139.1 secs Computing kpt #: 275 total cpu time spent up to now is 139.5 secs Computing kpt #: 276 total cpu time spent up to now is 139.8 secs Computing kpt #: 277 total cpu time spent up to now is 140.2 secs Computing kpt #: 278 total cpu time spent up to now is 140.6 secs Computing kpt #: 279 total cpu time spent up to now is 140.9 secs Computing kpt #: 280 total cpu time spent up to now is 141.3 secs Computing kpt #: 281 total cpu time spent up to now is 141.7 secs Computing kpt #: 282 total cpu time spent up to now is 142.1 secs Computing kpt #: 283 total cpu time spent up to now is 142.4 secs Computing kpt #: 284 total cpu time spent up to now is 142.8 secs Computing kpt #: 285 total cpu time spent up to now is 143.1 secs Computing kpt #: 286 total cpu time spent up to now is 143.5 secs Computing kpt #: 287 total cpu time spent up to now is 143.8 secs Computing kpt #: 288 total cpu time spent up to now is 144.2 secs Computing kpt #: 289 total cpu time spent up to now is 144.5 secs Computing kpt #: 290 total cpu time spent up to now is 144.9 secs Computing kpt #: 291 total cpu time spent up to now is 145.3 secs Computing kpt #: 292 total cpu time spent up to now is 145.6 secs Computing kpt #: 293 total cpu time spent up to now is 146.0 secs Computing kpt #: 294 total cpu time spent up to now is 146.3 secs Computing kpt #: 295 total cpu time spent up to now is 146.7 secs Computing kpt #: 296 total cpu time spent up to now is 147.0 secs Computing kpt #: 297 total cpu time spent up to now is 147.4 secs Computing kpt #: 298 total cpu time spent up to now is 147.8 secs Computing kpt #: 299 total cpu time spent up to now is 148.2 secs Computing kpt #: 300 total cpu time spent up to now is 148.6 secs Computing kpt #: 301 total cpu time spent up to now is 149.1 secs Computing kpt #: 302 total cpu time spent up to now is 149.5 secs Computing kpt #: 303 total cpu time spent up to now is 150.0 secs Computing kpt #: 304 total cpu time spent up to now is 150.5 secs Computing kpt #: 305 total cpu time spent up to now is 151.0 secs Computing kpt #: 306 total cpu time spent up to now is 151.5 secs Computing kpt #: 307 total cpu time spent up to now is 152.0 secs Computing kpt #: 308 total cpu time spent up to now is 152.5 secs Computing kpt #: 309 total cpu time spent up to now is 153.0 secs Computing kpt #: 310 total cpu time spent up to now is 153.6 secs Computing kpt #: 311 total cpu time spent up to now is 154.1 secs Computing kpt #: 312 total cpu time spent up to now is 154.6 secs Computing kpt #: 313 total cpu time spent up to now is 155.1 secs Computing kpt #: 314 total cpu time spent up to now is 155.6 secs Computing kpt #: 315 total cpu time spent up to now is 156.1 secs Computing kpt #: 316 total cpu time spent up to now is 156.7 secs Computing kpt #: 317 total cpu time spent up to now is 157.2 secs Computing kpt #: 318 total cpu time spent up to now is 157.8 secs Computing kpt #: 319 total cpu time spent up to now is 158.5 secs Computing kpt #: 320 total cpu time spent up to now is 159.3 secs Computing kpt #: 321 total cpu time spent up to now is 160.0 secs Computing kpt #: 322 total cpu time spent up to now is 160.6 secs Computing kpt #: 323 total cpu time spent up to now is 161.1 secs Computing kpt #: 324 total cpu time spent up to now is 161.5 secs Computing kpt #: 325 total cpu time spent up to now is 161.8 secs Computing kpt #: 326 total cpu time spent up to now is 162.2 secs Computing kpt #: 327 total cpu time spent up to now is 162.6 secs Computing kpt #: 328 total cpu time spent up to now is 162.9 secs Computing kpt #: 329 total cpu time spent up to now is 163.3 secs Computing kpt #: 330 total cpu time spent up to now is 163.6 secs Computing kpt #: 331 total cpu time spent up to now is 164.0 secs Computing kpt #: 332 total cpu time spent up to now is 164.4 secs Computing kpt #: 333 total cpu time spent up to now is 164.7 secs Computing kpt #: 334 total cpu time spent up to now is 165.1 secs Computing kpt #: 335 total cpu time spent up to now is 165.5 secs Computing kpt #: 336 total cpu time spent up to now is 165.8 secs Computing kpt #: 337 total cpu time spent up to now is 166.3 secs Computing kpt #: 338 total cpu time spent up to now is 166.7 secs Computing kpt #: 339 total cpu time spent up to now is 167.1 secs Computing kpt #: 340 total cpu time spent up to now is 167.5 secs Computing kpt #: 341 total cpu time spent up to now is 167.9 secs Computing kpt #: 342 total cpu time spent up to now is 168.3 secs Computing kpt #: 343 total cpu time spent up to now is 168.7 secs Computing kpt #: 344 total cpu time spent up to now is 169.1 secs Computing kpt #: 345 total cpu time spent up to now is 169.6 secs Computing kpt #: 346 total cpu time spent up to now is 170.1 secs Computing kpt #: 347 total cpu time spent up to now is 170.7 secs Computing kpt #: 348 total cpu time spent up to now is 171.3 secs Computing kpt #: 349 total cpu time spent up to now is 172.1 secs Computing kpt #: 350 total cpu time spent up to now is 172.9 secs Computing kpt #: 351 total cpu time spent up to now is 173.8 secs Computing kpt #: 352 total cpu time spent up to now is 174.8 secs Computing kpt #: 353 total cpu time spent up to now is 175.7 secs Computing kpt #: 354 total cpu time spent up to now is 176.5 secs Computing kpt #: 355 total cpu time spent up to now is 177.1 secs Computing kpt #: 356 total cpu time spent up to now is 177.7 secs Computing kpt #: 357 total cpu time spent up to now is 178.3 secs Computing kpt #: 358 total cpu time spent up to now is 178.9 secs Computing kpt #: 359 total cpu time spent up to now is 179.4 secs Computing kpt #: 360 total cpu time spent up to now is 180.0 secs Computing kpt #: 361 total cpu time spent up to now is 180.6 secs Computing kpt #: 362 total cpu time spent up to now is 181.2 secs Computing kpt #: 363 total cpu time spent up to now is 181.7 secs Computing kpt #: 364 total cpu time spent up to now is 182.3 secs Computing kpt #: 365 total cpu time spent up to now is 182.9 secs Computing kpt #: 366 total cpu time spent up to now is 183.4 secs Computing kpt #: 367 total cpu time spent up to now is 184.0 secs Computing kpt #: 368 total cpu time spent up to now is 184.5 secs Computing kpt #: 369 total cpu time spent up to now is 185.1 secs Computing kpt #: 370 total cpu time spent up to now is 185.6 secs Computing kpt #: 371 total cpu time spent up to now is 186.1 secs Computing kpt #: 372 total cpu time spent up to now is 186.6 secs Computing kpt #: 373 total cpu time spent up to now is 187.1 secs Computing kpt #: 374 total cpu time spent up to now is 187.5 secs Computing kpt #: 375 total cpu time spent up to now is 188.0 secs Computing kpt #: 376 total cpu time spent up to now is 188.4 secs Computing kpt #: 377 total cpu time spent up to now is 188.9 secs Computing kpt #: 378 total cpu time spent up to now is 189.3 secs Computing kpt #: 379 total cpu time spent up to now is 189.8 secs Computing kpt #: 380 total cpu time spent up to now is 190.2 secs Computing kpt #: 381 total cpu time spent up to now is 190.7 secs Computing kpt #: 382 total cpu time spent up to now is 191.2 secs Computing kpt #: 383 total cpu time spent up to now is 191.6 secs Computing kpt #: 384 total cpu time spent up to now is 192.1 secs Computing kpt #: 385 total cpu time spent up to now is 192.5 secs Computing kpt #: 386 total cpu time spent up to now is 193.0 secs Computing kpt #: 387 total cpu time spent up to now is 193.5 secs Computing kpt #: 388 total cpu time spent up to now is 193.9 secs Computing kpt #: 389 total cpu time spent up to now is 194.4 secs Computing kpt #: 390 total cpu time spent up to now is 194.8 secs Computing kpt #: 391 total cpu time spent up to now is 195.2 secs Computing kpt #: 392 total cpu time spent up to now is 195.6 secs Computing kpt #: 393 total cpu time spent up to now is 195.9 secs Computing kpt #: 394 total cpu time spent up to now is 196.3 secs Computing kpt #: 395 total cpu time spent up to now is 196.7 secs Computing kpt #: 396 total cpu time spent up to now is 197.0 secs Computing kpt #: 397 total cpu time spent up to now is 197.4 secs Computing kpt #: 398 total cpu time spent up to now is 197.7 secs Computing kpt #: 399 total cpu time spent up to now is 198.1 secs Computing kpt #: 400 total cpu time spent up to now is 198.5 secs Computing kpt #: 401 total cpu time spent up to now is 198.8 secs Computing kpt #: 402 total cpu time spent up to now is 199.2 secs Computing kpt #: 403 total cpu time spent up to now is 199.5 secs Computing kpt #: 404 total cpu time spent up to now is 199.9 secs Computing kpt #: 405 total cpu time spent up to now is 200.3 secs Computing kpt #: 406 total cpu time spent up to now is 200.6 secs Computing kpt #: 407 total cpu time spent up to now is 201.0 secs Computing kpt #: 408 total cpu time spent up to now is 201.3 secs ethr = 3.13E-08, avg # of iterations = 29.4 total cpu time spent up to now is 201.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5803 PWs) bands (ev): -8.9189 -8.9189 -7.9601 -7.9601 -7.2151 -7.2151 -6.9924 -6.9924 0.5843 0.5843 1.2286 1.2286 1.2640 1.2640 1.3389 1.3389 2.4287 2.4287 2.9737 2.9737 3.5070 3.5070 3.8081 3.8081 4.1376 4.1376 4.5851 4.5851 4.9936 4.9936 5.3084 5.3084 6.4315 6.4315 8.0072 8.0072 8.4625 8.4625 9.0110 9.0110 k = 0.0116-0.0000-0.0000 ( 5807 PWs) bands (ev): -8.9181 -8.9181 -7.9600 -7.9600 -7.2147 -7.2147 -6.9920 -6.9920 0.5859 0.5859 1.2289 1.2289 1.2636 1.2636 1.3389 1.3389 2.4291 2.4291 2.9752 2.9752 3.5073 3.5073 3.8077 3.8077 4.1356 4.1356 4.5799 4.5799 4.9885 4.9885 5.3008 5.3008 6.4379 6.4379 8.0125 8.0125 8.4663 8.4663 9.0100 9.0100 k = 0.0233-0.0000-0.0000 ( 5819 PWs) bands (ev): -8.9158 -8.9158 -7.9595 -7.9595 -7.2132 -7.2132 -6.9908 -6.9908 0.5906 0.5906 1.2300 1.2300 1.2622 1.2622 1.3388 1.3388 2.4306 2.4306 2.9798 2.9798 3.5082 3.5082 3.8065 3.8065 4.1297 4.1297 4.5646 4.5646 4.9732 4.9732 5.2786 5.2786 6.4567 6.4567 8.0278 8.0278 8.4776 8.4776 9.0071 9.0071 k = 0.0349-0.0000-0.0000 ( 5809 PWs) bands (ev): -8.9120 -8.9120 -7.9587 -7.9587 -7.2108 -7.2108 -6.9888 -6.9888 0.5984 0.5984 1.2316 1.2316 1.2598 1.2598 1.3390 1.3390 2.4330 2.4330 2.9870 2.9870 3.5097 3.5097 3.8040 3.8040 4.1197 4.1197 4.5400 4.5400 4.9486 4.9486 5.2431 5.2431 6.4870 6.4870 8.0522 8.0522 8.4953 8.4953 9.0025 9.0025 k = 0.0465-0.0000-0.0000 ( 5807 PWs) bands (ev): -8.9066 -8.9066 -7.9576 -7.9576 -7.2075 -7.2075 -6.9859 -6.9859 0.6094 0.6094 1.2339 1.2339 1.2564 1.2564 1.3396 1.3396 2.4365 2.4365 2.9963 2.9963 3.5118 3.5118 3.7998 3.7998 4.1056 4.1056 4.5073 4.5073 4.9154 4.9154 5.1971 5.1971 6.5275 6.5275 8.0838 8.0838 8.5183 8.5183 8.9962 8.9962 k = 0.0581-0.0000-0.0000 ( 5803 PWs) bands (ev): -8.8998 -8.8998 -7.9562 -7.9562 -7.2032 -7.2032 -6.9823 -6.9823 0.6235 0.6235 1.2366 1.2366 1.2519 1.2519 1.3410 1.3410 2.4411 2.4411 3.0067 3.0067 3.5145 3.5145 3.7928 3.7928 4.0878 4.0878 4.4681 4.4681 4.8742 4.8742 5.1437 5.1437 6.5765 6.5765 8.1209 8.1209 8.5446 8.5446 8.9883 8.9883 k = 0.0698-0.0000-0.0000 ( 5803 PWs) bands (ev): -8.8915 -8.8915 -7.9547 -7.9547 -7.1979 -7.1979 -6.9778 -6.9778 0.6407 0.6407 1.2385 1.2385 1.2476 1.2476 1.3434 1.3434 2.4467 2.4467 3.0171 3.0171 3.5177 3.5177 3.7817 3.7817 4.0669 4.0669 4.4242 4.4242 4.8252 4.8252 5.0873 5.0873 6.6326 6.6326 8.1611 8.1611 8.5721 8.5721 8.9792 8.9792 k = 0.0814-0.0000-0.0000 ( 5806 PWs) bands (ev): -8.8817 -8.8817 -7.9529 -7.9529 -7.1918 -7.1918 -6.9726 -6.9726 0.6610 0.6610 1.2354 1.2354 1.2480 1.2480 1.3471 1.3471 2.4535 2.4535 3.0262 3.0262 3.5213 3.5213 3.7647 3.7647 4.0439 4.0439 4.3776 4.3776 4.7680 4.7680 5.0321 5.0321 6.6942 6.6942 8.2024 8.2024 8.5986 8.5986 8.9690 8.9690 k = 0.0930-0.0000-0.0000 ( 5808 PWs) bands (ev): -8.8706 -8.8706 -7.9510 -7.9510 -7.1847 -7.1847 -6.9665 -6.9665 0.6844 0.6844 1.2282 1.2282 1.2522 1.2522 1.3519 1.3519 2.4613 2.4613 3.0323 3.0323 3.5248 3.5248 3.7403 3.7403 4.0205 4.0205 4.3303 4.3303 4.7027 4.7027 4.9822 4.9822 6.7602 6.7602 8.2429 8.2429 8.6218 8.6218 8.9580 8.9580 k = 0.1047-0.0000-0.0000 ( 5804 PWs) bands (ev): -8.8582 -8.8582 -7.9490 -7.9490 -7.1766 -7.1766 -6.9596 -6.9596 0.7109 0.7109 1.2198 1.2198 1.2577 1.2577 1.3581 1.3581 2.4701 2.4701 3.0336 3.0336 3.5267 3.5267 3.7084 3.7084 3.9975 3.9975 4.2844 4.2844 4.6304 4.6304 4.9398 4.9398 6.8294 6.8294 8.2810 8.2810 8.6396 8.6396 8.9463 8.9463 k = 0.1163-0.0000-0.0000 ( 5796 PWs) bands (ev): -8.8444 -8.8444 -7.9470 -7.9470 -7.1677 -7.1677 -6.9518 -6.9518 0.7404 0.7404 1.2110 1.2110 1.2640 1.2640 1.3657 1.3657 2.4796 2.4796 3.0282 3.0282 3.5234 3.5234 3.6726 3.6726 3.9742 3.9742 4.2424 4.2424 4.5538 4.5538 4.9054 4.9054 6.9010 6.9010 8.3154 8.3154 8.6504 8.6504 8.9340 8.9340 k = 0.1279-0.0000-0.0000 ( 5798 PWs) bands (ev): -8.8294 -8.8294 -7.9450 -7.9450 -7.1579 -7.1579 -6.9433 -6.9433 0.7729 0.7729 1.2021 1.2021 1.2710 1.2710 1.3746 1.3746 2.4895 2.4895 3.0144 3.0144 3.5062 3.5062 3.6420 3.6420 3.9487 3.9487 4.2073 4.2073 4.4764 4.4764 4.8785 4.8785 6.9740 6.9740 8.3449 8.3449 8.6530 8.6530 8.9213 8.9213 k = 0.1395-0.0000-0.0000 ( 5806 PWs) bands (ev): -8.8133 -8.8133 -7.9431 -7.9431 -7.1472 -7.1472 -6.9340 -6.9340 0.8083 0.8083 1.1936 1.1936 1.2786 1.2786 1.3848 1.3848 2.4995 2.4995 2.9911 2.9911 3.4667 3.4667 3.6252 3.6252 3.9191 3.9191 4.1818 4.1818 4.4015 4.4015 4.8580 4.8580 7.0479 7.0479 8.3690 8.3690 8.6471 8.6471 8.9083 8.9083 k = 0.1512-0.0000-0.0000 ( 5810 PWs) bands (ev): -8.7960 -8.7960 -7.9414 -7.9414 -7.1357 -7.1357 -6.9240 -6.9240 0.8465 0.8465 1.1857 1.1857 1.2869 1.2869 1.3963 1.3963 2.5087 2.5087 2.9579 2.9579 3.4089 3.4089 3.6165 3.6165 3.8869 3.8869 4.1673 4.1673 4.3318 4.3318 4.8430 4.8430 7.1222 7.1222 8.3872 8.3872 8.6331 8.6331 8.8949 8.8949 k = 0.1628-0.0000-0.0000 ( 5802 PWs) bands (ev): -8.7777 -8.7777 -7.9399 -7.9399 -7.1233 -7.1233 -6.9131 -6.9131 0.8875 0.8875 1.1787 1.1787 1.2957 1.2957 1.4092 1.4092 2.5161 2.5161 2.9154 2.9154 3.3409 3.3409 3.6029 3.6029 3.8588 3.8588 4.1627 4.1627 4.2692 4.2692 4.8323 4.8323 7.1963 7.1963 8.3993 8.3993 8.6119 8.6119 8.8815 8.8815 k = 0.1744-0.0000-0.0000 ( 5812 PWs) bands (ev): -8.7585 -8.7585 -7.9386 -7.9386 -7.1101 -7.1101 -6.9016 -6.9016 0.9310 0.9310 1.1729 1.1729 1.3052 1.3052 1.4234 1.4234 2.5197 2.5197 2.8659 2.8659 3.2671 3.2671 3.5737 3.5737 3.8437 3.8437 4.1654 4.1654 4.2151 4.2151 4.8254 4.8254 7.2698 7.2698 8.4053 8.4053 8.5849 8.5849 8.8681 8.8681 k = 0.1860-0.0000-0.0000 ( 5812 PWs) bands (ev): -8.7384 -8.7384 -7.9377 -7.9377 -7.0961 -7.0961 -6.8894 -6.8894 0.9768 0.9768 1.1685 1.1685 1.3154 1.3154 1.4390 1.4390 2.5161 2.5161 2.8135 2.8135 3.1900 3.1900 3.5263 3.5263 3.8447 3.8447 4.1596 4.1596 4.1832 4.1832 4.8213 4.8213 7.3424 7.3424 8.4056 8.4056 8.5535 8.5535 8.8550 8.8550 k = 0.1977-0.0000-0.0000 ( 5812 PWs) bands (ev): -8.7175 -8.7175 -7.9372 -7.9372 -7.0814 -7.0814 -6.8766 -6.8766 1.0246 1.0246 1.1658 1.1658 1.3262 1.3262 1.4558 1.4558 2.5004 2.5004 2.7639 2.7639 3.1113 3.1113 3.4657 3.4657 3.8576 3.8576 4.1231 4.1231 4.1937 4.1937 4.8196 4.8196 7.4138 7.4138 8.4003 8.4003 8.5193 8.5193 8.8422 8.8422 k = 0.2093-0.0000-0.0000 ( 5796 PWs) bands (ev): -8.6958 -8.6958 -7.9372 -7.9372 -7.0659 -7.0659 -6.8632 -6.8632 1.0736 1.0736 1.1654 1.1654 1.3379 1.3379 1.4739 1.4739 2.4673 2.4673 2.7218 2.7218 3.0338 3.0338 3.3980 3.3980 3.8766 3.8766 4.0897 4.0897 4.2112 4.2112 4.8197 4.8197 7.4837 7.4837 8.3900 8.3900 8.4839 8.4839 8.8298 8.8298 k = 0.2209-0.0000-0.0000 ( 5800 PWs) bands (ev): -8.6736 -8.6736 -7.9376 -7.9376 -7.0497 -7.0497 -6.8494 -6.8494 1.1210 1.1210 1.1697 1.1697 1.3503 1.3503 1.4931 1.4931 2.4159 2.4159 2.6856 2.6856 2.9626 2.9626 3.3269 3.3269 3.8969 3.8969 4.0627 4.0627 4.2317 4.2317 4.8212 4.8212 7.5520 7.5520 8.3751 8.3751 8.4488 8.4488 8.8180 8.8180 k = 0.2326-0.0000-0.0000 ( 5810 PWs) bands (ev): -8.6508 -8.6508 -7.9386 -7.9386 -7.0329 -7.0329 -6.8351 -6.8351 1.1520 1.1520 1.1931 1.1931 1.3638 1.3638 1.5134 1.5134 2.3512 2.3512 2.6447 2.6447 2.9058 2.9058 3.2549 3.2549 3.9135 3.9135 4.0443 4.0443 4.2544 4.2544 4.8238 4.8238 7.6183 7.6183 8.3558 8.3558 8.4154 8.4154 8.8066 8.8066 k = 0.2442-0.0000-0.0000 ( 5818 PWs) bands (ev): -8.6275 -8.6275 -7.9401 -7.9401 -7.0156 -7.0156 -6.8205 -6.8205 1.1618 1.1618 1.2394 1.2394 1.3785 1.3785 1.5343 1.5343 2.2798 2.2798 2.5883 2.5883 2.8705 2.8705 3.1830 3.1830 3.9202 3.9202 4.0383 4.0383 4.2785 4.2785 4.8271 4.8271 7.6825 7.6825 8.3328 8.3328 8.3850 8.3850 8.7957 8.7957 k = 0.2558-0.0000-0.0000 ( 5824 PWs) bands (ev): -8.6039 -8.6039 -7.9423 -7.9423 -6.9976 -6.9976 -6.8057 -6.8057 1.1686 1.1686 1.2893 1.2893 1.3951 1.3951 1.5555 1.5555 2.2069 2.2069 2.5155 2.5155 2.8551 2.8551 3.1120 3.1120 3.9140 3.9140 4.0464 4.0464 4.3034 4.3034 4.8309 4.8309 7.7444 7.7444 8.3072 8.3072 8.3577 8.3577 8.7853 8.7853 k = 0.2674-0.0000-0.0000 ( 5832 PWs) bands (ev): -8.5800 -8.5800 -7.9450 -7.9450 -6.9792 -6.9792 -6.7907 -6.7907 1.1760 1.1760 1.3366 1.3366 1.4149 1.4149 1.5756 1.5756 2.1371 2.1371 2.4325 2.4325 2.8523 2.8523 3.0425 3.0425 3.8984 3.8984 4.0638 4.0638 4.3286 4.3286 4.8349 4.8349 7.8040 7.8040 8.2807 8.2807 8.3331 8.3331 8.7754 8.7754 k = 0.2791-0.0000-0.0000 ( 5828 PWs) bands (ev): -8.5559 -8.5559 -7.9485 -7.9485 -6.9603 -6.9603 -6.7758 -6.7758 1.1845 1.1845 1.3771 1.3771 1.4403 1.4403 1.5925 1.5925 2.0746 2.0746 2.3454 2.3454 2.8552 2.8552 2.9756 2.9756 3.8779 3.8779 4.0851 4.0851 4.3536 4.3536 4.8390 4.8390 7.8611 7.8611 8.2549 8.2549 8.3108 8.3108 8.7657 8.7657 k = 0.2907-0.0000-0.0000 ( 5826 PWs) bands (ev): -8.5317 -8.5317 -7.9526 -7.9526 -6.9412 -6.9412 -6.7610 -6.7610 1.1941 1.1941 1.4082 1.4082 1.4727 1.4727 1.6022 1.6022 2.0245 2.0245 2.2592 2.2592 2.8547 2.8547 2.9171 2.9171 3.8550 3.8550 4.1073 4.1073 4.3781 4.3781 4.8430 4.8430 7.9156 7.9156 8.2307 8.2307 8.2906 8.2906 8.7564 8.7564 k = 0.3023-0.0000-0.0000 ( 5830 PWs) bands (ev): -8.5074 -8.5074 -7.9574 -7.9574 -6.9217 -6.9217 -6.7464 -6.7464 1.2045 1.2045 1.4324 1.4324 1.5084 1.5084 1.5995 1.5995 1.9900 1.9900 2.1793 2.1793 2.8213 2.8213 2.8944 2.8944 3.8308 3.8308 4.1286 4.1286 4.4016 4.4016 4.8467 4.8467 7.9673 7.9673 8.2087 8.2087 8.2724 8.2724 8.7473 8.7473 k = 0.3140-0.0000-0.0000 ( 5826 PWs) bands (ev): -8.4832 -8.4832 -7.9628 -7.9628 -6.9020 -6.9020 -6.7321 -6.7321 1.2150 1.2150 1.4533 1.4533 1.5427 1.5427 1.5818 1.5818 1.9646 1.9646 2.1185 2.1185 2.7623 2.7623 2.8991 2.8991 3.8059 3.8059 4.1482 4.1482 4.4240 4.4240 4.8500 4.8500 8.0160 8.0160 8.1890 8.1890 8.2566 8.2566 8.7382 8.7382 k = 0.3256-0.0000-0.0000 ( 5834 PWs) bands (ev): -8.4591 -8.4591 -7.9690 -7.9690 -6.8823 -6.8823 -6.7184 -6.7184 1.2247 1.2247 1.4724 1.4724 1.5519 1.5519 1.5735 1.5735 1.9253 1.9253 2.0991 2.0991 2.7001 2.7001 2.9082 2.9082 3.7807 3.7807 4.1651 4.1651 4.4454 4.4454 4.8527 4.8527 8.0613 8.0613 8.1718 8.1718 8.2433 8.2433 8.7292 8.7292 k = 0.3372-0.0000-0.0000 ( 5838 PWs) bands (ev): -8.4351 -8.4351 -7.9759 -7.9759 -6.8625 -6.8625 -6.7054 -6.7054 1.2320 1.2320 1.4852 1.4852 1.5222 1.5222 1.5987 1.5987 1.8677 1.8677 2.1220 2.1220 2.6383 2.6383 2.9175 2.9175 3.7559 3.7559 4.1786 4.1786 4.4657 4.4657 4.8546 4.8546 8.1021 8.1021 8.1572 8.1572 8.2332 8.2332 8.7200 8.7200 k = 0.3488-0.0000-0.0000 ( 5828 PWs) bands (ev): -8.4114 -8.4114 -7.9835 -7.9835 -6.8429 -6.8429 -6.6930 -6.6930 1.2346 1.2346 1.4671 1.4671 1.5231 1.5231 1.6165 1.6165 1.8096 1.8096 2.1677 2.1677 2.5777 2.5777 2.9260 2.9260 3.7318 3.7318 4.1878 4.1878 4.4854 4.4854 4.8555 4.8555 8.1306 8.1306 8.1509 8.1509 8.2278 8.2278 8.7106 8.7106 k = 0.3605-0.0000-0.0000 ( 5836 PWs) bands (ev): -8.3880 -8.3880 -7.9918 -7.9918 -6.8235 -6.8235 -6.6816 -6.6816 1.2297 1.2297 1.4373 1.4373 1.5395 1.5395 1.6223 1.6223 1.7654 1.7654 2.2249 2.2249 2.5184 2.5184 2.9332 2.9332 3.7093 3.7093 4.1919 4.1919 4.5048 4.5048 4.8554 4.8554 8.1270 8.1270 8.1664 8.1664 8.2326 8.2326 8.7008 8.7008 k = 0.3721-0.0000-0.0000 ( 5828 PWs) bands (ev): -8.3650 -8.3650 -8.0008 -8.0008 -6.8044 -6.8044 -6.6713 -6.6713 1.2154 1.2154 1.4109 1.4109 1.5533 1.5533 1.6158 1.6158 1.7455 1.7455 2.2880 2.2880 2.4607 2.4607 2.9388 2.9388 3.6890 3.6890 4.1903 4.1903 4.5241 4.5241 4.8542 4.8542 8.1172 8.1172 8.1719 8.1719 8.2524 8.2524 8.6904 8.6904 k = 0.3837-0.0000-0.0000 ( 5838 PWs) bands (ev): -8.3423 -8.3423 -8.0105 -8.0105 -6.7858 -6.7858 -6.6620 -6.6620 1.1930 1.1930 1.3850 1.3850 1.5546 1.5546 1.6160 1.6160 1.7447 1.7447 2.3532 2.3532 2.4052 2.4052 2.9425 2.9425 3.6719 3.6719 4.1826 4.1826 4.5438 4.5438 4.8516 4.8516 8.1078 8.1078 8.1671 8.1671 8.2805 8.2805 8.6794 8.6794 k = 0.3953-0.0000-0.0000 ( 5834 PWs) bands (ev): -8.3201 -8.3201 -8.0209 -8.0209 -6.7677 -6.7677 -6.6540 -6.6540 1.1663 1.1663 1.3535 1.3535 1.5499 1.5499 1.6320 1.6320 1.7515 1.7515 2.3486 2.3486 2.4219 2.4219 2.9441 2.9441 3.6587 3.6587 4.1683 4.1683 4.5639 4.5639 4.8476 4.8476 8.0990 8.0990 8.1575 8.1575 8.3101 8.3101 8.6677 8.6677 k = 0.4070-0.0000-0.0000 ( 5840 PWs) bands (ev): -8.2984 -8.2984 -8.0320 -8.0320 -6.7504 -6.7504 -6.6474 -6.6474 1.1387 1.1387 1.3150 1.3150 1.5527 1.5527 1.6543 1.6543 1.7602 1.7602 2.2962 2.2962 2.4871 2.4871 2.9437 2.9437 3.6505 3.6505 4.1477 4.1477 4.5845 4.5845 4.8421 4.8421 8.0909 8.0909 8.1453 8.1453 8.3393 8.3393 8.6555 8.6555 k = 0.4186-0.0000-0.0000 ( 5832 PWs) bands (ev): -8.2772 -8.2772 -8.0437 -8.0437 -6.7338 -6.7338 -6.6422 -6.6422 1.1129 1.1129 1.2730 1.2730 1.5639 1.5639 1.6785 1.6785 1.7687 1.7687 2.2450 2.2450 2.5501 2.5501 2.9411 2.9411 3.6481 3.6481 4.1209 4.1209 4.6054 4.6054 4.8352 4.8352 8.0833 8.0833 8.1315 8.1315 8.3673 8.3673 8.6426 8.6426 k = 0.4302-0.0000-0.0000 ( 5822 PWs) bands (ev): -8.2565 -8.2565 -8.0562 -8.0562 -6.7183 -6.7183 -6.6386 -6.6386 1.0904 1.0904 1.2310 1.2310 1.5806 1.5806 1.7020 1.7020 1.7774 1.7774 2.1956 2.1956 2.6094 2.6094 2.9362 2.9362 3.6525 3.6525 4.0884 4.0884 4.6265 4.6265 4.8267 4.8267 8.0764 8.0764 8.1171 8.1171 8.3940 8.3940 8.6290 8.6290 k = 0.4419-0.0000-0.0000 ( 5820 PWs) bands (ev): -8.2364 -8.2364 -8.0693 -8.0693 -6.7037 -6.7037 -6.6365 -6.6365 1.0723 1.0723 1.1914 1.1914 1.6005 1.6005 1.7214 1.7214 1.7888 1.7888 2.1478 2.1478 2.6640 2.6640 2.9290 2.9290 3.6642 3.6642 4.0509 4.0509 4.6476 4.6476 4.8167 4.8167 8.0703 8.0703 8.1031 8.1031 8.4194 8.4194 8.6147 8.6147 k = 0.4535-0.0000-0.0000 ( 5822 PWs) bands (ev): -8.2168 -8.2168 -8.0831 -8.0831 -6.6904 -6.6904 -6.6360 -6.6360 1.0591 1.0591 1.1555 1.1555 1.6219 1.6219 1.7322 1.7322 1.8071 1.8071 2.1018 2.1018 2.7129 2.7129 2.9194 2.9194 3.6834 3.6834 4.0093 4.0093 4.6684 4.6684 4.8052 4.8052 8.0651 8.0651 8.0902 8.0902 8.4436 8.4436 8.5995 8.5995 k = 0.4651-0.0000-0.0000 ( 5840 PWs) bands (ev): -8.1979 -8.1979 -8.0975 -8.0975 -6.6783 -6.6783 -6.6372 -6.6372 1.0513 1.0513 1.1242 1.1242 1.6436 1.6436 1.7333 1.7333 1.8331 1.8331 2.0575 2.0575 2.7560 2.7560 2.9071 2.9071 3.7101 3.7101 3.9647 3.9647 4.6888 4.6888 4.7923 4.7923 8.0612 8.0612 8.0792 8.0792 8.4666 8.4666 8.5834 8.5834 k = 0.4767-0.0000-0.0000 ( 5848 PWs) bands (ev): -8.1796 -8.1796 -8.1126 -8.1126 -6.6676 -6.6676 -6.6401 -6.6401 1.0491 1.0491 1.0980 1.0980 1.6647 1.6647 1.7274 1.7274 1.8643 1.8643 2.0150 2.0150 2.7932 2.7932 2.8920 2.8920 3.7434 3.7434 3.9183 3.9183 4.7086 4.7086 4.7780 4.7780 8.0589 8.0589 8.0704 8.0704 8.4886 8.4886 8.5664 8.5664 k = 0.4884-0.0000-0.0000 ( 5836 PWs) bands (ev): -8.1619 -8.1619 -8.1284 -8.1284 -6.6584 -6.6584 -6.6446 -6.6446 1.0527 1.0527 1.0772 1.0772 1.6843 1.6843 1.7165 1.7165 1.8987 1.8987 1.9743 1.9743 2.8248 2.8248 2.8735 2.8735 3.7824 3.7824 3.8714 3.8714 4.7275 4.7275 4.7623 4.7623 8.0584 8.0584 8.0639 8.0639 8.5095 8.5095 8.5484 8.5484 k = 0.5000-0.0000-0.0000 ( 5840 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6507 -6.6507 -6.6507 -6.6507 1.0621 1.0621 1.0621 1.0621 1.7018 1.7018 1.7018 1.7018 1.9355 1.9355 1.9355 1.9355 2.8513 2.8513 2.8513 2.8513 3.8255 3.8255 3.8255 3.8255 4.7455 4.7455 4.7455 4.7455 8.0600 8.0600 8.0600 8.0600 8.5294 8.5294 8.5294 8.5294 k = 0.5000-0.0000-0.0000 ( 5840 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6507 -6.6507 -6.6507 -6.6507 1.0621 1.0621 1.0621 1.0621 1.7018 1.7018 1.7018 1.7018 1.9355 1.9355 1.9355 1.9355 2.8513 2.8513 2.8513 2.8513 3.8255 3.8255 3.8255 3.8255 4.7455 4.7455 4.7455 4.7455 8.0600 8.0600 8.0600 8.0600 8.5294 8.5294 8.5294 8.5294 k = 0.5000 0.0116-0.0000 ( 5830 PWs) bands (ev): -8.1445 -8.1445 -8.1435 -8.1435 -6.6504 -6.6504 -6.6503 -6.6503 1.0616 1.0616 1.0623 1.0623 1.6998 1.6998 1.7037 1.7037 1.9320 1.9320 1.9333 1.9333 2.8502 2.8502 2.8528 2.8528 3.8275 3.8275 3.8305 3.8305 4.7410 4.7410 4.7436 4.7436 8.0583 8.0583 8.0601 8.0601 8.5308 8.5308 8.5311 8.5311 k = 0.5000 0.0232-0.0000 ( 5834 PWs) bands (ev): -8.1425 -8.1425 -8.1404 -8.1404 -6.6495 -6.6495 -6.6494 -6.6494 1.0609 1.0609 1.0623 1.0623 1.6974 1.6974 1.7054 1.7054 1.9231 1.9231 1.9253 1.9253 2.8492 2.8492 2.8544 2.8544 3.8362 3.8362 3.8423 3.8423 4.7303 4.7303 4.7355 4.7355 8.0552 8.0552 8.0586 8.0586 8.5352 8.5352 8.5357 8.5357 k = 0.5000 0.0348-0.0000 ( 5822 PWs) bands (ev): -8.1389 -8.1389 -8.1357 -8.1357 -6.6480 -6.6480 -6.6478 -6.6478 1.0599 1.0599 1.0620 1.0620 1.6943 1.6943 1.7069 1.7069 1.9096 1.9096 1.9121 1.9121 2.8486 2.8486 2.8563 2.8563 3.8514 3.8514 3.8605 3.8605 4.7134 4.7134 4.7213 4.7213 8.0508 8.0508 8.0556 8.0556 8.5426 8.5426 8.5427 8.5427 k = 0.5000 0.0464-0.0000 ( 5818 PWs) bands (ev): -8.1336 -8.1336 -8.1294 -8.1294 -6.6459 -6.6459 -6.6457 -6.6457 1.0585 1.0585 1.0613 1.0613 1.6900 1.6900 1.7078 1.7078 1.8929 1.8929 1.8946 1.8946 2.8481 2.8481 2.8582 2.8582 3.8724 3.8724 3.8844 3.8844 4.6906 4.6906 4.7013 4.7013 8.0452 8.0452 8.0511 8.0511 8.5515 8.5515 8.5526 8.5526 k = 0.5000 0.0580-0.0000 ( 5814 PWs) bands (ev): -8.1267 -8.1267 -8.1215 -8.1215 -6.6433 -6.6433 -6.6429 -6.6429 1.0566 1.0566 1.0599 1.0599 1.6835 1.6835 1.7077 1.7077 1.8741 1.8741 1.8747 1.8747 2.8477 2.8477 2.8603 2.8603 3.8984 3.8984 3.9132 3.9132 4.6621 4.6621 4.6759 4.6759 8.0385 8.0385 8.0452 8.0452 8.5610 8.5610 8.5646 8.5646 k = 0.5000 0.0696-0.0000 ( 5814 PWs) bands (ev): -8.1182 -8.1182 -8.1120 -8.1120 -6.6400 -6.6400 -6.6396 -6.6396 1.0540 1.0540 1.0576 1.0576 1.6739 1.6739 1.7053 1.7053 1.8528 1.8528 1.8569 1.8569 2.8474 2.8474 2.8624 2.8624 3.9283 3.9283 3.9462 3.9462 4.6283 4.6283 4.6455 4.6455 8.0309 8.0309 8.0380 8.0380 8.5691 8.5691 8.5774 8.5774 k = 0.5000 0.0812-0.0000 ( 5818 PWs) bands (ev): -8.1082 -8.1082 -8.1011 -8.1011 -6.6362 -6.6362 -6.6357 -6.6357 1.0504 1.0504 1.0543 1.0543 1.6600 1.6600 1.6988 1.6988 1.8334 1.8334 1.8419 1.8419 2.8472 2.8472 2.8645 2.8645 3.9613 3.9613 3.9822 3.9822 4.5897 4.5897 4.6108 4.6108 8.0224 8.0224 8.0296 8.0296 8.5721 8.5721 8.5889 8.5889 k = 0.5000 0.0928-0.0000 ( 5818 PWs) bands (ev): -8.0967 -8.0967 -8.0886 -8.0886 -6.6319 -6.6319 -6.6313 -6.6313 1.0455 1.0455 1.0493 1.0493 1.6415 1.6415 1.6863 1.6863 1.8191 1.8191 1.8311 1.8311 2.8470 2.8470 2.8666 2.8666 3.9959 3.9959 4.0203 4.0203 4.5468 4.5468 4.5723 4.5723 8.0131 8.0131 8.0201 8.0201 8.5634 8.5634 8.5945 8.5945 k = 0.5000 0.1044-0.0000 ( 5814 PWs) bands (ev): -8.0838 -8.0838 -8.0748 -8.0748 -6.6270 -6.6270 -6.6264 -6.6264 1.0390 1.0390 1.0424 1.0424 1.6189 1.6189 1.6670 1.6670 1.8118 1.8118 1.8251 1.8251 2.8468 2.8468 2.8687 2.8687 4.0309 4.0309 4.0594 4.0594 4.5001 4.5001 4.5309 4.5309 8.0030 8.0030 8.0097 8.0097 8.5347 8.5347 8.5851 8.5851 k = 0.5000 0.1161-0.0000 ( 5810 PWs) bands (ev): -8.0695 -8.0695 -8.0597 -8.0597 -6.6217 -6.6217 -6.6210 -6.6210 1.0303 1.0303 1.0331 1.0331 1.5937 1.5937 1.6426 1.6426 1.8109 1.8109 1.8237 1.8237 2.8466 2.8466 2.8707 2.8707 4.0647 4.0647 4.0984 4.0984 4.4503 4.4503 4.4878 4.4878 7.9920 7.9920 7.9982 7.9982 8.4835 8.4835 8.5499 8.5499 k = 0.5000 0.1277-0.0000 ( 5814 PWs) bands (ev): -8.0540 -8.0540 -8.0434 -8.0434 -6.6159 -6.6159 -6.6152 -6.6152 1.0192 1.0192 1.0207 1.0207 1.5678 1.5678 1.6156 1.6156 1.8149 1.8149 1.8261 1.8261 2.8463 2.8463 2.8726 2.8726 4.0952 4.0952 4.1361 4.1361 4.3982 4.3982 4.4446 4.4446 7.9797 7.9797 7.9857 7.9857 8.4155 8.4155 8.4895 8.4895 k = 0.5000 0.1393-0.0000 ( 5820 PWs) bands (ev): -8.0372 -8.0372 -8.0260 -8.0260 -6.6098 -6.6098 -6.6090 -6.6090 1.0049 1.0049 1.0050 1.0050 1.5429 1.5429 1.5885 1.5885 1.8224 1.8224 1.8315 1.8315 2.8459 2.8459 2.8745 2.8745 4.1194 4.1194 4.1706 4.1706 4.3452 4.3452 4.4038 4.4038 7.9658 7.9658 7.9720 7.9720 8.3387 8.3387 8.4142 8.4142 k = 0.5000 0.1509-0.0000 ( 5820 PWs) bands (ev): -8.0194 -8.0194 -8.0075 -8.0075 -6.6032 -6.6032 -6.6024 -6.6024 0.9852 0.9852 0.9874 0.9874 1.5203 1.5203 1.5629 1.5629 1.8325 1.8325 1.8396 1.8396 2.8454 2.8454 2.8763 2.8763 4.1328 4.1328 4.1971 4.1971 4.2959 4.2959 4.3695 4.3695 7.9493 7.9493 7.9568 7.9568 8.2589 8.2589 8.3325 8.3325 k = 0.5000 0.1625-0.0000 ( 5824 PWs) bands (ev): -8.0006 -8.0006 -7.9881 -7.9881 -6.5963 -6.5963 -6.5954 -6.5954 0.9616 0.9616 0.9663 0.9663 1.5009 1.5009 1.5401 1.5401 1.8450 1.8450 1.8500 1.8500 2.8448 2.8448 2.8780 2.8780 4.1297 4.1297 4.1937 4.1937 4.2717 4.2717 4.3472 4.3472 7.9288 7.9288 7.9395 7.9395 8.1811 8.1811 8.2497 8.2497 k = 0.5000 0.1741-0.0000 ( 5826 PWs) bands (ev): -7.9809 -7.9809 -7.9678 -7.9678 -6.5890 -6.5890 -6.5881 -6.5881 0.9340 0.9340 0.9415 0.9415 1.4852 1.4852 1.5206 1.5206 1.8593 1.8593 1.8624 1.8624 2.8440 2.8440 2.8796 2.8796 4.1078 4.1078 4.1493 4.1493 4.2836 4.2836 4.3387 4.3387 7.9013 7.9013 7.9190 7.9190 8.1103 8.1103 8.1695 8.1695 k = 0.5000 0.1857-0.0000 ( 5828 PWs) bands (ev): -7.9605 -7.9605 -7.9469 -7.9469 -6.5815 -6.5815 -6.5806 -6.5806 0.9030 0.9030 0.9133 0.9133 1.4733 1.4733 1.5047 1.5047 1.8756 1.8756 1.8767 1.8767 2.8431 2.8431 2.8811 2.8811 4.0713 4.0713 4.0933 4.0933 4.3017 4.3017 4.3396 4.3396 7.8633 7.8633 7.8933 7.8933 8.0516 8.0516 8.0958 8.0958 k = 0.5000 0.1973-0.0000 ( 5824 PWs) bands (ev): -7.9394 -7.9394 -7.9254 -7.9254 -6.5739 -6.5739 -6.5729 -6.5729 0.8690 0.8690 0.8819 0.8819 1.4650 1.4650 1.4925 1.4925 1.8929 1.8929 1.8937 1.8937 2.8419 2.8419 2.8825 2.8825 4.0263 4.0263 4.0349 4.0349 4.3166 4.3166 4.3436 4.3436 7.8133 7.8133 7.8595 7.8595 8.0078 8.0078 8.0329 8.0329 k = 0.5000 0.2089-0.0000 ( 5836 PWs) bands (ev): -7.9177 -7.9177 -7.9035 -7.9035 -6.5660 -6.5660 -6.5650 -6.5650 0.8327 0.8327 0.8480 0.8480 1.4599 1.4599 1.4837 1.4837 1.9109 1.9109 1.9135 1.9135 2.8405 2.8405 2.8836 2.8836 3.9761 3.9761 3.9772 3.9772 4.3263 4.3263 4.3461 4.3461 7.7550 7.7550 7.8155 7.8155 7.9761 7.9761 7.9839 7.9839 k = 0.5000 0.2205-0.0000 ( 5828 PWs) bands (ev): -7.8957 -7.8957 -7.8813 -7.8813 -6.5580 -6.5580 -6.5570 -6.5570 0.7948 0.7948 0.8122 0.8122 1.4575 1.4575 1.4780 1.4780 1.9307 1.9307 1.9352 1.9352 2.8387 2.8387 2.8846 2.8846 3.9178 3.9178 3.9263 3.9263 4.3297 4.3297 4.3446 4.3446 7.6943 7.6943 7.7636 7.7636 7.9474 7.9474 7.9516 7.9516 k = 0.5000 0.2321-0.0000 ( 5824 PWs) bands (ev): -7.8734 -7.8734 -7.8589 -7.8589 -6.5500 -6.5500 -6.5490 -6.5490 0.7560 0.7560 0.7749 0.7749 1.4574 1.4574 1.4748 1.4748 1.9523 1.9523 1.9587 1.9587 2.8366 2.8366 2.8854 2.8854 3.8604 3.8604 3.8751 3.8751 4.3263 4.3263 4.3379 4.3379 7.6351 7.6351 7.7087 7.7087 7.9190 7.9190 7.9307 7.9307 k = 0.5000 0.2437-0.0000 ( 5830 PWs) bands (ev): -7.8511 -7.8511 -7.8365 -7.8365 -6.5419 -6.5419 -6.5409 -6.5409 0.7167 0.7167 0.7370 0.7370 1.4592 1.4592 1.4738 1.4738 1.9757 1.9757 1.9840 1.9840 2.8342 2.8342 2.8860 2.8860 3.8044 3.8044 3.8244 3.8244 4.3161 4.3161 4.3250 4.3250 7.5800 7.5800 7.6553 7.6553 7.8948 7.8948 7.9116 7.9116 k = 0.5000 0.2553-0.0000 ( 5842 PWs) bands (ev): -7.8287 -7.8287 -7.8142 -7.8142 -6.5339 -6.5339 -6.5329 -6.5329 0.6777 0.6777 0.6988 0.6988 1.4624 1.4624 1.4745 1.4745 2.0009 2.0009 2.0112 2.0112 2.8312 2.8312 2.8863 2.8863 3.7501 3.7501 3.7750 3.7750 4.2989 4.2989 4.3058 4.3058 7.5302 7.5302 7.6059 7.6059 7.8727 7.8727 7.8932 7.8932 k = 0.5000 0.2669-0.0000 ( 5842 PWs) bands (ev): -7.8066 -7.8066 -7.7923 -7.7923 -6.5260 -6.5260 -6.5250 -6.5250 0.6393 0.6393 0.6608 0.6608 1.4666 1.4666 1.4765 1.4765 2.0278 2.0278 2.0402 2.0402 2.8278 2.8278 2.8863 2.8863 3.6978 3.6978 3.7272 3.7272 4.2749 4.2749 4.2802 4.2802 7.4865 7.4865 7.5617 7.5617 7.8515 7.8515 7.8750 7.8750 k = 0.5000 0.2785-0.0000 ( 5834 PWs) bands (ev): -7.7848 -7.7848 -7.7707 -7.7707 -6.5182 -6.5182 -6.5172 -6.5172 0.6019 0.6019 0.6235 0.6235 1.4716 1.4716 1.4796 1.4796 2.0565 2.0565 2.0711 2.0711 2.8239 2.8239 2.8860 2.8860 3.6476 3.6476 3.6814 3.6814 4.2446 4.2446 4.2485 4.2485 7.4491 7.4491 7.5232 7.5232 7.8305 7.8305 7.8565 7.8565 k = 0.5000 0.2901-0.0000 ( 5834 PWs) bands (ev): -7.7634 -7.7634 -7.7497 -7.7497 -6.5106 -6.5106 -6.5097 -6.5097 0.5658 0.5658 0.5873 0.5873 1.4772 1.4772 1.4835 1.4835 2.0868 2.0868 2.1038 2.1038 2.8193 2.8193 2.8854 2.8854 3.5998 3.5998 3.6379 3.6379 4.2086 4.2086 4.2112 4.2112 7.4180 7.4180 7.4907 7.4907 7.8096 7.8096 7.8377 7.8377 k = 0.5000 0.3017-0.0000 ( 5834 PWs) bands (ev): -7.7427 -7.7427 -7.7295 -7.7295 -6.5032 -6.5032 -6.5024 -6.5024 0.5313 0.5313 0.5524 0.5524 1.4831 1.4831 1.4879 1.4879 2.1187 2.1187 2.1382 2.1382 2.8142 2.8142 2.8845 2.8845 3.5545 3.5545 3.5968 3.5968 4.1676 4.1676 4.1690 4.1690 7.3930 7.3930 7.4641 7.4641 7.7885 7.7885 7.8185 7.8185 k = 0.5000 0.3133-0.0000 ( 5826 PWs) bands (ev): -7.7228 -7.7228 -7.7101 -7.7101 -6.4962 -6.4962 -6.4954 -6.4954 0.4987 0.4987 0.5191 0.5191 1.4890 1.4890 1.4926 1.4926 2.1520 2.1520 2.1744 2.1744 2.8084 2.8084 2.8831 2.8831 3.5117 3.5117 3.5583 3.5583 4.1226 4.1226 4.1227 4.1227 7.3737 7.3737 7.4430 7.4430 7.7672 7.7672 7.7989 7.7989 k = 0.5000 0.3249-0.0000 ( 5830 PWs) bands (ev): -7.7037 -7.7037 -7.6917 -7.6917 -6.4895 -6.4895 -6.4887 -6.4887 0.4682 0.4682 0.4877 0.4877 1.4949 1.4949 1.4974 1.4974 2.1867 2.1867 2.2120 2.2120 2.8020 2.8020 2.8814 2.8814 3.4716 3.4716 3.5222 3.5222 4.0734 4.0734 4.0745 4.0745 7.3598 7.3598 7.4271 7.4271 7.7458 7.7458 7.7788 7.7788 k = 0.5000 0.3365-0.0000 ( 5834 PWs) bands (ev): -7.6858 -7.6858 -7.6745 -7.6745 -6.4832 -6.4832 -6.4825 -6.4825 0.4399 0.4399 0.4582 0.4582 1.5007 1.5007 1.5023 1.5023 2.2225 2.2225 2.2510 2.2510 2.7951 2.7951 2.8793 2.8793 3.4342 3.4342 3.4887 3.4887 4.0221 4.0221 4.0245 4.0245 7.3507 7.3507 7.4157 7.4157 7.7243 7.7243 7.7585 7.7585 k = 0.5000 0.3482-0.0000 ( 5838 PWs) bands (ev): -7.6690 -7.6690 -7.6586 -7.6586 -6.4774 -6.4774 -6.4767 -6.4767 0.4140 0.4140 0.4310 0.4310 1.5061 1.5061 1.5070 1.5070 2.2591 2.2591 2.2911 2.2911 2.7877 2.7877 2.8767 2.8767 3.3994 3.3994 3.4576 3.4576 3.9700 3.9700 3.9738 3.9738 7.3460 7.3460 7.4085 7.4085 7.7029 7.7029 7.7379 7.7379 k = 0.5000 0.3598-0.0000 ( 5842 PWs) bands (ev): -7.6535 -7.6535 -7.6440 -7.6440 -6.4720 -6.4720 -6.4714 -6.4714 0.3907 0.3907 0.4062 0.4062 1.5112 1.5112 1.5115 1.5115 2.2961 2.2961 2.3317 2.3317 2.7800 2.7800 2.8734 2.8734 3.3675 3.3675 3.4286 3.4286 3.9184 3.9184 3.9236 3.9236 7.3450 7.3450 7.4047 7.4047 7.6818 7.6818 7.7173 7.7173 k = 0.5000 0.3714-0.0000 ( 5832 PWs) bands (ev): -7.6395 -7.6395 -7.6310 -7.6310 -6.4672 -6.4672 -6.4666 -6.4666 0.3699 0.3699 0.3838 0.3838 1.5156 1.5156 1.5157 1.5157 2.3332 2.3332 2.3724 2.3724 2.7722 2.7722 2.8692 2.8692 3.3384 3.3384 3.4016 3.4016 3.8688 3.8688 3.8753 3.8753 7.3473 7.3473 7.4037 7.4037 7.6614 7.6614 7.6969 7.6969 k = 0.5000 0.3830-0.0000 ( 5840 PWs) bands (ev): -7.6270 -7.6270 -7.6196 -7.6196 -6.4629 -6.4629 -6.4624 -6.4624 0.3519 0.3519 0.3641 0.3641 1.5194 1.5194 1.5198 1.5198 2.3697 2.3697 2.4121 2.4121 2.7647 2.7647 2.8637 2.8637 3.3127 3.3127 3.3762 3.3762 3.8224 3.8224 3.8300 3.8300 7.3523 7.3523 7.4049 7.4049 7.6421 7.6421 7.6768 7.6768 k = 0.5000 0.3946-0.0000 ( 5840 PWs) bands (ev): -7.6162 -7.6162 -7.6099 -7.6099 -6.4592 -6.4592 -6.4588 -6.4588 0.3367 0.3367 0.3470 0.3470 1.5227 1.5227 1.5232 1.5232 2.4051 2.4051 2.4498 2.4498 2.7581 2.7581 2.8566 2.8566 3.2907 3.2907 3.3522 3.3522 3.7809 3.7809 3.7891 3.7891 7.3595 7.3595 7.4074 7.4074 7.6244 7.6244 7.6575 7.6575 k = 0.5000 0.4062-0.0000 ( 5840 PWs) bands (ev): -7.6071 -7.6071 -7.6020 -7.6020 -6.4562 -6.4562 -6.4558 -6.4558 0.3244 0.3244 0.3328 0.3328 1.5255 1.5255 1.5261 1.5261 2.4385 2.4385 2.4835 2.4835 2.7537 2.7537 2.8471 2.8471 3.2731 3.2731 3.3295 3.3295 3.7454 3.7454 3.7535 3.7535 7.3684 7.3684 7.4103 7.4103 7.6091 7.6091 7.6393 7.6393 k = 0.5000 0.4178-0.0000 ( 5844 PWs) bands (ev): -7.5998 -7.5998 -7.5959 -7.5959 -6.4537 -6.4537 -6.4535 -6.4535 0.3151 0.3151 0.3214 0.3214 1.5278 1.5278 1.5283 1.5283 2.4690 2.4690 2.5107 2.5107 2.7530 2.7530 2.8348 2.8348 3.2610 3.2610 3.3084 3.3084 3.7172 3.7172 3.7244 3.7244 7.3781 7.3781 7.4125 7.4125 7.5971 7.5971 7.6226 7.6226 k = 0.5000 0.4294-0.0000 ( 5852 PWs) bands (ev): -7.5943 -7.5943 -7.5917 -7.5917 -6.4520 -6.4520 -6.4518 -6.4518 0.3086 0.3086 0.3129 0.3129 1.5294 1.5294 1.5298 1.5298 2.4955 2.4955 2.5285 2.5285 2.7577 2.7577 2.8197 2.8197 3.2548 3.2548 3.2893 3.2893 3.6971 3.6971 3.7025 3.7025 7.3881 7.3881 7.4129 7.4129 7.5893 7.5893 7.6082 7.6082 k = 0.5000 0.4410-0.0000 ( 5852 PWs) bands (ev): -7.5907 -7.5907 -7.5894 -7.5894 -6.4509 -6.4509 -6.4508 -6.4508 0.3052 0.3052 0.3073 0.3073 1.5305 1.5305 1.5307 1.5307 2.5166 2.5166 2.5351 2.5351 2.7686 2.7686 2.8023 2.8023 3.2551 3.2551 3.2733 3.2733 3.6855 3.6855 3.6884 3.6884 7.3975 7.3975 7.4105 7.4105 7.5867 7.5867 7.5968 7.5968 k = 0.5000 0.4526-0.0000 ( 5836 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3048 0.3048 0.3048 0.3048 1.5309 1.5309 1.5309 1.5309 2.5305 2.5305 2.5305 2.5305 2.7844 2.7844 2.7844 2.7844 3.2615 3.2615 3.2615 3.2615 3.6827 3.6827 3.6827 3.6827 7.4053 7.4053 7.4053 7.4053 7.5893 7.5893 7.5893 7.5893 k = 0.5000 0.4526-0.0000 ( 5836 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3048 0.3048 0.3048 0.3048 1.5309 1.5309 1.5309 1.5309 2.5305 2.5305 2.5305 2.5305 2.7844 2.7844 2.7844 2.7844 3.2615 3.2615 3.2615 3.2615 3.6827 3.6827 3.6827 3.6827 7.4053 7.4053 7.4053 7.4053 7.5893 7.5893 7.5893 7.5893 k = 0.4884 0.4526-0.0000 ( 5848 PWs) bands (ev): -7.5904 -7.5904 -7.5887 -7.5887 -6.4514 -6.4514 -6.4513 -6.4513 0.3057 0.3057 0.3068 0.3068 1.5283 1.5283 1.5372 1.5372 2.5158 2.5158 2.5359 2.5359 2.7655 2.7655 2.8023 2.8023 3.2570 3.2570 3.2704 3.2704 3.6814 3.6814 3.6845 3.6845 7.3964 7.3964 7.4013 7.4013 7.5931 7.5931 7.6007 7.6007 k = 0.4767 0.4526-0.0000 ( 5856 PWs) bands (ev): -7.5924 -7.5924 -7.5890 -7.5890 -6.4539 -6.4539 -6.4536 -6.4536 0.3094 0.3094 0.3116 0.3116 1.5292 1.5292 1.5472 1.5472 2.4942 2.4942 2.5298 2.5298 2.7486 2.7486 2.8162 2.8162 3.2576 3.2576 3.2826 3.2826 3.6808 3.6808 3.6867 3.6867 7.3785 7.3785 7.3865 7.3865 7.6100 7.6100 7.6231 7.6231 k = 0.4651 0.4526-0.0000 ( 5852 PWs) bands (ev): -7.5953 -7.5953 -7.5902 -7.5902 -6.4580 -6.4580 -6.4576 -6.4576 0.3161 0.3161 0.3193 0.3193 1.5335 1.5335 1.5608 1.5608 2.4679 2.4679 2.5115 2.5115 2.7352 2.7352 2.8236 2.8236 3.2639 3.2639 3.2974 3.2974 3.6807 3.6807 3.6892 3.6892 7.3568 7.3568 7.3662 7.3662 7.6345 7.6345 7.6513 7.6513 k = 0.4535 0.4526-0.0000 ( 5844 PWs) bands (ev): -7.5989 -7.5989 -7.5922 -7.5922 -6.4637 -6.4637 -6.4631 -6.4631 0.3255 0.3255 0.3296 0.3296 1.5411 1.5411 1.5782 1.5782 2.4385 2.4385 2.4826 2.4826 2.7245 2.7245 2.8236 2.8236 3.2757 3.2757 3.3142 3.3142 3.6812 3.6812 3.6917 3.6917 7.3347 7.3347 7.3448 7.3448 7.6618 7.6618 7.6815 7.6815 k = 0.4419 0.4526-0.0000 ( 5840 PWs) bands (ev): -7.6033 -7.6033 -7.5950 -7.5950 -6.4708 -6.4708 -6.4701 -6.4701 0.3376 0.3376 0.3424 0.3424 1.5517 1.5517 1.5993 1.5993 2.4075 2.4075 2.4458 2.4458 2.7145 2.7145 2.8161 2.8161 3.2922 3.2922 3.3322 3.3322 3.6821 3.6821 3.6942 3.6942 7.3143 7.3143 7.3247 7.3247 7.6893 7.6893 7.7110 7.7110 k = 0.4302 0.4526-0.0000 ( 5840 PWs) bands (ev): -7.6085 -7.6085 -7.5987 -7.5987 -6.4793 -6.4793 -6.4785 -6.4785 0.3522 0.3522 0.3575 0.3575 1.5649 1.5649 1.6239 1.6239 2.3761 2.3761 2.4040 2.4040 2.7036 2.7036 2.8021 2.8021 3.3116 3.3116 3.3507 3.3507 3.6834 3.6834 3.6966 3.6966 7.2968 7.2968 7.3073 7.3073 7.7151 7.7151 7.7384 7.7385 k = 0.4186 0.4526-0.0000 ( 5828 PWs) bands (ev): -7.6145 -7.6145 -7.6032 -7.6032 -6.4891 -6.4891 -6.4882 -6.4882 0.3692 0.3692 0.3748 0.3748 1.5802 1.5802 1.6519 1.6519 2.3456 2.3456 2.3591 2.3591 2.6906 2.6906 2.7827 2.7827 3.3322 3.3322 3.3688 3.3688 3.6852 3.6852 3.6989 3.6989 7.2829 7.2829 7.2936 7.2936 7.7380 7.7380 7.7627 7.7627 k = 0.4070 0.4526-0.0000 ( 5826 PWs) bands (ev): -7.6213 -7.6213 -7.6085 -7.6085 -6.5001 -6.5001 -6.4991 -6.4991 0.3885 0.3885 0.3941 0.3941 1.5968 1.5968 1.6829 1.6829 2.3129 2.3129 2.3172 2.3172 2.6754 2.6754 2.7593 2.7593 3.3522 3.3522 3.3857 3.3857 3.6876 3.6876 3.7014 3.7014 7.2729 7.2729 7.2839 7.2839 7.7574 7.7574 7.7830 7.7830 k = 0.3953 0.4526-0.0000 ( 5830 PWs) bands (ev): -7.6288 -7.6288 -7.6147 -7.6147 -6.5122 -6.5122 -6.5110 -6.5110 0.4098 0.4098 0.4151 0.4151 1.6138 1.6138 1.7165 1.7165 2.2666 2.2666 2.2923 2.2923 2.6579 2.6579 2.7330 2.7330 3.3699 3.3699 3.4004 3.4004 3.6908 3.6908 3.7041 3.7041 7.2671 7.2671 7.2785 7.2785 7.7730 7.7730 7.7992 7.7992 k = 0.3837 0.4526-0.0000 ( 5826 PWs) bands (ev): -7.6371 -7.6371 -7.6217 -7.6217 -6.5252 -6.5252 -6.5240 -6.5240 0.4329 0.4329 0.4376 0.4376 1.6298 1.6298 1.7516 1.7516 2.2218 2.2218 2.2724 2.2724 2.6387 2.6387 2.7050 2.7050 3.3841 3.3841 3.4119 3.4119 3.6952 3.6952 3.7074 3.7074 7.2656 7.2656 7.2774 7.2774 7.7849 7.7849 7.8114 7.8114 k = 0.3721 0.4526-0.0000 ( 5830 PWs) bands (ev): -7.6461 -7.6461 -7.6296 -7.6296 -6.5390 -6.5390 -6.5377 -6.5377 0.4577 0.4577 0.4615 0.4615 1.6432 1.6432 1.7865 1.7865 2.1802 2.1802 2.2590 2.2590 2.6181 2.6181 2.6763 2.6763 3.3937 3.3937 3.4194 3.4194 3.7008 3.7008 3.7115 3.7115 7.2683 7.2683 7.2806 7.2806 7.7932 7.7932 7.8198 7.8198 k = 0.3605 0.4526-0.0000 ( 5838 PWs) bands (ev): -7.6559 -7.6559 -7.6383 -7.6383 -6.5535 -6.5535 -6.5522 -6.5522 0.4840 0.4840 0.4865 0.4865 1.6525 1.6525 1.8183 1.8183 2.1448 2.1448 2.2534 2.2534 2.5970 2.5970 2.6479 2.6479 3.3983 3.3983 3.4226 3.4226 3.7079 3.7079 3.7162 3.7162 7.2751 7.2751 7.2879 7.2879 7.7984 7.7984 7.8251 7.8251 k = 0.3488 0.4526-0.0000 ( 5834 PWs) bands (ev): -7.6663 -7.6663 -7.6478 -7.6478 -6.5685 -6.5685 -6.5672 -6.5672 0.5117 0.5117 0.5126 0.5126 1.6562 1.6562 1.8415 1.8415 2.1206 2.1206 2.2563 2.2563 2.5761 2.5761 2.6213 2.6213 3.3977 3.3977 3.4213 3.4213 3.7160 3.7160 3.7213 3.7213 7.2858 7.2858 7.2992 7.2992 7.8012 7.8012 7.8279 7.8279 k = 0.3372 0.4526-0.0000 ( 5822 PWs) bands (ev): -7.6775 -7.6775 -7.6581 -7.6581 -6.5839 -6.5839 -6.5826 -6.5826 0.5395 0.5395 0.5405 0.5405 1.6537 1.6537 1.8495 1.8495 2.1136 2.1136 2.2670 2.2670 2.5566 2.5566 2.5982 2.5982 3.3923 3.3923 3.4160 3.4160 3.7249 3.7249 3.7263 3.7263 7.3001 7.3001 7.3140 7.3140 7.8021 7.8021 7.8289 7.8289 k = 0.3256 0.4526-0.0000 ( 5834 PWs) bands (ev): -7.6893 -7.6893 -7.6692 -7.6692 -6.5995 -6.5995 -6.5983 -6.5983 0.5672 0.5672 0.5705 0.5705 1.6450 1.6450 1.8390 1.8390 2.1254 2.1254 2.2827 2.2827 2.5401 2.5401 2.5815 2.5815 3.3827 3.3827 3.4072 3.4072 3.7303 3.7303 3.7339 3.7339 7.3178 7.3178 7.3322 7.3322 7.8020 7.8020 7.8290 7.8290 k = 0.3140 0.4526-0.0000 ( 5842 PWs) bands (ev): -7.7016 -7.7016 -7.6810 -7.6810 -6.6153 -6.6153 -6.6142 -6.6142 0.5955 0.5955 0.6014 0.6014 1.6308 1.6308 1.8142 1.8142 2.1497 2.1497 2.2983 2.2983 2.5286 2.5286 2.5758 2.5758 3.3699 3.3699 3.3957 3.3957 3.7328 3.7328 3.7427 3.7427 7.3385 7.3385 7.3533 7.3533 7.8012 7.8012 7.8287 7.8287 k = 0.3023 0.4526-0.0000 ( 5834 PWs) bands (ev): -7.7146 -7.7146 -7.6935 -7.6935 -6.6312 -6.6312 -6.6301 -6.6301 0.6245 0.6245 0.6332 0.6332 1.6121 1.6121 1.7811 1.7811 2.1773 2.1773 2.3075 2.3075 2.5252 2.5252 2.5860 2.5860 3.3547 3.3547 3.3823 3.3823 3.7331 3.7331 3.7507 3.7507 7.3619 7.3619 7.3771 7.3771 7.8005 7.8005 7.8288 7.8288 k = 0.2907 0.4526-0.0000 ( 5828 PWs) bands (ev): -7.7280 -7.7280 -7.7066 -7.7066 -6.6469 -6.6469 -6.6459 -6.6459 0.6542 0.6542 0.6658 0.6658 1.5901 1.5901 1.7440 1.7440 2.2000 2.2000 2.3062 2.3062 2.5333 2.5333 2.6147 2.6147 3.3383 3.3383 3.3679 3.3679 3.7307 3.7307 3.7578 3.7578 7.3877 7.3877 7.4032 7.4032 7.8003 7.8003 7.8297 7.8297 k = 0.2791 0.4526-0.0000 ( 5824 PWs) bands (ev): -7.7419 -7.7419 -7.7203 -7.7203 -6.6624 -6.6624 -6.6616 -6.6616 0.6843 0.6843 0.6992 0.6992 1.5659 1.5659 1.7052 1.7052 2.2126 2.2126 2.2951 2.2951 2.5548 2.5548 2.6594 2.6594 3.3221 3.3221 3.3535 3.3535 3.7253 3.7253 3.7641 3.7641 7.4155 7.4155 7.4313 7.4313 7.8009 7.8009 7.8318 7.8318 k = 0.2674 0.4526-0.0000 ( 5816 PWs) bands (ev): -7.7562 -7.7562 -7.7345 -7.7345 -6.6777 -6.6777 -6.6770 -6.6770 0.7151 0.7151 0.7334 0.7334 1.5402 1.5402 1.6660 1.6660 2.2142 2.2142 2.2771 2.2771 2.5881 2.5881 2.7146 2.7146 3.3077 3.3077 3.3400 3.3400 3.7165 3.7165 3.7698 3.7698 7.4449 7.4449 7.4611 7.4611 7.8027 7.8027 7.8357 7.8357 k = 0.2558 0.4526-0.0000 ( 5818 PWs) bands (ev): -7.7707 -7.7707 -7.7491 -7.7491 -6.6926 -6.6926 -6.6921 -6.6921 0.7465 0.7465 0.7684 0.7684 1.5138 1.5138 1.6272 1.6272 2.2068 2.2068 2.2553 2.2553 2.6290 2.6290 2.7747 2.7747 3.2978 3.2978 3.3285 3.3285 3.7045 3.7045 3.7757 3.7757 7.4753 7.4753 7.4920 7.4920 7.8061 7.8061 7.8418 7.8418 k = 0.2442 0.4526-0.0000 ( 5810 PWs) bands (ev): -7.7855 -7.7855 -7.7640 -7.7640 -6.7071 -6.7071 -6.7067 -6.7067 0.7785 0.7785 0.8040 0.8040 1.4873 1.4873 1.5892 1.5892 2.1933 2.1933 2.2314 2.2314 2.6722 2.6722 2.8332 2.8332 3.2963 3.2963 3.3202 3.3202 3.6891 3.6891 3.7827 3.7827 7.5060 7.5060 7.5236 7.5236 7.8112 7.8112 7.8504 7.8504 k = 0.2326 0.4526-0.0000 ( 5806 PWs) bands (ev): -7.8004 -7.8004 -7.7793 -7.7793 -6.7210 -6.7210 -6.7209 -6.7209 0.8110 0.8110 0.8404 0.8404 1.4610 1.4610 1.5523 1.5523 2.1758 2.1758 2.2065 2.2065 2.7130 2.7130 2.8831 2.8831 3.3088 3.3088 3.3157 3.3157 3.6707 3.6707 3.7923 3.7923 7.5363 7.5363 7.5553 7.5553 7.8186 7.8186 7.8622 7.8622 k = 0.2209 0.4526-0.0000 ( 5814 PWs) bands (ev): -7.8154 -7.8154 -7.7946 -7.7946 -6.7345 -6.7345 -6.7345 -6.7345 0.8442 0.8442 0.8774 0.8774 1.4353 1.4353 1.5167 1.5167 2.1560 2.1560 2.1812 2.1812 2.7475 2.7475 2.9178 2.9178 3.3155 3.3155 3.3409 3.3409 3.6494 3.6494 3.8064 3.8064 7.5651 7.5651 7.5860 7.5860 7.8288 7.8288 7.8779 7.8779 k = 0.2093 0.4526-0.0000 ( 5818 PWs) bands (ev): -7.8303 -7.8303 -7.8100 -7.8100 -6.7475 -6.7475 -6.7474 -6.7474 0.8779 0.8779 0.9152 0.9152 1.4106 1.4106 1.4826 1.4826 2.1347 2.1347 2.1559 2.1559 2.7732 2.7732 2.9343 2.9343 3.3187 3.3187 3.3943 3.3943 3.6258 3.6258 3.8274 3.8274 7.5913 7.5913 7.6146 7.6146 7.8427 7.8427 7.8982 7.8982 k = 0.1977 0.4526-0.0000 ( 5828 PWs) bands (ev): -7.8450 -7.8450 -7.8254 -7.8254 -6.7599 -6.7599 -6.7596 -6.7596 0.9121 0.9121 0.9536 0.9536 1.3870 1.3870 1.4500 1.4500 2.1125 2.1125 2.1308 2.1308 2.7892 2.7892 2.9353 2.9353 3.3236 3.3236 3.4648 3.4648 3.6013 3.6013 3.8574 3.8574 7.6140 7.6140 7.6396 7.6396 7.8613 7.8613 7.9235 7.9235 k = 0.1860 0.4526-0.0000 ( 5830 PWs) bands (ev): -7.8596 -7.8596 -7.8407 -7.8407 -6.7717 -6.7717 -6.7712 -6.7712 0.9467 0.9467 0.9927 0.9927 1.3649 1.3649 1.4192 1.4192 2.0898 2.0898 2.1060 2.1060 2.7959 2.7959 2.9253 2.9253 3.3276 3.3276 3.5353 3.5353 3.5881 3.5881 3.8980 3.8980 7.6324 7.6324 7.6599 7.6599 7.8853 7.8853 7.9543 7.9543 k = 0.1744 0.4526-0.0000 ( 5826 PWs) bands (ev): -7.8737 -7.8737 -7.8556 -7.8556 -6.7828 -6.7828 -6.7822 -6.7822 0.9815 0.9815 1.0322 1.0322 1.3446 1.3446 1.3901 1.3901 2.0666 2.0666 2.0816 2.0816 2.7947 2.7947 2.9086 2.9086 3.3288 3.3288 3.5321 3.5321 3.6557 3.6557 3.9496 3.9496 7.6463 7.6463 7.6746 7.6746 7.9150 7.9150 7.9904 7.9904 k = 0.1628 0.4526-0.0000 ( 5822 PWs) bands (ev): -7.8875 -7.8875 -7.8702 -7.8702 -6.7931 -6.7931 -6.7925 -6.7925 1.0162 1.0162 1.0722 1.0722 1.3265 1.3265 1.3629 1.3629 2.0431 2.0431 2.0574 2.0574 2.7873 2.7873 2.8877 2.8877 3.3260 3.3260 3.5040 3.5040 3.7523 3.7523 4.0114 4.0114 7.6556 7.6556 7.6840 7.6840 7.9499 7.9499 8.0311 8.0311 k = 0.1512 0.4526-0.0000 ( 5828 PWs) bands (ev): -7.9007 -7.9007 -7.8844 -7.8844 -6.8028 -6.8028 -6.8021 -6.8021 1.0502 1.0502 1.1123 1.1123 1.3113 1.3113 1.3380 1.3380 2.0194 2.0194 2.0334 2.0334 2.7753 2.7753 2.8644 2.8644 3.3193 3.3193 3.4735 3.4735 3.8538 3.8538 4.0815 4.0815 7.6608 7.6608 7.6883 7.6883 7.9890 7.9890 8.0756 8.0756 k = 0.1395 0.4526-0.0000 ( 5836 PWs) bands (ev): -7.9133 -7.9133 -7.8980 -7.8980 -6.8118 -6.8118 -6.8110 -6.8110 1.0824 1.0824 1.1520 1.1520 1.2999 1.2999 1.3158 1.3158 1.9952 1.9952 2.0096 2.0096 2.7602 2.7602 2.8396 2.8396 3.3093 3.3093 3.4425 3.4425 3.9570 3.9570 4.1575 4.1575 7.6622 7.6622 7.6882 7.6882 8.0311 8.0311 8.1231 8.1231 k = 0.1279 0.4526-0.0000 ( 5832 PWs) bands (ev): -7.9251 -7.9251 -7.9109 -7.9109 -6.8200 -6.8200 -6.8192 -6.8192 1.1111 1.1111 1.1894 1.1894 1.2942 1.2942 1.2980 1.2980 1.9707 1.9707 1.9857 1.9857 2.7431 2.7431 2.8142 2.8142 3.2969 3.2969 3.4118 3.4118 4.0600 4.0600 4.2372 4.2372 7.6603 7.6603 7.6845 7.6845 8.0753 8.0753 8.1725 8.1725 k = 0.1163 0.4526-0.0000 ( 5826 PWs) bands (ev): -7.9362 -7.9362 -7.9231 -7.9231 -6.8276 -6.8276 -6.8267 -6.8267 1.1338 1.1338 1.2182 1.2182 1.2909 1.2909 1.2966 1.2966 1.9455 1.9455 1.9617 1.9617 2.7249 2.7249 2.7887 2.7887 3.2832 3.2832 3.3820 3.3820 4.1614 4.1614 4.3183 4.3183 7.6554 7.6554 7.6774 7.6774 8.1207 8.1207 8.2232 8.2232 k = 0.1047 0.4526-0.0000 ( 5830 PWs) bands (ev): -7.9464 -7.9464 -7.9345 -7.9345 -6.8343 -6.8343 -6.8335 -6.8335 1.1482 1.1482 1.2253 1.2253 1.3076 1.3076 1.3094 1.3094 1.9197 1.9197 1.9372 1.9372 2.7064 2.7064 2.7635 2.7635 3.2688 3.2688 3.3535 3.3535 4.2601 4.2601 4.3987 4.3987 7.6480 7.6480 7.6676 7.6676 8.1667 8.1667 8.2742 8.2742 k = 0.0930 0.4526-0.0000 ( 5816 PWs) bands (ev): -7.9557 -7.9557 -7.9450 -7.9450 -6.8404 -6.8404 -6.8395 -6.8395 1.1546 1.1546 1.2167 1.2167 1.3322 1.3322 1.3418 1.3418 1.8931 1.8931 1.9122 1.9122 2.6883 2.6883 2.7390 2.7390 3.2548 3.2548 3.3268 3.3268 4.3546 4.3546 4.4766 4.4766 7.6385 7.6385 7.6555 7.6555 8.2126 8.2126 8.3248 8.3248 k = 0.0814 0.4526-0.0000 ( 5824 PWs) bands (ev): -7.9639 -7.9639 -7.9545 -7.9545 -6.8457 -6.8457 -6.8449 -6.8449 1.1556 1.1556 1.2045 1.2045 1.3622 1.3622 1.3812 1.3812 1.8655 1.8655 1.8865 1.8865 2.6712 2.6712 2.7157 2.7157 3.2415 3.2415 3.3021 3.3021 4.4437 4.4437 4.5499 4.5499 7.6275 7.6275 7.6417 7.6417 8.2581 8.2581 8.3744 8.3744 k = 0.0698 0.4526-0.0000 ( 5822 PWs) bands (ev): -7.9711 -7.9711 -7.9629 -7.9629 -6.8503 -6.8503 -6.8496 -6.8496 1.1538 1.1538 1.1924 1.1924 1.3966 1.3966 1.4220 1.4220 1.8368 1.8368 1.8598 1.8598 2.6556 2.6556 2.6940 2.6940 3.2296 3.2296 3.2798 3.2798 4.5259 4.5259 4.6171 4.6171 7.6154 7.6154 7.6269 7.6269 8.3027 8.3027 8.4221 8.4221 k = 0.0581 0.4526-0.0000 ( 5830 PWs) bands (ev): -7.9771 -7.9771 -7.9703 -7.9703 -6.8542 -6.8542 -6.8536 -6.8536 1.1511 1.1511 1.1814 1.1814 1.4335 1.4335 1.4630 1.4630 1.8071 1.8071 1.8321 1.8321 2.6419 2.6419 2.6742 2.6742 3.2195 3.2195 3.2601 3.2601 4.6000 4.6000 4.6762 4.6762 7.6032 7.6032 7.6121 7.6121 8.3463 8.3463 8.4670 8.4670 k = 0.0465 0.4526-0.0000 ( 5818 PWs) bands (ev): -7.9820 -7.9820 -7.9765 -7.9765 -6.8574 -6.8574 -6.8568 -6.8568 1.1486 1.1486 1.1717 1.1717 1.4714 1.4714 1.5033 1.5033 1.7763 1.7763 1.8031 1.8031 2.6308 2.6308 2.6568 2.6568 3.2114 3.2114 3.2432 3.2432 4.6645 4.6645 4.7259 4.7259 7.5915 7.5915 7.5980 7.5980 8.3885 8.3885 8.5076 8.5076 k = 0.0349 0.4526-0.0000 ( 5826 PWs) bands (ev): -7.9857 -7.9857 -7.9815 -7.9815 -6.8598 -6.8598 -6.8594 -6.8594 1.1467 1.1467 1.1635 1.1635 1.5095 1.5095 1.5422 1.5422 1.7450 1.7450 1.7731 1.7731 2.6224 2.6224 2.6420 2.6420 3.2057 3.2057 3.2291 3.2291 4.7182 4.7182 4.7644 4.7644 7.5812 7.5812 7.5857 7.5857 8.4294 8.4294 8.5411 8.5411 k = 0.0233 0.4526-0.0000 ( 5834 PWs) bands (ev): -7.9881 -7.9881 -7.9853 -7.9853 -6.8615 -6.8615 -6.8612 -6.8612 1.1460 1.1460 1.1569 1.1569 1.5468 1.5468 1.5783 1.5783 1.7142 1.7142 1.7422 1.7422 2.6171 2.6171 2.6303 2.6303 3.2026 3.2026 3.2180 3.2180 4.7597 4.7597 4.7907 4.7907 7.5733 7.5733 7.5760 7.5760 8.4686 8.4686 8.5612 8.5612 k = 0.0116 0.4526-0.0000 ( 5842 PWs) bands (ev): -7.9893 -7.9893 -7.9879 -7.9879 -6.8625 -6.8625 -6.8624 -6.8624 1.1465 1.1465 1.1519 1.1519 1.5815 1.5815 1.6061 1.6061 1.6892 1.6892 1.7119 1.7119 2.6152 2.6152 2.6218 2.6218 3.2021 3.2021 3.2098 3.2098 4.7882 4.7882 4.8038 4.8038 7.5684 7.5684 7.5697 7.5697 8.5053 8.5053 8.5593 8.5593 k = 0.0000 0.4526-0.0000 ( 5846 PWs) bands (ev): -7.9892 -7.9892 -7.9892 -7.9892 -6.8628 -6.8628 -6.8628 -6.8628 1.1485 1.1485 1.1485 1.1485 1.6076 1.6076 1.6076 1.6076 1.6880 1.6880 1.6880 1.6880 2.6168 2.6168 2.6168 2.6168 3.2045 3.2045 3.2045 3.2045 4.8030 4.8030 4.8030 4.8030 7.5671 7.5671 7.5671 7.5671 8.5375 8.5375 8.5375 8.5375 k = 0.0000 0.4526-0.0000 ( 5846 PWs) bands (ev): -7.9892 -7.9892 -7.9892 -7.9892 -6.8628 -6.8628 -6.8628 -6.8628 1.1485 1.1485 1.1485 1.1485 1.6076 1.6076 1.6076 1.6076 1.6880 1.6880 1.6880 1.6880 2.6168 2.6168 2.6168 2.6168 3.2045 3.2045 3.2045 3.2045 4.8030 4.8030 4.8030 4.8030 7.5671 7.5671 7.5671 7.5671 8.5375 8.5375 8.5375 8.5375 k = 0.0000 0.4410-0.0000 ( 5830 PWs) bands (ev): -8.0123 -8.0123 -7.9677 -7.9677 -6.8684 -6.8684 -6.8580 -6.8580 1.1410 1.1410 1.1528 1.1528 1.5812 1.5812 1.6154 1.6154 1.6477 1.6477 1.7533 1.7533 2.5922 2.5922 2.6446 2.6446 3.1807 3.1807 3.2310 3.2310 4.7931 4.7931 4.8126 4.8126 7.5640 7.5640 7.5734 7.5734 8.4916 8.4916 8.5778 8.5778 k = 0.0000 0.4294-0.0000 ( 5822 PWs) bands (ev): -8.0367 -8.0367 -7.9477 -7.9477 -6.8749 -6.8749 -6.8541 -6.8541 1.1288 1.1288 1.1553 1.1553 1.5492 1.5492 1.5751 1.5751 1.6702 1.6702 1.8227 1.8227 2.5711 2.5711 2.6754 2.6754 3.1606 3.1606 3.2597 3.2597 4.7829 4.7829 4.8220 4.8220 7.5641 7.5641 7.5824 7.5824 8.4436 8.4436 8.6030 8.6030 k = 0.0000 0.4178-0.0000 ( 5826 PWs) bands (ev): -8.0625 -8.0625 -7.9293 -7.9293 -6.8822 -6.8822 -6.8510 -6.8510 1.1100 1.1100 1.1569 1.1569 1.5100 1.5100 1.5469 1.5469 1.7001 1.7001 1.8932 1.8932 2.5536 2.5536 2.7084 2.7084 3.1454 3.1454 3.2902 3.2902 4.7726 4.7726 4.8312 4.8312 7.5676 7.5676 7.5941 7.5941 8.3946 8.3946 8.5997 8.5997 k = 0.0000 0.4062-0.0000 ( 5828 PWs) bands (ev): -8.0895 -8.0895 -7.9125 -7.9125 -6.8902 -6.8902 -6.8489 -6.8489 1.0832 1.0832 1.1583 1.1583 1.4754 1.4754 1.5261 1.5261 1.7322 1.7322 1.9627 1.9627 2.5400 2.5400 2.7424 2.7424 3.1370 3.1370 3.3221 3.3221 4.7621 4.7621 4.8401 4.8401 7.5748 7.5748 7.6082 7.6082 8.3455 8.3455 8.5754 8.5754 k = 0.0000 0.3946-0.0000 ( 5836 PWs) bands (ev): -8.1176 -8.1176 -7.8974 -7.8974 -6.8990 -6.8990 -6.8476 -6.8476 1.0487 1.0487 1.1600 1.1600 1.4496 1.4496 1.5094 1.5094 1.7659 1.7659 2.0292 2.0292 2.5307 2.5307 2.7754 2.7754 3.1379 3.1379 3.3553 3.3553 4.7515 4.7515 4.8488 4.8488 7.5858 7.5858 7.6245 7.6245 8.2967 8.2967 8.5418 8.5418 k = 0.0000 0.3830-0.0000 ( 5834 PWs) bands (ev): -8.1468 -8.1468 -7.8839 -7.8839 -6.9085 -6.9085 -6.8472 -6.8472 1.0079 1.0079 1.1621 1.1621 1.4310 1.4310 1.4969 1.4969 1.8011 1.8011 2.0909 2.0909 2.5264 2.5264 2.8047 2.8047 3.1511 3.1511 3.3899 3.3899 4.7408 4.7408 4.8572 4.8572 7.6008 7.6008 7.6428 7.6428 8.2486 8.2486 8.5028 8.5028 k = 0.0000 0.3714-0.0000 ( 5832 PWs) bands (ev): -8.1769 -8.1769 -7.8722 -7.8722 -6.9186 -6.9186 -6.8476 -6.8476 0.9630 0.9630 1.1649 1.1649 1.4171 1.4171 1.4890 1.4890 1.8378 1.8378 2.1459 2.1459 2.5282 2.5282 2.8281 2.8281 3.1786 3.1786 3.4262 3.4262 4.7300 4.7300 4.8655 4.8655 7.6198 7.6198 7.6628 7.6628 8.2016 8.2016 8.4596 8.4596 k = 0.0000 0.3598-0.0000 ( 5836 PWs) bands (ev): -8.2079 -8.2079 -7.8621 -7.8621 -6.9292 -6.9292 -6.8488 -6.8488 0.9163 0.9163 1.1684 1.1684 1.4051 1.4051 1.4862 1.4862 1.8760 1.8760 2.1922 2.1922 2.5375 2.5375 2.8451 2.8451 3.2205 3.2205 3.4646 3.4646 4.7191 4.7191 4.8735 4.8735 7.6429 7.6429 7.6845 7.6845 8.1560 8.1560 8.4128 8.4128 k = 0.0000 0.3482-0.0000 ( 5836 PWs) bands (ev): -8.2395 -8.2395 -7.8537 -7.8537 -6.9404 -6.9404 -6.8508 -6.8508 0.8693 0.8693 1.1726 1.1726 1.3938 1.3938 1.4879 1.4879 1.9155 1.9155 2.2284 2.2284 2.5553 2.5553 2.8572 2.8572 3.2738 3.2738 3.5062 3.5062 4.7083 4.7083 4.8814 4.8814 7.6702 7.6702 7.7076 7.7076 8.1123 8.1123 8.3626 8.3626 k = 0.0000 0.3365-0.0000 ( 5836 PWs) bands (ev): -8.2716 -8.2716 -7.8469 -7.8469 -6.9520 -6.9520 -6.8536 -6.8536 0.8235 0.8235 1.1776 1.1776 1.3827 1.3827 1.4928 1.4928 1.9563 1.9563 2.2545 2.2545 2.5816 2.5816 2.8669 2.8669 3.3337 3.3337 3.5529 3.5529 4.6975 4.6975 4.8891 4.8891 7.7017 7.7017 7.7320 7.7320 8.0707 8.0707 8.3091 8.3091 k = 0.0000 0.3249-0.0000 ( 5840 PWs) bands (ev): -8.3042 -8.3042 -7.8417 -7.8417 -6.9640 -6.9640 -6.8570 -6.8570 0.7797 0.7797 1.1832 1.1832 1.3719 1.3719 1.4998 1.4998 1.9984 1.9984 2.2717 2.2717 2.6151 2.6151 2.8767 2.8767 3.3948 3.3948 3.6071 3.6071 4.6869 4.6869 4.8967 4.8967 7.7373 7.7373 7.7576 7.7576 8.0317 8.0317 8.2524 8.2524 k = 0.0000 0.3133-0.0000 ( 5834 PWs) bands (ev): -8.3371 -8.3371 -7.8381 -7.8381 -6.9764 -6.9764 -6.8610 -6.8610 0.7385 0.7385 1.1893 1.1893 1.3617 1.3617 1.5077 1.5077 2.0415 2.0415 2.2821 2.2821 2.6537 2.6537 2.8886 2.8886 3.4520 3.4520 3.6712 3.6712 4.6765 4.6765 4.9043 4.9043 7.7767 7.7767 7.7842 7.7842 7.9958 7.9958 8.1929 8.1929 k = 0.0000 0.3017-0.0000 ( 5822 PWs) bands (ev): -8.3702 -8.3702 -7.8359 -7.8359 -6.9890 -6.9890 -6.8656 -6.8656 0.7003 0.7003 1.1959 1.1959 1.3521 1.3521 1.5154 1.5154 2.0858 2.0858 2.2879 2.2879 2.6954 2.6954 2.9041 2.9041 3.5028 3.5028 3.7457 3.7457 4.6663 4.6663 4.9119 4.9119 7.8110 7.8110 7.8206 7.8206 7.9633 7.9633 8.1307 8.1307 k = 0.0000 0.2901-0.0000 ( 5812 PWs) bands (ev): -8.4034 -8.4034 -7.8351 -7.8351 -7.0017 -7.0017 -6.8708 -6.8708 0.6653 0.6653 1.2029 1.2029 1.3433 1.3433 1.5224 1.5224 2.1309 2.1309 2.2908 2.2908 2.7383 2.7383 2.9242 2.9242 3.5473 3.5473 3.8286 3.8286 4.6564 4.6564 4.9196 4.9196 7.8387 7.8387 7.8669 7.8669 7.9351 7.9351 8.0665 8.0665 k = 0.0000 0.2785-0.0000 ( 5818 PWs) bands (ev): -8.4364 -8.4364 -7.8357 -7.8357 -7.0147 -7.0147 -6.8764 -6.8764 0.6337 0.6337 1.2100 1.2100 1.3353 1.3353 1.5279 1.5279 2.1769 2.1769 2.2920 2.2920 2.7813 2.7813 2.9498 2.9498 3.5870 3.5870 3.9168 3.9168 4.6469 4.6469 4.9275 4.9275 7.8636 7.8636 7.9037 7.9037 7.9254 7.9254 8.0021 8.0021 k = 0.0000 0.2669-0.0000 ( 5802 PWs) bands (ev): -8.4692 -8.4692 -7.8374 -7.8374 -7.0276 -7.0276 -6.8823 -6.8823 0.6056 0.6056 1.2171 1.2171 1.3282 1.3282 1.5316 1.5316 2.2234 2.2234 2.2925 2.2925 2.8238 2.8238 2.9808 2.9808 3.6236 3.6236 4.0073 4.0073 4.6379 4.6379 4.9355 4.9355 7.8630 7.8630 7.9069 7.9069 7.9441 7.9441 7.9747 7.9747 k = 0.0000 0.2553-0.0000 ( 5806 PWs) bands (ev): -8.5017 -8.5017 -7.8403 -7.8403 -7.0406 -7.0406 -6.8886 -6.8886 0.5809 0.5809 1.2241 1.2241 1.3219 1.3219 1.5332 1.5332 2.2698 2.2698 2.2933 2.2933 2.8658 2.8658 3.0171 3.0171 3.6580 3.6580 4.0978 4.0978 4.6295 4.6295 4.9439 4.9439 7.8215 7.8215 7.8931 7.8931 7.9450 7.9450 8.0296 8.0296 k = 0.0000 0.2437-0.0000 ( 5800 PWs) bands (ev): -8.5337 -8.5337 -7.8442 -7.8442 -7.0535 -7.0535 -6.8951 -6.8951 0.5597 0.5597 1.2308 1.2308 1.3165 1.3165 1.5325 1.5325 2.2916 2.2916 2.3194 2.3194 2.9076 2.9076 3.0575 3.0575 3.6912 3.6912 4.1865 4.1865 4.6219 4.6219 4.9527 4.9527 7.7562 7.7562 7.8757 7.8757 7.9769 7.9769 8.0870 8.0870 k = 0.0000 0.2321-0.0000 ( 5800 PWs) bands (ev): -8.5651 -8.5651 -7.8490 -7.8490 -7.0663 -7.0663 -6.9018 -6.9018 0.5419 0.5419 1.2369 1.2369 1.3120 1.3120 1.5294 1.5294 2.2930 2.2930 2.3665 2.3665 2.9497 2.9497 3.1010 3.1010 3.7236 3.7236 4.2717 4.2717 4.6154 4.6154 4.9621 4.9621 7.6822 7.6822 7.8676 7.8676 8.0134 8.0134 8.1455 8.1455 k = 0.0000 0.2205-0.0000 ( 5807 PWs) bands (ev): -8.5958 -8.5958 -7.8546 -7.8546 -7.0788 -7.0788 -6.9086 -6.9086 0.5273 0.5273 1.2424 1.2424 1.3084 1.3084 1.5239 1.5239 2.2948 2.2948 2.4141 2.4141 2.9926 2.9926 3.1465 3.1465 3.7556 3.7556 4.3518 4.3518 4.6104 4.6104 4.9721 4.9721 7.6045 7.6045 7.8656 7.8656 8.0533 8.0533 8.2039 8.2039 k = 0.0000 0.2089-0.0000 ( 5807 PWs) bands (ev): -8.6257 -8.6257 -7.8609 -7.8609 -7.0911 -7.0911 -6.9155 -6.9155 0.5159 0.5159 1.2471 1.2471 1.3058 1.3058 1.5162 1.5162 2.2975 2.2975 2.4614 2.4614 3.0362 3.0362 3.1931 3.1931 3.7873 3.7873 4.4249 4.4249 4.6080 4.6080 4.9829 4.9829 7.5248 7.5248 7.8683 7.8683 8.0971 8.0971 8.2609 8.2609 k = 0.0000 0.1973-0.0000 ( 5799 PWs) bands (ev): -8.6546 -8.6546 -7.8677 -7.8677 -7.1031 -7.1031 -6.9224 -6.9224 0.5076 0.5076 1.2508 1.2508 1.3040 1.3040 1.5063 1.5063 2.3013 2.3013 2.5082 2.5082 3.0804 3.0804 3.2401 3.2401 3.8190 3.8190 4.4874 4.4874 4.6113 4.6113 4.9947 4.9947 7.4437 7.4437 7.8746 7.8746 8.1452 8.1452 8.3151 8.3151 k = 0.0000 0.1857-0.0000 ( 5793 PWs) bands (ev): -8.6825 -8.6825 -7.8749 -7.8749 -7.1147 -7.1147 -6.9292 -6.9292 0.5021 0.5021 1.2535 1.2535 1.3029 1.3029 1.4946 1.4946 2.3062 2.3062 2.5543 2.5543 3.1248 3.1248 3.2870 3.2870 3.8506 3.8506 4.5313 4.5313 4.6281 4.6281 5.0077 5.0077 7.3619 7.3619 7.8838 7.8838 8.1982 8.1982 8.3647 8.3647 k = 0.0000 0.1741-0.0000 ( 5785 PWs) bands (ev): -8.7092 -8.7092 -7.8825 -7.8825 -7.1259 -7.1259 -6.9358 -6.9358 0.4993 0.4993 1.2553 1.2553 1.3025 1.3025 1.4812 1.4812 2.3123 2.3123 2.5992 2.5992 3.1686 3.1686 3.3338 3.3338 3.8820 3.8820 4.5510 4.5510 4.6634 4.6634 5.0222 5.0222 7.2797 7.2797 7.8949 7.8949 8.2563 8.2563 8.4081 8.4081 k = 0.0000 0.1625-0.0000 ( 5781 PWs) bands (ev): -8.7347 -8.7347 -7.8902 -7.8902 -7.1366 -7.1366 -6.9423 -6.9423 0.4989 0.4989 1.2563 1.2563 1.3024 1.3024 1.4665 1.4665 2.3195 2.3195 2.6429 2.6429 3.2113 3.2113 3.3801 3.3801 3.9130 3.9130 4.5573 4.5573 4.7069 4.7069 5.0383 5.0383 7.1978 7.1978 7.9072 7.9072 8.3198 8.3198 8.4439 8.4439 k = 0.0000 0.1509-0.0000 ( 5777 PWs) bands (ev): -8.7588 -8.7588 -7.8979 -7.8979 -7.1468 -7.1468 -6.9486 -6.9486 0.5007 0.5007 1.2566 1.2566 1.3024 1.3024 1.4508 1.4508 2.3278 2.3278 2.6849 2.6849 3.2521 3.2521 3.4260 3.4260 3.9433 3.9433 4.5591 4.5591 4.7494 4.7494 5.0562 5.0562 7.1165 7.1165 7.9199 7.9199 8.3882 8.3882 8.4714 8.4714 k = 0.0000 0.1393-0.0000 ( 5793 PWs) bands (ev): -8.7815 -8.7815 -7.9056 -7.9056 -7.1564 -7.1564 -6.9545 -6.9545 0.5045 0.5045 1.2565 1.2565 1.3021 1.3021 1.4345 1.4345 2.3370 2.3370 2.7249 2.7249 3.2903 3.2903 3.4713 3.4713 3.9724 3.9724 4.5599 4.5599 4.7882 4.7882 5.0761 5.0761 7.0363 7.0363 7.9324 7.9324 8.4604 8.4604 8.4910 8.4910 k = 0.0000 0.1277-0.0000 ( 5801 PWs) bands (ev): -8.8027 -8.8027 -7.9132 -7.9132 -7.1654 -7.1654 -6.9602 -6.9602 0.5100 0.5100 1.2561 1.2561 1.3013 1.3013 1.4181 1.4181 2.3469 2.3469 2.7627 2.7627 3.3256 3.3256 3.5159 3.5159 4.0000 4.0000 4.5607 4.5607 4.8225 4.8225 5.0980 5.0980 6.9579 6.9579 7.9444 7.9444 8.5003 8.5003 8.5389 8.5389 k = 0.0000 0.1161-0.0000 ( 5799 PWs) bands (ev): -8.8222 -8.8222 -7.9204 -7.9204 -7.1737 -7.1737 -6.9655 -6.9655 0.5170 0.5170 1.2553 1.2553 1.2998 1.2998 1.4021 1.4021 2.3573 2.3573 2.7980 2.7980 3.3577 3.3577 3.5593 3.5593 4.0256 4.0256 4.5618 4.5618 4.8526 4.8526 5.1215 5.1215 6.8819 6.8819 7.9556 7.9556 8.5057 8.5057 8.6171 8.6171 k = 0.0000 0.1044-0.0000 ( 5795 PWs) bands (ev): -8.8402 -8.8402 -7.9273 -7.9273 -7.1813 -7.1813 -6.9704 -6.9704 0.5250 0.5250 1.2543 1.2543 1.2971 1.2971 1.3872 1.3872 2.3679 2.3679 2.8305 2.8305 3.3865 3.3865 3.6010 3.6010 4.0488 4.0488 4.5636 4.5636 4.8789 4.8789 5.1464 5.1464 6.8089 6.8089 7.9657 7.9657 8.5058 8.5058 8.6964 8.6964 k = 0.0000 0.0928-0.0000 ( 5795 PWs) bands (ev): -8.8564 -8.8564 -7.9337 -7.9337 -7.1883 -7.1883 -6.9748 -6.9748 0.5338 0.5338 1.2529 1.2529 1.2932 1.2932 1.3741 1.3741 2.3784 2.3784 2.8600 2.8600 3.4121 3.4121 3.6404 3.6404 4.0693 4.0693 4.5659 4.5659 4.9020 4.9020 5.1720 5.1720 6.7396 6.7396 7.9748 7.9748 8.5023 8.5023 8.7746 8.7746 k = 0.0000 0.0812-0.0000 ( 5795 PWs) bands (ev): -8.8708 -8.8708 -7.9396 -7.9396 -7.1945 -7.1945 -6.9788 -6.9788 0.5429 0.5429 1.2512 1.2512 1.2881 1.2881 1.3632 1.3632 2.3886 2.3886 2.8863 2.8863 3.4344 3.4344 3.6769 3.6769 4.0869 4.0869 4.5686 4.5686 4.9223 4.9223 5.1977 5.1977 6.6749 6.6749 7.9827 7.9827 8.4967 8.4967 8.8494 8.8494 k = 0.0000 0.0696-0.0000 ( 5807 PWs) bands (ev): -8.8835 -8.8835 -7.9449 -7.9449 -7.1999 -7.1999 -6.9824 -6.9824 0.5520 0.5520 1.2488 1.2488 1.2820 1.2820 1.3549 1.3549 2.3982 2.3982 2.9094 2.9094 3.4537 3.4537 3.7099 3.7099 4.1016 4.1016 4.5718 4.5718 4.9402 4.9402 5.2226 5.2226 6.6156 6.6156 7.9894 7.9894 8.4899 8.4899 8.9176 8.9177 k = 0.0000 0.0580-0.0000 ( 5815 PWs) bands (ev): -8.8942 -8.8942 -7.9494 -7.9494 -7.2045 -7.2045 -6.9854 -6.9854 0.5607 0.5607 1.2455 1.2455 1.2760 1.2760 1.3489 1.3489 2.4069 2.4069 2.9289 2.9289 3.4700 3.4700 3.7388 3.7388 4.1135 4.1135 4.5750 4.5750 4.9557 4.9557 5.2460 5.2460 6.5628 6.5628 7.9950 7.9950 8.4828 8.4828 8.9715 8.9715 k = 0.0000 0.0464-0.0000 ( 5815 PWs) bands (ev): -8.9030 -8.9030 -7.9532 -7.9532 -7.2083 -7.2083 -6.9879 -6.9879 0.5685 0.5685 1.2414 1.2414 1.2711 1.2711 1.3447 1.3447 2.4144 2.4144 2.9450 2.9450 3.4833 3.4833 3.7632 3.7632 4.1227 4.1227 4.5782 4.5782 4.9688 4.9688 5.2668 5.2668 6.5176 6.5176 7.9995 7.9995 8.4762 8.4762 8.9967 8.9967 k = 0.0000 0.0348-0.0000 ( 5819 PWs) bands (ev): -8.9100 -8.9100 -7.9562 -7.9562 -7.2113 -7.2113 -6.9898 -6.9898 0.5751 0.5751 1.2367 1.2367 1.2677 1.2677 1.3420 1.3420 2.4205 2.4205 2.9575 2.9575 3.4936 3.4936 3.7826 3.7826 4.1295 4.1295 4.5810 4.5810 4.9794 4.9794 5.2842 5.2842 6.4809 6.4809 8.0029 8.0029 8.4705 8.4705 9.0050 9.0050 k = 0.0000 0.0232-0.0000 ( 5819 PWs) bands (ev): -8.9149 -8.9149 -7.9584 -7.9584 -7.2134 -7.2134 -6.9913 -6.9913 0.5801 0.5801 1.2325 1.2325 1.2655 1.2655 1.3402 1.3402 2.4250 2.4250 2.9665 2.9665 3.5011 3.5011 3.7967 3.7967 4.1341 4.1341 4.5832 4.5832 4.9872 4.9872 5.2974 5.2974 6.4538 6.4538 8.0053 8.0053 8.4661 8.4661 9.0086 9.0086 k = 0.0000 0.0116-0.0000 ( 5809 PWs) bands (ev): -8.9179 -8.9179 -7.9597 -7.9597 -7.2147 -7.2147 -6.9921 -6.9921 0.5832 0.5832 1.2296 1.2296 1.2644 1.2644 1.3392 1.3392 2.4277 2.4277 2.9719 2.9719 3.5055 3.5055 3.8052 3.8052 4.1368 4.1368 4.5846 4.5846 4.9920 4.9920 5.3056 5.3056 6.4371 6.4371 8.0067 8.0067 8.4634 8.4634 9.0104 9.0104 k = 0.0000 0.0000 0.0000 ( 5803 PWs) bands (ev): -8.9189 -8.9189 -7.9601 -7.9601 -7.2151 -7.2151 -6.9924 -6.9924 0.5843 0.5843 1.2286 1.2286 1.2640 1.2640 1.3389 1.3389 2.4287 2.4287 2.9737 2.9737 3.5070 3.5070 3.8081 3.8081 4.1376 4.1376 4.5851 4.5851 4.9936 4.9936 5.3084 5.3084 6.4315 6.4315 8.0072 8.0072 8.4625 8.4625 9.0110 9.0110 k = 0.0000 0.0000 0.0000 ( 5803 PWs) bands (ev): -8.9189 -8.9189 -7.9601 -7.9601 -7.2151 -7.2151 -6.9924 -6.9924 0.5843 0.5843 1.2286 1.2286 1.2640 1.2640 1.3389 1.3389 2.4287 2.4287 2.9737 2.9737 3.5070 3.5070 3.8081 3.8081 4.1376 4.1376 4.5851 4.5851 4.9936 4.9936 5.3084 5.3084 6.4315 6.4315 8.0072 8.0072 8.4625 8.4625 9.0110 9.0110 k = 0.0000 0.0000 0.0116 ( 5815 PWs) bands (ev): -8.9188 -8.9188 -7.9602 -7.9602 -7.2158 -7.2158 -6.9916 -6.9916 0.5819 0.5819 1.2286 1.2286 1.2666 1.2666 1.3401 1.3401 2.4285 2.4285 2.9737 2.9737 3.5051 3.5051 3.8074 3.8074 4.1386 4.1386 4.5868 4.5868 4.9927 4.9927 5.3070 5.3070 6.4315 6.4315 8.0075 8.0075 8.4613 8.4613 9.0109 9.0109 k = 0.0000 0.0000 0.0232 ( 5816 PWs) bands (ev): -8.9187 -8.9187 -7.9604 -7.9604 -7.2179 -7.2179 -6.9895 -6.9895 0.5748 0.5748 1.2287 1.2287 1.2736 1.2736 1.3438 1.3438 2.4281 2.4281 2.9738 2.9738 3.4995 3.4995 3.8053 3.8053 4.1414 4.1414 4.5918 4.5918 4.9900 4.9900 5.3029 5.3029 6.4315 6.4315 8.0085 8.0085 8.4577 8.4577 9.0106 9.0106 k = 0.0000 0.0000 0.0348 ( 5822 PWs) bands (ev): -8.9184 -8.9184 -7.9606 -7.9606 -7.2212 -7.2212 -6.9860 -6.9860 0.5636 0.5636 1.2288 1.2288 1.2833 1.2833 1.3515 1.3515 2.4273 2.4273 2.9740 2.9740 3.4903 3.4903 3.8020 3.8020 4.1460 4.1460 4.6002 4.6002 4.9855 4.9855 5.2960 5.2960 6.4315 6.4315 8.0102 8.0102 8.4521 8.4521 9.0102 9.0102 k = 0.0000 0.0000 0.0465 ( 5822 PWs) bands (ev): -8.9181 -8.9181 -7.9609 -7.9609 -7.2254 -7.2254 -6.9814 -6.9814 0.5493 0.5493 1.2289 1.2289 1.2928 1.2928 1.3649 1.3649 2.4263 2.4263 2.9744 2.9744 3.4775 3.4775 3.7976 3.7976 4.1524 4.1524 4.6116 4.6116 4.9794 4.9794 5.2865 5.2865 6.4315 6.4315 8.0123 8.0123 8.4449 8.4449 9.0096 9.0096 k = 0.0000 0.0000 0.0581 ( 5824 PWs) bands (ev): -8.9177 -8.9177 -7.9614 -7.9614 -7.2305 -7.2305 -6.9761 -6.9761 0.5326 0.5326 1.2290 1.2290 1.3001 1.3001 1.3849 1.3849 2.4249 2.4249 2.9753 2.9753 3.4614 3.4614 3.7922 3.7922 4.1605 4.1605 4.6259 4.6259 4.9718 4.9718 5.2745 5.2745 6.4315 6.4315 8.0149 8.0149 8.4364 8.4364 9.0088 9.0088 k = 0.0000 0.0000 0.0697 ( 5820 PWs) bands (ev): -8.9172 -8.9172 -7.9619 -7.9619 -7.2360 -7.2360 -6.9702 -6.9702 0.5145 0.5145 1.2291 1.2291 1.3050 1.3050 1.4106 1.4106 2.4233 2.4233 2.9766 2.9766 3.4423 3.4423 3.7861 3.7861 4.1700 4.1700 4.6429 4.6429 4.9629 4.9629 5.2601 5.2601 6.4315 6.4315 8.0179 8.0179 8.4273 8.4273 9.0076 9.0077 k = 0.0000 0.0000 0.0813 ( 5816 PWs) bands (ev): -8.9167 -8.9167 -7.9624 -7.9624 -7.2418 -7.2418 -6.9640 -6.9640 0.4958 0.4958 1.2292 1.2292 1.3082 1.3082 1.4401 1.4401 2.4214 2.4214 2.9786 2.9786 3.4206 3.4206 3.7796 3.7796 4.1807 4.1807 4.6623 4.6623 4.9530 4.9530 5.2434 5.2434 6.4315 6.4315 8.0210 8.0210 8.4179 8.4179 9.0061 9.0061 k = 0.0000 0.0000 0.0929 ( 5816 PWs) bands (ev): -8.9161 -8.9161 -7.9630 -7.9630 -7.2476 -7.2476 -6.9577 -6.9577 0.4772 0.4772 1.2292 1.2292 1.3104 1.3104 1.4717 1.4717 2.4193 2.4193 2.9815 2.9815 3.3965 3.3965 3.7727 3.7727 4.1924 4.1924 4.6837 4.6837 4.9422 4.9422 5.2247 5.2247 6.4315 6.4315 8.0243 8.0243 8.4086 8.4086 9.0041 9.0041 k = 0.0000 0.0000 0.1045 ( 5808 PWs) bands (ev): -8.9156 -8.9156 -7.9636 -7.9636 -7.2533 -7.2533 -6.9515 -6.9515 0.4593 0.4593 1.2293 1.2293 1.3119 1.3119 1.5040 1.5040 2.4169 2.4169 2.9854 2.9854 3.3707 3.3707 3.7660 3.7660 4.2047 4.2047 4.7068 4.7068 4.9310 4.9310 5.2042 5.2042 6.4315 6.4315 8.0275 8.0275 8.3998 8.3998 9.0013 9.0013 k = 0.0000 0.0000 0.1161 ( 5808 PWs) bands (ev): -8.9150 -8.9150 -7.9641 -7.9641 -7.2586 -7.2586 -6.9457 -6.9457 0.4425 0.4425 1.2294 1.2294 1.3131 1.3131 1.5358 1.5358 2.4144 2.4144 2.9905 2.9905 3.3437 3.3437 3.7595 3.7595 4.2171 4.2171 4.7312 4.7312 4.9198 4.9198 5.1822 5.1822 6.4315 6.4315 8.0306 8.0306 8.3917 8.3917 8.9977 8.9977 k = 0.0000 0.0000 0.1278 ( 5818 PWs) bands (ev): -8.9145 -8.9145 -7.9647 -7.9647 -7.2635 -7.2635 -6.9404 -6.9404 0.4274 0.4274 1.2295 1.2295 1.3139 1.3139 1.5659 1.5659 2.4118 2.4118 2.9969 2.9969 3.3162 3.3162 3.7534 3.7534 4.2294 4.2294 4.7564 4.7564 4.9090 4.9090 5.1591 5.1591 6.4315 6.4315 8.0335 8.0335 8.3846 8.3846 8.9932 8.9932 k = 0.0000 0.0000 0.1394 ( 5814 PWs) bands (ev): -8.9140 -8.9140 -7.9652 -7.9652 -7.2679 -7.2679 -6.9357 -6.9357 0.4141 0.4141 1.2296 1.2296 1.3146 1.3146 1.5933 1.5933 2.4093 2.4093 3.0045 3.0045 3.2891 3.2891 3.7480 3.7480 4.2408 4.2408 4.7818 4.7818 4.8991 4.8991 5.1352 5.1352 6.4315 6.4315 8.0360 8.0360 8.3784 8.3784 8.9882 8.9882 k = 0.0000 0.0000 0.1510 ( 5800 PWs) bands (ev): -8.9136 -8.9136 -7.9656 -7.9656 -7.2715 -7.2715 -6.9316 -6.9316 0.4029 0.4029 1.2297 1.2297 1.3151 1.3151 1.6173 1.6173 2.4069 2.4069 3.0131 3.0131 3.2633 3.2633 3.7434 3.7434 4.2511 4.2511 4.8062 4.8062 4.8909 4.8909 5.1113 5.1113 6.4316 6.4316 8.0382 8.0382 8.3733 8.3733 8.9831 8.9831 k = 0.0000 0.0000 0.1626 ( 5800 PWs) bands (ev): -8.9133 -8.9133 -7.9660 -7.9660 -7.2744 -7.2744 -6.9284 -6.9284 0.3940 0.3940 1.2297 1.2297 1.3155 1.3155 1.6369 1.6369 2.4049 2.4049 3.0221 3.0221 3.2401 3.2401 3.7397 3.7397 4.2598 4.2598 4.8279 4.8279 4.8857 4.8857 5.0884 5.0884 6.4316 6.4316 8.0399 8.0399 8.3694 8.3694 8.9785 8.9785 k = 0.0000 0.0000 0.1742 ( 5802 PWs) bands (ev): -8.9130 -8.9130 -7.9662 -7.9662 -7.2766 -7.2766 -6.9261 -6.9261 0.3875 0.3875 1.2298 1.2298 1.3157 1.3157 1.6514 1.6514 2.4033 2.4033 3.0306 3.0306 3.2211 3.2211 3.7370 3.7370 4.2663 4.2663 4.8435 4.8435 4.8854 4.8854 5.0682 5.0682 6.4316 6.4316 8.0411 8.0411 8.3666 8.3666 8.9748 8.9749 k = 0.0000 0.0000 0.1858 ( 5798 PWs) bands (ev): -8.9129 -8.9129 -7.9664 -7.9664 -7.2779 -7.2779 -6.9247 -6.9247 0.3836 0.3836 1.2298 1.2298 1.3159 1.3159 1.6604 1.6604 2.4022 2.4022 3.0369 3.0369 3.2083 3.2083 3.7354 3.7354 4.2703 4.2703 4.8506 4.8506 4.8899 4.8899 5.0535 5.0535 6.4316 6.4316 8.0418 8.0418 8.3649 8.3649 8.9725 8.9725 k = 0.0000 0.0000 0.1974 ( 5804 PWs) bands (ev): -8.9128 -8.9128 -7.9665 -7.9665 -7.2783 -7.2783 -6.9242 -6.9242 0.3823 0.3823 1.2298 1.2298 1.3159 1.3159 1.6634 1.6634 2.4019 2.4019 3.0392 3.0392 3.2037 3.2037 3.7348 3.7348 4.2717 4.2717 4.8521 4.8521 4.8929 4.8929 5.0479 5.0479 6.4316 6.4316 8.0421 8.0421 8.3644 8.3644 8.9718 8.9718 k = 0.0000 0.0000 0.1974 ( 5804 PWs) bands (ev): -8.9128 -8.9128 -7.9665 -7.9665 -7.2783 -7.2783 -6.9242 -6.9242 0.3823 0.3823 1.2298 1.2298 1.3159 1.3159 1.6634 1.6634 2.4019 2.4019 3.0392 3.0392 3.2037 3.2037 3.7348 3.7348 4.2717 4.2717 4.8521 4.8521 4.8929 4.8929 5.0479 5.0479 6.4316 6.4316 8.0421 8.0421 8.3644 8.3644 8.9718 8.9718 k = 0.0116-0.0000 0.1974 ( 5800 PWs) bands (ev): -8.9120 -8.9120 -7.9663 -7.9663 -7.2778 -7.2778 -6.9239 -6.9239 0.3837 0.3837 1.2300 1.2300 1.3161 1.3161 1.6628 1.6628 2.4037 2.4037 3.0378 3.0378 3.2053 3.2053 3.7346 3.7346 4.2703 4.2703 4.8460 4.8460 4.8866 4.8866 5.0431 5.0431 6.4379 6.4379 8.0456 8.0456 8.3703 8.3703 8.9718 8.9718 k = 0.0233-0.0000 0.1974 ( 5804 PWs) bands (ev): -8.9098 -8.9098 -7.9657 -7.9657 -7.2763 -7.2763 -6.9228 -6.9228 0.3878 0.3878 1.2307 1.2307 1.3165 1.3165 1.6610 1.6610 2.4091 2.4091 3.0338 3.0338 3.2097 3.2097 3.7339 3.7339 4.2658 4.2658 4.8283 4.8283 4.8682 4.8682 5.0289 5.0289 6.4568 6.4568 8.0559 8.0559 8.3877 8.3877 8.9720 8.9721 k = 0.0349-0.0000 0.1974 ( 5808 PWs) bands (ev): -8.9060 -8.9060 -7.9647 -7.9647 -7.2737 -7.2737 -6.9211 -6.9211 0.3945 0.3945 1.2318 1.2318 1.3172 1.3172 1.6581 1.6581 2.4180 2.4180 3.0280 3.0280 3.2159 3.2159 3.7326 3.7326 4.2574 4.2574 4.8002 4.8002 4.8389 4.8389 5.0061 5.0061 6.4871 6.4871 8.0723 8.0723 8.4157 8.4157 8.9723 8.9723 k = 0.0465-0.0000 0.1974 ( 5808 PWs) bands (ev): -8.9007 -8.9007 -7.9634 -7.9634 -7.2702 -7.2702 -6.9187 -6.9187 0.4040 0.4040 1.2334 1.2334 1.3184 1.3184 1.6542 1.6542 2.4303 2.4303 3.0212 3.0212 3.2226 3.2226 3.7305 3.7305 4.2438 4.2438 4.7641 4.7641 4.8002 4.8002 4.9759 4.9759 6.5275 6.5275 8.0938 8.0938 8.4526 8.4526 8.9726 8.9726 k = 0.0581-0.0000 0.1974 ( 5812 PWs) bands (ev): -8.8940 -8.8940 -7.9617 -7.9617 -7.2656 -7.2656 -6.9157 -6.9157 0.4162 0.4162 1.2355 1.2355 1.3200 1.3200 1.6492 1.6492 2.4455 2.4455 3.0143 3.0143 3.2284 3.2284 3.7273 3.7273 4.2232 4.2232 4.7231 4.7231 4.7545 4.7545 4.9399 4.9399 6.5766 6.5766 8.1191 8.1191 8.4965 8.4965 8.9727 8.9727 k = 0.0698-0.0000 0.1974 ( 5814 PWs) bands (ev): -8.8858 -8.8858 -7.9598 -7.9598 -7.2600 -7.2600 -6.9119 -6.9119 0.4311 0.4311 1.2381 1.2381 1.3221 1.3221 1.6434 1.6434 2.4636 2.4636 3.0078 3.0078 3.2321 3.2321 3.7226 3.7226 4.1929 4.1929 4.6807 4.6807 4.7042 4.7042 4.9000 4.9000 6.6326 6.6326 8.1468 8.1468 8.5451 8.5451 8.9725 8.9725 k = 0.0814-0.0000 0.1974 ( 5822 PWs) bands (ev): -8.8762 -8.8762 -7.9576 -7.9576 -7.2533 -7.2533 -6.9076 -6.9076 0.4487 0.4487 1.2414 1.2414 1.3248 1.3248 1.6370 1.6370 2.4839 2.4839 3.0019 3.0019 3.2326 3.2326 3.7157 3.7157 4.1505 4.1505 4.6386 4.6386 4.6534 4.6534 4.8583 4.8583 6.6942 6.6942 8.1753 8.1753 8.5956 8.5956 8.9719 8.9719 k = 0.0930-0.0000 0.1974 ( 5832 PWs) bands (ev): -8.8652 -8.8652 -7.9553 -7.9553 -7.2456 -7.2456 -6.9025 -6.9025 0.4690 0.4690 1.2453 1.2453 1.3283 1.3283 1.6300 1.6300 2.5061 2.5061 2.9967 2.9967 3.2292 3.2292 3.7060 3.7060 4.0944 4.0944 4.5907 4.5907 4.6133 4.6133 4.8170 4.8170 6.7600 6.7600 8.2033 8.2033 8.6451 8.6451 8.9707 8.9707 k = 0.1047-0.0000 0.1974 ( 5834 PWs) bands (ev): -8.8530 -8.8530 -7.9529 -7.9529 -7.2367 -7.2367 -6.8969 -6.8969 0.4920 0.4920 1.2499 1.2499 1.3326 1.3326 1.6226 1.6226 2.5295 2.5295 2.9920 2.9920 3.2212 3.2212 3.6924 3.6924 4.0250 4.0250 4.5388 4.5388 4.5850 4.5850 4.7782 4.7782 6.8290 6.8290 8.2294 8.2294 8.6905 8.6905 8.9690 8.9690 k = 0.1163-0.0000 0.1974 ( 5834 PWs) bands (ev): -8.8394 -8.8394 -7.9504 -7.9504 -7.2268 -7.2268 -6.8906 -6.8906 0.5176 0.5176 1.2552 1.2552 1.3377 1.3377 1.6150 1.6150 2.5532 2.5532 2.9872 2.9872 3.2089 3.2089 3.6738 3.6738 3.9443 3.9443 4.4893 4.4893 4.5630 4.5630 4.7440 4.7440 6.9003 6.9003 8.2526 8.2526 8.7283 8.7283 8.9668 8.9669 k = 0.1279-0.0000 0.1974 ( 5818 PWs) bands (ev): -8.8246 -8.8246 -7.9480 -7.9480 -7.2158 -7.2158 -6.8837 -6.8837 0.5460 0.5460 1.2613 1.2613 1.3438 1.3438 1.6074 1.6074 2.5761 2.5761 2.9812 2.9812 3.1932 3.1932 3.6488 3.6488 3.8554 3.8554 4.4447 4.4447 4.5448 4.5448 4.7164 4.7164 6.9729 6.9729 8.2722 8.2722 8.7552 8.7552 8.9643 8.9643 k = 0.1395-0.0000 0.1974 ( 5824 PWs) bands (ev): -8.8087 -8.8087 -7.9457 -7.9457 -7.2037 -7.2037 -6.8763 -6.8763 0.5769 0.5769 1.2681 1.2681 1.3510 1.3510 1.6000 1.6000 2.5966 2.5966 2.9726 2.9726 3.1760 3.1760 3.6156 3.6156 3.7626 3.7626 4.4063 4.4063 4.5285 4.5285 4.6963 4.6963 7.0464 7.0464 8.2875 8.2875 8.7684 8.7684 8.9610 8.9610 k = 0.1512-0.0000 0.1974 ( 5830 PWs) bands (ev): -8.7917 -8.7917 -7.9435 -7.9435 -7.1905 -7.1905 -6.8683 -6.8683 0.6105 0.6105 1.2758 1.2758 1.3593 1.3593 1.5928 1.5928 2.6124 2.6124 2.9597 2.9597 3.1603 3.1603 3.5703 3.5703 3.6723 3.6723 4.3750 4.3750 4.5134 4.5134 4.6837 4.6837 7.1200 7.1200 8.2983 8.2983 8.7666 8.7666 8.9560 8.9560 k = 0.1628-0.0000 0.1974 ( 5826 PWs) bands (ev): -8.7737 -8.7737 -7.9416 -7.9416 -7.1762 -7.1762 -6.8598 -6.8598 0.6466 0.6466 1.2843 1.2843 1.3688 1.3688 1.5860 1.5860 2.6201 2.6201 2.9415 2.9415 3.1491 3.1491 3.5063 3.5063 3.5944 3.5944 4.3507 4.3507 4.4998 4.4998 4.6774 4.6774 7.1934 7.1934 8.3049 8.3049 8.7492 8.7492 8.9490 8.9490 k = 0.1744-0.0000 0.1974 ( 5820 PWs) bands (ev): -8.7547 -8.7547 -7.9400 -7.9400 -7.1608 -7.1608 -6.8508 -6.8508 0.6851 0.6851 1.2936 1.2936 1.3796 1.3796 1.5798 1.5798 2.6156 2.6156 2.9184 2.9184 3.1440 3.1440 3.4256 3.4256 3.5311 3.5311 4.3330 4.3330 4.4885 4.4885 4.6758 4.6758 7.2661 7.2661 8.3073 8.3073 8.7169 8.7169 8.9400 8.9400 k = 0.1860-0.0000 0.1974 ( 5820 PWs) bands (ev): -8.7348 -8.7348 -7.9388 -7.9388 -7.1444 -7.1444 -6.8413 -6.8413 0.7261 0.7261 1.3037 1.3037 1.3917 1.3917 1.5741 1.5741 2.5952 2.5952 2.8912 2.8912 3.1449 3.1449 3.3434 3.3434 3.4734 3.4734 4.3207 4.3207 4.4801 4.4801 4.6773 4.6773 7.3377 7.3377 8.3062 8.3062 8.6714 8.6714 8.9299 8.9299 k = 0.1977-0.0000 0.1974 ( 5810 PWs) bands (ev): -8.7142 -8.7142 -7.9380 -7.9380 -7.1271 -7.1271 -6.8313 -6.8313 0.7694 0.7694 1.3145 1.3145 1.4051 1.4051 1.5691 1.5691 2.5577 2.5577 2.8568 2.8568 3.1500 3.1500 3.2729 3.2729 3.4161 3.4161 4.3129 4.3129 4.4752 4.4752 4.6804 4.6804 7.4080 7.4080 8.3020 8.3020 8.6152 8.6152 8.9193 8.9193 k = 0.2093-0.0000 0.1974 ( 5808 PWs) bands (ev): -8.6928 -8.6928 -7.9378 -7.9378 -7.1088 -7.1088 -6.8210 -6.8210 0.8149 0.8149 1.3260 1.3260 1.4200 1.4200 1.5647 1.5647 2.5054 2.5054 2.8088 2.8088 3.1568 3.1568 3.2240 3.2240 3.3591 3.3591 4.3083 4.3083 4.4738 4.4738 4.6843 4.6843 7.4767 7.4767 8.2953 8.2953 8.5512 8.5512 8.9085 8.9085 k = 0.2209-0.0000 0.1974 ( 5816 PWs) bands (ev): -8.6708 -8.6708 -7.9380 -7.9380 -7.0896 -7.0896 -6.8104 -6.8104 0.8623 0.8623 1.3382 1.3382 1.4362 1.4362 1.5608 1.5608 2.4424 2.4424 2.7434 2.7434 3.1581 3.1581 3.2029 3.2029 3.3052 3.3052 4.3059 4.3059 4.4757 4.4757 4.6882 4.6882 7.5436 7.5436 8.2866 8.2866 8.4823 8.4823 8.8977 8.8977 k = 0.2326-0.0000 0.1974 ( 5792 PWs) bands (ev): -8.6483 -8.6483 -7.9388 -7.9388 -7.0696 -7.0696 -6.7994 -6.7994 0.9114 0.9114 1.3511 1.3511 1.4537 1.4537 1.5572 1.5572 2.3725 2.3725 2.6637 2.6637 3.1465 3.1465 3.2024 3.2024 3.2647 3.2647 4.3046 4.3046 4.4807 4.4807 4.6916 4.6916 7.6085 7.6085 8.2758 8.2758 8.4116 8.4116 8.8867 8.8867 k = 0.2442-0.0000 0.1974 ( 5804 PWs) bands (ev): -8.6253 -8.6253 -7.9403 -7.9403 -7.0489 -7.0489 -6.7882 -6.7882 0.9619 0.9619 1.3646 1.3646 1.4725 1.4725 1.5535 1.5535 2.2992 2.2992 2.5754 2.5754 3.1154 3.1154 3.2023 3.2023 3.2573 3.2573 4.3037 4.3037 4.4884 4.4884 4.6943 4.6943 7.6712 7.6712 8.2607 8.2607 8.3435 8.3435 8.8756 8.8756 k = 0.2558-0.0000 0.1974 ( 5814 PWs) bands (ev): -8.6019 -8.6019 -7.9423 -7.9423 -7.0275 -7.0275 -6.7769 -6.7769 1.0134 1.0134 1.3789 1.3789 1.4923 1.4923 1.5494 1.5494 2.2250 2.2250 2.4837 2.4837 3.0648 3.0648 3.2051 3.2051 3.2747 3.2747 4.3024 4.3024 4.4985 4.4985 4.6961 4.6961 7.7315 7.7315 8.2301 8.2301 8.2909 8.2909 8.8642 8.8642 k = 0.2674-0.0000 0.1974 ( 5822 PWs) bands (ev): -8.5782 -8.5782 -7.9451 -7.9451 -7.0057 -7.0057 -6.7654 -6.7654 1.0652 1.0652 1.3938 1.3938 1.5127 1.5127 1.5441 1.5441 2.1527 2.1527 2.3921 2.3921 3.0057 3.0057 3.2124 3.2124 3.3006 3.3006 4.3000 4.3000 4.5105 4.5105 4.6971 4.6971 7.7893 7.7893 8.1734 8.1734 8.2660 8.2660 8.8524 8.8524 k = 0.2791-0.0000 0.1974 ( 5818 PWs) bands (ev): -8.5543 -8.5543 -7.9485 -7.9485 -6.9834 -6.9834 -6.7539 -6.7539 1.1164 1.1164 1.4096 1.4096 1.5302 1.5302 1.5401 1.5401 2.0846 2.0846 2.3033 2.3033 2.9438 2.9438 3.2211 3.2211 3.3302 3.3302 4.2960 4.2960 4.5242 4.5242 4.6976 4.6976 7.8443 7.8443 8.1085 8.1085 8.2515 8.2515 8.8401 8.8401 k = 0.2907-0.0000 0.1974 ( 5828 PWs) bands (ev): -8.5303 -8.5303 -7.9526 -7.9526 -6.9609 -6.9609 -6.7424 -6.7424 1.1657 1.1657 1.4262 1.4262 1.5222 1.5222 1.5581 1.5581 2.0234 2.0234 2.2197 2.2197 2.8809 2.8809 3.2294 3.2294 3.3616 3.3616 4.2897 4.2897 4.5390 4.5390 4.6979 4.6979 7.8958 7.8958 8.0451 8.0451 8.2390 8.2390 8.8273 8.8273 k = 0.3023-0.0000 0.1974 ( 5836 PWs) bands (ev): -8.5062 -8.5062 -7.9574 -7.9574 -6.9381 -6.9381 -6.7310 -6.7310 1.2112 1.2112 1.4437 1.4437 1.5047 1.5047 1.5805 1.5805 1.9718 1.9718 2.1434 2.1434 2.8180 2.8180 3.2362 3.2362 3.3938 3.3938 4.2809 4.2809 4.5547 4.5547 4.6983 4.6983 7.9387 7.9387 7.9907 7.9907 8.2264 8.2264 8.8138 8.8138 k = 0.3140-0.0000 0.1974 ( 5848 PWs) bands (ev): -8.4822 -8.4822 -7.9628 -7.9628 -6.9153 -6.9153 -6.7198 -6.7198 1.2503 1.2503 1.4617 1.4617 1.4800 1.4800 1.6039 1.6039 1.9322 1.9322 2.0770 2.0770 2.7555 2.7555 3.2404 3.2404 3.4263 3.4263 4.2693 4.2693 4.5710 4.5710 4.6992 4.6992 7.9176 7.9176 8.0014 8.0014 8.2126 8.2126 8.7995 8.7995 k = 0.3256-0.0000 0.1974 ( 5852 PWs) bands (ev): -8.4582 -8.4582 -7.9690 -7.9690 -6.8927 -6.8927 -6.7090 -6.7090 1.2795 1.2795 1.4462 1.4462 1.4821 1.4821 1.6284 1.6284 1.9056 1.9056 2.0234 2.0234 2.6939 2.6939 3.2416 3.2416 3.4585 3.4585 4.2549 4.2549 4.5876 4.5876 4.7008 4.7008 7.8677 7.8677 8.0423 8.0423 8.1973 8.1973 8.7845 8.7845 k = 0.3372-0.0000 0.1974 ( 5864 PWs) bands (ev): -8.4345 -8.4345 -7.9760 -7.9760 -6.8702 -6.8702 -6.6985 -6.6985 1.2952 1.2952 1.4069 1.4069 1.5022 1.5022 1.6548 1.6548 1.8910 1.8910 1.9862 1.9862 2.6332 2.6332 3.2391 3.2391 3.4903 3.4903 4.2376 4.2376 4.6042 4.6042 4.7034 4.7034 7.8208 7.8208 8.0807 8.0807 8.1813 8.1813 8.7687 8.7687 k = 0.3488-0.0000 0.1974 ( 5858 PWs) bands (ev): -8.4109 -8.4109 -7.9836 -7.9836 -6.8481 -6.8481 -6.6885 -6.6885 1.2947 1.2947 1.3634 1.3634 1.5231 1.5231 1.6833 1.6833 1.8847 1.8847 1.9691 1.9691 2.5738 2.5738 3.2323 3.2323 3.5215 3.5215 4.2179 4.2179 4.6206 4.6206 4.7068 4.7068 7.7788 7.7788 8.1088 8.1088 8.1703 8.1703 8.7522 8.7522 k = 0.3605-0.0000 0.1974 ( 5862 PWs) bands (ev): -8.3876 -8.3876 -7.9919 -7.9919 -6.8266 -6.8266 -6.6792 -6.6792 1.2776 1.2776 1.3192 1.3192 1.5448 1.5448 1.7131 1.7131 1.8822 1.8822 1.9745 1.9745 2.5157 2.5157 3.2209 3.2209 3.5519 3.5519 4.1960 4.1960 4.6366 4.6366 4.7111 4.7111 7.7424 7.7424 8.1086 8.1086 8.1821 8.1821 8.7348 8.7349 k = 0.3721-0.0000 0.1974 ( 5858 PWs) bands (ev): -8.3646 -8.3646 -8.0009 -8.0009 -6.8057 -6.8057 -6.6705 -6.6705 1.2456 1.2456 1.2777 1.2777 1.5675 1.5675 1.7425 1.7425 1.8822 1.8822 1.9999 1.9999 2.4590 2.4590 3.2043 3.2043 3.5815 3.5815 4.1724 4.1724 4.6521 4.6521 4.7161 4.7161 7.7116 7.7116 8.0864 8.0864 8.2103 8.2103 8.7168 8.7168 k = 0.3837-0.0000 0.1974 ( 5854 PWs) bands (ev): -8.3421 -8.3421 -8.0106 -8.0106 -6.7855 -6.7855 -6.6627 -6.6627 1.2051 1.2051 1.2380 1.2380 1.5912 1.5912 1.7704 1.7704 1.8851 1.8851 2.0403 2.0403 2.4039 2.4039 3.1825 3.1825 3.6104 3.6104 4.1475 4.1475 4.6668 4.6668 4.7216 4.7216 7.6865 7.6865 8.0568 8.0568 8.2410 8.2410 8.6981 8.6981 k = 0.3953-0.0000 0.1974 ( 5848 PWs) bands (ev): -8.3199 -8.3199 -8.0210 -8.0210 -6.7663 -6.7663 -6.6558 -6.6558 1.1632 1.1632 1.1984 1.1984 1.6161 1.6161 1.7961 1.7961 1.8905 1.8905 2.0911 2.0911 2.3506 2.3506 3.1551 3.1551 3.6386 3.6386 4.1218 4.1218 4.6807 4.6807 4.7273 4.7273 7.6672 7.6672 8.0236 8.0236 8.2710 8.2710 8.6789 8.6789 k = 0.4070-0.0000 0.1974 ( 5836 PWs) bands (ev): -8.2983 -8.2983 -8.0320 -8.0320 -6.7480 -6.7480 -6.6499 -6.6499 1.1232 1.1232 1.1590 1.1590 1.6422 1.6422 1.8196 1.8196 1.8974 1.8974 2.1488 2.1488 2.2995 2.2995 3.1223 3.1223 3.6662 3.6662 4.0955 4.0955 4.6936 4.6936 4.7330 4.7330 7.6535 7.6535 7.9883 7.9883 8.2996 8.2997 8.6592 8.6592 k = 0.4186-0.0000 0.1974 ( 5832 PWs) bands (ev): -8.2771 -8.2771 -8.0438 -8.0438 -6.7310 -6.7310 -6.6451 -6.6451 1.0867 1.0867 1.1212 1.1212 1.6693 1.6693 1.8410 1.8410 1.9047 1.9047 2.2074 2.2074 2.2544 2.2544 3.0841 3.0841 3.6934 3.6934 4.0689 4.0689 4.7054 4.7054 4.7384 4.7384 7.6454 7.6454 7.9518 7.9518 8.3269 8.3269 8.6390 8.6390 k = 0.4302-0.0000 0.1974 ( 5820 PWs) bands (ev): -8.2564 -8.2564 -8.0562 -8.0562 -6.7151 -6.7151 -6.6416 -6.6416 1.0545 1.0545 1.0862 1.0862 1.6975 1.6975 1.8605 1.8605 1.9117 1.9117 2.1964 2.1964 2.2841 2.2841 3.0408 3.0408 3.7203 3.7203 4.0420 4.0420 4.7160 4.7160 4.7433 4.7433 7.6425 7.6425 7.9150 7.9150 8.3529 8.3529 8.6185 8.6185 k = 0.4419-0.0000 0.1974 ( 5828 PWs) bands (ev): -8.2363 -8.2363 -8.0694 -8.0694 -6.7006 -6.7006 -6.6394 -6.6394 1.0271 1.0271 1.0548 1.0548 1.7266 1.7266 1.8776 1.8776 1.9180 1.9180 2.1525 2.1525 2.3511 2.3511 2.9927 2.9927 3.7470 3.7470 4.0151 4.0151 4.7255 4.7255 4.7475 4.7475 7.6447 7.6447 7.8785 7.8785 8.3778 8.3778 8.5978 8.5978 k = 0.4535-0.0000 0.1974 ( 5832 PWs) bands (ev): -8.2168 -8.2168 -8.0831 -8.0831 -6.6876 -6.6876 -6.6386 -6.6386 1.0048 1.0048 1.0278 1.0278 1.7565 1.7565 1.8911 1.8911 1.9241 1.9241 2.1098 2.1098 2.4204 2.4204 2.9403 2.9403 3.7736 3.7736 3.9882 3.9882 4.7336 4.7336 4.7509 4.7509 7.6516 7.6516 7.8430 7.8430 8.4017 8.4017 8.5768 8.5768 k = 0.4651-0.0000 0.1974 ( 5836 PWs) bands (ev): -8.1979 -8.1979 -8.0976 -8.0976 -6.6760 -6.6760 -6.6393 -6.6393 0.9880 0.9880 1.0057 1.0057 1.7866 1.7866 1.8982 1.8982 1.9323 1.9323 2.0700 2.0700 2.4903 2.4903 2.8838 2.8838 3.8003 3.8003 3.9612 3.9612 4.7405 4.7405 4.7531 4.7531 7.6631 7.6631 7.8091 7.8091 8.4249 8.4249 8.5557 8.5557 k = 0.4767-0.0000 0.1974 ( 5826 PWs) bands (ev): -8.1796 -8.1796 -8.1127 -8.1127 -6.6659 -6.6659 -6.6414 -6.6414 0.9768 0.9768 0.9888 0.9888 1.8164 1.8164 1.8966 1.8966 1.9443 1.9443 2.0342 2.0342 2.5599 2.5599 2.8240 2.8240 3.8269 3.8269 3.9343 3.9343 4.7459 4.7459 4.7543 4.7543 7.6788 7.6788 7.7773 7.7773 8.4475 8.4475 8.5344 8.5344 k = 0.4884-0.0000 0.1974 ( 5818 PWs) bands (ev): -8.1619 -8.1619 -8.1284 -8.1284 -6.6574 -6.6574 -6.6452 -6.6452 0.9712 0.9712 0.9773 0.9773 1.8443 1.8443 1.8864 1.8864 1.9597 1.9597 2.0037 2.0037 2.6286 2.6286 2.7611 2.7611 3.8537 3.8537 3.9074 3.9074 4.7500 4.7500 4.7542 4.7542 7.6984 7.6984 7.7480 7.7480 8.4696 8.4696 8.5130 8.5130 k = 0.5000-0.0000 0.1974 ( 5820 PWs) bands (ev): -8.1449 -8.1449 -8.1449 -8.1449 -6.6505 -6.6505 -6.6505 -6.6505 0.9714 0.9714 0.9714 0.9714 1.8684 1.8684 1.8684 1.8684 1.9791 1.9791 1.9791 1.9791 2.6958 2.6958 2.6958 2.6958 3.8805 3.8805 3.8805 3.8805 4.7528 4.7528 4.7528 4.7528 7.7216 7.7216 7.7216 7.7216 8.4914 8.4914 8.4914 8.4914 k = 0.5000-0.0000 0.1974 ( 5820 PWs) bands (ev): -8.1449 -8.1449 -8.1449 -8.1449 -6.6505 -6.6505 -6.6505 -6.6505 0.9714 0.9714 0.9714 0.9714 1.8684 1.8684 1.8684 1.8684 1.9791 1.9791 1.9791 1.9791 2.6958 2.6958 2.6958 2.6958 3.8805 3.8805 3.8805 3.8805 4.7528 4.7528 4.7528 4.7528 7.7216 7.7216 7.7216 7.7216 8.4914 8.4914 8.4914 8.4914 k = 0.5000 0.0116 0.1974 ( 5816 PWs) bands (ev): -8.1445 -8.1445 -8.1435 -8.1435 -6.6502 -6.6502 -6.6501 -6.6501 0.9712 0.9712 0.9717 0.9717 1.8654 1.8654 1.8683 1.8683 1.9743 1.9743 1.9803 1.9803 2.6959 2.6959 2.6966 2.6966 3.8823 3.8823 3.8853 3.8853 4.7492 4.7492 4.7502 4.7502 7.7213 7.7213 7.7235 7.7235 8.4906 8.4906 8.4923 8.4923 k = 0.5000 0.0232 0.1974 ( 5820 PWs) bands (ev): -8.1426 -8.1426 -8.1405 -8.1405 -6.6493 -6.6493 -6.6492 -6.6492 0.9712 0.9712 0.9721 0.9721 1.8590 1.8590 1.8644 1.8644 1.9667 1.9667 1.9783 1.9783 2.6967 2.6967 2.6981 2.6981 3.8906 3.8906 3.8967 3.8967 4.7396 4.7396 4.7414 4.7414 7.7227 7.7227 7.7271 7.7271 8.4898 8.4898 8.4931 8.4931 k = 0.5000 0.0348 0.1974 ( 5820 PWs) bands (ev): -8.1389 -8.1389 -8.1358 -8.1358 -6.6478 -6.6478 -6.6476 -6.6476 0.9711 0.9711 0.9726 0.9726 1.8486 1.8486 1.8557 1.8557 1.9579 1.9579 1.9741 1.9741 2.6983 2.6983 2.7004 2.7004 3.9052 3.9052 3.9141 3.9141 4.7238 4.7238 4.7267 4.7267 7.7258 7.7258 7.7322 7.7322 8.4888 8.4888 8.4941 8.4941 k = 0.5000 0.0464 0.1974 ( 5824 PWs) bands (ev): -8.1336 -8.1336 -8.1294 -8.1294 -6.6458 -6.6458 -6.6455 -6.6455 0.9710 0.9710 0.9731 0.9731 1.8333 1.8333 1.8408 1.8408 1.9500 1.9500 1.9691 1.9691 2.7003 2.7003 2.7032 2.7032 3.9255 3.9255 3.9369 3.9369 4.7024 4.7024 4.7063 4.7063 7.7304 7.7304 7.7386 7.7386 8.4876 8.4876 8.4950 8.4950 k = 0.5000 0.0580 0.1974 ( 5848 PWs) bands (ev): -8.1267 -8.1267 -8.1215 -8.1215 -6.6431 -6.6431 -6.6427 -6.6427 0.9707 0.9707 0.9735 0.9735 1.8127 1.8127 1.8190 1.8190 1.9446 1.9446 1.9648 1.9648 2.7028 2.7028 2.7066 2.7066 3.9507 3.9507 3.9645 3.9645 4.6754 4.6754 4.6805 4.6805 7.7364 7.7364 7.7462 7.7462 8.4858 8.4858 8.4957 8.4957 k = 0.5000 0.0696 0.1974 ( 5852 PWs) bands (ev): -8.1182 -8.1182 -8.1121 -8.1121 -6.6398 -6.6398 -6.6394 -6.6394 0.9700 0.9700 0.9736 0.9736 1.7867 1.7867 1.7910 1.7910 1.9420 1.9420 1.9619 1.9619 2.7056 2.7056 2.7103 2.7103 3.9799 3.9799 3.9958 3.9958 4.6434 4.6434 4.6498 4.6498 7.7437 7.7437 7.7547 7.7547 8.4827 8.4827 8.4960 8.4960 k = 0.5000 0.0812 0.1974 ( 5852 PWs) bands (ev): -8.1082 -8.1082 -8.1011 -8.1011 -6.6360 -6.6360 -6.6356 -6.6356 0.9688 0.9688 0.9734 0.9734 1.7562 1.7562 1.7583 1.7583 1.9416 1.9416 1.9608 1.9608 2.7085 2.7085 2.7142 2.7142 4.0122 4.0122 4.0299 4.0299 4.6068 4.6068 4.6147 4.6147 7.7520 7.7520 7.7640 7.7640 8.4774 8.4774 8.4953 8.4953 k = 0.5000 0.0928 0.1974 ( 5852 PWs) bands (ev): -8.0967 -8.0967 -8.0887 -8.0887 -6.6317 -6.6317 -6.6312 -6.6312 0.9666 0.9666 0.9724 0.9724 1.7222 1.7222 1.7225 1.7225 1.9431 1.9431 1.9614 1.9614 2.7114 2.7114 2.7182 2.7182 4.0464 4.0464 4.0657 4.0657 4.5662 4.5662 4.5757 4.5757 7.7611 7.7611 7.7736 7.7736 8.4680 8.4680 8.4922 8.4922 k = 0.5000 0.1044 0.1974 ( 5848 PWs) bands (ev): -8.0838 -8.0838 -8.0749 -8.0749 -6.6269 -6.6269 -6.6263 -6.6263 0.9633 0.9633 0.9706 0.9706 1.6851 1.6851 1.6859 1.6859 1.9461 1.9461 1.9636 1.9636 2.7144 2.7144 2.7224 2.7224 4.0813 4.0813 4.1020 4.1020 4.5224 4.5224 4.5335 4.5335 7.7707 7.7707 7.7834 7.7834 8.4512 8.4512 8.4844 8.4844 k = 0.5000 0.1161 0.1974 ( 5844 PWs) bands (ev): -8.0695 -8.0695 -8.0598 -8.0598 -6.6216 -6.6216 -6.6209 -6.6209 0.9584 0.9584 0.9673 0.9673 1.6473 1.6473 1.6486 1.6486 1.9502 1.9502 1.9672 1.9672 2.7172 2.7172 2.7266 2.7266 4.1156 4.1156 4.1373 4.1373 4.4764 4.4764 4.4892 4.4892 7.7804 7.7804 7.7930 7.7930 8.4227 8.4227 8.4675 8.4675 k = 0.5000 0.1277 0.1974 ( 5832 PWs) bands (ev): -8.0540 -8.0540 -8.0435 -8.0435 -6.6158 -6.6158 -6.6151 -6.6151 0.9514 0.9514 0.9623 0.9623 1.6103 1.6103 1.6114 1.6114 1.9555 1.9555 1.9722 1.9722 2.7200 2.7200 2.7308 2.7308 4.1475 4.1475 4.1695 4.1695 4.4298 4.4298 4.4439 4.4439 7.7901 7.7901 7.8022 7.8022 8.3785 8.3785 8.4357 8.4357 k = 0.5000 0.1393 0.1974 ( 5824 PWs) bands (ev): -8.0373 -8.0373 -8.0260 -8.0260 -6.6096 -6.6096 -6.6088 -6.6088 0.9418 0.9418 0.9551 0.9551 1.5752 1.5752 1.5754 1.5754 1.9619 1.9619 1.9785 1.9785 2.7226 2.7226 2.7350 2.7350 4.1742 4.1742 4.1950 4.1950 4.3859 4.3859 4.4000 4.4000 7.7993 7.7993 7.8106 7.8106 8.3190 8.3190 8.3857 8.3857 k = 0.5000 0.1509 0.1974 ( 5820 PWs) bands (ev): -8.0195 -8.0195 -8.0075 -8.0075 -6.6030 -6.6030 -6.6022 -6.6022 0.9293 0.9293 0.9451 0.9451 1.5415 1.5415 1.5429 1.5429 1.9693 1.9693 1.9861 1.9861 2.7250 2.7250 2.7392 2.7392 4.1905 4.1905 4.2057 4.2057 4.3525 4.3525 4.3623 4.3623 7.8076 7.8076 7.8180 7.8180 8.2484 8.2484 8.3204 8.3204 k = 0.5000 0.1625 0.1974 ( 5816 PWs) bands (ev): -8.0006 -8.0006 -7.9881 -7.9881 -6.5961 -6.5961 -6.5952 -6.5952 0.9134 0.9134 0.9320 0.9320 1.5109 1.5109 1.5142 1.5142 1.9779 1.9779 1.9950 1.9950 2.7273 2.7273 2.7434 2.7434 4.1876 4.1876 4.1901 4.1901 4.3394 4.3394 4.3406 4.3406 7.8146 7.8146 7.8241 7.8241 8.1719 8.1719 8.2459 8.2459 k = 0.5000 0.1741 0.1974 ( 5828 PWs) bands (ev): -7.9810 -7.9810 -7.9679 -7.9679 -6.5889 -6.5889 -6.5880 -6.5880 0.8940 0.8940 0.9152 0.9152 1.4840 1.4840 1.4897 1.4897 1.9876 1.9876 2.0053 2.0053 2.7292 2.7292 2.7475 2.7475 4.1512 4.1512 4.1613 4.1613 4.3349 4.3349 4.3469 4.3469 7.8197 7.8197 7.8287 7.8287 8.0938 8.0938 8.1676 8.1676 k = 0.5000 0.1857 0.1974 ( 5828 PWs) bands (ev): -7.9605 -7.9605 -7.9470 -7.9470 -6.5814 -6.5814 -6.5805 -6.5805 0.8709 0.8709 0.8948 0.8948 1.4615 1.4615 1.4696 1.4696 1.9985 1.9985 2.0171 2.0171 2.7309 2.7309 2.7515 2.7515 4.1013 4.1013 4.1198 4.1198 4.3405 4.3405 4.3589 4.3589 7.8216 7.8216 7.8315 7.8315 8.0181 8.0181 8.0893 8.0893 k = 0.5000 0.1973 0.1974 ( 5832 PWs) bands (ev): -7.9394 -7.9394 -7.9255 -7.9255 -6.5737 -6.5737 -6.5728 -6.5728 0.8444 0.8444 0.8706 0.8706 1.4435 1.4435 1.4540 1.4540 2.0107 2.0107 2.0303 2.0303 2.7323 2.7323 2.7555 2.7555 4.0471 4.0471 4.0715 4.0715 4.3475 4.3475 4.3695 4.3695 7.8176 7.8176 7.8322 7.8322 7.9494 7.9494 8.0136 8.0136 k = 0.5000 0.2089 0.1974 ( 5832 PWs) bands (ev): -7.9178 -7.9178 -7.9035 -7.9035 -6.5659 -6.5659 -6.5649 -6.5649 0.8150 0.8150 0.8431 0.8431 1.4299 1.4299 1.4426 1.4426 2.0241 2.0241 2.0451 2.0451 2.7333 2.7333 2.7595 2.7595 3.9914 3.9914 4.0208 4.0208 4.3514 4.3514 4.3760 4.3760 7.7992 7.7992 7.8299 7.8299 7.8974 7.8974 7.9430 7.9430 k = 0.5000 0.2205 0.1974 ( 5832 PWs) bands (ev): -7.8957 -7.8957 -7.8813 -7.8813 -6.5579 -6.5579 -6.5569 -6.5569 0.7831 0.7831 0.8127 0.8127 1.4203 1.4203 1.4350 1.4350 2.0390 2.0390 2.0615 2.0615 2.7338 2.7338 2.7635 2.7635 3.9353 3.9353 3.9694 3.9694 4.3502 4.3502 4.3770 4.3770 7.7585 7.7585 7.8206 7.8206 7.8713 7.8713 7.8825 7.8825 k = 0.5000 0.2321 0.1974 ( 5828 PWs) bands (ev): -7.8735 -7.8735 -7.8589 -7.8589 -6.5499 -6.5499 -6.5489 -6.5489 0.7495 0.7495 0.7801 0.7801 1.4145 1.4145 1.4308 1.4308 2.0552 2.0552 2.0796 2.0796 2.7339 2.7339 2.7674 2.7674 3.8797 3.8797 3.9186 3.9186 4.3429 4.3429 4.3716 4.3716 7.7068 7.7068 7.7899 7.7899 7.8475 7.8475 7.8603 7.8603 k = 0.5000 0.2437 0.1974 ( 5816 PWs) bands (ev): -7.8511 -7.8511 -7.8365 -7.8365 -6.5418 -6.5418 -6.5408 -6.5408 0.7148 0.7148 0.7459 0.7459 1.4116 1.4116 1.4293 1.4293 2.0729 2.0729 2.0995 2.0995 2.7334 2.7334 2.7713 2.7713 3.8251 3.8251 3.8691 3.8691 4.3290 4.3290 4.3595 4.3595 7.6558 7.6558 7.7421 7.7421 7.8343 7.8343 7.8537 7.8537 k = 0.5000 0.2553 0.1974 ( 5816 PWs) bands (ev): -7.8288 -7.8288 -7.8143 -7.8143 -6.5338 -6.5338 -6.5328 -6.5328 0.6795 0.6795 0.7107 0.7107 1.4113 1.4113 1.4300 1.4300 2.0922 2.0922 2.1212 2.1212 2.7323 2.7323 2.7752 2.7752 3.7719 3.7719 3.8213 3.8213 4.3082 4.3082 4.3407 4.3407 7.6094 7.6094 7.6953 7.6953 7.8252 7.8252 7.8476 7.8476 k = 0.5000 0.2669 0.1974 ( 5816 PWs) bands (ev): -7.8066 -7.8066 -7.7923 -7.7923 -6.5259 -6.5259 -6.5249 -6.5249 0.6443 0.6443 0.6752 0.6752 1.4130 1.4130 1.4324 1.4324 2.1129 2.1129 2.1448 2.1448 2.7305 2.7305 2.7792 2.7792 3.7204 3.7204 3.7756 3.7756 4.2808 4.2808 4.3153 4.3153 7.5690 7.5690 7.6540 7.6540 7.8161 7.8161 7.8410 7.8410 k = 0.5000 0.2785 0.1974 ( 5816 PWs) bands (ev): -7.7848 -7.7848 -7.7707 -7.7707 -6.5181 -6.5181 -6.5172 -6.5172 0.6096 0.6096 0.6399 0.6399 1.4162 1.4162 1.4361 1.4361 2.1351 2.1351 2.1704 2.1704 2.7280 2.7280 2.7832 2.7832 3.6708 3.6708 3.7324 3.7324 4.2468 4.2468 4.2836 4.2836 7.5351 7.5351 7.6189 7.6189 7.8060 7.8060 7.8334 7.8334 k = 0.5000 0.2901 0.1974 ( 5816 PWs) bands (ev): -7.7634 -7.7634 -7.7497 -7.7497 -6.5105 -6.5105 -6.5096 -6.5096 0.5758 0.5758 0.6052 0.6052 1.4206 1.4206 1.4407 1.4407 2.1588 2.1588 2.1978 2.1978 2.7246 2.7246 2.7873 2.7873 3.6235 3.6235 3.6920 3.6920 4.2069 4.2069 4.2461 4.2461 7.5076 7.5076 7.5903 7.5903 7.7950 7.7950 7.8247 7.8247 k = 0.5000 0.3017 0.1974 ( 5816 PWs) bands (ev): -7.7427 -7.7427 -7.7295 -7.7295 -6.5032 -6.5032 -6.5023 -6.5023 0.5433 0.5433 0.5715 0.5715 1.4258 1.4258 1.4459 1.4459 2.1839 2.1839 2.2272 2.2272 2.7205 2.7205 2.7915 2.7915 3.5785 3.5785 3.6547 3.6547 4.1617 4.1617 4.2036 4.2036 7.4864 7.4864 7.5677 7.5677 7.7829 7.7829 7.8150 7.8150 k = 0.5000 0.3133 0.1974 ( 5820 PWs) bands (ev): -7.7228 -7.7228 -7.7101 -7.7101 -6.4961 -6.4961 -6.4953 -6.4953 0.5123 0.5123 0.5392 0.5392 1.4315 1.4315 1.4513 1.4513 2.2103 2.2103 2.2585 2.2585 2.7154 2.7154 2.7958 2.7958 3.5362 3.5362 3.6206 3.6206 4.1119 4.1119 4.1569 4.1569 7.4710 7.4710 7.5510 7.5510 7.7699 7.7699 7.8042 7.8042 k = 0.5000 0.3249 0.1974 ( 5824 PWs) bands (ev): -7.7038 -7.7038 -7.6918 -7.6918 -6.4895 -6.4895 -6.4887 -6.4887 0.4832 0.4832 0.5085 0.5085 1.4375 1.4375 1.4568 1.4568 2.2379 2.2379 2.2916 2.2916 2.7093 2.7093 2.8001 2.8001 3.4967 3.4967 3.5898 3.5898 4.0585 4.0585 4.1069 4.1069 7.4609 7.4609 7.5394 7.5394 7.7560 7.7560 7.7926 7.7926 k = 0.5000 0.3365 0.1974 ( 5824 PWs) bands (ev): -7.6858 -7.6858 -7.6745 -7.6745 -6.4832 -6.4832 -6.4825 -6.4825 0.4561 0.4561 0.4797 0.4797 1.4436 1.4436 1.4622 1.4622 2.2664 2.2664 2.3262 2.3262 2.7023 2.7023 2.8043 2.8043 3.4603 3.4603 3.5625 3.5625 4.0024 4.0024 4.0546 4.0546 7.4557 7.4557 7.5325 7.5325 7.7414 7.7414 7.7801 7.7801 k = 0.5000 0.3482 0.1974 ( 5820 PWs) bands (ev): -7.6690 -7.6690 -7.6586 -7.6586 -6.4773 -6.4773 -6.4767 -6.4767 0.4312 0.4312 0.4529 0.4529 1.4497 1.4497 1.4673 1.4673 2.2956 2.2956 2.3623 2.3623 2.6944 2.6944 2.8082 2.8082 3.4272 3.4272 3.5387 3.5387 3.9447 3.9447 4.0011 4.0011 7.4546 7.4546 7.5297 7.5297 7.7262 7.7262 7.7669 7.7669 k = 0.5000 0.3598 0.1974 ( 5816 PWs) bands (ev): -7.6535 -7.6535 -7.6441 -7.6441 -6.4720 -6.4720 -6.4714 -6.4714 0.4088 0.4088 0.4284 0.4284 1.4555 1.4555 1.4719 1.4719 2.3253 2.3253 2.3995 2.3995 2.6857 2.6857 2.8114 2.8114 3.3980 3.3980 3.5182 3.5182 3.8865 3.8865 3.9473 3.9473 7.4572 7.4572 7.5303 7.5303 7.7105 7.7105 7.7530 7.7530 k = 0.5000 0.3714 0.1974 ( 5832 PWs) bands (ev): -7.6395 -7.6395 -7.6310 -7.6310 -6.4671 -6.4671 -6.4666 -6.4666 0.3888 0.3888 0.4063 0.4063 1.4611 1.4611 1.4760 1.4760 2.3551 2.3551 2.4372 2.4372 2.6763 2.6763 2.8134 2.8134 3.3732 3.3732 3.5008 3.5008 3.8294 3.8294 3.8945 3.8945 7.4629 7.4629 7.5338 7.5338 7.6946 7.6946 7.7387 7.7387 k = 0.5000 0.3830 0.1974 ( 5832 PWs) bands (ev): -7.6270 -7.6270 -7.6196 -7.6196 -6.4629 -6.4629 -6.4624 -6.4624 0.3715 0.3715 0.3867 0.3867 1.4662 1.4662 1.4795 1.4795 2.3847 2.3847 2.4747 2.4747 2.6668 2.6668 2.8134 2.8134 3.3535 3.3535 3.4858 3.4858 3.7748 3.7748 3.8436 3.8436 7.4712 7.4712 7.5395 7.5395 7.6787 7.6787 7.7240 7.7240 k = 0.5000 0.3946 0.1974 ( 5828 PWs) bands (ev): -7.6162 -7.6162 -7.6099 -7.6099 -6.4592 -6.4592 -6.4588 -6.4588 0.3569 0.3569 0.3697 0.3697 1.4709 1.4709 1.4823 1.4823 2.4136 2.4136 2.5102 2.5102 2.6582 2.6582 2.8105 2.8105 3.3398 3.3398 3.4724 3.4724 3.7249 3.7249 3.7957 3.7957 7.4817 7.4817 7.5466 7.5466 7.6633 7.6633 7.7091 7.7091 k = 0.5000 0.4062 0.1974 ( 5824 PWs) bands (ev): -7.6071 -7.6071 -7.6020 -7.6020 -6.4562 -6.4562 -6.4558 -6.4558 0.3451 0.3451 0.3555 0.3555 1.4750 1.4750 1.4844 1.4844 2.4414 2.4414 2.5406 2.5406 2.6532 2.6532 2.8038 2.8038 3.3329 3.3329 3.4587 3.4587 3.6825 3.6825 3.7518 3.7518 7.4937 7.4937 7.5541 7.5541 7.6491 7.6491 7.6942 7.6942 k = 0.5000 0.4178 0.1974 ( 5820 PWs) bands (ev): -7.5998 -7.5998 -7.5959 -7.5959 -6.4537 -6.4537 -6.4535 -6.4535 0.3362 0.3362 0.3440 0.3440 1.4786 1.4786 1.4857 1.4857 2.4680 2.4680 2.5593 2.5593 2.6578 2.6578 2.7924 2.7924 3.3335 3.3335 3.4427 3.4427 3.6509 3.6509 3.7129 3.7129 7.5069 7.5069 7.5602 7.5602 7.6376 7.6376 7.6794 7.6794 k = 0.5000 0.4294 0.1974 ( 5808 PWs) bands (ev): -7.5943 -7.5943 -7.5917 -7.5917 -6.4520 -6.4520 -6.4518 -6.4518 0.3302 0.3302 0.3354 0.3354 1.4815 1.4815 1.4863 1.4863 2.4927 2.4927 2.5615 2.5615 2.6758 2.6758 2.7759 2.7759 3.3416 3.3416 3.4230 3.4230 3.6326 3.6326 3.6798 3.6798 7.5208 7.5208 7.5621 7.5621 7.6314 7.6314 7.6651 7.6651 k = 0.5000 0.4410 0.1974 ( 5820 PWs) bands (ev): -7.5908 -7.5908 -7.5895 -7.5895 -6.4509 -6.4509 -6.4508 -6.4508 0.3271 0.3271 0.3297 0.3297 1.4838 1.4838 1.4862 1.4862 2.5154 2.5154 2.5516 2.5516 2.7018 2.7018 2.7546 2.7546 3.3566 3.3566 3.4001 3.4001 3.6281 3.6281 3.6537 3.6537 7.5346 7.5346 7.5575 7.5575 7.6327 7.6327 7.6517 7.6517 k = 0.5000 0.4526 0.1974 ( 5824 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3269 0.3269 0.3269 0.3269 1.4853 1.4853 1.4853 1.4853 2.5354 2.5354 2.5354 2.5354 2.7293 2.7293 2.7293 2.7293 3.3770 3.3770 3.3770 3.3770 3.6359 3.6359 3.6359 3.6359 7.5475 7.5475 7.5475 7.5475 7.6403 7.6403 7.6403 7.6403 k = 0.5000 0.4526 0.1974 ( 5824 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3269 0.3269 0.3269 0.3269 1.4853 1.4853 1.4853 1.4853 2.5354 2.5354 2.5354 2.5354 2.7293 2.7293 2.7293 2.7293 3.3770 3.3770 3.3770 3.3770 3.6359 3.6359 3.6359 3.6359 7.5475 7.5475 7.5475 7.5475 7.6403 7.6403 7.6403 7.6403 k = 0.4884 0.4526 0.1974 ( 5828 PWs) bands (ev): -7.5904 -7.5904 -7.5887 -7.5887 -6.4514 -6.4514 -6.4513 -6.4513 0.3275 0.3275 0.3289 0.3289 1.4833 1.4833 1.4916 1.4916 2.5188 2.5188 2.5420 2.5420 2.7180 2.7180 2.7451 2.7451 3.3668 3.3668 3.3794 3.3794 3.6341 3.6341 3.6446 3.6446 7.5261 7.5261 7.5523 7.5523 7.6369 7.6369 7.6637 7.6637 k = 0.4767 0.4526 0.1974 ( 5840 PWs) bands (ev): -7.5924 -7.5924 -7.5890 -7.5890 -6.4540 -6.4540 -6.4536 -6.4536 0.3306 0.3306 0.3333 0.3333 1.4853 1.4853 1.5019 1.5019 2.4958 2.4958 2.5360 2.5360 2.7139 2.7139 2.7616 2.7616 3.3503 3.3503 3.3745 3.3745 3.6392 3.6392 3.6587 3.6587 7.5003 7.5003 7.5368 7.5368 7.6572 7.6572 7.6947 7.6947 k = 0.4651 0.4526 0.1974 ( 5840 PWs) bands (ev): -7.5953 -7.5953 -7.5902 -7.5902 -6.4581 -6.4581 -6.4576 -6.4576 0.3363 0.3363 0.3402 0.3402 1.4913 1.4913 1.5164 1.5164 2.4690 2.4690 2.5183 2.5183 2.7159 2.7159 2.7757 2.7757 3.3299 3.3299 3.3643 3.3643 3.6498 3.6498 3.6764 3.6764 7.4746 7.4746 7.5140 7.5140 7.6880 7.6880 7.7288 7.7288 k = 0.4535 0.4526 0.1974 ( 5848 PWs) bands (ev): -7.5989 -7.5989 -7.5922 -7.5922 -6.4637 -6.4637 -6.4631 -6.4631 0.3444 0.3444 0.3493 0.3493 1.5013 1.5013 1.5350 1.5350 2.4403 2.4403 2.4921 2.4921 2.7201 2.7201 2.7851 2.7851 3.3077 3.3077 3.3514 3.3514 3.6639 3.6639 3.6959 3.6959 7.4503 7.4503 7.4904 7.4904 7.7224 7.7224 7.7641 7.7641 k = 0.4419 0.4526 0.1974 ( 5848 PWs) bands (ev): -7.6033 -7.6033 -7.5950 -7.5950 -6.4708 -6.4708 -6.4701 -6.4701 0.3549 0.3549 0.3607 0.3607 1.5151 1.5151 1.5578 1.5578 2.4109 2.4109 2.4609 2.4609 2.7228 2.7228 2.7880 2.7880 3.2858 3.2858 3.3384 3.3384 3.6797 3.6797 3.7160 3.7160 7.4281 7.4281 7.4680 7.4680 7.7581 7.7581 7.7998 7.7998 k = 0.4302 0.4526 0.1974 ( 5852 PWs) bands (ev): -7.6086 -7.6086 -7.5987 -7.5987 -6.4793 -6.4793 -6.4785 -6.4785 0.3676 0.3676 0.3739 0.3739 1.5325 1.5325 1.5845 1.5845 2.3819 2.3819 2.4269 2.4269 2.7211 2.7211 2.7834 2.7834 3.2655 3.2655 3.3270 3.3270 3.6963 3.6963 3.7359 3.7359 7.4081 7.4081 7.4474 7.4474 7.7940 7.7940 7.8352 7.8352 k = 0.4186 0.4526 0.1974 ( 5852 PWs) bands (ev): -7.6145 -7.6145 -7.6032 -7.6032 -6.4892 -6.4892 -6.4882 -6.4882 0.3824 0.3824 0.3890 0.3890 1.5533 1.5533 1.6152 1.6152 2.3539 2.3539 2.3915 2.3915 2.7135 2.7135 2.7710 2.7710 3.2479 3.2479 3.3180 3.3180 3.7128 3.7128 3.7553 3.7553 7.3904 7.3904 7.4289 7.4289 7.8293 7.8293 7.8696 7.8696 k = 0.4070 0.4526 0.1974 ( 5848 PWs) bands (ev): -7.6213 -7.6213 -7.6085 -7.6085 -6.5002 -6.5002 -6.4991 -6.4991 0.3991 0.3991 0.4057 0.4057 1.5769 1.5769 1.6495 1.6495 2.3280 2.3280 2.3557 2.3557 2.6995 2.6995 2.7510 2.7510 3.2332 3.2332 3.3112 3.3112 3.7290 3.7290 3.7740 3.7740 7.3750 7.3750 7.4127 7.4127 7.8634 7.8634 7.9025 7.9025 k = 0.3953 0.4526 0.1974 ( 5832 PWs) bands (ev): -7.6288 -7.6288 -7.6147 -7.6147 -6.5122 -6.5122 -6.5111 -6.5111 0.4176 0.4176 0.4238 0.4238 1.6027 1.6027 1.6872 1.6872 2.3049 2.3049 2.3202 2.3202 2.6791 2.6791 2.7245 2.7245 3.2211 3.2211 3.3058 3.3058 3.7448 3.7448 3.7920 3.7920 7.3621 7.3621 7.3987 7.3987 7.8958 7.8958 7.9334 7.9334 k = 0.3837 0.4526 0.1974 ( 5828 PWs) bands (ev): -7.6371 -7.6371 -7.6217 -7.6217 -6.5252 -6.5252 -6.5240 -6.5240 0.4378 0.4378 0.4432 0.4432 1.6297 1.6297 1.7277 1.7277 2.2856 2.2856 2.2857 2.2857 2.6533 2.6533 2.6927 2.6927 3.2108 3.2108 3.3008 3.3008 3.7602 3.7602 3.8094 3.8094 7.3514 7.3514 7.3869 7.3869 7.9261 7.9261 7.9620 7.9620 k = 0.3721 0.4526 0.1974 ( 5828 PWs) bands (ev): -7.6461 -7.6461 -7.6296 -7.6296 -6.5390 -6.5390 -6.5378 -6.5378 0.4594 0.4594 0.4636 0.4636 1.6568 1.6568 1.7701 1.7701 2.2531 2.2531 2.2713 2.2713 2.6234 2.6234 2.6571 2.6571 3.2012 3.2012 3.2949 3.2949 3.7754 3.7754 3.8263 3.8263 7.3431 7.3431 7.3774 7.3774 7.9538 7.9538 7.9880 7.9880 k = 0.3605 0.4526 0.1974 ( 5828 PWs) bands (ev): -7.6559 -7.6559 -7.6383 -7.6383 -6.5535 -6.5535 -6.5522 -6.5522 0.4823 0.4823 0.4850 0.4850 1.6824 1.6824 1.8129 1.8129 2.2234 2.2234 2.2630 2.2630 2.5909 2.5909 2.6194 2.6194 3.1914 3.1914 3.2874 3.2874 3.7903 3.7903 3.8429 3.8429 7.3372 7.3372 7.3701 7.3701 7.9789 7.9789 8.0112 8.0112 k = 0.3488 0.4526 0.1974 ( 5828 PWs) bands (ev): -7.6663 -7.6663 -7.6478 -7.6478 -6.5685 -6.5685 -6.5672 -6.5672 0.5064 0.5064 0.5072 0.5072 1.7047 1.7047 1.8537 1.8537 2.1982 2.1982 2.2617 2.2617 2.5578 2.5578 2.5813 2.5813 3.1804 3.1804 3.2775 3.2775 3.8050 3.8050 3.8594 3.8594 7.3335 7.3335 7.3652 7.3652 8.0011 8.0011 8.0316 8.0316 k = 0.3372 0.4526 0.1974 ( 5820 PWs) bands (ev): -7.6774 -7.6774 -7.6581 -7.6581 -6.5839 -6.5839 -6.5827 -6.5827 0.5302 0.5302 0.5317 0.5317 1.7222 1.7222 1.8886 1.8886 2.1797 2.1797 2.2672 2.2672 2.5264 2.5264 2.5453 2.5453 3.1675 3.1675 3.2649 3.2649 3.8193 3.8193 3.8759 3.8759 7.3323 7.3323 7.3624 7.3624 8.0204 8.0204 8.0492 8.0492 k = 0.3256 0.4526 0.1974 ( 5816 PWs) bands (ev): -7.6892 -7.6892 -7.6691 -7.6691 -6.5996 -6.5996 -6.5984 -6.5984 0.5538 0.5538 0.5579 0.5579 1.7336 1.7336 1.9125 1.9125 2.1706 2.1706 2.2769 2.2769 2.4997 2.4997 2.5154 2.5154 3.1524 3.1524 3.2496 3.2496 3.8332 3.8332 3.8924 3.8924 7.3334 7.3334 7.3620 7.3620 8.0368 8.0368 8.0641 8.0641 k = 0.3140 0.4526 0.1974 ( 5816 PWs) bands (ev): -7.7016 -7.7016 -7.6809 -7.6809 -6.6154 -6.6154 -6.6143 -6.6143 0.5782 0.5782 0.5851 0.5851 1.7388 1.7388 1.9216 1.9216 2.1702 2.1702 2.2843 2.2843 2.4825 2.4825 2.4985 2.4985 3.1351 3.1351 3.2318 3.2318 3.8464 3.8464 3.9089 3.9089 7.3370 7.3370 7.3639 7.3639 8.0506 8.0506 8.0766 8.0766 k = 0.3023 0.4526 0.1974 ( 5812 PWs) bands (ev): -7.7145 -7.7145 -7.6934 -7.6934 -6.6313 -6.6313 -6.6302 -6.6302 0.6032 0.6032 0.6133 0.6133 1.7381 1.7381 1.9166 1.9166 2.1722 2.1722 2.2801 2.2801 2.4803 2.4803 2.5031 2.5031 3.1159 3.1159 3.2123 3.2123 3.8587 3.8587 3.9255 3.9255 7.3429 7.3429 7.3680 7.3680 8.0618 8.0618 8.0867 8.0867 k = 0.2907 0.4526 0.1974 ( 5820 PWs) bands (ev): -7.7279 -7.7279 -7.7065 -7.7065 -6.6470 -6.6470 -6.6461 -6.6461 0.6290 0.6290 0.6423 0.6423 1.7324 1.7324 1.9014 1.9014 2.1679 2.1679 2.2610 2.2610 2.4972 2.4972 2.5309 2.5309 3.0954 3.0954 3.1921 3.1921 3.8699 3.8699 3.9422 3.9422 7.3513 7.3513 7.3743 7.3743 8.0708 8.0708 8.0949 8.0949 k = 0.2791 0.4526 0.1974 ( 5820 PWs) bands (ev): -7.7418 -7.7418 -7.7202 -7.7202 -6.6626 -6.6626 -6.6618 -6.6618 0.6555 0.6555 0.6723 0.6723 1.7229 1.7229 1.8802 1.8802 2.1536 2.1536 2.2317 2.2317 2.5314 2.5314 2.5746 2.5746 3.0749 3.0749 3.1729 3.1729 3.8799 3.8799 3.9589 3.9589 7.3619 7.3619 7.3828 7.3828 8.0778 8.0778 8.1014 8.1014 k = 0.2674 0.4526 0.1974 ( 5836 PWs) bands (ev): -7.7560 -7.7560 -7.7343 -7.7343 -6.6779 -6.6779 -6.6772 -6.6772 0.6828 0.6828 0.7031 0.7031 1.7105 1.7105 1.8556 1.8556 2.1314 2.1314 2.1975 2.1975 2.5762 2.5762 2.6251 2.6251 3.0567 3.0567 3.1577 3.1577 3.8885 3.8885 3.9758 3.9758 7.3746 7.3746 7.3932 7.3932 8.0831 8.0831 8.1066 8.1066 k = 0.2558 0.4526 0.1974 ( 5824 PWs) bands (ev): -7.7706 -7.7706 -7.7489 -7.7489 -6.6928 -6.6928 -6.6923 -6.6923 0.7110 0.7110 0.7349 0.7349 1.6961 1.6961 1.8292 1.8292 2.1046 2.1046 2.1616 2.1616 2.6227 2.6227 2.6741 2.6741 3.0446 3.0446 3.1509 3.1509 3.8959 3.8959 3.9931 3.9931 7.3893 7.3893 7.4055 7.4055 8.0871 8.0871 8.1109 8.1109 k = 0.2442 0.4526 0.1974 ( 5824 PWs) bands (ev): -7.7854 -7.7854 -7.7639 -7.7639 -6.7073 -6.7073 -6.7070 -6.7070 0.7401 0.7401 0.7676 0.7676 1.6802 1.6802 1.8018 1.8018 2.0757 2.0757 2.1256 2.1256 2.6614 2.6614 2.7127 2.7127 3.0446 3.0446 3.1590 3.1590 3.9018 3.9018 4.0111 4.0111 7.4056 7.4056 7.4193 7.4193 8.0903 8.0903 8.1148 8.1148 k = 0.2326 0.4526 0.1974 ( 5816 PWs) bands (ev): -7.8003 -7.8003 -7.7791 -7.7791 -6.7214 -6.7214 -6.7212 -6.7212 0.7701 0.7701 0.8014 0.8014 1.6634 1.6634 1.7738 1.7738 2.0464 2.0464 2.0905 2.0905 2.6831 2.6831 2.7336 2.7336 3.0630 3.0630 3.1880 3.1880 3.9066 3.9066 4.0300 4.0300 7.4231 7.4231 7.4344 7.4344 8.0931 8.0931 8.1188 8.1188 k = 0.2209 0.4526 0.1974 ( 5820 PWs) bands (ev): -7.8152 -7.8152 -7.7944 -7.7944 -6.7348 -6.7348 -6.7348 -6.7348 0.8013 0.8013 0.8361 0.8361 1.6459 1.6459 1.7457 1.7457 2.0177 2.0177 2.0568 2.0568 2.6841 2.6841 2.7340 2.7340 3.1020 3.1020 3.2394 3.2394 3.9105 3.9105 4.0505 4.0505 7.4415 7.4415 7.4503 7.4503 8.0958 8.0958 8.1232 8.1232 k = 0.2093 0.4526 0.1974 ( 5808 PWs) bands (ev): -7.8301 -7.8301 -7.8098 -7.8098 -6.7479 -6.7479 -6.7477 -6.7477 0.8335 0.8335 0.8720 0.8720 1.6281 1.6281 1.7177 1.7177 1.9902 1.9902 2.0248 2.0248 2.6670 2.6670 2.7171 2.7171 3.1572 3.1572 3.3090 3.3090 3.9138 3.9138 4.0732 4.0732 7.4603 7.4603 7.4667 7.4667 8.0989 8.0989 8.1285 8.1285 k = 0.1977 0.4526 0.1974 ( 5812 PWs) bands (ev): -7.8448 -7.8448 -7.8252 -7.8252 -6.7603 -6.7603 -6.7600 -6.7600 0.8669 0.8669 0.9089 0.9089 1.6102 1.6102 1.6899 1.6899 1.9643 1.9643 1.9949 1.9949 2.6374 2.6374 2.6879 2.6879 3.2216 3.2216 3.3905 3.3905 3.9172 3.9172 4.0989 4.0989 7.4790 7.4790 7.4831 7.4831 8.1028 8.1028 8.1353 8.1353 k = 0.1860 0.4526 0.1974 ( 5808 PWs) bands (ev): -7.8593 -7.8593 -7.8404 -7.8404 -6.7721 -6.7721 -6.7717 -6.7717 0.9014 0.9014 0.9469 0.9469 1.5923 1.5923 1.6626 1.6626 1.9400 1.9400 1.9672 1.9672 2.5997 2.5997 2.6505 2.6505 3.2893 3.2893 3.4784 3.4784 3.9218 3.9218 4.1287 4.1287 7.4970 7.4970 7.4990 7.4990 8.1077 8.1077 8.1439 8.1439 k = 0.1744 0.4526 0.1974 ( 5812 PWs) bands (ev): -7.8735 -7.8735 -7.8554 -7.8554 -6.7832 -6.7832 -6.7827 -6.7827 0.9372 0.9372 0.9861 0.9861 1.5746 1.5746 1.6360 1.6360 1.9175 1.9175 1.9416 1.9416 2.5566 2.5566 2.6076 2.6076 3.3562 3.3562 3.5673 3.5673 3.9301 3.9301 4.1634 4.1634 7.5139 7.5139 7.5139 7.5139 8.1139 8.1139 8.1544 8.1544 k = 0.1628 0.4526 0.1974 ( 5812 PWs) bands (ev): -7.8872 -7.8872 -7.8700 -7.8700 -6.7936 -6.7936 -6.7930 -6.7930 0.9741 0.9741 1.0265 1.0265 1.5573 1.5573 1.6102 1.6102 1.8967 1.8967 1.9182 1.9182 2.5098 2.5098 2.5607 2.5607 3.4193 3.4193 3.6507 3.6507 3.9463 3.9463 4.2039 4.2039 7.5276 7.5276 7.5291 7.5291 8.1216 8.1216 8.1671 8.1671 k = 0.1512 0.4526 0.1974 ( 5804 PWs) bands (ev): -7.9004 -7.9004 -7.8841 -7.8841 -6.8034 -6.8034 -6.8026 -6.8026 1.0122 1.0122 1.0679 1.0679 1.5407 1.5407 1.5854 1.5854 1.8776 1.8776 1.8970 1.8970 2.4604 2.4604 2.5110 2.5110 3.4765 3.4765 3.7194 3.7194 3.9782 3.9782 4.2508 4.2508 7.5397 7.5397 7.5425 7.5425 8.1305 8.1305 8.1817 8.1817 k = 0.1395 0.4526 0.1974 ( 5808 PWs) bands (ev): -7.9130 -7.9130 -7.8977 -7.8977 -6.8124 -6.8124 -6.8115 -6.8115 1.0514 1.0514 1.1105 1.1105 1.5249 1.5249 1.5618 1.5618 1.8601 1.8601 1.8779 1.8779 2.4091 2.4091 2.4592 2.4592 3.5266 3.5266 3.7648 3.7648 4.0334 4.0334 4.3041 4.3041 7.5499 7.5499 7.5539 7.5539 8.1403 8.1403 8.1980 8.1980 k = 0.1279 0.4526 0.1974 ( 5812 PWs) bands (ev): -7.9248 -7.9248 -7.9106 -7.9106 -6.8206 -6.8206 -6.8198 -6.8198 1.0916 1.0916 1.1541 1.1541 1.5102 1.5102 1.5395 1.5395 1.8441 1.8441 1.8607 1.8607 2.3566 2.3566 2.4060 2.4060 3.5692 3.5692 3.7882 3.7882 4.1092 4.1092 4.3629 4.3629 7.5583 7.5583 7.5631 7.5631 8.1508 8.1508 8.2154 8.2154 k = 0.1163 0.4526 0.1974 ( 5820 PWs) bands (ev): -7.9359 -7.9359 -7.9228 -7.9228 -6.8282 -6.8282 -6.8273 -6.8273 1.1326 1.1326 1.1987 1.1987 1.4969 1.4969 1.5189 1.5189 1.8293 1.8293 1.8454 1.8454 2.3033 2.3033 2.3517 2.3517 3.6047 3.6047 3.7979 3.7979 4.1965 4.1965 4.4258 4.4258 7.5649 7.5649 7.5703 7.5703 8.1611 8.1611 8.2328 8.2328 k = 0.1047 0.4526 0.1974 ( 5812 PWs) bands (ev): -7.9461 -7.9461 -7.9342 -7.9342 -6.8350 -6.8350 -6.8341 -6.8341 1.1741 1.1741 1.2440 1.2440 1.4854 1.4854 1.4999 1.4999 1.8156 1.8156 1.8318 1.8318 2.2497 2.2497 2.2968 2.2968 3.6338 3.6338 3.8003 3.8003 4.2877 4.2877 4.4911 4.4911 7.5698 7.5698 7.5756 7.5756 8.1707 8.1707 8.2493 8.2493 k = 0.0930 0.4526 0.1974 ( 5800 PWs) bands (ev): -7.9553 -7.9553 -7.9446 -7.9446 -6.8411 -6.8411 -6.8402 -6.8402 1.2156 1.2156 1.2897 1.2897 1.4762 1.4762 1.4831 1.4831 1.8029 1.8029 1.8196 1.8196 2.1963 2.1963 2.2417 2.2417 3.6576 3.6576 3.7990 3.7990 4.3784 4.3784 4.5564 4.5564 7.5733 7.5733 7.5793 7.5793 8.1787 8.1787 8.2632 8.2632 k = 0.0814 0.4526 0.1974 ( 5800 PWs) bands (ev): -7.9636 -7.9636 -7.9541 -7.9541 -6.8464 -6.8464 -6.8456 -6.8456 1.2563 1.2563 1.3350 1.3350 1.4691 1.4691 1.4701 1.4701 1.7906 1.7906 1.8087 1.8087 2.1439 2.1439 2.1869 2.1869 3.6771 3.6771 3.7954 3.7954 4.4656 4.4656 4.6195 4.6195 7.5756 7.5756 7.5816 7.5816 8.1848 8.1848 8.2731 8.2731 k = 0.0698 0.4526 0.1974 ( 5804 PWs) bands (ev): -7.9707 -7.9707 -7.9626 -7.9626 -6.8510 -6.8510 -6.8503 -6.8503 1.2945 1.2945 1.3771 1.3771 1.4605 1.4605 1.4687 1.4687 1.7786 1.7786 1.7988 1.7988 2.0930 2.0930 2.1330 2.1330 3.6931 3.6931 3.7906 3.7906 4.5474 4.5474 4.6783 4.6783 7.5769 7.5769 7.5827 7.5827 8.1887 8.1887 8.2773 8.2773 k = 0.0581 0.4526 0.1974 ( 5804 PWs) bands (ev): -7.9768 -7.9768 -7.9699 -7.9699 -6.8549 -6.8549 -6.8543 -6.8543 1.3276 1.3276 1.4054 1.4054 1.4676 1.4676 1.4745 1.4745 1.7660 1.7660 1.7892 1.7892 2.0449 2.0449 2.0807 2.0807 3.7064 3.7064 3.7850 3.7850 4.6219 4.6219 4.7305 4.7305 7.5775 7.5775 7.5829 7.5829 8.1907 8.1907 8.2749 8.2749 k = 0.0465 0.4526 0.1974 ( 5804 PWs) bands (ev): -7.9816 -7.9816 -7.9761 -7.9761 -6.8581 -6.8581 -6.8576 -6.8576 1.3524 1.3524 1.4099 1.4099 1.4902 1.4902 1.4997 1.4997 1.7521 1.7521 1.7793 1.7793 2.0012 2.0012 2.0315 2.0315 3.7178 3.7178 3.7789 3.7789 4.6875 4.6875 4.7743 4.7743 7.5778 7.5778 7.5826 7.5826 8.1916 8.1916 8.2663 8.2663 k = 0.0349 0.4526 0.1974 ( 5808 PWs) bands (ev): -7.9853 -7.9853 -7.9812 -7.9812 -6.8605 -6.8605 -6.8601 -6.8601 1.3681 1.3681 1.4052 1.4052 1.5161 1.5161 1.5410 1.5410 1.7361 1.7361 1.7677 1.7677 1.9639 1.9639 1.9871 1.9871 3.7277 3.7277 3.7726 3.7726 4.7427 4.7427 4.8079 4.8079 7.5779 7.5779 7.5818 7.5818 8.1928 8.1928 8.2530 8.2530 k = 0.0233 0.4526 0.1974 ( 5812 PWs) bands (ev): -7.9877 -7.9877 -7.9850 -7.9850 -6.8623 -6.8623 -6.8620 -6.8620 1.3772 1.3772 1.3991 1.3991 1.5485 1.5485 1.5805 1.5805 1.7185 1.7185 1.7525 1.7525 1.9357 1.9357 1.9508 1.9508 3.7365 3.7365 3.7659 3.7659 4.7863 4.7863 4.8298 4.8298 7.5781 7.5781 7.5808 7.5808 8.1955 8.1955 8.2376 8.2376 k = 0.0116 0.4526 0.1974 ( 5804 PWs) bands (ev): -7.9889 -7.9889 -7.9876 -7.9876 -6.8633 -6.8633 -6.8631 -6.8631 1.3832 1.3832 1.3934 1.3934 1.5816 1.5816 1.6079 1.6079 1.7057 1.7057 1.7327 1.7327 1.9189 1.9189 1.9260 1.9260 3.7445 3.7445 3.7591 3.7591 4.8173 4.8173 4.8390 4.8390 7.5784 7.5784 7.5798 7.5798 8.2011 8.2011 8.2226 8.2226 k = 0.0000 0.4526 0.1974 ( 5808 PWs) bands (ev): -7.9889 -7.9889 -7.9889 -7.9889 -6.8636 -6.8636 -6.8636 -6.8636 1.3883 1.3883 1.3883 1.3883 1.6068 1.6068 1.6068 1.6068 1.7121 1.7121 1.7121 1.7121 1.9153 1.9153 1.9153 1.9153 3.7520 3.7520 3.7520 3.7520 4.8349 4.8349 4.8349 4.8349 7.5790 7.5790 7.5790 7.5790 8.2101 8.2101 8.2101 8.2101 k = 0.0000 0.4526 0.1974 ( 5808 PWs) bands (ev): -7.9889 -7.9889 -7.9889 -7.9889 -6.8636 -6.8636 -6.8636 -6.8636 1.3883 1.3883 1.3883 1.3883 1.6068 1.6068 1.6068 1.6068 1.7121 1.7121 1.7121 1.7121 1.9153 1.9153 1.9153 1.9153 3.7520 3.7520 3.7520 3.7520 4.8349 4.8349 4.8349 4.8349 7.5790 7.5790 7.5790 7.5790 8.2101 8.2101 8.2101 8.2101 k = 0.0000 0.4410 0.1974 ( 5808 PWs) bands (ev): -8.0114 -8.0114 -7.9679 -7.9679 -6.8712 -6.8712 -6.8567 -6.8567 1.3788 1.3788 1.3931 1.3931 1.5834 1.5834 1.6179 1.6179 1.6531 1.6531 1.7777 1.7777 1.9033 1.9033 1.9460 1.9460 3.7343 3.7343 3.7700 3.7700 4.8309 4.8309 4.8386 4.8386 7.5713 7.5713 7.5894 7.5894 8.1678 8.1678 8.2539 8.2539 k = 0.0000 0.4294 0.1974 ( 5808 PWs) bands (ev): -8.0353 -8.0353 -7.9484 -7.9484 -6.8797 -6.8797 -6.8507 -6.8507 1.3628 1.3628 1.3923 1.3923 1.5518 1.5518 1.5743 1.5743 1.6665 1.6665 1.8227 1.8227 1.9025 1.9025 2.0054 2.0054 3.7170 3.7170 3.7885 3.7885 4.8267 4.8267 4.8420 4.8420 7.5659 7.5659 7.6028 7.6028 8.1274 8.1274 8.2987 8.2987 k = 0.0000 0.4178 0.1974 ( 5816 PWs) bands (ev): -8.0606 -8.0606 -7.9306 -7.9306 -6.8890 -6.8890 -6.8455 -6.8455 1.3316 1.3316 1.3861 1.3861 1.5086 1.5086 1.5517 1.5517 1.6939 1.6939 1.8478 1.8478 1.9099 1.9099 2.0901 2.0901 3.7001 3.7001 3.8075 3.8075 4.8222 4.8222 4.8451 4.8451 7.5625 7.5625 7.6195 7.6195 8.0894 8.0894 8.3439 8.3439 k = 0.0000 0.4062 0.1974 ( 5830 PWs) bands (ev): -8.0872 -8.0872 -7.9144 -7.9144 -6.8991 -6.8991 -6.8411 -6.8411 1.2789 1.2789 1.3788 1.3788 1.4809 1.4809 1.5386 1.5386 1.7237 1.7237 1.8645 1.8645 1.9234 1.9234 2.1883 2.1883 3.6835 3.6835 3.8272 3.8272 4.8176 4.8176 4.8479 4.8479 7.5605 7.5605 7.6397 7.6397 8.0541 8.0541 8.3886 8.3886 k = 0.0000 0.3946 0.1974 ( 5828 PWs) bands (ev): -8.1149 -8.1149 -7.8999 -7.8999 -6.9098 -6.9098 -6.8376 -6.8376 1.2127 1.2127 1.3732 1.3732 1.4632 1.4632 1.5312 1.5312 1.7549 1.7549 1.8804 1.8804 1.9411 1.9411 2.2933 2.2933 3.6674 3.6674 3.8476 3.8476 4.8128 4.8128 4.8504 4.8504 7.5595 7.5595 7.6635 7.6635 8.0220 8.0220 8.4298 8.4298 k = 0.0000 0.3830 0.1974 ( 5820 PWs) bands (ev): -8.1437 -8.1437 -7.8871 -7.8871 -6.9213 -6.9213 -6.8348 -6.8348 1.1424 1.1424 1.3695 1.3695 1.4479 1.4479 1.5281 1.5281 1.7873 1.7873 1.8986 1.8986 1.9621 1.9621 2.4019 2.4019 3.6517 3.6517 3.8691 3.8691 4.8080 4.8080 4.8525 4.8525 7.5590 7.5590 7.6911 7.6911 7.9937 7.9937 8.4508 8.4508 k = 0.0000 0.3714 0.1974 ( 5818 PWs) bands (ev): -8.1734 -8.1734 -7.8759 -7.8759 -6.9334 -6.9334 -6.8329 -6.8329 1.0722 1.0722 1.3676 1.3676 1.4330 1.4330 1.5271 1.5271 1.8209 1.8209 1.9203 1.9203 1.9860 1.9860 2.5125 2.5125 3.6367 3.6367 3.8917 3.8917 4.8031 4.8031 4.8544 4.8544 7.5586 7.5586 7.7225 7.7225 7.9697 7.9697 8.4251 8.4251 k = 0.0000 0.3598 0.1974 ( 5818 PWs) bands (ev): -8.2040 -8.2040 -7.8664 -7.8664 -6.9461 -6.9461 -6.8317 -6.8317 1.0042 1.0042 1.3675 1.3675 1.4183 1.4183 1.5264 1.5264 1.8554 1.8554 1.9458 1.9458 2.0127 2.0127 2.6237 2.6237 3.6225 3.6225 3.9157 3.9157 4.7982 4.7982 4.8559 4.8559 7.5577 7.5577 7.7578 7.7578 7.9503 7.9503 8.3810 8.3810 k = 0.0000 0.3482 0.1974 ( 5808 PWs) bands (ev): -8.2353 -8.2353 -7.8585 -7.8585 -6.9593 -6.9593 -6.8312 -6.8312 0.9393 0.9393 1.3691 1.3691 1.4042 1.4042 1.5252 1.5252 1.8909 1.8909 1.9750 1.9750 2.0421 2.0421 2.7344 2.7344 3.6093 3.6093 3.9416 3.9416 4.7935 4.7935 4.8572 4.8572 7.5561 7.5561 7.7970 7.7970 7.9359 7.9359 8.3309 8.3309 k = 0.0000 0.3365 0.1974 ( 5818 PWs) bands (ev): -8.2672 -8.2672 -7.8523 -7.8523 -6.9731 -6.9731 -6.8314 -6.8314 0.8780 0.8780 1.3722 1.3722 1.3909 1.3909 1.5229 1.5229 1.9273 1.9273 2.0077 2.0077 2.0742 2.0742 2.8436 2.8436 3.5973 3.5973 3.9696 3.9696 4.7890 4.7890 4.8583 4.8583 7.5539 7.5539 7.8398 7.8398 7.9267 7.9267 8.2769 8.2769 k = 0.0000 0.3249 0.1974 ( 5830 PWs) bands (ev): -8.2996 -8.2996 -7.8475 -7.8475 -6.9872 -6.9872 -6.8323 -6.8323 0.8204 0.8204 1.3766 1.3766 1.3785 1.3785 1.5196 1.5196 1.9643 1.9643 2.0433 2.0433 2.1089 2.1089 2.9500 2.9500 3.5868 3.5868 4.0003 4.0003 4.7847 4.7847 4.8591 4.8591 7.5512 7.5512 7.8858 7.8858 7.9228 7.9228 8.2196 8.2196 k = 0.0000 0.3133 0.1974 ( 5834 PWs) bands (ev): -8.3323 -8.3323 -7.8443 -7.8443 -7.0017 -7.0017 -6.8338 -6.8338 0.7668 0.7668 1.3667 1.3667 1.3825 1.3825 1.5152 1.5152 2.0018 2.0018 2.0816 2.0816 2.1460 2.1460 3.0525 3.0525 3.5783 3.5783 4.0339 4.0339 4.7807 4.7807 4.8598 4.8598 7.5486 7.5486 7.9205 7.9205 7.9381 7.9381 8.1593 8.1593 k = 0.0000 0.3017 0.1974 ( 5830 PWs) bands (ev): -8.3652 -8.3652 -7.8425 -7.8425 -7.0165 -7.0165 -6.8358 -6.8358 0.7172 0.7172 1.3560 1.3560 1.3894 1.3894 1.5099 1.5099 2.0395 2.0395 2.1222 2.1222 2.1853 2.1853 3.1496 3.1496 3.5723 3.5723 4.0711 4.0711 4.7772 4.7772 4.8604 4.8604 7.5468 7.5468 7.9262 7.9262 7.9893 7.9893 8.0963 8.0963 k = 0.0000 0.2901 0.1974 ( 5822 PWs) bands (ev): -8.3982 -8.3982 -7.8421 -7.8421 -7.0315 -7.0315 -6.8384 -6.8384 0.6715 0.6715 1.3461 1.3461 1.3971 1.3971 1.5040 1.5040 2.0773 2.0773 2.1648 2.1648 2.2264 2.2264 3.2397 3.2397 3.5697 3.5697 4.1121 4.1121 4.7742 4.7742 4.8608 4.8608 7.5467 7.5467 7.9343 7.9343 8.0267 8.0267 8.0481 8.0481 k = 0.0000 0.2785 0.1974 ( 5820 PWs) bands (ev): -8.4311 -8.4311 -7.8429 -7.8429 -7.0466 -7.0466 -6.8414 -6.8414 0.6297 0.6297 1.3371 1.3371 1.4052 1.4052 1.4979 1.4979 2.1148 2.1148 2.2089 2.2089 2.2692 2.2692 3.3211 3.3211 3.5717 3.5717 4.1572 4.1572 4.7718 4.7718 4.8613 4.8613 7.5492 7.5492 7.9428 7.9428 7.9634 7.9634 8.1023 8.1023 k = 0.0000 0.2669 0.1974 ( 5808 PWs) bands (ev): -8.4638 -8.4638 -7.8449 -7.8449 -7.0617 -7.0617 -6.8449 -6.8449 0.5918 0.5918 1.3289 1.3289 1.4132 1.4132 1.4921 1.4921 2.1518 2.1518 2.2542 2.2542 2.3131 2.3131 3.3913 3.3913 3.5805 3.5805 4.2061 4.2061 4.7700 4.7700 4.8616 4.8616 7.5551 7.5551 7.8885 7.8885 7.9606 7.9606 8.1601 8.1601 k = 0.0000 0.2553 0.1974 ( 5806 PWs) bands (ev): -8.4961 -8.4961 -7.8480 -7.8480 -7.0769 -7.0769 -6.8487 -6.8487 0.5577 0.5577 1.3215 1.3215 1.4200 1.4200 1.4878 1.4878 2.1879 2.1879 2.3004 2.3004 2.3581 2.3581 3.4471 3.4471 3.5994 3.5994 4.2585 4.2585 4.7690 4.7690 4.8620 4.8620 7.5650 7.5650 7.8160 7.8160 7.9761 7.9761 8.2179 8.2179 k = 0.0000 0.2437 0.1974 ( 5796 PWs) bands (ev): -8.5280 -8.5280 -7.8520 -7.8520 -7.0919 -7.0919 -6.8528 -6.8528 0.5271 0.5271 1.3147 1.3147 1.4241 1.4241 1.4863 1.4863 2.2227 2.2227 2.3471 2.3471 2.4038 2.4038 3.4871 3.4871 3.6303 3.6303 4.3134 4.3134 4.7688 4.7688 4.8624 4.8624 7.5790 7.5790 7.7419 7.7419 7.9940 7.9940 8.2743 8.2743 k = 0.0000 0.2321 0.1974 ( 5788 PWs) bands (ev): -8.5594 -8.5594 -7.8569 -7.8569 -7.1068 -7.1068 -6.8571 -6.8571 0.5001 0.5001 1.3086 1.3086 1.4241 1.4241 1.4891 1.4891 2.2557 2.2557 2.3941 2.3941 2.4502 2.4502 3.5149 3.5149 3.6701 3.6701 4.3697 4.3697 4.7696 4.7696 4.8628 4.8628 7.5940 7.5940 7.6703 7.6703 8.0139 8.0139 8.3275 8.3275 k = 0.0000 0.2205 0.1974 ( 5778 PWs) bands (ev): -8.5900 -8.5900 -7.8625 -7.8625 -7.1214 -7.1214 -6.8617 -6.8617 0.4764 0.4764 1.3031 1.3031 1.4200 1.4200 1.4961 1.4961 2.2863 2.2863 2.4409 2.4409 2.4973 2.4973 3.5372 3.5372 3.7134 3.7134 4.4262 4.4262 4.7714 4.7714 4.8632 4.8632 7.5703 7.5703 7.6414 7.6414 8.0358 8.0358 8.3757 8.3757 k = 0.0000 0.2089 0.1974 ( 5782 PWs) bands (ev): -8.6198 -8.6198 -7.8688 -7.8688 -7.1357 -7.1357 -6.8664 -6.8664 0.4558 0.4558 1.2980 1.2980 1.4131 1.4131 1.5059 1.5059 2.3139 2.3139 2.4876 2.4876 2.5448 2.5448 3.5580 3.5580 3.7567 3.7567 4.4815 4.4815 4.7743 4.7743 4.8636 4.8636 7.4972 7.4972 7.6660 7.6660 8.0603 8.0603 8.4170 8.4170 k = 0.0000 0.1973 0.1974 ( 5782 PWs) bands (ev): -8.6487 -8.6487 -7.8756 -7.8756 -7.1496 -7.1496 -6.8712 -6.8712 0.4382 0.4382 1.2934 1.2934 1.4047 1.4047 1.5175 1.5175 2.3383 2.3383 2.5338 2.5338 2.5928 2.5928 3.5791 3.5791 3.7987 3.7987 4.5345 4.5345 4.7784 4.7784 4.8639 4.8639 7.4178 7.4178 7.7006 7.7006 8.0878 8.0878 8.4498 8.4498 k = 0.0000 0.1857 0.1974 ( 5782 PWs) bands (ev): -8.6765 -8.6765 -7.8827 -7.8827 -7.1630 -7.1630 -6.8760 -6.8760 0.4233 0.4233 1.2890 1.2890 1.3954 1.3954 1.5299 1.5299 2.3590 2.3590 2.5796 2.5796 2.6410 2.6410 3.6012 3.6012 3.8395 3.8395 4.5842 4.5842 4.7840 4.7840 4.8641 4.8641 7.3371 7.3371 7.7396 7.7396 8.1193 8.1193 8.4735 8.4735 k = 0.0000 0.1741 0.1974 ( 5786 PWs) bands (ev): -8.7032 -8.7032 -7.8902 -7.8902 -7.1760 -7.1760 -6.8808 -6.8808 0.4110 0.4110 1.2850 1.2850 1.3859 1.3859 1.5428 1.5428 2.3760 2.3760 2.6248 2.6248 2.6892 2.6892 3.6239 3.6239 3.8791 3.8791 4.6299 4.6299 4.7913 4.7913 4.8643 4.8643 7.2559 7.2559 7.7806 7.7806 8.1561 8.1561 8.4881 8.4881 k = 0.0000 0.1625 0.1974 ( 5782 PWs) bands (ev): -8.7286 -8.7286 -7.8978 -7.8978 -7.1883 -7.1883 -6.8856 -6.8856 0.4011 0.4011 1.2810 1.2810 1.3763 1.3763 1.5558 1.5558 2.3894 2.3894 2.6692 2.6692 2.7373 2.7373 3.6465 3.6465 3.9180 3.9180 4.6710 4.6710 4.8008 4.8008 4.8644 4.8644 7.1750 7.1750 7.8214 7.8214 8.1995 8.1995 8.4946 8.4946 k = 0.0000 0.1509 0.1974 ( 5784 PWs) bands (ev): -8.7527 -8.7527 -7.9054 -7.9054 -7.2001 -7.2001 -6.8902 -6.8902 0.3933 0.3933 1.2771 1.2771 1.3671 1.3671 1.5686 1.5686 2.3995 2.3995 2.7128 2.7128 2.7849 2.7849 3.6684 3.6684 3.9563 3.9563 4.7066 4.7066 4.8131 4.8131 4.8647 4.8647 7.0948 7.0948 7.8599 7.8599 8.2505 8.2505 8.4944 8.4944 k = 0.0000 0.1393 0.1974 ( 5790 PWs) bands (ev): -8.7754 -8.7754 -7.9130 -7.9130 -7.2111 -7.2111 -6.8947 -6.8947 0.3874 0.3874 1.2730 1.2730 1.3583 1.3583 1.5810 1.5810 2.4066 2.4066 2.7551 2.7551 2.8318 2.8318 3.6886 3.6886 3.9941 3.9941 4.7360 4.7360 4.8289 4.8289 4.8654 4.8654 7.0159 7.0159 7.8944 7.8944 8.3094 8.3094 8.4890 8.4890 k = 0.0000 0.1277 0.1974 ( 5778 PWs) bands (ev): -8.7966 -8.7966 -7.9204 -7.9204 -7.2215 -7.2215 -6.8990 -6.8990 0.3831 0.3831 1.2689 1.2689 1.3503 1.3503 1.5930 1.5930 2.4111 2.4111 2.7958 2.7958 2.8778 2.8778 3.7065 3.7065 4.0314 4.0314 4.7593 4.7593 4.8469 4.8469 4.8681 4.8681 6.9389 6.9389 7.9242 7.9242 8.3755 8.3755 8.4801 8.4801 k = 0.0000 0.1161 0.1974 ( 5782 PWs) bands (ev): -8.8162 -8.8162 -7.9275 -7.9275 -7.2310 -7.2310 -6.9031 -6.9031 0.3802 0.3802 1.2645 1.2645 1.3431 1.3431 1.6043 1.6043 2.4135 2.4135 2.8345 2.8345 2.9226 2.9226 3.7215 3.7215 4.0677 4.0677 4.7772 4.7772 4.8590 4.8590 4.8803 4.8803 6.8644 6.8644 7.9494 7.9494 8.4439 8.4439 8.4719 8.4719 k = 0.0000 0.1044 0.1974 ( 5794 PWs) bands (ev): -8.8341 -8.8341 -7.9343 -7.9343 -7.2398 -7.2398 -6.9068 -6.9068 0.3785 0.3785 1.2598 1.2598 1.3369 1.3369 1.6149 1.6149 2.4142 2.4142 2.8709 2.8709 2.9660 2.9660 3.7332 3.7332 4.1027 4.1027 4.7917 4.7917 4.8630 4.8630 4.9029 4.9029 6.7931 6.7931 7.9702 7.9702 8.4514 8.4514 8.5266 8.5266 k = 0.0000 0.0928 0.1974 ( 5796 PWs) bands (ev): -8.8503 -8.8503 -7.9406 -7.9406 -7.2477 -7.2477 -6.9103 -6.9103 0.3778 0.3778 1.2551 1.2551 1.3316 1.3316 1.6246 1.6246 2.4137 2.4137 2.9045 2.9045 3.0076 3.0076 3.7414 3.7414 4.1357 4.1357 4.8038 4.8038 4.8658 4.8658 4.9276 4.9276 6.7258 6.7258 7.9875 7.9875 8.4377 8.4377 8.6029 8.6029 k = 0.0000 0.0812 0.1974 ( 5804 PWs) bands (ev): -8.8647 -8.8647 -7.9463 -7.9463 -7.2548 -7.2548 -6.9135 -6.9135 0.3778 0.3778 1.2502 1.2502 1.3273 1.3273 1.6334 1.6334 2.4123 2.4123 2.9349 2.9349 3.0470 3.0470 3.7463 3.7463 4.1660 4.1660 4.8143 4.8143 4.8691 4.8691 4.9518 4.9518 6.6632 6.6632 8.0016 8.0016 8.4234 8.4234 8.6784 8.6784 k = 0.0000 0.0696 0.1974 ( 5816 PWs) bands (ev): -8.8774 -8.8774 -7.9515 -7.9515 -7.2610 -7.2610 -6.9162 -6.9162 0.3783 0.3783 1.2456 1.2456 1.3239 1.3239 1.6412 1.6412 2.4104 2.4104 2.9619 2.9619 3.0838 3.0838 3.7481 3.7481 4.1933 4.1933 4.8236 4.8236 4.8731 4.8731 4.9746 4.9746 6.6061 6.6061 8.0131 8.0131 8.4095 8.4095 8.7501 8.7501 k = 0.0000 0.0580 0.1974 ( 5814 PWs) bands (ev): -8.8881 -8.8881 -7.9559 -7.9559 -7.2662 -7.2662 -6.9186 -6.9186 0.3791 0.3791 1.2412 1.2412 1.3212 1.3212 1.6479 1.6479 2.4083 2.4083 2.9851 2.9851 3.1171 3.1171 3.7474 3.7474 4.2168 4.2168 4.8317 4.8317 4.8776 4.8776 4.9953 4.9953 6.5556 6.5556 8.0224 8.0224 8.3968 8.3968 8.8154 8.8154 k = 0.0000 0.0464 0.1974 ( 5806 PWs) bands (ev): -8.8970 -8.8970 -7.9597 -7.9597 -7.2705 -7.2705 -6.9206 -6.9206 0.3801 0.3801 1.2373 1.2373 1.3192 1.3192 1.6534 1.6534 2.4063 2.4063 3.0044 3.0044 3.1463 3.1463 3.7449 3.7449 4.2364 4.2364 4.8387 4.8387 4.8822 4.8822 5.0133 5.0133 6.5125 6.5125 8.0297 8.0297 8.3857 8.3857 8.8718 8.8718 k = 0.0000 0.0348 0.1974 ( 5802 PWs) bands (ev): -8.9039 -8.9039 -7.9626 -7.9626 -7.2739 -7.2739 -6.9222 -6.9222 0.3810 0.3810 1.2341 1.2341 1.3177 1.3177 1.6578 1.6578 2.4045 2.4045 3.0196 3.0196 3.1704 3.1704 3.7415 3.7415 4.2518 4.2518 4.8443 4.8443 4.8865 4.8865 5.0280 5.0280 6.4779 6.4779 8.0352 8.0352 8.3766 8.3766 8.9169 8.9169 k = 0.0000 0.0232 0.1974 ( 5804 PWs) bands (ev): -8.9088 -8.9088 -7.9647 -7.9647 -7.2763 -7.2763 -6.9233 -6.9233 0.3817 0.3817 1.2318 1.2318 1.3167 1.3167 1.6609 1.6609 2.4031 2.4031 3.0305 3.0305 3.1885 3.1885 3.7382 3.7382 4.2629 4.2629 4.8486 4.8486 4.8899 4.8899 5.0389 5.0389 6.4524 6.4524 8.0391 8.0391 8.3699 8.3699 8.9486 8.9486 k = 0.0000 0.0116 0.1974 ( 5800 PWs) bands (ev): -8.9118 -8.9118 -7.9660 -7.9660 -7.2778 -7.2778 -6.9240 -6.9240 0.3822 0.3822 1.2303 1.2303 1.3161 1.3161 1.6628 1.6628 2.4022 2.4022 3.0370 3.0370 3.1998 3.1998 3.7357 3.7357 4.2695 4.2695 4.8512 4.8512 4.8921 4.8921 5.0456 5.0456 6.4368 6.4368 8.0413 8.0413 8.3658 8.3658 8.9663 8.9663 k = 0.0000 0.0000 0.1974 ( 5804 PWs) bands (ev): -8.9128 -8.9128 -7.9665 -7.9665 -7.2783 -7.2783 -6.9242 -6.9242 0.3823 0.3823 1.2298 1.2298 1.3159 1.3159 1.6634 1.6634 2.4019 2.4019 3.0392 3.0392 3.2037 3.2037 3.7348 3.7348 4.2717 4.2717 4.8521 4.8521 4.8929 4.8929 5.0479 5.0479 6.4316 6.4316 8.0421 8.0421 8.3644 8.3644 8.9718 8.9718 k = 0.0000 0.4526-0.0000 ( 5846 PWs) bands (ev): -7.9892 -7.9892 -7.9892 -7.9892 -6.8628 -6.8628 -6.8628 -6.8628 1.1485 1.1485 1.1485 1.1485 1.6076 1.6076 1.6076 1.6076 1.6880 1.6880 1.6880 1.6880 2.6168 2.6168 2.6168 2.6168 3.2045 3.2045 3.2045 3.2045 4.8030 4.8030 4.8030 4.8030 7.5671 7.5671 7.5671 7.5671 8.5375 8.5375 8.5375 8.5375 k = 0.0000 0.4526 0.0116 ( 5828 PWs) bands (ev): -7.9892 -7.9892 -7.9892 -7.9892 -6.8628 -6.8628 -6.8628 -6.8628 1.1499 1.1499 1.1499 1.1499 1.6076 1.6076 1.6076 1.6076 1.6880 1.6880 1.6880 1.6880 2.6077 2.6077 2.6077 2.6077 3.2131 3.2131 3.2131 3.2131 4.8032 4.8032 4.8032 4.8032 7.5672 7.5672 7.5672 7.5672 8.5348 8.5348 8.5348 8.5348 k = 0.0000 0.4526 0.0232 ( 5824 PWs) bands (ev): -7.9892 -7.9892 -7.9892 -7.9892 -6.8628 -6.8628 -6.8628 -6.8628 1.1540 1.1540 1.1540 1.1540 1.6076 1.6076 1.6076 1.6076 1.6881 1.6881 1.6881 1.6881 2.5820 2.5820 2.5820 2.5820 3.2372 3.2372 3.2372 3.2372 4.8038 4.8038 4.8038 4.8038 7.5674 7.5674 7.5674 7.5674 8.5270 8.5270 8.5270 8.5270 k = 0.0000 0.4526 0.0348 ( 5816 PWs) bands (ev): -7.9892 -7.9892 -7.9892 -7.9892 -6.8628 -6.8628 -6.8628 -6.8628 1.1609 1.1609 1.1609 1.1609 1.6076 1.6076 1.6076 1.6076 1.6883 1.6883 1.6883 1.6883 2.5435 2.5435 2.5435 2.5435 3.2732 3.2732 3.2732 3.2732 4.8049 4.8049 4.8049 4.8049 7.5678 7.5678 7.5678 7.5678 8.5142 8.5142 8.5142 8.5142 k = 0.0000 0.4526 0.0465 ( 5812 PWs) bands (ev): -7.9892 -7.9892 -7.9892 -7.9892 -6.8629 -6.8629 -6.8629 -6.8629 1.1704 1.1704 1.1704 1.1704 1.6075 1.6075 1.6075 1.6075 1.6886 1.6886 1.6886 1.6886 2.4960 2.4960 2.4960 2.4960 3.3168 3.3168 3.3168 3.3168 4.8063 4.8063 4.8063 4.8063 7.5684 7.5684 7.5684 7.5684 8.4966 8.4966 8.4966 8.4966 k = 0.0000 0.4526 0.0581 ( 5824 PWs) bands (ev): -7.9892 -7.9892 -7.9892 -7.9892 -6.8629 -6.8629 -6.8629 -6.8629 1.1825 1.1825 1.1825 1.1825 1.6075 1.6075 1.6075 1.6075 1.6890 1.6890 1.6890 1.6890 2.4429 2.4429 2.4429 2.4429 3.3648 3.3648 3.3648 3.3648 4.8081 4.8081 4.8081 4.8081 7.5690 7.5690 7.5690 7.5690 8.4748 8.4748 8.4748 8.4748 k = 0.0000 0.4526 0.0697 ( 5820 PWs) bands (ev): -7.9891 -7.9891 -7.9891 -7.9891 -6.8630 -6.8630 -6.8630 -6.8630 1.1971 1.1971 1.1971 1.1971 1.6075 1.6075 1.6075 1.6075 1.6896 1.6896 1.6896 1.6896 2.3866 2.3866 2.3866 2.3866 3.4146 3.4146 3.4146 3.4146 4.8103 4.8103 4.8103 4.8103 7.5698 7.5698 7.5698 7.5698 8.4495 8.4495 8.4495 8.4495 k = 0.0000 0.4526 0.0813 ( 5818 PWs) bands (ev): -7.9891 -7.9891 -7.9891 -7.9891 -6.8631 -6.8631 -6.8631 -6.8631 1.2138 1.2138 1.2138 1.2138 1.6074 1.6074 1.6074 1.6074 1.6903 1.6903 1.6903 1.6903 2.3287 2.3287 2.3287 2.3287 3.4644 3.4644 3.4644 3.4644 4.8128 4.8128 4.8128 4.8128 7.5707 7.5707 7.5707 7.5707 8.4215 8.4215 8.4215 8.4215 k = 0.0000 0.4526 0.0929 ( 5816 PWs) bands (ev): -7.9891 -7.9891 -7.9891 -7.9891 -6.8631 -6.8631 -6.8631 -6.8631 1.2326 1.2326 1.2326 1.2326 1.6074 1.6074 1.6074 1.6074 1.6911 1.6911 1.6911 1.6911 2.2706 2.2706 2.2706 2.2706 3.5128 3.5128 3.5128 3.5128 4.8155 4.8155 4.8155 4.8155 7.5717 7.5717 7.5717 7.5717 8.3918 8.3918 8.3918 8.3918 k = 0.0000 0.4526 0.1045 ( 5824 PWs) bands (ev): -7.9890 -7.9890 -7.9890 -7.9890 -6.8632 -6.8632 -6.8632 -6.8632 1.2531 1.2531 1.2531 1.2531 1.6073 1.6073 1.6073 1.6073 1.6923 1.6923 1.6923 1.6923 2.2133 2.2133 2.2133 2.2133 3.5586 3.5586 3.5586 3.5586 4.8184 4.8184 4.8184 4.8184 7.5727 7.5727 7.5727 7.5727 8.3614 8.3614 8.3614 8.3614 k = 0.0000 0.4526 0.1161 ( 5824 PWs) bands (ev): -7.9890 -7.9890 -7.9890 -7.9890 -6.8633 -6.8633 -6.8633 -6.8633 1.2749 1.2749 1.2749 1.2749 1.6073 1.6073 1.6073 1.6073 1.6938 1.6938 1.6938 1.6938 2.1576 2.1576 2.1576 2.1576 3.6010 3.6010 3.6010 3.6010 4.8214 4.8214 4.8214 4.8214 7.5739 7.5739 7.5739 7.5739 8.3314 8.3314 8.3314 8.3314 k = 0.0000 0.4526 0.1278 ( 5820 PWs) bands (ev): -7.9890 -7.9890 -7.9890 -7.9890 -6.8633 -6.8633 -6.8633 -6.8633 1.2973 1.2973 1.2973 1.2973 1.6072 1.6072 1.6072 1.6072 1.6957 1.6957 1.6957 1.6957 2.1046 2.1046 2.1046 2.1046 3.6392 3.6392 3.6392 3.6392 4.8244 4.8244 4.8244 4.8244 7.5750 7.5750 7.5750 7.5750 8.3028 8.3028 8.3028 8.3028 k = 0.0000 0.4526 0.1394 ( 5810 PWs) bands (ev): -7.9889 -7.9889 -7.9889 -7.9889 -6.8634 -6.8634 -6.8634 -6.8634 1.3197 1.3197 1.3197 1.3197 1.6071 1.6071 1.6071 1.6071 1.6981 1.6981 1.6981 1.6981 2.0552 2.0552 2.0552 2.0552 3.6726 3.6726 3.6726 3.6726 4.8272 4.8272 4.8272 4.8272 7.5760 7.5760 7.5760 7.5760 8.2767 8.2767 8.2767 8.2767 k = 0.0000 0.4526 0.1510 ( 5816 PWs) bands (ev): -7.9889 -7.9889 -7.9889 -7.9889 -6.8635 -6.8635 -6.8635 -6.8635 1.3409 1.3409 1.3409 1.3409 1.6070 1.6070 1.6070 1.6070 1.7011 1.7011 1.7011 1.7011 2.0105 2.0105 2.0105 2.0105 3.7006 3.7006 3.7006 3.7006 4.8298 4.8298 4.8298 4.8298 7.5770 7.5770 7.5770 7.5770 8.2539 8.2539 8.2539 8.2539 k = 0.0000 0.4526 0.1626 ( 5818 PWs) bands (ev): -7.9889 -7.9889 -7.9889 -7.9889 -6.8635 -6.8635 -6.8635 -6.8635 1.3599 1.3599 1.3599 1.3599 1.6070 1.6070 1.6070 1.6070 1.7045 1.7045 1.7045 1.7045 1.9721 1.9721 1.9721 1.9721 3.7228 3.7228 3.7228 3.7228 4.8319 4.8319 4.8319 4.8319 7.5778 7.5778 7.5778 7.5778 8.2353 8.2353 8.2353 8.2353 k = 0.0000 0.4526 0.1742 ( 5800 PWs) bands (ev): -7.9889 -7.9889 -7.9889 -7.9889 -6.8635 -6.8635 -6.8635 -6.8635 1.3750 1.3750 1.3750 1.3750 1.6069 1.6069 1.6069 1.6069 1.7081 1.7081 1.7081 1.7081 1.9419 1.9419 1.9419 1.9419 3.7389 3.7389 3.7389 3.7389 4.8336 4.8336 4.8336 4.8336 7.5785 7.5785 7.5785 7.5785 8.2215 8.2215 8.2215 8.2215 k = 0.0000 0.4526 0.1858 ( 5796 PWs) bands (ev): -7.9889 -7.9889 -7.9889 -7.9889 -6.8636 -6.8636 -6.8636 -6.8636 1.3848 1.3848 1.3848 1.3848 1.6068 1.6068 1.6068 1.6068 1.7109 1.7109 1.7109 1.7109 1.9222 1.9222 1.9222 1.9222 3.7487 3.7487 3.7487 3.7487 4.8346 4.8346 4.8346 4.8346 7.5789 7.5789 7.5789 7.5789 8.2130 8.2130 8.2130 8.2130 k = 0.0000 0.4526 0.1974 ( 5808 PWs) bands (ev): -7.9889 -7.9889 -7.9889 -7.9889 -6.8636 -6.8636 -6.8636 -6.8636 1.3883 1.3883 1.3883 1.3883 1.6068 1.6068 1.6068 1.6068 1.7121 1.7121 1.7121 1.7121 1.9153 1.9153 1.9153 1.9153 3.7520 3.7520 3.7520 3.7520 4.8349 4.8349 4.8349 4.8349 7.5790 7.5790 7.5790 7.5790 8.2101 8.2101 8.2101 8.2101 k = 0.5000-0.0000 0.1974 ( 5820 PWs) bands (ev): -8.1449 -8.1449 -8.1449 -8.1449 -6.6505 -6.6505 -6.6505 -6.6505 0.9714 0.9714 0.9714 0.9714 1.8684 1.8684 1.8684 1.8684 1.9791 1.9791 1.9791 1.9791 2.6958 2.6958 2.6958 2.6958 3.8805 3.8805 3.8805 3.8805 4.7528 4.7528 4.7528 4.7528 7.7216 7.7216 7.7216 7.7216 8.4914 8.4914 8.4914 8.4914 k = 0.5000-0.0000 0.1858 ( 5822 PWs) bands (ev): -8.1449 -8.1449 -8.1449 -8.1449 -6.6505 -6.6505 -6.6505 -6.6505 0.9721 0.9721 0.9721 0.9721 1.8675 1.8675 1.8675 1.8675 1.9781 1.9781 1.9781 1.9781 2.6974 2.6974 2.6974 2.6974 3.8800 3.8800 3.8800 3.8800 4.7527 4.7527 4.7527 4.7527 7.7238 7.7238 7.7238 7.7238 8.4917 8.4917 8.4917 8.4917 k = 0.5000-0.0000 0.1742 ( 5826 PWs) bands (ev): -8.1449 -8.1449 -8.1449 -8.1449 -6.6505 -6.6505 -6.6505 -6.6505 0.9740 0.9740 0.9740 0.9740 1.8648 1.8648 1.8648 1.8648 1.9752 1.9752 1.9752 1.9752 2.7019 2.7019 2.7019 2.7019 3.8787 3.8787 3.8787 3.8787 4.7525 4.7525 4.7525 4.7525 7.7305 7.7305 7.7305 7.7305 8.4926 8.4926 8.4926 8.4926 k = 0.5000-0.0000 0.1626 ( 5832 PWs) bands (ev): -8.1449 -8.1449 -8.1449 -8.1449 -6.6505 -6.6505 -6.6505 -6.6505 0.9772 0.9772 0.9772 0.9772 1.8600 1.8600 1.8600 1.8600 1.9709 1.9709 1.9709 1.9709 2.7091 2.7091 2.7091 2.7091 3.8766 3.8766 3.8766 3.8766 4.7522 4.7522 4.7522 4.7522 7.7416 7.7416 7.7416 7.7416 8.4940 8.4940 8.4940 8.4940 k = 0.5000-0.0000 0.1510 ( 5836 PWs) bands (ev): -8.1449 -8.1449 -8.1449 -8.1449 -6.6505 -6.6505 -6.6505 -6.6505 0.9815 0.9815 0.9815 0.9815 1.8531 1.8531 1.8531 1.8531 1.9657 1.9657 1.9657 1.9657 2.7188 2.7188 2.7188 2.7188 3.8737 3.8737 3.8737 3.8737 4.7518 4.7518 4.7518 4.7518 7.7568 7.7568 7.7568 7.7568 8.4959 8.4959 8.4959 8.4959 k = 0.5000-0.0000 0.1394 ( 5836 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6505 -6.6505 -6.6505 -6.6505 0.9869 0.9869 0.9869 0.9869 1.8438 1.8438 1.8438 1.8438 1.9602 1.9602 1.9602 1.9602 2.7304 2.7304 2.7304 2.7304 3.8701 3.8701 3.8701 3.8701 4.7513 4.7513 4.7513 4.7513 7.7759 7.7759 7.7759 7.7759 8.4982 8.4982 8.4982 8.4982 k = 0.5000-0.0000 0.1278 ( 5840 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6505 -6.6505 -6.6505 -6.6505 0.9933 0.9933 0.9933 0.9933 1.8323 1.8323 1.8323 1.8323 1.9551 1.9551 1.9551 1.9551 2.7433 2.7433 2.7433 2.7433 3.8659 3.8659 3.8659 3.8659 4.7507 4.7507 4.7507 4.7507 7.7985 7.7985 7.7985 7.7985 8.5010 8.5010 8.5010 8.5010 k = 0.5000-0.0000 0.1161 ( 5826 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6506 -6.6506 -6.6506 -6.6506 1.0006 1.0006 1.0006 1.0006 1.8187 1.8187 1.8187 1.8187 1.9506 1.9506 1.9506 1.9506 2.7572 2.7572 2.7572 2.7572 3.8613 3.8613 3.8613 3.8613 4.7501 4.7501 4.7501 4.7501 7.8243 7.8243 7.8243 7.8243 8.5040 8.5040 8.5040 8.5040 k = 0.5000-0.0000 0.1045 ( 5822 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6506 -6.6506 -6.6506 -6.6506 1.0084 1.0084 1.0084 1.0084 1.8036 1.8036 1.8036 1.8036 1.9468 1.9468 1.9468 1.9468 2.7714 2.7714 2.7714 2.7714 3.8564 3.8564 3.8564 3.8564 4.7494 4.7494 4.7494 4.7494 7.8526 7.8526 7.8526 7.8526 8.5073 8.5073 8.5073 8.5073 k = 0.5000-0.0000 0.0929 ( 5822 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6506 -6.6506 -6.6506 -6.6506 1.0166 1.0166 1.0166 1.0166 1.7875 1.7875 1.7875 1.7875 1.9438 1.9438 1.9438 1.9438 2.7856 2.7856 2.7856 2.7856 3.8513 3.8513 3.8513 3.8513 4.7487 4.7487 4.7487 4.7487 7.8827 7.8827 7.8827 7.8827 8.5107 8.5107 8.5107 8.5107 k = 0.5000-0.0000 0.0813 ( 5822 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6506 -6.6506 -6.6506 -6.6506 1.0250 1.0250 1.0250 1.0250 1.7712 1.7712 1.7712 1.7712 1.9414 1.9414 1.9414 1.9414 2.7992 2.7992 2.7992 2.7992 3.8463 3.8463 3.8463 3.8463 4.7481 4.7481 4.7481 4.7481 7.9139 7.9139 7.9139 7.9139 8.5142 8.5142 8.5142 8.5142 k = 0.5000-0.0000 0.0697 ( 5826 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6506 -6.6506 -6.6506 -6.6506 1.0333 1.0333 1.0333 1.0333 1.7553 1.7553 1.7553 1.7553 1.9396 1.9396 1.9396 1.9396 2.8119 2.8119 2.8119 2.8119 3.8415 3.8415 3.8415 3.8415 4.7475 4.7475 4.7475 4.7475 7.9451 7.9451 7.9451 7.9451 8.5175 8.5175 8.5175 8.5175 k = 0.5000-0.0000 0.0581 ( 5834 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6506 -6.6506 -6.6506 -6.6506 1.0410 1.0410 1.0410 1.0410 1.7405 1.7405 1.7405 1.7405 1.9382 1.9382 1.9382 1.9382 2.8232 2.8232 2.8232 2.8232 3.8370 3.8370 3.8370 3.8370 4.7469 4.7469 4.7469 4.7469 7.9751 7.9751 7.9751 7.9751 8.5207 8.5207 8.5207 8.5207 k = 0.5000-0.0000 0.0465 ( 5826 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6507 -6.6507 -6.6507 -6.6507 1.0480 1.0480 1.0480 1.0480 1.7274 1.7274 1.7274 1.7274 1.9372 1.9372 1.9372 1.9372 2.8330 2.8330 2.8330 2.8330 3.8331 3.8331 3.8331 3.8331 4.7464 4.7464 4.7464 4.7464 8.0026 8.0026 8.0026 8.0026 8.5236 8.5236 8.5236 8.5236 k = 0.5000-0.0000 0.0348 ( 5822 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6507 -6.6507 -6.6507 -6.6507 1.0539 1.0539 1.0539 1.0539 1.7166 1.7166 1.7166 1.7166 1.9364 1.9364 1.9364 1.9364 2.8409 2.8409 2.8409 2.8409 3.8299 3.8299 3.8299 3.8299 4.7460 4.7460 4.7460 4.7460 8.0263 8.0263 8.0263 8.0263 8.5260 8.5260 8.5260 8.5260 k = 0.5000-0.0000 0.0232 ( 5826 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6507 -6.6507 -6.6507 -6.6507 1.0583 1.0583 1.0583 1.0583 1.7085 1.7085 1.7085 1.7085 1.9359 1.9359 1.9359 1.9359 2.8466 2.8466 2.8466 2.8466 3.8275 3.8275 3.8275 3.8275 4.7457 4.7457 4.7457 4.7457 8.0445 8.0445 8.0445 8.0445 8.5279 8.5279 8.5279 8.5279 k = 0.5000-0.0000 0.0116 ( 5824 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6507 -6.6507 -6.6507 -6.6507 1.0611 1.0611 1.0611 1.0611 1.7035 1.7035 1.7035 1.7035 1.9356 1.9356 1.9356 1.9356 2.8502 2.8502 2.8502 2.8502 3.8260 3.8260 3.8260 3.8260 4.7455 4.7455 4.7455 4.7455 8.0560 8.0560 8.0560 8.0560 8.5290 8.5290 8.5290 8.5290 k = 0.5000-0.0000-0.0000 ( 5840 PWs) bands (ev): -8.1448 -8.1448 -8.1448 -8.1448 -6.6507 -6.6507 -6.6507 -6.6507 1.0621 1.0621 1.0621 1.0621 1.7018 1.7018 1.7018 1.7018 1.9355 1.9355 1.9355 1.9355 2.8513 2.8513 2.8513 2.8513 3.8255 3.8255 3.8255 3.8255 4.7455 4.7455 4.7455 4.7455 8.0600 8.0600 8.0600 8.0600 8.5294 8.5294 8.5294 8.5294 k = 0.5000 0.4526-0.0000 ( 5836 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3048 0.3048 0.3048 0.3048 1.5309 1.5309 1.5309 1.5309 2.5305 2.5305 2.5305 2.5305 2.7844 2.7844 2.7844 2.7844 3.2615 3.2615 3.2615 3.2615 3.6827 3.6827 3.6827 3.6827 7.4053 7.4053 7.4053 7.4053 7.5893 7.5893 7.5893 7.5893 k = 0.5000 0.4526 0.0116 ( 5852 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3050 0.3050 0.3050 0.3050 1.5305 1.5305 1.5305 1.5305 2.5306 2.5306 2.5306 2.5306 2.7836 2.7836 2.7836 2.7836 3.2628 3.2628 3.2628 3.2628 3.6822 3.6822 3.6822 3.6822 7.4063 7.4063 7.4063 7.4063 7.5897 7.5897 7.5897 7.5897 k = 0.5000 0.4526 0.0232 ( 5856 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3055 0.3055 0.3055 0.3055 1.5294 1.5294 1.5294 1.5294 2.5309 2.5309 2.5309 2.5309 2.7815 2.7815 2.7815 2.7815 3.2664 3.2664 3.2664 3.2664 3.6809 3.6809 3.6809 3.6809 7.4096 7.4096 7.4096 7.4096 7.5908 7.5908 7.5908 7.5908 k = 0.5000 0.4526 0.0348 ( 5860 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3064 0.3064 0.3064 0.3064 1.5276 1.5276 1.5276 1.5276 2.5314 2.5314 2.5314 2.5314 2.7780 2.7780 2.7780 2.7780 3.2723 3.2723 3.2723 3.2723 3.6788 3.6788 3.6788 3.6788 7.4148 7.4148 7.4148 7.4148 7.5926 7.5926 7.5926 7.5926 k = 0.5000 0.4526 0.0465 ( 5852 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3076 0.3076 0.3076 0.3076 1.5251 1.5251 1.5251 1.5251 2.5319 2.5319 2.5319 2.5319 2.7736 2.7736 2.7736 2.7736 3.2800 3.2800 3.2800 3.2800 3.6760 3.6760 3.6760 3.6760 7.4221 7.4221 7.4221 7.4221 7.5950 7.5950 7.5950 7.5950 k = 0.5000 0.4526 0.0581 ( 5852 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3091 0.3091 0.3091 0.3091 1.5220 1.5220 1.5220 1.5220 2.5326 2.5326 2.5326 2.5326 2.7684 2.7684 2.7684 2.7684 3.2891 3.2891 3.2891 3.2891 3.6725 3.6725 3.6725 3.6725 7.4311 7.4311 7.4311 7.4311 7.5980 7.5980 7.5980 7.5980 k = 0.5000 0.4526 0.0697 ( 5852 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3108 0.3108 0.3108 0.3108 1.5185 1.5185 1.5185 1.5185 2.5333 2.5333 2.5333 2.5333 2.7629 2.7629 2.7629 2.7629 3.2993 3.2993 3.2993 3.2993 3.6686 3.6686 3.6686 3.6686 7.4416 7.4416 7.4416 7.4416 7.6015 7.6015 7.6015 7.6015 k = 0.5000 0.4526 0.0813 ( 5844 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3127 0.3127 0.3127 0.3127 1.5146 1.5146 1.5146 1.5146 2.5340 2.5340 2.5340 2.5340 2.7574 2.7574 2.7574 2.7574 3.3100 3.3100 3.3100 3.3100 3.6643 3.6643 3.6643 3.6643 7.4534 7.4534 7.4534 7.4534 7.6054 7.6054 7.6054 7.6054 k = 0.5000 0.4526 0.0929 ( 5848 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3146 0.3146 0.3146 0.3146 1.5105 1.5105 1.5105 1.5105 2.5345 2.5345 2.5345 2.5345 2.7520 2.7520 2.7520 2.7520 3.3209 3.3209 3.3209 3.3209 3.6599 3.6599 3.6599 3.6599 7.4661 7.4661 7.4661 7.4661 7.6096 7.6096 7.6096 7.6096 k = 0.5000 0.4526 0.1045 ( 5836 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3167 0.3167 0.3167 0.3167 1.5063 1.5063 1.5063 1.5063 2.5350 2.5350 2.5350 2.5350 2.7471 2.7471 2.7471 2.7471 3.3314 3.3314 3.3314 3.3314 3.6555 3.6555 3.6555 3.6555 7.4794 7.4794 7.4794 7.4794 7.6140 7.6140 7.6140 7.6140 k = 0.5000 0.4526 0.1161 ( 5844 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3187 0.3187 0.3187 0.3187 1.5021 1.5021 1.5021 1.5021 2.5353 2.5353 2.5353 2.5353 2.7427 2.7427 2.7427 2.7427 3.3414 3.3414 3.3414 3.3414 3.6513 3.6513 3.6513 3.6513 7.4926 7.4926 7.4926 7.4926 7.6186 7.6186 7.6186 7.6186 k = 0.5000 0.4526 0.1278 ( 5840 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3206 0.3206 0.3206 0.3206 1.4982 1.4982 1.4982 1.4982 2.5356 2.5356 2.5356 2.5356 2.7389 2.7389 2.7389 2.7389 3.3504 3.3504 3.3504 3.3504 3.6474 3.6474 3.6474 3.6474 7.5054 7.5054 7.5054 7.5054 7.6231 7.6231 7.6231 7.6231 k = 0.5000 0.4526 0.1394 ( 5844 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3224 0.3224 0.3224 0.3224 1.4946 1.4946 1.4946 1.4946 2.5356 2.5356 2.5356 2.5356 2.7358 2.7358 2.7358 2.7358 3.3583 3.3583 3.3583 3.3583 3.6440 3.6440 3.6440 3.6440 7.5173 7.5173 7.5173 7.5173 7.6275 7.6275 7.6275 7.6275 k = 0.5000 0.4526 0.1510 ( 5840 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3239 0.3239 0.3239 0.3239 1.4914 1.4914 1.4914 1.4914 2.5356 2.5356 2.5356 2.5356 2.7334 2.7334 2.7334 2.7334 3.3650 3.3650 3.3650 3.3650 3.6411 3.6411 3.6411 3.6411 7.5277 7.5277 7.5277 7.5277 7.6316 7.6316 7.6316 7.6316 k = 0.5000 0.4526 0.1626 ( 5832 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3252 0.3252 0.3252 0.3252 1.4888 1.4888 1.4888 1.4888 2.5356 2.5356 2.5356 2.5356 2.7315 2.7315 2.7315 2.7315 3.3702 3.3702 3.3702 3.3702 3.6388 3.6388 3.6388 3.6388 7.5361 7.5361 7.5361 7.5361 7.6351 7.6351 7.6351 7.6351 k = 0.5000 0.4526 0.1742 ( 5832 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3261 0.3261 0.3261 0.3261 1.4869 1.4869 1.4869 1.4869 2.5355 2.5355 2.5355 2.5355 2.7303 2.7303 2.7303 2.7303 3.3739 3.3739 3.3739 3.3739 3.6372 3.6372 3.6372 3.6372 7.5424 7.5424 7.5424 7.5424 7.6379 7.6379 7.6379 7.6379 k = 0.5000 0.4526 0.1858 ( 5828 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3267 0.3267 0.3267 0.3267 1.4857 1.4857 1.4857 1.4857 2.5354 2.5354 2.5354 2.5354 2.7295 2.7295 2.7295 2.7295 3.3762 3.3762 3.3762 3.3762 3.6362 3.6362 3.6362 3.6362 7.5462 7.5462 7.5462 7.5462 7.6397 7.6397 7.6397 7.6397 k = 0.5000 0.4526 0.1974 ( 5824 PWs) bands (ev): -7.5891 -7.5891 -7.5891 -7.5891 -6.4505 -6.4505 -6.4505 -6.4505 0.3269 0.3269 0.3269 0.3269 1.4853 1.4853 1.4853 1.4853 2.5354 2.5354 2.5354 2.5354 2.7293 2.7293 2.7293 2.7293 3.3770 3.3770 3.3770 3.3770 3.6359 3.6359 3.6359 3.6359 7.5475 7.5475 7.5475 7.5475 7.6403 7.6403 7.6403 7.6403 Writing output data file ZrIN.save init_run : 0.23s CPU 0.37s WALL ( 1 calls) electrons : 196.02s CPU 199.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 196.01s CPU 199.21s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 408 calls) cegterg : 178.88s CPU 181.28s WALL ( 779 calls) Called by sum_band: Called by *egterg: h_psi : 98.12s CPU 99.82s WALL ( 13184 calls) s_psi : 9.95s CPU 10.09s WALL ( 13184 calls) g_psi : 0.41s CPU 0.38s WALL ( 11997 calls) cdiaghg : 59.58s CPU 60.64s WALL ( 12405 calls) cegterg:over : 7.69s CPU 7.74s WALL ( 11997 calls) cegterg:upda : 8.34s CPU 8.17s WALL ( 11997 calls) cegterg:last : 3.99s CPU 3.97s WALL ( 2000 calls) cdiaghg:chol : 3.48s CPU 3.47s WALL ( 12405 calls) cdiaghg:inve : 1.66s CPU 1.80s WALL ( 12405 calls) cdiaghg:para : 3.47s CPU 3.52s WALL ( 24810 calls) Called by h_psi: h_psi:vloc : 83.94s CPU 85.68s WALL ( 13184 calls) h_psi:vnl : 13.81s CPU 13.78s WALL ( 13184 calls) add_vuspsi : 6.52s CPU 6.56s WALL ( 13184 calls) General routines calbec : 7.24s CPU 7.19s WALL ( 13184 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 78.02s CPU 79.65s WALL ( 963140 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.27s WALL ( 816 calls) Parallel routines fft_scatter : 31.34s CPU 32.46s WALL ( 963163 calls) PWSCF : 3m34.46s CPU 3m57.11s WALL This run was terminated on: 11:24:15 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=