Program PWSCF v.5.1.1 starts on 11Oct2015 at 2: 7:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrPbO3.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 20 6 991 472 78 Max 34 21 7 996 487 83 Sum 1601 985 293 47677 23099 3855 bravais-lattice index = 14 lattice parameter (alat) = 7.8751 a.u. unit-cell volume = 484.4884 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.875120 celldm(2)= 1.000000 celldm(3)= 0.992001 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.001188 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.001188 0.999999 0.000000 ) a(3) = ( 0.000000 0.000000 0.992001 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.001188 -0.000000 ) b(2) = ( 0.000000 1.000001 -0.000000 ) b(3) = ( 0.000000 0.000000 1.008064 ) PseudoPot. # 1 for Zr read from file: /home/autes/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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pb read from file: /home/autes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) O 6.00 15.99940 O( 1.00) Pb 14.00 207.20000 Pb( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 458 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021834 k( 2) = ( 0.0092483 0.0092593 -0.0000000), wk = 0.0021834 k( 3) = ( 0.0184966 0.0185185 -0.0000000), wk = 0.0021834 k( 4) = ( 0.0277448 0.0277778 -0.0000000), wk = 0.0021834 k( 5) = ( 0.0369931 0.0370371 -0.0000000), wk = 0.0021834 k( 6) = ( 0.0462414 0.0462963 -0.0000000), wk = 0.0021834 k( 7) = ( 0.0554897 0.0555556 -0.0000000), wk = 0.0021834 k( 8) = ( 0.0647379 0.0648149 -0.0000000), wk = 0.0021834 k( 9) = ( 0.0739862 0.0740741 -0.0000000), wk = 0.0021834 k( 10) = ( 0.0832345 0.0833334 -0.0000000), wk = 0.0021834 k( 11) = ( 0.0924828 0.0925927 -0.0000000), wk = 0.0021834 k( 12) = ( 0.1017310 0.1018519 -0.0000000), wk = 0.0021834 k( 13) = ( 0.1109793 0.1111112 -0.0000000), wk = 0.0021834 k( 14) = ( 0.1202276 0.1203705 -0.0000000), wk = 0.0021834 k( 15) = ( 0.1294758 0.1296297 -0.0000000), wk = 0.0021834 k( 16) = ( 0.1387241 0.1388890 -0.0000000), wk = 0.0021834 k( 17) = ( 0.1479724 0.1481482 -0.0000000), wk = 0.0021834 k( 18) = ( 0.1572207 0.1574075 -0.0000000), wk = 0.0021834 k( 19) = ( 0.1664689 0.1666668 -0.0000000), wk = 0.0021834 k( 20) = ( 0.1757172 0.1759261 -0.0000000), wk = 0.0021834 k( 21) = ( 0.1849655 0.1851853 -0.0000000), wk = 0.0021834 k( 22) = ( 0.1942138 0.1944446 -0.0000000), wk = 0.0021834 k( 23) = ( 0.2034620 0.2037038 -0.0000000), wk = 0.0021834 k( 24) = ( 0.2127103 0.2129631 -0.0000000), wk = 0.0021834 k( 25) = ( 0.2219586 0.2222224 -0.0000000), wk = 0.0021834 k( 26) = ( 0.2312069 0.2314816 -0.0000000), wk = 0.0021834 k( 27) = ( 0.2404551 0.2407409 -0.0000000), wk = 0.0021834 k( 28) = ( 0.2497034 0.2500002 -0.0000000), wk = 0.0021834 k( 29) = ( 0.2589517 0.2592594 -0.0000000), wk = 0.0021834 k( 30) = ( 0.2682000 0.2685187 -0.0000000), wk = 0.0021834 k( 31) = ( 0.2774482 0.2777780 -0.0000000), wk = 0.0021834 k( 32) = ( 0.2866965 0.2870372 -0.0000000), wk = 0.0021834 k( 33) = ( 0.2959448 0.2962965 -0.0000000), wk = 0.0021834 k( 34) = ( 0.3051931 0.3055558 -0.0000000), wk = 0.0021834 k( 35) = ( 0.3144413 0.3148150 -0.0000000), wk = 0.0021834 k( 36) = ( 0.3236896 0.3240743 -0.0000000), wk = 0.0021834 k( 37) = ( 0.3329379 0.3333336 -0.0000000), wk = 0.0021834 k( 38) = ( 0.3421862 0.3425928 -0.0000000), wk = 0.0021834 k( 39) = ( 0.3514344 0.3518521 -0.0000000), wk = 0.0021834 k( 40) = ( 0.3606827 0.3611114 -0.0000000), wk = 0.0021834 k( 41) = ( 0.3699310 0.3703706 -0.0000000), wk = 0.0021834 k( 42) = ( 0.3791793 0.3796299 -0.0000000), wk = 0.0021834 k( 43) = ( 0.3884275 0.3888892 -0.0000000), wk = 0.0021834 k( 44) = ( 0.3976758 0.3981484 -0.0000000), wk = 0.0021834 k( 45) = ( 0.4069241 0.4074077 -0.0000000), wk = 0.0021834 k( 46) = ( 0.4161724 0.4166670 -0.0000000), wk = 0.0021834 k( 47) = ( 0.4254206 0.4259262 -0.0000000), wk = 0.0021834 k( 48) = ( 0.4346689 0.4351855 -0.0000000), wk = 0.0021834 k( 49) = ( 0.4439172 0.4444448 -0.0000000), wk = 0.0021834 k( 50) = ( 0.4531655 0.4537040 -0.0000000), wk = 0.0021834 k( 51) = ( 0.4624137 0.4629633 -0.0000000), wk = 0.0021834 k( 52) = ( 0.4716620 0.4722226 -0.0000000), wk = 0.0021834 k( 53) = ( 0.4809103 0.4814818 -0.0000000), wk = 0.0021834 k( 54) = ( 0.4901586 0.4907411 -0.0000000), wk = 0.0021834 k( 55) = ( 0.4994068 0.5000004 -0.0000000), wk = 0.0021834 k( 56) = ( 0.4994068 0.5000004 -0.0000000), wk = 0.0021834 k( 57) = ( 0.4862646 0.5000004 -0.0000000), wk = 0.0021834 k( 58) = ( 0.4731223 0.5000004 -0.0000000), wk = 0.0021834 k( 59) = ( 0.4599800 0.5000004 -0.0000000), wk = 0.0021834 k( 60) = ( 0.4468377 0.5000004 -0.0000000), wk = 0.0021834 k( 61) = ( 0.4336954 0.5000004 -0.0000000), wk = 0.0021834 k( 62) = ( 0.4205531 0.5000004 -0.0000000), wk = 0.0021834 k( 63) = ( 0.4074108 0.5000004 -0.0000000), wk = 0.0021834 k( 64) = ( 0.3942685 0.5000004 -0.0000000), wk = 0.0021834 k( 65) = ( 0.3811263 0.5000004 -0.0000000), wk = 0.0021834 k( 66) = ( 0.3679840 0.5000004 -0.0000000), wk = 0.0021834 k( 67) = ( 0.3548417 0.5000004 -0.0000000), wk = 0.0021834 k( 68) = ( 0.3416994 0.5000004 -0.0000000), wk = 0.0021834 k( 69) = ( 0.3285571 0.5000004 -0.0000000), wk = 0.0021834 k( 70) = ( 0.3154148 0.5000004 -0.0000000), wk = 0.0021834 k( 71) = ( 0.3022726 0.5000004 -0.0000000), wk = 0.0021834 k( 72) = ( 0.2891303 0.5000004 -0.0000000), wk = 0.0021834 k( 73) = ( 0.2759880 0.5000004 -0.0000000), wk = 0.0021834 k( 74) = ( 0.2628457 0.5000004 -0.0000000), wk = 0.0021834 k( 75) = ( 0.2497034 0.5000004 -0.0000000), wk = 0.0021834 k( 76) = ( 0.2365611 0.5000003 -0.0000000), wk = 0.0021834 k( 77) = ( 0.2234189 0.5000003 -0.0000000), wk = 0.0021834 k( 78) = ( 0.2102766 0.5000003 -0.0000000), wk = 0.0021834 k( 79) = ( 0.1971343 0.5000003 -0.0000000), wk = 0.0021834 k( 80) = ( 0.1839920 0.5000003 -0.0000000), wk = 0.0021834 k( 81) = ( 0.1708497 0.5000003 -0.0000000), wk = 0.0021834 k( 82) = ( 0.1577074 0.5000003 -0.0000000), wk = 0.0021834 k( 83) = ( 0.1445651 0.5000003 -0.0000000), wk = 0.0021834 k( 84) = ( 0.1314229 0.5000004 -0.0000000), wk = 0.0021834 k( 85) = ( 0.1182806 0.5000004 -0.0000000), wk = 0.0021834 k( 86) = ( 0.1051383 0.5000004 -0.0000000), wk = 0.0021834 k( 87) = ( 0.0919960 0.5000004 -0.0000000), wk = 0.0021834 k( 88) = ( 0.0788537 0.5000004 -0.0000000), wk = 0.0021834 k( 89) = ( 0.0657114 0.5000004 -0.0000000), wk = 0.0021834 k( 90) = ( 0.0525691 0.5000004 -0.0000000), wk = 0.0021834 k( 91) = ( 0.0394269 0.5000004 -0.0000000), wk = 0.0021834 k( 92) = ( 0.0262846 0.5000004 -0.0000000), wk = 0.0021834 k( 93) = ( 0.0131423 0.5000004 -0.0000000), wk = 0.0021834 k( 94) = ( 0.0000000 0.5000004 -0.0000000), wk = 0.0021834 k( 95) = ( 0.0000000 0.5000004 -0.0000000), wk = 0.0021834 k( 96) = ( 0.0000000 0.5000004 0.0132640), wk = 0.0021834 k( 97) = ( 0.0000000 0.5000004 0.0265280), wk = 0.0021834 k( 98) = ( 0.0000000 0.5000004 0.0397920), wk = 0.0021834 k( 99) = ( 0.0000000 0.5000004 0.0530560), wk = 0.0021834 k( 100) = ( 0.0000000 0.5000004 0.0663200), wk = 0.0021834 k( 101) = ( 0.0000000 0.5000004 0.0795840), wk = 0.0021834 k( 102) = ( 0.0000000 0.5000004 0.0928480), wk = 0.0021834 k( 103) = ( 0.0000000 0.5000004 0.1061120), wk = 0.0021834 k( 104) = ( 0.0000000 0.5000004 0.1193759), wk = 0.0021834 k( 105) = ( 0.0000000 0.5000004 0.1326399), wk = 0.0021834 k( 106) = ( 0.0000000 0.5000004 0.1459039), wk = 0.0021834 k( 107) = ( 0.0000000 0.5000004 0.1591679), wk = 0.0021834 k( 108) = ( 0.0000000 0.5000004 0.1724319), wk = 0.0021834 k( 109) = ( 0.0000000 0.5000004 0.1856959), wk = 0.0021834 k( 110) = ( 0.0000000 0.5000004 0.1989599), wk = 0.0021834 k( 111) = ( 0.0000000 0.5000004 0.2122239), wk = 0.0021834 k( 112) = ( 0.0000000 0.5000004 0.2254879), wk = 0.0021834 k( 113) = ( 0.0000000 0.5000004 0.2387519), wk = 0.0021834 k( 114) = ( 0.0000000 0.5000004 0.2520159), wk = 0.0021834 k( 115) = ( 0.0000000 0.5000004 0.2652799), wk = 0.0021834 k( 116) = ( 0.0000000 0.5000004 0.2785439), wk = 0.0021834 k( 117) = ( 0.0000000 0.5000004 0.2918079), wk = 0.0021834 k( 118) = ( 0.0000000 0.5000004 0.3050719), wk = 0.0021834 k( 119) = ( 0.0000000 0.5000004 0.3183358), wk = 0.0021834 k( 120) = ( 0.0000000 0.5000004 0.3315998), wk = 0.0021834 k( 121) = ( 0.0000000 0.5000004 0.3448638), wk = 0.0021834 k( 122) = ( 0.0000000 0.5000004 0.3581278), wk = 0.0021834 k( 123) = ( 0.0000000 0.5000004 0.3713918), wk = 0.0021834 k( 124) = ( 0.0000000 0.5000004 0.3846558), wk = 0.0021834 k( 125) = ( 0.0000000 0.5000004 0.3979198), wk = 0.0021834 k( 126) = ( 0.0000000 0.5000004 0.4111838), wk = 0.0021834 k( 127) = ( 0.0000000 0.5000004 0.4244478), wk = 0.0021834 k( 128) = ( 0.0000000 0.5000004 0.4377118), wk = 0.0021834 k( 129) = ( 0.0000000 0.5000004 0.4509758), wk = 0.0021834 k( 130) = ( 0.0000000 0.5000004 0.4642398), wk = 0.0021834 k( 131) = ( 0.0000000 0.5000004 0.4775038), wk = 0.0021834 k( 132) = ( 0.0000000 0.5000004 0.4907678), wk = 0.0021834 k( 133) = ( 0.0000000 0.5000004 0.5040318), wk = 0.0021834 k( 134) = ( 0.0000000 0.5000004 0.5040318), wk = 0.0021834 k( 135) = ( 0.0131423 0.5000004 0.5040318), wk = 0.0021834 k( 136) = ( 0.0262846 0.5000004 0.5040318), wk = 0.0021834 k( 137) = ( 0.0394269 0.5000004 0.5040318), wk = 0.0021834 k( 138) = ( 0.0525691 0.5000004 0.5040318), wk = 0.0021834 k( 139) = ( 0.0657114 0.5000004 0.5040318), wk = 0.0021834 k( 140) = ( 0.0788537 0.5000004 0.5040318), wk = 0.0021834 k( 141) = ( 0.0919960 0.5000004 0.5040318), wk = 0.0021834 k( 142) = ( 0.1051383 0.5000004 0.5040318), wk = 0.0021834 k( 143) = ( 0.1182806 0.5000004 0.5040318), wk = 0.0021834 k( 144) = ( 0.1314229 0.5000004 0.5040318), wk = 0.0021834 k( 145) = ( 0.1445651 0.5000003 0.5040318), wk = 0.0021834 k( 146) = ( 0.1577074 0.5000003 0.5040318), wk = 0.0021834 k( 147) = ( 0.1708497 0.5000003 0.5040318), wk = 0.0021834 k( 148) = ( 0.1839920 0.5000003 0.5040318), wk = 0.0021834 k( 149) = ( 0.1971343 0.5000003 0.5040318), wk = 0.0021834 k( 150) = ( 0.2102766 0.5000003 0.5040318), wk = 0.0021834 k( 151) = ( 0.2234189 0.5000003 0.5040318), wk = 0.0021834 k( 152) = ( 0.2365611 0.5000003 0.5040318), wk = 0.0021834 k( 153) = ( 0.2497034 0.5000004 0.5040318), wk = 0.0021834 k( 154) = ( 0.2628457 0.5000004 0.5040318), wk = 0.0021834 k( 155) = ( 0.2759880 0.5000004 0.5040318), wk = 0.0021834 k( 156) = ( 0.2891303 0.5000004 0.5040318), wk = 0.0021834 k( 157) = ( 0.3022726 0.5000004 0.5040318), wk = 0.0021834 k( 158) = ( 0.3154148 0.5000004 0.5040318), wk = 0.0021834 k( 159) = ( 0.3285571 0.5000004 0.5040318), wk = 0.0021834 k( 160) = ( 0.3416994 0.5000004 0.5040318), wk = 0.0021834 k( 161) = ( 0.3548417 0.5000004 0.5040318), wk = 0.0021834 k( 162) = ( 0.3679840 0.5000004 0.5040318), wk = 0.0021834 k( 163) = ( 0.3811263 0.5000004 0.5040318), wk = 0.0021834 k( 164) = ( 0.3942685 0.5000004 0.5040318), wk = 0.0021834 k( 165) = ( 0.4074108 0.5000004 0.5040318), wk = 0.0021834 k( 166) = ( 0.4205531 0.5000004 0.5040318), wk = 0.0021834 k( 167) = ( 0.4336954 0.5000004 0.5040318), wk = 0.0021834 k( 168) = ( 0.4468377 0.5000004 0.5040318), wk = 0.0021834 k( 169) = ( 0.4599800 0.5000004 0.5040318), wk = 0.0021834 k( 170) = ( 0.4731223 0.5000004 0.5040318), wk = 0.0021834 k( 171) = ( 0.4862646 0.5000004 0.5040318), wk = 0.0021834 k( 172) = ( 0.4994068 0.5000004 0.5040318), wk = 0.0021834 k( 173) = ( 0.4994068 0.5000004 0.5040318), wk = 0.0021834 k( 174) = ( 0.4901586 0.4907411 0.5040318), wk = 0.0021834 k( 175) = ( 0.4809103 0.4814818 0.5040318), wk = 0.0021834 k( 176) = ( 0.4716620 0.4722226 0.5040318), wk = 0.0021834 k( 177) = ( 0.4624137 0.4629633 0.5040318), wk = 0.0021834 k( 178) = ( 0.4531655 0.4537040 0.5040318), wk = 0.0021834 k( 179) = ( 0.4439172 0.4444448 0.5040318), wk = 0.0021834 k( 180) = ( 0.4346689 0.4351855 0.5040318), wk = 0.0021834 k( 181) = ( 0.4254206 0.4259262 0.5040318), wk = 0.0021834 k( 182) = ( 0.4161724 0.4166670 0.5040318), wk = 0.0021834 k( 183) = ( 0.4069241 0.4074077 0.5040318), wk = 0.0021834 k( 184) = ( 0.3976758 0.3981484 0.5040318), wk = 0.0021834 k( 185) = ( 0.3884275 0.3888892 0.5040318), wk = 0.0021834 k( 186) = ( 0.3791793 0.3796299 0.5040318), wk = 0.0021834 k( 187) = ( 0.3699310 0.3703706 0.5040318), wk = 0.0021834 k( 188) = ( 0.3606827 0.3611114 0.5040318), wk = 0.0021834 k( 189) = ( 0.3514344 0.3518521 0.5040318), wk = 0.0021834 k( 190) = ( 0.3421862 0.3425928 0.5040318), wk = 0.0021834 k( 191) = ( 0.3329379 0.3333336 0.5040318), wk = 0.0021834 k( 192) = ( 0.3236896 0.3240743 0.5040318), wk = 0.0021834 k( 193) = ( 0.3144413 0.3148150 0.5040318), wk = 0.0021834 k( 194) = ( 0.3051931 0.3055558 0.5040318), wk = 0.0021834 k( 195) = ( 0.2959448 0.2962965 0.5040318), wk = 0.0021834 k( 196) = ( 0.2866965 0.2870372 0.5040318), wk = 0.0021834 k( 197) = ( 0.2774482 0.2777780 0.5040318), wk = 0.0021834 k( 198) = ( 0.2682000 0.2685187 0.5040318), wk = 0.0021834 k( 199) = ( 0.2589517 0.2592594 0.5040318), wk = 0.0021834 k( 200) = ( 0.2497034 0.2500002 0.5040318), wk = 0.0021834 k( 201) = ( 0.2404551 0.2407409 0.5040318), wk = 0.0021834 k( 202) = ( 0.2312069 0.2314816 0.5040318), wk = 0.0021834 k( 203) = ( 0.2219586 0.2222224 0.5040318), wk = 0.0021834 k( 204) = ( 0.2127103 0.2129631 0.5040318), wk = 0.0021834 k( 205) = ( 0.2034620 0.2037038 0.5040318), wk = 0.0021834 k( 206) = ( 0.1942138 0.1944446 0.5040318), wk = 0.0021834 k( 207) = ( 0.1849655 0.1851853 0.5040318), wk = 0.0021834 k( 208) = ( 0.1757172 0.1759261 0.5040318), wk = 0.0021834 k( 209) = ( 0.1664689 0.1666668 0.5040318), wk = 0.0021834 k( 210) = ( 0.1572207 0.1574075 0.5040318), wk = 0.0021834 k( 211) = ( 0.1479724 0.1481482 0.5040318), wk = 0.0021834 k( 212) = ( 0.1387241 0.1388890 0.5040318), wk = 0.0021834 k( 213) = ( 0.1294758 0.1296297 0.5040318), wk = 0.0021834 k( 214) = ( 0.1202276 0.1203705 0.5040318), wk = 0.0021834 k( 215) = ( 0.1109793 0.1111112 0.5040318), wk = 0.0021834 k( 216) = ( 0.1017310 0.1018519 0.5040318), wk = 0.0021834 k( 217) = ( 0.0924828 0.0925927 0.5040318), wk = 0.0021834 k( 218) = ( 0.0832345 0.0833334 0.5040318), wk = 0.0021834 k( 219) = ( 0.0739862 0.0740741 0.5040318), wk = 0.0021834 k( 220) = ( 0.0647379 0.0648149 0.5040318), wk = 0.0021834 k( 221) = ( 0.0554897 0.0555556 0.5040318), wk = 0.0021834 k( 222) = ( 0.0462414 0.0462963 0.5040318), wk = 0.0021834 k( 223) = ( 0.0369931 0.0370371 0.5040318), wk = 0.0021834 k( 224) = ( 0.0277448 0.0277778 0.5040318), wk = 0.0021834 k( 225) = ( 0.0184966 0.0185185 0.5040318), wk = 0.0021834 k( 226) = ( 0.0092483 0.0092593 0.5040318), wk = 0.0021834 k( 227) = ( 0.0000000 0.0000000 0.5040318), wk = 0.0021834 k( 228) = ( 0.0000000 0.0000000 0.5040318), wk = 0.0021834 k( 229) = ( 0.0000000 0.0000000 0.4907678), wk = 0.0021834 k( 230) = ( 0.0000000 0.0000000 0.4775038), wk = 0.0021834 k( 231) = ( 0.0000000 0.0000000 0.4642398), wk = 0.0021834 k( 232) = ( 0.0000000 0.0000000 0.4509758), wk = 0.0021834 k( 233) = ( 0.0000000 0.0000000 0.4377118), wk = 0.0021834 k( 234) = ( 0.0000000 0.0000000 0.4244478), wk = 0.0021834 k( 235) = ( 0.0000000 0.0000000 0.4111838), wk = 0.0021834 k( 236) = ( 0.0000000 0.0000000 0.3979198), wk = 0.0021834 k( 237) = ( 0.0000000 0.0000000 0.3846558), wk = 0.0021834 k( 238) = ( 0.0000000 0.0000000 0.3713918), wk = 0.0021834 k( 239) = ( 0.0000000 0.0000000 0.3581278), wk = 0.0021834 k( 240) = ( 0.0000000 0.0000000 0.3448638), wk = 0.0021834 k( 241) = ( 0.0000000 0.0000000 0.3315998), wk = 0.0021834 k( 242) = ( 0.0000000 0.0000000 0.3183358), wk = 0.0021834 k( 243) = ( 0.0000000 0.0000000 0.3050719), wk = 0.0021834 k( 244) = ( 0.0000000 0.0000000 0.2918079), wk = 0.0021834 k( 245) = ( 0.0000000 0.0000000 0.2785439), wk = 0.0021834 k( 246) = ( 0.0000000 0.0000000 0.2652799), wk = 0.0021834 k( 247) = ( 0.0000000 0.0000000 0.2520159), wk = 0.0021834 k( 248) = ( 0.0000000 0.0000000 0.2387519), wk = 0.0021834 k( 249) = ( 0.0000000 0.0000000 0.2254879), wk = 0.0021834 k( 250) = ( 0.0000000 0.0000000 0.2122239), wk = 0.0021834 k( 251) = ( 0.0000000 0.0000000 0.1989599), wk = 0.0021834 k( 252) = ( 0.0000000 0.0000000 0.1856959), wk = 0.0021834 k( 253) = ( 0.0000000 0.0000000 0.1724319), wk = 0.0021834 k( 254) = ( 0.0000000 0.0000000 0.1591679), wk = 0.0021834 k( 255) = ( 0.0000000 0.0000000 0.1459039), wk = 0.0021834 k( 256) = ( 0.0000000 0.0000000 0.1326399), wk = 0.0021834 k( 257) = ( 0.0000000 0.0000000 0.1193759), wk = 0.0021834 k( 258) = ( 0.0000000 0.0000000 0.1061120), wk = 0.0021834 k( 259) = ( 0.0000000 0.0000000 0.0928480), wk = 0.0021834 k( 260) = ( 0.0000000 0.0000000 0.0795840), wk = 0.0021834 k( 261) = ( 0.0000000 0.0000000 0.0663200), wk = 0.0021834 k( 262) = ( 0.0000000 0.0000000 0.0530560), wk = 0.0021834 k( 263) = ( 0.0000000 0.0000000 0.0397920), wk = 0.0021834 k( 264) = ( 0.0000000 0.0000000 0.0265280), wk = 0.0021834 k( 265) = ( 0.0000000 0.0000000 0.0132640), wk = 0.0021834 k( 266) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021834 k( 267) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021834 k( 268) = ( -0.0092593 0.0092483 0.0000000), wk = 0.0021834 k( 269) = ( -0.0185185 0.0184965 0.0000000), wk = 0.0021834 k( 270) = ( -0.0277778 0.0277448 0.0000000), wk = 0.0021834 k( 271) = ( -0.0370370 0.0369931 0.0000000), wk = 0.0021834 k( 272) = ( -0.0462963 0.0462413 0.0000000), wk = 0.0021834 k( 273) = ( -0.0555556 0.0554896 0.0000000), wk = 0.0021834 k( 274) = ( -0.0648148 0.0647379 0.0000000), wk = 0.0021834 k( 275) = ( -0.0740741 0.0739861 0.0000000), wk = 0.0021834 k( 276) = ( -0.0833333 0.0832344 0.0000000), wk = 0.0021834 k( 277) = ( -0.0925926 0.0924827 0.0000000), wk = 0.0021834 k( 278) = ( -0.1018518 0.1017309 0.0000000), wk = 0.0021834 k( 279) = ( -0.1111111 0.1109792 0.0000000), wk = 0.0021834 k( 280) = ( -0.1203704 0.1202275 0.0000000), wk = 0.0021834 k( 281) = ( -0.1296296 0.1294758 0.0000000), wk = 0.0021834 k( 282) = ( -0.1388889 0.1387240 0.0000000), wk = 0.0021834 k( 283) = ( -0.1481482 0.1479723 0.0000000), wk = 0.0021834 k( 284) = ( -0.1574074 0.1572206 0.0000000), wk = 0.0021834 k( 285) = ( -0.1666667 0.1664688 0.0000000), wk = 0.0021834 k( 286) = ( -0.1759259 0.1757171 0.0000000), wk = 0.0021834 k( 287) = ( -0.1851852 0.1849654 0.0000000), wk = 0.0021834 k( 288) = ( -0.1944444 0.1942136 0.0000000), wk = 0.0021834 k( 289) = ( -0.2037037 0.2034619 0.0000000), wk = 0.0021834 k( 290) = ( -0.2129630 0.2127102 0.0000000), wk = 0.0021834 k( 291) = ( -0.2222222 0.2219584 0.0000000), wk = 0.0021834 k( 292) = ( -0.2314815 0.2312067 0.0000000), wk = 0.0021834 k( 293) = ( -0.2407407 0.2404550 0.0000000), wk = 0.0021834 k( 294) = ( -0.2500000 0.2497032 0.0000000), wk = 0.0021834 k( 295) = ( -0.2592593 0.2589515 0.0000000), wk = 0.0021834 k( 296) = ( -0.2685185 0.2681998 0.0000000), wk = 0.0021834 k( 297) = ( -0.2777778 0.2774480 0.0000000), wk = 0.0021834 k( 298) = ( -0.2870370 0.2866963 0.0000000), wk = 0.0021834 k( 299) = ( -0.2962963 0.2959446 0.0000000), wk = 0.0021834 k( 300) = ( -0.3055556 0.3051929 0.0000000), wk = 0.0021834 k( 301) = ( -0.3148148 0.3144411 0.0000000), wk = 0.0021834 k( 302) = ( -0.3240741 0.3236894 0.0000000), wk = 0.0021834 k( 303) = ( -0.3333333 0.3329376 0.0000000), wk = 0.0021834 k( 304) = ( -0.3425926 0.3421859 0.0000000), wk = 0.0021834 k( 305) = ( -0.3518519 0.3514342 0.0000000), wk = 0.0021834 k( 306) = ( -0.3611111 0.3606825 0.0000000), wk = 0.0021834 k( 307) = ( -0.3703704 0.3699307 0.0000000), wk = 0.0021834 k( 308) = ( -0.3796296 0.3791790 0.0000000), wk = 0.0021834 k( 309) = ( -0.3888889 0.3884273 0.0000000), wk = 0.0021834 k( 310) = ( -0.3981481 0.3976755 0.0000000), wk = 0.0021834 k( 311) = ( -0.4074074 0.4069238 0.0000000), wk = 0.0021834 k( 312) = ( -0.4166667 0.4161721 0.0000000), wk = 0.0021834 k( 313) = ( -0.4259259 0.4254203 0.0000000), wk = 0.0021834 k( 314) = ( -0.4351852 0.4346686 0.0000000), wk = 0.0021834 k( 315) = ( -0.4444444 0.4439169 0.0000000), wk = 0.0021834 k( 316) = ( -0.4537037 0.4531651 0.0000000), wk = 0.0021834 k( 317) = ( -0.4629630 0.4624134 0.0000000), wk = 0.0021834 k( 318) = ( -0.4722222 0.4716617 0.0000000), wk = 0.0021834 k( 319) = ( -0.4814815 0.4809099 0.0000000), wk = 0.0021834 k( 320) = ( -0.4907407 0.4901582 0.0000000), wk = 0.0021834 k( 321) = ( -0.5000000 0.4994065 0.0000000), wk = 0.0021834 k( 322) = ( -0.5000000 0.4994065 0.0000000), wk = 0.0021834 k( 323) = ( -0.4994068 0.5000004 -0.0000000), wk = 0.0021834 k( 324) = ( -0.4994068 0.5000004 -0.0000000), wk = 0.0021834 k( 325) = ( -0.4994068 0.5000004 0.0132640), wk = 0.0021834 k( 326) = ( -0.4994068 0.5000004 0.0265280), wk = 0.0021834 k( 327) = ( -0.4994068 0.5000004 0.0397920), wk = 0.0021834 k( 328) = ( -0.4994068 0.5000004 0.0530560), wk = 0.0021834 k( 329) = ( -0.4994068 0.5000004 0.0663200), wk = 0.0021834 k( 330) = ( -0.4994068 0.5000004 0.0795840), wk = 0.0021834 k( 331) = ( -0.4994068 0.5000004 0.0928480), wk = 0.0021834 k( 332) = ( -0.4994068 0.5000004 0.1061120), wk = 0.0021834 k( 333) = ( -0.4994068 0.5000004 0.1193759), wk = 0.0021834 k( 334) = ( -0.4994068 0.5000004 0.1326399), wk = 0.0021834 k( 335) = ( -0.4994068 0.5000004 0.1459039), wk = 0.0021834 k( 336) = ( -0.4994068 0.5000004 0.1591679), wk = 0.0021834 k( 337) = ( -0.4994068 0.5000004 0.1724319), wk = 0.0021834 k( 338) = ( -0.4994068 0.5000004 0.1856959), wk = 0.0021834 k( 339) = ( -0.4994068 0.5000004 0.1989599), wk = 0.0021834 k( 340) = ( -0.4994068 0.5000004 0.2122239), wk = 0.0021834 k( 341) = ( -0.4994068 0.5000004 0.2254879), wk = 0.0021834 k( 342) = ( -0.4994068 0.5000004 0.2387519), wk = 0.0021834 k( 343) = ( -0.4994068 0.5000004 0.2520159), wk = 0.0021834 k( 344) = ( -0.4994068 0.5000004 0.2652799), wk = 0.0021834 k( 345) = ( -0.4994068 0.5000004 0.2785439), wk = 0.0021834 k( 346) = ( -0.4994068 0.5000004 0.2918079), wk = 0.0021834 k( 347) = ( -0.4994068 0.5000004 0.3050719), wk = 0.0021834 k( 348) = ( -0.4994068 0.5000004 0.3183358), wk = 0.0021834 k( 349) = ( -0.4994068 0.5000004 0.3315998), wk = 0.0021834 k( 350) = ( -0.4994068 0.5000004 0.3448638), wk = 0.0021834 k( 351) = ( -0.4994068 0.5000004 0.3581278), wk = 0.0021834 k( 352) = ( -0.4994068 0.5000004 0.3713918), wk = 0.0021834 k( 353) = ( -0.4994068 0.5000004 0.3846558), wk = 0.0021834 k( 354) = ( -0.4994068 0.5000004 0.3979198), wk = 0.0021834 k( 355) = ( -0.4994068 0.5000004 0.4111838), wk = 0.0021834 k( 356) = ( -0.4994068 0.5000004 0.4244478), wk = 0.0021834 k( 357) = ( -0.4994068 0.5000004 0.4377118), wk = 0.0021834 k( 358) = ( -0.4994068 0.5000004 0.4509758), wk = 0.0021834 k( 359) = ( -0.4994068 0.5000004 0.4642398), wk = 0.0021834 k( 360) = ( -0.4994068 0.5000004 0.4775038), wk = 0.0021834 k( 361) = ( -0.4994068 0.5000004 0.4907678), wk = 0.0021834 k( 362) = ( -0.4994068 0.5000004 0.5040318), wk = 0.0021834 k( 363) = ( -0.4994068 0.5000004 0.5040318), wk = 0.0021834 k( 364) = ( -0.5000000 0.4994065 0.5040318), wk = 0.0021834 k( 365) = ( -0.5000000 0.4994065 0.5040318), wk = 0.0021834 k( 366) = ( -0.5000000 0.4994065 0.4907678), wk = 0.0021834 k( 367) = ( -0.5000000 0.4994065 0.4775038), wk = 0.0021834 k( 368) = ( -0.5000000 0.4994065 0.4642398), wk = 0.0021834 k( 369) = ( -0.5000000 0.4994065 0.4509758), wk = 0.0021834 k( 370) = ( -0.5000000 0.4994065 0.4377118), wk = 0.0021834 k( 371) = ( -0.5000000 0.4994065 0.4244478), wk = 0.0021834 k( 372) = ( -0.5000000 0.4994065 0.4111838), wk = 0.0021834 k( 373) = ( -0.5000000 0.4994065 0.3979198), wk = 0.0021834 k( 374) = ( -0.5000000 0.4994065 0.3846558), wk = 0.0021834 k( 375) = ( -0.5000000 0.4994065 0.3713918), wk = 0.0021834 k( 376) = ( -0.5000000 0.4994065 0.3581278), wk = 0.0021834 k( 377) = ( -0.5000000 0.4994065 0.3448638), wk = 0.0021834 k( 378) = ( -0.5000000 0.4994065 0.3315998), wk = 0.0021834 k( 379) = ( -0.5000000 0.4994065 0.3183358), wk = 0.0021834 k( 380) = ( -0.5000000 0.4994065 0.3050719), wk = 0.0021834 k( 381) = ( -0.5000000 0.4994065 0.2918079), wk = 0.0021834 k( 382) = ( -0.5000000 0.4994065 0.2785439), wk = 0.0021834 k( 383) = ( -0.5000000 0.4994065 0.2652799), wk = 0.0021834 k( 384) = ( -0.5000000 0.4994065 0.2520159), wk = 0.0021834 k( 385) = ( -0.5000000 0.4994065 0.2387519), wk = 0.0021834 k( 386) = ( -0.5000000 0.4994065 0.2254879), wk = 0.0021834 k( 387) = ( -0.5000000 0.4994065 0.2122239), wk = 0.0021834 k( 388) = ( -0.5000000 0.4994065 0.1989599), wk = 0.0021834 k( 389) = ( -0.5000000 0.4994065 0.1856959), wk = 0.0021834 k( 390) = ( -0.5000000 0.4994065 0.1724319), wk = 0.0021834 k( 391) = ( -0.5000000 0.4994065 0.1591679), wk = 0.0021834 k( 392) = ( -0.5000000 0.4994065 0.1459039), wk = 0.0021834 k( 393) = ( -0.5000000 0.4994065 0.1326399), wk = 0.0021834 k( 394) = ( -0.5000000 0.4994065 0.1193759), wk = 0.0021834 k( 395) = ( -0.5000000 0.4994065 0.1061120), wk = 0.0021834 k( 396) = ( -0.5000000 0.4994065 0.0928480), wk = 0.0021834 k( 397) = ( -0.5000000 0.4994065 0.0795840), wk = 0.0021834 k( 398) = ( -0.5000000 0.4994065 0.0663200), wk = 0.0021834 k( 399) = ( -0.5000000 0.4994065 0.0530560), wk = 0.0021834 k( 400) = ( -0.5000000 0.4994065 0.0397920), wk = 0.0021834 k( 401) = ( -0.5000000 0.4994065 0.0265280), wk = 0.0021834 k( 402) = ( -0.5000000 0.4994065 0.0132640), wk = 0.0021834 k( 403) = ( -0.5000000 0.4994065 0.0000000), wk = 0.0021834 k( 404) = ( 0.0000000 0.0000000 0.5040318), wk = 0.0021834 k( 405) = ( -0.0092593 0.0092483 0.5040318), wk = 0.0021834 k( 406) = ( -0.0185185 0.0184965 0.5040318), wk = 0.0021834 k( 407) = ( -0.0277778 0.0277448 0.5040318), wk = 0.0021834 k( 408) = ( -0.0370370 0.0369931 0.5040318), wk = 0.0021834 k( 409) = ( -0.0462963 0.0462413 0.5040318), wk = 0.0021834 k( 410) = ( -0.0555556 0.0554896 0.5040318), wk = 0.0021834 k( 411) = ( -0.0648148 0.0647379 0.5040318), wk = 0.0021834 k( 412) = ( -0.0740741 0.0739861 0.5040318), wk = 0.0021834 k( 413) = ( -0.0833333 0.0832344 0.5040318), wk = 0.0021834 k( 414) = ( -0.0925926 0.0924827 0.5040318), wk = 0.0021834 k( 415) = ( -0.1018518 0.1017309 0.5040318), wk = 0.0021834 k( 416) = ( -0.1111111 0.1109792 0.5040318), wk = 0.0021834 k( 417) = ( -0.1203704 0.1202275 0.5040318), wk = 0.0021834 k( 418) = ( -0.1296296 0.1294758 0.5040318), wk = 0.0021834 k( 419) = ( -0.1388889 0.1387240 0.5040318), wk = 0.0021834 k( 420) = ( -0.1481482 0.1479723 0.5040318), wk = 0.0021834 k( 421) = ( -0.1574074 0.1572206 0.5040318), wk = 0.0021834 k( 422) = ( -0.1666667 0.1664688 0.5040318), wk = 0.0021834 k( 423) = ( -0.1759259 0.1757171 0.5040318), wk = 0.0021834 k( 424) = ( -0.1851852 0.1849654 0.5040318), wk = 0.0021834 k( 425) = ( -0.1944444 0.1942136 0.5040318), wk = 0.0021834 k( 426) = ( -0.2037037 0.2034619 0.5040318), wk = 0.0021834 k( 427) = ( -0.2129630 0.2127102 0.5040318), wk = 0.0021834 k( 428) = ( -0.2222222 0.2219584 0.5040318), wk = 0.0021834 k( 429) = ( -0.2314815 0.2312067 0.5040318), wk = 0.0021834 k( 430) = ( -0.2407407 0.2404550 0.5040318), wk = 0.0021834 k( 431) = ( -0.2500000 0.2497032 0.5040318), wk = 0.0021834 k( 432) = ( -0.2592593 0.2589515 0.5040318), wk = 0.0021834 k( 433) = ( -0.2685185 0.2681998 0.5040318), wk = 0.0021834 k( 434) = ( -0.2777778 0.2774480 0.5040318), wk = 0.0021834 k( 435) = ( -0.2870370 0.2866963 0.5040318), wk = 0.0021834 k( 436) = ( -0.2962963 0.2959446 0.5040318), wk = 0.0021834 k( 437) = ( -0.3055556 0.3051929 0.5040318), wk = 0.0021834 k( 438) = ( -0.3148148 0.3144411 0.5040318), wk = 0.0021834 k( 439) = ( -0.3240741 0.3236894 0.5040318), wk = 0.0021834 k( 440) = ( -0.3333333 0.3329376 0.5040318), wk = 0.0021834 k( 441) = ( -0.3425926 0.3421859 0.5040318), wk = 0.0021834 k( 442) = ( -0.3518519 0.3514342 0.5040318), wk = 0.0021834 k( 443) = ( -0.3611111 0.3606825 0.5040318), wk = 0.0021834 k( 444) = ( -0.3703704 0.3699307 0.5040318), wk = 0.0021834 k( 445) = ( -0.3796296 0.3791790 0.5040318), wk = 0.0021834 k( 446) = ( -0.3888889 0.3884273 0.5040318), wk = 0.0021834 k( 447) = ( -0.3981481 0.3976755 0.5040318), wk = 0.0021834 k( 448) = ( -0.4074074 0.4069238 0.5040318), wk = 0.0021834 k( 449) = ( -0.4166667 0.4161721 0.5040318), wk = 0.0021834 k( 450) = ( -0.4259259 0.4254203 0.5040318), wk = 0.0021834 k( 451) = ( -0.4351852 0.4346686 0.5040318), wk = 0.0021834 k( 452) = ( -0.4444444 0.4439169 0.5040318), wk = 0.0021834 k( 453) = ( -0.4537037 0.4531651 0.5040318), wk = 0.0021834 k( 454) = ( -0.4629630 0.4624134 0.5040318), wk = 0.0021834 k( 455) = ( -0.4722222 0.4716617 0.5040318), wk = 0.0021834 k( 456) = ( -0.4814815 0.4809099 0.5040318), wk = 0.0021834 k( 457) = ( -0.4907407 0.4901582 0.5040318), wk = 0.0021834 k( 458) = ( -0.5000000 0.4994065 0.5040318), wk = 0.0021834 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021834 k( 2) = ( 0.0092483 0.0092483 0.0000000), wk = 0.0021834 k( 3) = ( 0.0184966 0.0184966 0.0000000), wk = 0.0021834 k( 4) = ( 0.0277448 0.0277448 -0.0000000), wk = 0.0021834 k( 5) = ( 0.0369931 0.0369931 0.0000000), wk = 0.0021834 k( 6) = ( 0.0462414 0.0462414 0.0000000), wk = 0.0021834 k( 7) = ( 0.0554897 0.0554897 0.0000000), wk = 0.0021834 k( 8) = ( 0.0647379 0.0647379 -0.0000000), wk = 0.0021834 k( 9) = ( 0.0739862 0.0739862 0.0000000), wk = 0.0021834 k( 10) = ( 0.0832345 0.0832345 0.0000000), wk = 0.0021834 k( 11) = ( 0.0924828 0.0924828 0.0000000), wk = 0.0021834 k( 12) = ( 0.1017310 0.1017310 -0.0000000), wk = 0.0021834 k( 13) = ( 0.1109793 0.1109793 0.0000000), wk = 0.0021834 k( 14) = ( 0.1202276 0.1202276 -0.0000000), wk = 0.0021834 k( 15) = ( 0.1294758 0.1294758 -0.0000000), wk = 0.0021834 k( 16) = ( 0.1387241 0.1387241 -0.0000000), wk = 0.0021834 k( 17) = ( 0.1479724 0.1479724 0.0000000), wk = 0.0021834 k( 18) = ( 0.1572207 0.1572207 -0.0000000), wk = 0.0021834 k( 19) = ( 0.1664689 0.1664689 0.0000000), wk = 0.0021834 k( 20) = ( 0.1757172 0.1757172 0.0000000), wk = 0.0021834 k( 21) = ( 0.1849655 0.1849655 -0.0000000), wk = 0.0021834 k( 22) = ( 0.1942138 0.1942138 -0.0000000), wk = 0.0021834 k( 23) = ( 0.2034620 0.2034620 -0.0000000), wk = 0.0021834 k( 24) = ( 0.2127103 0.2127103 0.0000000), wk = 0.0021834 k( 25) = ( 0.2219586 0.2219586 -0.0000000), wk = 0.0021834 k( 26) = ( 0.2312069 0.2312069 0.0000000), wk = 0.0021834 k( 27) = ( 0.2404551 0.2404551 -0.0000000), wk = 0.0021834 k( 28) = ( 0.2497034 0.2497034 -0.0000000), wk = 0.0021834 k( 29) = ( 0.2589517 0.2589517 -0.0000000), wk = 0.0021834 k( 30) = ( 0.2682000 0.2682000 -0.0000000), wk = 0.0021834 k( 31) = ( 0.2774482 0.2774482 -0.0000000), wk = 0.0021834 k( 32) = ( 0.2866965 0.2866965 0.0000000), wk = 0.0021834 k( 33) = ( 0.2959448 0.2959448 -0.0000000), wk = 0.0021834 k( 34) = ( 0.3051931 0.3051931 -0.0000000), wk = 0.0021834 k( 35) = ( 0.3144413 0.3144413 -0.0000000), wk = 0.0021834 k( 36) = ( 0.3236896 0.3236896 0.0000000), wk = 0.0021834 k( 37) = ( 0.3329379 0.3329379 0.0000000), wk = 0.0021834 k( 38) = ( 0.3421862 0.3421862 -0.0000000), wk = 0.0021834 k( 39) = ( 0.3514344 0.3514344 0.0000000), wk = 0.0021834 k( 40) = ( 0.3606827 0.3606827 0.0000000), wk = 0.0021834 k( 41) = ( 0.3699310 0.3699310 -0.0000000), wk = 0.0021834 k( 42) = ( 0.3791793 0.3791793 0.0000000), wk = 0.0021834 k( 43) = ( 0.3884275 0.3884275 0.0000000), wk = 0.0021834 k( 44) = ( 0.3976758 0.3976758 0.0000000), wk = 0.0021834 k( 45) = ( 0.4069241 0.4069241 -0.0000000), wk = 0.0021834 k( 46) = ( 0.4161724 0.4161724 -0.0000000), wk = 0.0021834 k( 47) = ( 0.4254206 0.4254206 0.0000000), wk = 0.0021834 k( 48) = ( 0.4346689 0.4346689 -0.0000000), wk = 0.0021834 k( 49) = ( 0.4439172 0.4439172 -0.0000000), wk = 0.0021834 k( 50) = ( 0.4531655 0.4531655 -0.0000000), wk = 0.0021834 k( 51) = ( 0.4624137 0.4624137 0.0000000), wk = 0.0021834 k( 52) = ( 0.4716620 0.4716620 -0.0000000), wk = 0.0021834 k( 53) = ( 0.4809103 0.4809103 -0.0000000), wk = 0.0021834 k( 54) = ( 0.4901586 0.4901586 0.0000000), wk = 0.0021834 k( 55) = ( 0.4994068 0.4994068 0.0000000), wk = 0.0021834 k( 56) = ( 0.4994068 0.4994068 0.0000000), wk = 0.0021834 k( 57) = ( 0.4862646 0.4994224 0.0000000), wk = 0.0021834 k( 58) = ( 0.4731223 0.4994380 -0.0000000), wk = 0.0021834 k( 59) = ( 0.4599800 0.4994537 -0.0000000), wk = 0.0021834 k( 60) = ( 0.4468377 0.4994693 -0.0000000), wk = 0.0021834 k( 61) = ( 0.4336954 0.4994849 0.0000000), wk = 0.0021834 k( 62) = ( 0.4205531 0.4995005 -0.0000000), wk = 0.0021834 k( 63) = ( 0.4074108 0.4995161 0.0000000), wk = 0.0021834 k( 64) = ( 0.3942685 0.4995317 0.0000000), wk = 0.0021834 k( 65) = ( 0.3811263 0.4995473 -0.0000000), wk = 0.0021834 k( 66) = ( 0.3679840 0.4995629 -0.0000000), wk = 0.0021834 k( 67) = ( 0.3548417 0.4995785 -0.0000000), wk = 0.0021834 k( 68) = ( 0.3416994 0.4995941 -0.0000000), wk = 0.0021834 k( 69) = ( 0.3285571 0.4996098 -0.0000000), wk = 0.0021834 k( 70) = ( 0.3154148 0.4996254 -0.0000000), wk = 0.0021834 k( 71) = ( 0.3022726 0.4996410 0.0000000), wk = 0.0021834 k( 72) = ( 0.2891303 0.4996566 -0.0000000), wk = 0.0021834 k( 73) = ( 0.2759880 0.4996722 0.0000000), wk = 0.0021834 k( 74) = ( 0.2628457 0.4996878 -0.0000000), wk = 0.0021834 k( 75) = ( 0.2497034 0.4997034 -0.0000000), wk = 0.0021834 k( 76) = ( 0.2365611 0.4997190 -0.0000000), wk = 0.0021834 k( 77) = ( 0.2234189 0.4997346 -0.0000000), wk = 0.0021834 k( 78) = ( 0.2102766 0.4997502 0.0000000), wk = 0.0021834 k( 79) = ( 0.1971343 0.4997659 0.0000000), wk = 0.0021834 k( 80) = ( 0.1839920 0.4997815 -0.0000000), wk = 0.0021834 k( 81) = ( 0.1708497 0.4997971 -0.0000000), wk = 0.0021834 k( 82) = ( 0.1577074 0.4998127 0.0000000), wk = 0.0021834 k( 83) = ( 0.1445651 0.4998283 -0.0000000), wk = 0.0021834 k( 84) = ( 0.1314229 0.4998439 0.0000000), wk = 0.0021834 k( 85) = ( 0.1182806 0.4998595 -0.0000000), wk = 0.0021834 k( 86) = ( 0.1051383 0.4998751 0.0000000), wk = 0.0021834 k( 87) = ( 0.0919960 0.4998907 -0.0000000), wk = 0.0021834 k( 88) = ( 0.0788537 0.4999063 0.0000000), wk = 0.0021834 k( 89) = ( 0.0657114 0.4999219 -0.0000000), wk = 0.0021834 k( 90) = ( 0.0525691 0.4999376 0.0000000), wk = 0.0021834 k( 91) = ( 0.0394269 0.4999532 -0.0000000), wk = 0.0021834 k( 92) = ( 0.0262846 0.4999688 -0.0000000), wk = 0.0021834 k( 93) = ( 0.0131423 0.4999844 -0.0000000), wk = 0.0021834 k( 94) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021834 k( 95) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021834 k( 96) = ( 0.0000000 0.5000000 0.0131579), wk = 0.0021834 k( 97) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0021834 k( 98) = ( 0.0000000 0.5000000 0.0394737), wk = 0.0021834 k( 99) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0021834 k( 100) = ( 0.0000000 0.5000000 0.0657895), wk = 0.0021834 k( 101) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0021834 k( 102) = ( 0.0000000 0.5000000 0.0921053), wk = 0.0021834 k( 103) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0021834 k( 104) = ( 0.0000000 0.5000000 0.1184211), wk = 0.0021834 k( 105) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0021834 k( 106) = ( 0.0000000 0.5000000 0.1447368), wk = 0.0021834 k( 107) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0021834 k( 108) = ( 0.0000000 0.5000000 0.1710526), wk = 0.0021834 k( 109) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0021834 k( 110) = ( 0.0000000 0.5000000 0.1973684), wk = 0.0021834 k( 111) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0021834 k( 112) = ( 0.0000000 0.5000000 0.2236842), wk = 0.0021834 k( 113) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0021834 k( 114) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021834 k( 115) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0021834 k( 116) = ( 0.0000000 0.5000000 0.2763158), wk = 0.0021834 k( 117) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0021834 k( 118) = ( 0.0000000 0.5000000 0.3026316), wk = 0.0021834 k( 119) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0021834 k( 120) = ( 0.0000000 0.5000000 0.3289474), wk = 0.0021834 k( 121) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0021834 k( 122) = ( 0.0000000 0.5000000 0.3552632), wk = 0.0021834 k( 123) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0021834 k( 124) = ( 0.0000000 0.5000000 0.3815790), wk = 0.0021834 k( 125) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0021834 k( 126) = ( 0.0000000 0.5000000 0.4078947), wk = 0.0021834 k( 127) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0021834 k( 128) = ( 0.0000000 0.5000000 0.4342105), wk = 0.0021834 k( 129) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0021834 k( 130) = ( 0.0000000 0.5000000 0.4605263), wk = 0.0021834 k( 131) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0021834 k( 132) = ( 0.0000000 0.5000000 0.4868421), wk = 0.0021834 k( 133) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021834 k( 134) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021834 k( 135) = ( 0.0131423 0.4999844 0.5000000), wk = 0.0021834 k( 136) = ( 0.0262846 0.4999688 0.5000000), wk = 0.0021834 k( 137) = ( 0.0394269 0.4999532 0.5000000), wk = 0.0021834 k( 138) = ( 0.0525691 0.4999376 0.5000000), wk = 0.0021834 k( 139) = ( 0.0657114 0.4999219 0.5000000), wk = 0.0021834 k( 140) = ( 0.0788537 0.4999063 0.5000000), wk = 0.0021834 k( 141) = ( 0.0919960 0.4998907 0.5000000), wk = 0.0021834 k( 142) = ( 0.1051383 0.4998751 0.5000000), wk = 0.0021834 k( 143) = ( 0.1182806 0.4998595 0.5000000), wk = 0.0021834 k( 144) = ( 0.1314229 0.4998439 0.5000000), wk = 0.0021834 k( 145) = ( 0.1445651 0.4998283 0.5000000), wk = 0.0021834 k( 146) = ( 0.1577074 0.4998127 0.5000000), wk = 0.0021834 k( 147) = ( 0.1708497 0.4997971 0.5000000), wk = 0.0021834 k( 148) = ( 0.1839920 0.4997815 0.5000000), wk = 0.0021834 k( 149) = ( 0.1971343 0.4997659 0.5000000), wk = 0.0021834 k( 150) = ( 0.2102766 0.4997502 0.5000000), wk = 0.0021834 k( 151) = ( 0.2234189 0.4997346 0.5000000), wk = 0.0021834 k( 152) = ( 0.2365611 0.4997190 0.5000000), wk = 0.0021834 k( 153) = ( 0.2497034 0.4997034 0.5000000), wk = 0.0021834 k( 154) = ( 0.2628457 0.4996878 0.5000000), wk = 0.0021834 k( 155) = ( 0.2759880 0.4996722 0.5000000), wk = 0.0021834 k( 156) = ( 0.2891303 0.4996566 0.5000000), wk = 0.0021834 k( 157) = ( 0.3022726 0.4996410 0.5000000), wk = 0.0021834 k( 158) = ( 0.3154148 0.4996254 0.5000000), wk = 0.0021834 k( 159) = ( 0.3285571 0.4996098 0.5000000), wk = 0.0021834 k( 160) = ( 0.3416994 0.4995941 0.5000000), wk = 0.0021834 k( 161) = ( 0.3548417 0.4995785 0.5000000), wk = 0.0021834 k( 162) = ( 0.3679840 0.4995629 0.5000000), wk = 0.0021834 k( 163) = ( 0.3811263 0.4995473 0.5000000), wk = 0.0021834 k( 164) = ( 0.3942685 0.4995317 0.5000000), wk = 0.0021834 k( 165) = ( 0.4074108 0.4995161 0.5000000), wk = 0.0021834 k( 166) = ( 0.4205531 0.4995005 0.5000000), wk = 0.0021834 k( 167) = ( 0.4336954 0.4994849 0.5000000), wk = 0.0021834 k( 168) = ( 0.4468377 0.4994693 0.5000000), wk = 0.0021834 k( 169) = ( 0.4599800 0.4994537 0.5000000), wk = 0.0021834 k( 170) = ( 0.4731223 0.4994380 0.5000000), wk = 0.0021834 k( 171) = ( 0.4862646 0.4994224 0.5000000), wk = 0.0021834 k( 172) = ( 0.4994068 0.4994068 0.5000000), wk = 0.0021834 k( 173) = ( 0.4994068 0.4994068 0.5000000), wk = 0.0021834 k( 174) = ( 0.4901586 0.4901586 0.5000000), wk = 0.0021834 k( 175) = ( 0.4809103 0.4809103 0.5000000), wk = 0.0021834 k( 176) = ( 0.4716620 0.4716620 0.5000000), wk = 0.0021834 k( 177) = ( 0.4624137 0.4624137 0.5000000), wk = 0.0021834 k( 178) = ( 0.4531655 0.4531655 0.5000000), wk = 0.0021834 k( 179) = ( 0.4439172 0.4439172 0.5000000), wk = 0.0021834 k( 180) = ( 0.4346689 0.4346689 0.5000000), wk = 0.0021834 k( 181) = ( 0.4254206 0.4254206 0.5000000), wk = 0.0021834 k( 182) = ( 0.4161724 0.4161724 0.5000000), wk = 0.0021834 k( 183) = ( 0.4069241 0.4069241 0.5000000), wk = 0.0021834 k( 184) = ( 0.3976758 0.3976758 0.5000000), wk = 0.0021834 k( 185) = ( 0.3884275 0.3884275 0.5000000), wk = 0.0021834 k( 186) = ( 0.3791793 0.3791793 0.5000000), wk = 0.0021834 k( 187) = ( 0.3699310 0.3699310 0.5000000), wk = 0.0021834 k( 188) = ( 0.3606827 0.3606827 0.5000000), wk = 0.0021834 k( 189) = ( 0.3514344 0.3514344 0.5000000), wk = 0.0021834 k( 190) = ( 0.3421862 0.3421862 0.5000000), wk = 0.0021834 k( 191) = ( 0.3329379 0.3329379 0.5000000), wk = 0.0021834 k( 192) = ( 0.3236896 0.3236896 0.5000000), wk = 0.0021834 k( 193) = ( 0.3144413 0.3144413 0.5000000), wk = 0.0021834 k( 194) = ( 0.3051931 0.3051931 0.5000000), wk = 0.0021834 k( 195) = ( 0.2959448 0.2959448 0.5000000), wk = 0.0021834 k( 196) = ( 0.2866965 0.2866965 0.5000000), wk = 0.0021834 k( 197) = ( 0.2774482 0.2774482 0.5000000), wk = 0.0021834 k( 198) = ( 0.2682000 0.2682000 0.5000000), wk = 0.0021834 k( 199) = ( 0.2589517 0.2589517 0.5000000), wk = 0.0021834 k( 200) = ( 0.2497034 0.2497034 0.5000000), wk = 0.0021834 k( 201) = ( 0.2404551 0.2404551 0.5000000), wk = 0.0021834 k( 202) = ( 0.2312069 0.2312069 0.5000000), wk = 0.0021834 k( 203) = ( 0.2219586 0.2219586 0.5000000), wk = 0.0021834 k( 204) = ( 0.2127103 0.2127103 0.5000000), wk = 0.0021834 k( 205) = ( 0.2034620 0.2034620 0.5000000), wk = 0.0021834 k( 206) = ( 0.1942138 0.1942138 0.5000000), wk = 0.0021834 k( 207) = ( 0.1849655 0.1849655 0.5000000), wk = 0.0021834 k( 208) = ( 0.1757172 0.1757172 0.5000000), wk = 0.0021834 k( 209) = ( 0.1664689 0.1664689 0.5000000), wk = 0.0021834 k( 210) = ( 0.1572207 0.1572207 0.5000000), wk = 0.0021834 k( 211) = ( 0.1479724 0.1479724 0.5000000), wk = 0.0021834 k( 212) = ( 0.1387241 0.1387241 0.5000000), wk = 0.0021834 k( 213) = ( 0.1294758 0.1294758 0.5000000), wk = 0.0021834 k( 214) = ( 0.1202276 0.1202276 0.5000000), wk = 0.0021834 k( 215) = ( 0.1109793 0.1109793 0.5000000), wk = 0.0021834 k( 216) = ( 0.1017310 0.1017310 0.5000000), wk = 0.0021834 k( 217) = ( 0.0924828 0.0924828 0.5000000), wk = 0.0021834 k( 218) = ( 0.0832345 0.0832345 0.5000000), wk = 0.0021834 k( 219) = ( 0.0739862 0.0739862 0.5000000), wk = 0.0021834 k( 220) = ( 0.0647379 0.0647379 0.5000000), wk = 0.0021834 k( 221) = ( 0.0554897 0.0554897 0.5000000), wk = 0.0021834 k( 222) = ( 0.0462414 0.0462414 0.5000000), wk = 0.0021834 k( 223) = ( 0.0369931 0.0369931 0.5000000), wk = 0.0021834 k( 224) = ( 0.0277448 0.0277448 0.5000000), wk = 0.0021834 k( 225) = ( 0.0184966 0.0184966 0.5000000), wk = 0.0021834 k( 226) = ( 0.0092483 0.0092483 0.5000000), wk = 0.0021834 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021834 k( 228) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021834 k( 229) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0021834 k( 230) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0021834 k( 231) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0021834 k( 232) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0021834 k( 233) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0021834 k( 234) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0021834 k( 235) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0021834 k( 236) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0021834 k( 237) = ( 0.0000000 0.0000000 0.3815790), wk = 0.0021834 k( 238) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0021834 k( 239) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0021834 k( 240) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0021834 k( 241) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0021834 k( 242) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0021834 k( 243) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0021834 k( 244) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0021834 k( 245) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0021834 k( 246) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0021834 k( 247) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021834 k( 248) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0021834 k( 249) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0021834 k( 250) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0021834 k( 251) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0021834 k( 252) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0021834 k( 253) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0021834 k( 254) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0021834 k( 255) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0021834 k( 256) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0021834 k( 257) = ( 0.0000000 0.0000000 0.1184211), wk = 0.0021834 k( 258) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0021834 k( 259) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0021834 k( 260) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0021834 k( 261) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0021834 k( 262) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0021834 k( 263) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0021834 k( 264) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0021834 k( 265) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0021834 k( 266) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021834 k( 267) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021834 k( 268) = ( -0.0092593 0.0092593 0.0000000), wk = 0.0021834 k( 269) = ( -0.0185185 0.0185185 0.0000000), wk = 0.0021834 k( 270) = ( -0.0277778 0.0277778 -0.0000000), wk = 0.0021834 k( 271) = ( -0.0370370 0.0370370 0.0000000), wk = 0.0021834 k( 272) = ( -0.0462963 0.0462963 -0.0000000), wk = 0.0021834 k( 273) = ( -0.0555556 0.0555556 -0.0000000), wk = 0.0021834 k( 274) = ( -0.0648148 0.0648148 0.0000000), wk = 0.0021834 k( 275) = ( -0.0740741 0.0740741 -0.0000000), wk = 0.0021834 k( 276) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0021834 k( 277) = ( -0.0925926 0.0925926 -0.0000000), wk = 0.0021834 k( 278) = ( -0.1018518 0.1018518 -0.0000000), wk = 0.0021834 k( 279) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0021834 k( 280) = ( -0.1203704 0.1203704 -0.0000000), wk = 0.0021834 k( 281) = ( -0.1296296 0.1296296 -0.0000000), wk = 0.0021834 k( 282) = ( -0.1388889 0.1388889 -0.0000000), wk = 0.0021834 k( 283) = ( -0.1481482 0.1481481 -0.0000000), wk = 0.0021834 k( 284) = ( -0.1574074 0.1574074 -0.0000000), wk = 0.0021834 k( 285) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0021834 k( 286) = ( -0.1759259 0.1759259 -0.0000000), wk = 0.0021834 k( 287) = ( -0.1851852 0.1851852 -0.0000000), wk = 0.0021834 k( 288) = ( -0.1944444 0.1944444 -0.0000000), wk = 0.0021834 k( 289) = ( -0.2037037 0.2037037 -0.0000000), wk = 0.0021834 k( 290) = ( -0.2129630 0.2129630 -0.0000000), wk = 0.0021834 k( 291) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0021834 k( 292) = ( -0.2314815 0.2314815 -0.0000000), wk = 0.0021834 k( 293) = ( -0.2407407 0.2407407 -0.0000000), wk = 0.0021834 k( 294) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0021834 k( 295) = ( -0.2592593 0.2592593 -0.0000000), wk = 0.0021834 k( 296) = ( -0.2685185 0.2685185 -0.0000000), wk = 0.0021834 k( 297) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0021834 k( 298) = ( -0.2870370 0.2870370 -0.0000000), wk = 0.0021834 k( 299) = ( -0.2962963 0.2962963 -0.0000000), wk = 0.0021834 k( 300) = ( -0.3055556 0.3055556 -0.0000000), wk = 0.0021834 k( 301) = ( -0.3148148 0.3148148 -0.0000000), wk = 0.0021834 k( 302) = ( -0.3240741 0.3240741 -0.0000000), wk = 0.0021834 k( 303) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0021834 k( 304) = ( -0.3425926 0.3425926 -0.0000000), wk = 0.0021834 k( 305) = ( -0.3518519 0.3518518 -0.0000000), wk = 0.0021834 k( 306) = ( -0.3611111 0.3611111 -0.0000000), wk = 0.0021834 k( 307) = ( -0.3703704 0.3703704 -0.0000000), wk = 0.0021834 k( 308) = ( -0.3796296 0.3796296 -0.0000000), wk = 0.0021834 k( 309) = ( -0.3888889 0.3888889 -0.0000000), wk = 0.0021834 k( 310) = ( -0.3981481 0.3981481 -0.0000000), wk = 0.0021834 k( 311) = ( -0.4074074 0.4074074 -0.0000000), wk = 0.0021834 k( 312) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0021834 k( 313) = ( -0.4259259 0.4259259 -0.0000000), wk = 0.0021834 k( 314) = ( -0.4351852 0.4351852 -0.0000000), wk = 0.0021834 k( 315) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0021834 k( 316) = ( -0.4537037 0.4537037 -0.0000000), wk = 0.0021834 k( 317) = ( -0.4629630 0.4629630 -0.0000000), wk = 0.0021834 k( 318) = ( -0.4722222 0.4722222 -0.0000000), wk = 0.0021834 k( 319) = ( -0.4814815 0.4814815 -0.0000000), wk = 0.0021834 k( 320) = ( -0.4907407 0.4907407 -0.0000000), wk = 0.0021834 k( 321) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021834 k( 322) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021834 k( 323) = ( -0.4994068 0.5005932 -0.0000000), wk = 0.0021834 k( 324) = ( -0.4994068 0.5005932 -0.0000000), wk = 0.0021834 k( 325) = ( -0.4994068 0.5005932 0.0131579), wk = 0.0021834 k( 326) = ( -0.4994068 0.5005932 0.0263158), wk = 0.0021834 k( 327) = ( -0.4994068 0.5005932 0.0394737), wk = 0.0021834 k( 328) = ( -0.4994068 0.5005932 0.0526316), wk = 0.0021834 k( 329) = ( -0.4994068 0.5005932 0.0657895), wk = 0.0021834 k( 330) = ( -0.4994068 0.5005932 0.0789474), wk = 0.0021834 k( 331) = ( -0.4994068 0.5005932 0.0921053), wk = 0.0021834 k( 332) = ( -0.4994068 0.5005932 0.1052632), wk = 0.0021834 k( 333) = ( -0.4994068 0.5005932 0.1184211), wk = 0.0021834 k( 334) = ( -0.4994068 0.5005932 0.1315790), wk = 0.0021834 k( 335) = ( -0.4994068 0.5005932 0.1447368), wk = 0.0021834 k( 336) = ( -0.4994068 0.5005932 0.1578947), wk = 0.0021834 k( 337) = ( -0.4994068 0.5005932 0.1710526), wk = 0.0021834 k( 338) = ( -0.4994068 0.5005932 0.1842105), wk = 0.0021834 k( 339) = ( -0.4994068 0.5005932 0.1973684), wk = 0.0021834 k( 340) = ( -0.4994068 0.5005932 0.2105263), wk = 0.0021834 k( 341) = ( -0.4994068 0.5005932 0.2236842), wk = 0.0021834 k( 342) = ( -0.4994068 0.5005932 0.2368421), wk = 0.0021834 k( 343) = ( -0.4994068 0.5005932 0.2500000), wk = 0.0021834 k( 344) = ( -0.4994068 0.5005932 0.2631579), wk = 0.0021834 k( 345) = ( -0.4994068 0.5005932 0.2763158), wk = 0.0021834 k( 346) = ( -0.4994068 0.5005932 0.2894737), wk = 0.0021834 k( 347) = ( -0.4994068 0.5005932 0.3026316), wk = 0.0021834 k( 348) = ( -0.4994068 0.5005932 0.3157895), wk = 0.0021834 k( 349) = ( -0.4994068 0.5005932 0.3289474), wk = 0.0021834 k( 350) = ( -0.4994068 0.5005932 0.3421053), wk = 0.0021834 k( 351) = ( -0.4994068 0.5005932 0.3552632), wk = 0.0021834 k( 352) = ( -0.4994068 0.5005932 0.3684211), wk = 0.0021834 k( 353) = ( -0.4994068 0.5005932 0.3815790), wk = 0.0021834 k( 354) = ( -0.4994068 0.5005932 0.3947368), wk = 0.0021834 k( 355) = ( -0.4994068 0.5005932 0.4078947), wk = 0.0021834 k( 356) = ( -0.4994068 0.5005932 0.4210526), wk = 0.0021834 k( 357) = ( -0.4994068 0.5005932 0.4342105), wk = 0.0021834 k( 358) = ( -0.4994068 0.5005932 0.4473684), wk = 0.0021834 k( 359) = ( -0.4994068 0.5005932 0.4605263), wk = 0.0021834 k( 360) = ( -0.4994068 0.5005932 0.4736842), wk = 0.0021834 k( 361) = ( -0.4994068 0.5005932 0.4868421), wk = 0.0021834 k( 362) = ( -0.4994068 0.5005932 0.5000000), wk = 0.0021834 k( 363) = ( -0.4994068 0.5005932 0.5000000), wk = 0.0021834 k( 364) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021834 k( 365) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021834 k( 366) = ( -0.5000000 0.5000000 0.4868421), wk = 0.0021834 k( 367) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0021834 k( 368) = ( -0.5000000 0.5000000 0.4605263), wk = 0.0021834 k( 369) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0021834 k( 370) = ( -0.5000000 0.5000000 0.4342105), wk = 0.0021834 k( 371) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0021834 k( 372) = ( -0.5000000 0.5000000 0.4078947), wk = 0.0021834 k( 373) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0021834 k( 374) = ( -0.5000000 0.5000000 0.3815790), wk = 0.0021834 k( 375) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0021834 k( 376) = ( -0.5000000 0.5000000 0.3552632), wk = 0.0021834 k( 377) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0021834 k( 378) = ( -0.5000000 0.5000000 0.3289474), wk = 0.0021834 k( 379) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0021834 k( 380) = ( -0.5000000 0.5000000 0.3026316), wk = 0.0021834 k( 381) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0021834 k( 382) = ( -0.5000000 0.5000000 0.2763158), wk = 0.0021834 k( 383) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0021834 k( 384) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0021834 k( 385) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0021834 k( 386) = ( -0.5000000 0.5000000 0.2236842), wk = 0.0021834 k( 387) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0021834 k( 388) = ( -0.5000000 0.5000000 0.1973684), wk = 0.0021834 k( 389) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0021834 k( 390) = ( -0.5000000 0.5000000 0.1710526), wk = 0.0021834 k( 391) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0021834 k( 392) = ( -0.5000000 0.5000000 0.1447368), wk = 0.0021834 k( 393) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0021834 k( 394) = ( -0.5000000 0.5000000 0.1184211), wk = 0.0021834 k( 395) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0021834 k( 396) = ( -0.5000000 0.5000000 0.0921053), wk = 0.0021834 k( 397) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0021834 k( 398) = ( -0.5000000 0.5000000 0.0657895), wk = 0.0021834 k( 399) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0021834 k( 400) = ( -0.5000000 0.5000000 0.0394737), wk = 0.0021834 k( 401) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0021834 k( 402) = ( -0.5000000 0.5000000 0.0131579), wk = 0.0021834 k( 403) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021834 k( 404) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021834 k( 405) = ( -0.0092593 0.0092593 0.5000000), wk = 0.0021834 k( 406) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0021834 k( 407) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0021834 k( 408) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0021834 k( 409) = ( -0.0462963 0.0462963 0.5000000), wk = 0.0021834 k( 410) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0021834 k( 411) = ( -0.0648148 0.0648148 0.5000000), wk = 0.0021834 k( 412) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0021834 k( 413) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0021834 k( 414) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0021834 k( 415) = ( -0.1018518 0.1018518 0.5000000), wk = 0.0021834 k( 416) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0021834 k( 417) = ( -0.1203704 0.1203704 0.5000000), wk = 0.0021834 k( 418) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0021834 k( 419) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0021834 k( 420) = ( -0.1481482 0.1481481 0.5000000), wk = 0.0021834 k( 421) = ( -0.1574074 0.1574074 0.5000000), wk = 0.0021834 k( 422) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0021834 k( 423) = ( -0.1759259 0.1759259 0.5000000), wk = 0.0021834 k( 424) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0021834 k( 425) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0021834 k( 426) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0021834 k( 427) = ( -0.2129630 0.2129630 0.5000000), wk = 0.0021834 k( 428) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0021834 k( 429) = ( -0.2314815 0.2314815 0.5000000), wk = 0.0021834 k( 430) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0021834 k( 431) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021834 k( 432) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0021834 k( 433) = ( -0.2685185 0.2685185 0.5000000), wk = 0.0021834 k( 434) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0021834 k( 435) = ( -0.2870370 0.2870370 0.5000000), wk = 0.0021834 k( 436) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0021834 k( 437) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0021834 k( 438) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0021834 k( 439) = ( -0.3240741 0.3240741 0.5000000), wk = 0.0021834 k( 440) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0021834 k( 441) = ( -0.3425926 0.3425926 0.5000000), wk = 0.0021834 k( 442) = ( -0.3518519 0.3518518 0.5000000), wk = 0.0021834 k( 443) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0021834 k( 444) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0021834 k( 445) = ( -0.3796296 0.3796296 0.5000000), wk = 0.0021834 k( 446) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0021834 k( 447) = ( -0.3981481 0.3981481 0.5000000), wk = 0.0021834 k( 448) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0021834 k( 449) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0021834 k( 450) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0021834 k( 451) = ( -0.4351852 0.4351852 0.5000000), wk = 0.0021834 k( 452) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0021834 k( 453) = ( -0.4537037 0.4537037 0.5000000), wk = 0.0021834 k( 454) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0021834 k( 455) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0021834 k( 456) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0021834 k( 457) = ( -0.4907407 0.4907407 0.5000000), wk = 0.0021834 k( 458) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021834 Dense grid: 47677 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 23099 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 132, 44) NL pseudopotentials 0.09 Mb ( 66, 92) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 993) G-vector shells 0.00 Mb ( 513) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 132, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.12 Mb ( 92, 2, 44) The potential is recalculated from file : ./ZrPbO3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.7 secs Computing kpt #: 2 total cpu time spent up to now is 43.8 secs Computing kpt #: 3 total cpu time spent up to now is 44.9 secs Computing kpt #: 4 total cpu time spent up to now is 46.0 secs Computing kpt #: 5 total cpu time spent up to now is 47.1 secs Computing kpt #: 6 total cpu time spent up to now is 48.2 secs Computing kpt #: 7 total cpu time spent up to now is 49.2 secs Computing kpt #: 8 total cpu time spent up to now is 50.3 secs Computing kpt #: 9 total cpu time spent up to now is 51.3 secs Computing kpt #: 10 total cpu time spent up to now is 52.3 secs Computing kpt #: 11 total cpu time spent up to now is 53.4 secs Computing kpt #: 12 total cpu time spent up to now is 54.3 secs Computing kpt #: 13 total cpu time spent up to now is 55.3 secs Computing kpt #: 14 total cpu time spent up to now is 56.3 secs Computing kpt #: 15 total cpu time spent up to now is 57.3 secs Computing kpt #: 16 total cpu time spent up to now is 58.4 secs Computing kpt #: 17 total cpu time spent up to now is 59.4 secs Computing kpt #: 18 total cpu time spent up to now is 60.5 secs Computing kpt #: 19 total cpu time spent up to now is 61.6 secs Computing kpt #: 20 total cpu time spent up to now is 62.6 secs Computing kpt #: 21 total cpu time spent up to now is 63.7 secs Computing kpt #: 22 total cpu time spent up to now is 64.9 secs Computing kpt #: 23 total cpu time spent up to now is 66.2 secs Computing kpt #: 24 total cpu time spent up to now is 67.5 secs Computing kpt #: 25 total cpu time spent up to now is 69.0 secs Computing kpt #: 26 total cpu time spent up to now is 70.6 secs Computing kpt #: 27 total cpu time spent up to now is 72.1 secs Computing kpt #: 28 total cpu time spent up to now is 73.6 secs Computing kpt #: 29 total cpu time spent up to now is 75.0 secs Computing kpt #: 30 total cpu time spent up to now is 76.3 secs Computing kpt #: 31 total cpu time spent up to now is 77.9 secs Computing kpt #: 32 total cpu time spent up to now is 79.2 secs Computing kpt #: 33 total cpu time spent up to now is 80.6 secs Computing kpt #: 34 total cpu time spent up to now is 81.8 secs Computing kpt #: 35 total cpu time spent up to now is 83.1 secs Computing kpt #: 36 total cpu time spent up to now is 84.4 secs Computing kpt #: 37 total cpu time spent up to now is 85.7 secs Computing kpt #: 38 total cpu time spent up to now is 87.0 secs Computing kpt #: 39 total cpu time spent up to now is 88.1 secs Computing kpt #: 40 total cpu time spent up to now is 89.4 secs Computing kpt #: 41 total cpu time spent up to now is 90.7 secs Computing kpt #: 42 total cpu time spent up to now is 92.1 secs Computing kpt #: 43 total cpu time spent up to now is 93.5 secs Computing kpt #: 44 total cpu time spent up to now is 94.9 secs Computing kpt #: 45 total cpu time spent up to now is 96.3 secs Computing kpt #: 46 total cpu time spent up to now is 97.9 secs Computing kpt #: 47 total cpu time spent up to now is 99.4 secs Computing kpt #: 48 total cpu time spent up to now is 100.8 secs Computing kpt #: 49 total cpu time spent up to now is 102.3 secs Computing kpt #: 50 total cpu time spent up to now is 103.7 secs Computing kpt #: 51 total cpu time spent up to now is 105.1 secs Computing kpt #: 52 total cpu time spent up to now is 106.5 secs Computing kpt #: 53 total cpu time spent up to now is 107.9 secs Computing kpt #: 54 total cpu time spent up to now is 109.4 secs Computing kpt #: 55 total cpu time spent up to now is 110.9 secs Computing kpt #: 56 total cpu time spent up to now is 112.3 secs Computing kpt #: 57 total cpu time spent up to now is 113.7 secs Computing kpt #: 58 total cpu time spent up to now is 115.1 secs Computing kpt #: 59 total cpu time spent up to now is 116.5 secs Computing kpt #: 60 total cpu time spent up to now is 118.0 secs Computing kpt #: 61 total cpu time spent up to now is 119.3 secs Computing kpt #: 62 total cpu time spent up to now is 120.7 secs Computing kpt #: 63 total cpu time spent up to now is 122.1 secs Computing kpt #: 64 total cpu time spent up to now is 123.4 secs Computing kpt #: 65 total cpu time spent up to now is 124.8 secs Computing kpt #: 66 total cpu time spent up to now is 126.1 secs Computing kpt #: 67 total cpu time spent up to now is 127.5 secs Computing kpt #: 68 total cpu time spent up to now is 128.8 secs Computing kpt #: 69 total cpu time spent up to now is 130.1 secs Computing kpt #: 70 total cpu time spent up to now is 131.4 secs Computing kpt #: 71 total cpu time spent up to now is 132.7 secs Computing kpt #: 72 total cpu time spent up to now is 134.1 secs Computing kpt #: 73 total cpu time spent up to now is 135.4 secs Computing kpt #: 74 total cpu time spent up to now is 136.7 secs Computing kpt #: 75 total cpu time spent up to now is 138.0 secs Computing kpt #: 76 total cpu time spent up to now is 139.3 secs Computing kpt #: 77 total cpu time spent up to now is 140.8 secs Computing kpt #: 78 total cpu time spent up to now is 142.2 secs Computing kpt #: 79 total cpu time spent up to now is 143.6 secs Computing kpt #: 80 total cpu time spent up to now is 145.1 secs Computing kpt #: 81 total cpu time spent up to now is 146.5 secs Computing kpt #: 82 total cpu time spent up to now is 147.9 secs Computing kpt #: 83 total cpu time spent up to now is 149.3 secs Computing kpt #: 84 total cpu time spent up to now is 150.7 secs Computing kpt #: 85 total cpu time spent up to now is 152.1 secs Computing kpt #: 86 total cpu time spent up to now is 153.4 secs Computing kpt #: 87 total cpu time spent up to now is 154.7 secs Computing kpt #: 88 total cpu time spent up to now is 156.0 secs Computing kpt #: 89 total cpu time spent up to now is 157.4 secs Computing kpt #: 90 total cpu time spent up to now is 158.7 secs Computing kpt #: 91 total cpu time spent up to now is 160.0 secs Computing kpt #: 92 total cpu time spent up to now is 161.3 secs Computing kpt #: 93 total cpu time spent up to now is 162.5 secs Computing kpt #: 94 total cpu time spent up to now is 163.8 secs Computing kpt #: 95 total cpu time spent up to now is 165.1 secs Computing kpt #: 96 total cpu time spent up to now is 166.4 secs Computing kpt #: 97 total cpu time spent up to now is 167.7 secs Computing kpt #: 98 total cpu time spent up to now is 169.0 secs Computing kpt #: 99 total cpu time spent up to now is 170.4 secs Computing kpt #: 100 total cpu time spent up to now is 171.8 secs Computing kpt #: 101 total cpu time spent up to now is 173.1 secs Computing kpt #: 102 total cpu time spent up to now is 174.5 secs Computing kpt #: 103 total cpu time spent up to now is 175.9 secs Computing kpt #: 104 total cpu time spent up to now is 177.3 secs Computing kpt #: 105 total cpu time spent up to now is 178.6 secs Computing kpt #: 106 total cpu time spent up to now is 180.0 secs Computing kpt 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total cpu time spent up to now is 201.8 secs Computing kpt #: 123 total cpu time spent up to now is 203.1 secs Computing kpt #: 124 total cpu time spent up to now is 204.5 secs Computing kpt #: 125 total cpu time spent up to now is 205.9 secs Computing kpt #: 126 total cpu time spent up to now is 207.3 secs Computing kpt #: 127 total cpu time spent up to now is 208.7 secs Computing kpt #: 128 total cpu time spent up to now is 210.1 secs Computing kpt #: 129 total cpu time spent up to now is 211.5 secs Computing kpt #: 130 total cpu time spent up to now is 212.9 secs Computing kpt #: 131 total cpu time spent up to now is 214.4 secs Computing kpt #: 132 total cpu time spent up to now is 215.8 secs Computing kpt #: 133 total cpu time spent up to now is 217.1 secs Computing kpt #: 134 total cpu time spent up to now is 218.5 secs Computing kpt #: 135 total cpu time spent up to now is 219.9 secs Computing kpt #: 136 total cpu time spent up to now is 221.4 secs Computing kpt #: 137 total cpu time spent up to now is 222.8 secs Computing kpt #: 138 total cpu time spent up to now is 224.2 secs Computing kpt #: 139 total cpu time spent up to now is 225.4 secs Computing kpt #: 140 total cpu time spent up to now is 226.9 secs Computing kpt #: 141 total cpu time spent up to now is 228.3 secs Computing kpt #: 142 total cpu time spent up to now is 229.8 secs Computing kpt #: 143 total cpu time spent up to now is 231.2 secs Computing kpt #: 144 total cpu time spent up to now is 232.6 secs Computing kpt #: 145 total cpu time spent up to now is 234.1 secs Computing kpt #: 146 total cpu time spent up to now is 235.5 secs Computing kpt #: 147 total cpu time spent up to now is 237.0 secs Computing kpt #: 148 total cpu time spent up to now is 238.4 secs Computing kpt #: 149 total cpu time spent up to now is 239.8 secs Computing kpt #: 150 total cpu time spent up to now is 241.2 secs Computing kpt #: 151 total cpu time spent up to now is 242.7 secs Computing kpt #: 152 total cpu time spent up to now is 244.1 secs Computing kpt #: 153 total cpu time spent up to now is 245.5 secs Computing kpt #: 154 total cpu time spent up to now is 246.9 secs Computing kpt #: 155 total cpu time spent up to now is 248.3 secs Computing kpt #: 156 total cpu time spent up to now is 249.7 secs Computing kpt #: 157 total cpu time spent up to now is 251.1 secs Computing kpt #: 158 total cpu time spent up to now is 252.5 secs Computing kpt #: 159 total cpu time spent up to now is 253.8 secs Computing kpt #: 160 total cpu time spent up to now is 255.2 secs Computing kpt #: 161 total cpu time spent up to now is 256.5 secs Computing kpt #: 162 total cpu time spent up to now is 258.0 secs Computing kpt #: 163 total cpu time spent up to now is 259.5 secs Computing kpt #: 164 total cpu time spent up to now is 261.0 secs Computing kpt #: 165 total cpu time spent up to now is 262.5 secs Computing kpt #: 166 total cpu time spent up to now is 264.0 secs Computing kpt #: 167 total cpu time spent up to now is 265.6 secs Computing kpt #: 168 total cpu time spent up to now is 267.1 secs Computing kpt #: 169 total cpu time spent up to now is 269.3 secs Computing kpt #: 170 total cpu time spent up to now is 270.8 secs Computing kpt #: 171 total cpu time spent up to now is 272.6 secs Computing kpt #: 172 total cpu time spent up to now is 274.4 secs Computing kpt #: 173 total cpu time spent up to now is 275.9 secs Computing kpt #: 174 total cpu time spent up to now is 277.4 secs Computing kpt #: 175 total cpu time spent up to now is 279.2 secs Computing kpt #: 176 total cpu time spent up to now is 280.7 secs Computing kpt #: 177 total cpu time spent up to now is 282.1 secs Computing kpt #: 178 total cpu time spent up to now is 283.7 secs Computing kpt #: 179 total cpu time spent up to now is 285.2 secs Computing kpt #: 180 total cpu time spent up to now is 286.7 secs Computing kpt #: 181 total cpu time spent up to now is 288.4 secs Computing kpt #: 182 total cpu time spent up to now is 290.4 secs Computing kpt #: 183 total cpu time spent up to now is 291.9 secs Computing kpt #: 184 total cpu time spent up to now is 293.3 secs Computing kpt #: 185 total cpu time spent up to now is 294.6 secs Computing kpt #: 186 total cpu time spent up to now is 296.0 secs Computing kpt #: 187 total cpu time spent up to now is 297.5 secs Computing kpt #: 188 total cpu time spent up to now is 298.9 secs Computing kpt #: 189 total cpu time spent up to now is 300.2 secs Computing kpt #: 190 total cpu time spent up to now is 301.7 secs Computing kpt #: 191 total cpu time spent up to now is 303.1 secs Computing kpt #: 192 total cpu time spent up to now is 304.4 secs Computing kpt #: 193 total cpu time spent up to now is 305.7 secs Computing kpt #: 194 total cpu time spent up to now is 307.1 secs Computing kpt #: 195 total cpu time spent up to now is 308.5 secs Computing kpt #: 196 total cpu time spent up to now is 309.9 secs Computing kpt #: 197 total cpu time spent up to now is 311.2 secs Computing kpt #: 198 total cpu time spent up to now is 312.6 secs Computing kpt #: 199 total cpu time spent up to now is 314.0 secs Computing kpt #: 200 total cpu time spent up to now is 315.4 secs Computing kpt #: 201 total cpu time spent up to now is 316.8 secs Computing kpt #: 202 total cpu time spent up to now is 318.2 secs Computing kpt #: 203 total cpu time spent up to now is 319.5 secs Computing kpt #: 204 total cpu time spent up to now is 321.0 secs Computing kpt #: 205 total cpu time spent up to now is 322.4 secs Computing kpt #: 206 total cpu time spent up to now is 323.9 secs Computing kpt #: 207 total cpu time spent up to now is 325.2 secs Computing kpt #: 208 total cpu time spent up to now is 326.7 secs Computing kpt #: 209 total cpu time spent up to now is 328.2 secs Computing kpt #: 210 total cpu time spent up to now is 329.7 secs Computing kpt #: 211 total cpu time spent up to now is 331.3 secs Computing kpt #: 212 total cpu time spent up to now is 332.8 secs Computing kpt #: 213 total cpu time spent up to now is 334.2 secs Computing kpt #: 214 total cpu time spent up to now is 335.7 secs Computing kpt #: 215 total cpu time spent up to now is 337.1 secs Computing kpt #: 216 total cpu time spent up to now is 338.5 secs Computing kpt #: 217 total cpu time spent up to now is 339.9 secs Computing kpt #: 218 total cpu time spent up to now is 341.2 secs Computing kpt #: 219 total cpu time spent up to now is 342.5 secs Computing kpt #: 220 total cpu time spent up to now is 343.9 secs Computing kpt #: 221 total cpu time spent up to now is 345.2 secs Computing kpt #: 222 total cpu time spent up to now is 346.5 secs Computing kpt #: 223 total cpu time spent up to now is 347.8 secs Computing kpt #: 224 total cpu time spent up to now is 349.1 secs Computing kpt #: 225 total cpu time spent up to now is 350.4 secs Computing kpt #: 226 total cpu time spent up to now is 351.7 secs Computing kpt #: 227 total cpu time spent up to now is 352.9 secs Computing kpt #: 228 total cpu time spent up to now is 354.2 secs Computing kpt #: 229 total cpu time spent up to now is 355.5 secs Computing kpt #: 230 total cpu time spent up to now is 356.8 secs Computing kpt #: 231 total cpu time spent up to now is 358.0 secs Computing kpt #: 232 total cpu time spent up to now is 359.3 secs Computing kpt #: 233 total cpu time spent up to now is 360.7 secs Computing kpt #: 234 total cpu time spent up to now is 362.1 secs Computing kpt #: 235 total cpu time spent up to now is 363.4 secs Computing kpt #: 236 total cpu time spent up to now is 364.8 secs Computing kpt #: 237 total cpu time spent up to now is 366.2 secs Computing kpt #: 238 total cpu time spent up to now is 367.6 secs Computing kpt #: 239 total cpu time spent up to now is 368.7 secs Computing kpt #: 240 total cpu time spent up to now is 370.0 secs Computing kpt #: 241 total cpu time spent up to now is 371.2 secs Computing kpt #: 242 total cpu time spent up to now is 372.3 secs Computing kpt #: 243 total cpu time spent up to now is 373.7 secs Computing kpt #: 244 total cpu time spent up to now is 374.9 secs Computing kpt #: 245 total cpu time spent up to now is 376.0 secs Computing kpt #: 246 total cpu time spent up to now is 377.1 secs Computing kpt #: 247 total cpu time spent up to now is 378.3 secs Computing kpt #: 248 total cpu time spent up to now is 379.5 secs Computing kpt #: 249 total cpu time spent up to now is 380.8 secs Computing kpt #: 250 total cpu time spent up to now is 381.9 secs Computing kpt #: 251 total cpu time spent up to now is 383.0 secs Computing kpt #: 252 total cpu time spent up to now is 384.1 secs Computing kpt #: 253 total cpu time spent up to now is 385.1 secs Computing kpt #: 254 total cpu time spent up to now is 386.2 secs Computing kpt #: 255 total cpu time spent up to now is 387.3 secs Computing kpt #: 256 total cpu time spent up to now is 388.4 secs Computing kpt #: 257 total cpu time spent up to now is 389.5 secs Computing kpt #: 258 total cpu time spent up to now is 390.5 secs Computing kpt #: 259 total cpu time spent up to now is 391.6 secs Computing kpt #: 260 total cpu time spent up to now is 392.5 secs Computing kpt #: 261 total cpu time spent up to now is 393.5 secs Computing kpt #: 262 total cpu time spent up to now is 394.5 secs Computing kpt #: 263 total cpu time spent up to now is 395.6 secs Computing kpt #: 264 total cpu time spent up to now is 396.6 secs Computing kpt #: 265 total cpu time spent up to now is 397.7 secs Computing kpt #: 266 total cpu time spent up to now is 398.7 secs Computing kpt #: 267 total cpu time spent up to now is 399.7 secs Computing kpt #: 268 total cpu time spent up to now is 400.8 secs Computing kpt #: 269 total cpu time spent up to now is 401.8 secs Computing kpt #: 270 total cpu time spent up to now is 402.8 secs Computing kpt #: 271 total cpu time spent up to now is 404.1 secs Computing kpt #: 272 total cpu time spent up to now is 405.1 secs Computing kpt #: 273 total cpu time spent up to now is 406.2 secs Computing kpt #: 274 total cpu time spent up to now is 407.2 secs Computing kpt #: 275 total cpu time spent up to now is 408.2 secs Computing kpt #: 276 total cpu time spent up to now is 409.3 secs Computing kpt #: 277 total cpu time spent up to now is 410.4 secs Computing kpt #: 278 total cpu time spent up to now is 411.4 secs Computing kpt #: 279 total cpu time spent up to now is 412.5 secs Computing kpt #: 280 total cpu time spent up to now is 413.5 secs Computing kpt #: 281 total cpu time spent up to now is 414.5 secs Computing kpt #: 282 total cpu time spent up to now is 415.6 secs Computing kpt #: 283 total cpu time spent up to now is 416.6 secs Computing kpt #: 284 total cpu time spent up to now is 417.7 secs Computing kpt #: 285 total cpu time spent up to now is 418.7 secs Computing kpt #: 286 total cpu time spent up to now is 419.8 secs Computing kpt #: 287 total cpu time spent up to now is 421.0 secs Computing kpt #: 288 total cpu time spent up to now is 422.1 secs Computing kpt #: 289 total cpu time spent up to now is 423.4 secs Computing kpt #: 290 total cpu time spent up to now is 424.8 secs Computing kpt #: 291 total cpu time spent up to now is 426.1 secs Computing kpt #: 292 total cpu time spent up to now is 427.4 secs Computing kpt #: 293 total cpu time spent up to now is 428.8 secs Computing kpt #: 294 total cpu time spent up to now is 430.3 secs Computing kpt #: 295 total cpu time spent up to now is 431.6 secs Computing kpt #: 296 total cpu time spent up to now is 432.9 secs Computing kpt #: 297 total cpu time spent up to now is 434.2 secs Computing kpt #: 298 total cpu time spent up to now is 435.5 secs Computing kpt #: 299 total cpu time spent up to now is 436.7 secs Computing kpt #: 300 total cpu time spent up to now is 437.9 secs Computing kpt #: 301 total cpu time spent up to now is 439.1 secs Computing kpt #: 302 total cpu time spent up to now is 440.4 secs Computing kpt #: 303 total cpu time spent up to now is 441.7 secs Computing kpt #: 304 total cpu time spent up to now is 443.0 secs Computing kpt #: 305 total cpu time spent up to now is 444.2 secs Computing kpt #: 306 total cpu time spent up to now is 445.6 secs Computing kpt #: 307 total cpu time spent up to now is 447.0 secs Computing kpt #: 308 total cpu time spent up to now is 448.3 secs Computing kpt #: 309 total cpu time spent up to now is 449.6 secs Computing kpt #: 310 total cpu time spent up to now is 450.9 secs Computing kpt #: 311 total cpu time spent up to now is 452.2 secs Computing kpt #: 312 total cpu time spent up to now is 453.8 secs Computing kpt #: 313 total cpu time spent up to now is 455.1 secs Computing kpt #: 314 total cpu time spent up to now is 456.5 secs Computing kpt #: 315 total cpu time spent up to now is 457.8 secs Computing kpt #: 316 total cpu time spent up to now is 459.3 secs Computing kpt #: 317 total cpu time spent up to now is 460.5 secs Computing kpt #: 318 total cpu time spent up to now is 461.8 secs Computing kpt #: 319 total cpu time spent up to now is 463.2 secs Computing kpt #: 320 total cpu time spent up to now is 464.6 secs Computing kpt #: 321 total cpu time spent up to now is 466.0 secs Computing kpt #: 322 total cpu time spent up to now is 467.3 secs Computing kpt #: 323 total cpu time spent up to now is 468.7 secs Computing kpt #: 324 total cpu time spent up to now is 470.2 secs Computing kpt #: 325 total cpu time spent up to now is 471.7 secs Computing kpt #: 326 total cpu time spent up to now is 473.1 secs Computing kpt #: 327 total cpu time spent up to now is 474.6 secs Computing kpt #: 328 total cpu time spent up to now is 476.1 secs Computing kpt #: 329 total cpu time spent up to now is 477.6 secs Computing kpt #: 330 total cpu time spent up to now is 479.0 secs Computing kpt #: 331 total cpu time spent up to now is 480.5 secs Computing kpt #: 332 total cpu time spent up to now is 481.9 secs Computing kpt #: 333 total cpu time spent up to now is 483.4 secs Computing kpt #: 334 total cpu time spent up to now is 484.8 secs Computing kpt #: 335 total cpu time spent up to now is 486.2 secs Computing kpt #: 336 total cpu time spent up to now is 487.7 secs Computing kpt #: 337 total cpu time spent up to now is 489.2 secs Computing kpt #: 338 total cpu time spent up to now is 490.6 secs Computing kpt #: 339 total cpu time spent up to now is 492.1 secs Computing kpt #: 340 total cpu time spent up to now is 493.5 secs Computing kpt #: 341 total cpu time spent up to now is 494.9 secs Computing kpt #: 342 total cpu time spent up to now is 496.4 secs Computing kpt #: 343 total cpu time spent up to now is 497.8 secs Computing kpt #: 344 total cpu time spent up to now is 499.2 secs Computing kpt #: 345 total cpu time spent up to now is 500.7 secs Computing kpt #: 346 total cpu time spent up to now is 502.1 secs Computing kpt #: 347 total cpu time spent up to now is 503.5 secs Computing kpt #: 348 total cpu time spent up to now is 505.1 secs Computing kpt #: 349 total cpu time spent up to now is 506.5 secs Computing kpt #: 350 total cpu time spent up to now is 508.1 secs Computing kpt #: 351 total cpu time spent up to now is 509.6 secs Computing kpt #: 352 total cpu time spent up to now is 511.2 secs Computing kpt #: 353 total cpu time spent up to now is 512.8 secs Computing kpt #: 354 total cpu time spent up to now is 514.3 secs Computing kpt #: 355 total cpu time spent up to now is 515.9 secs Computing kpt #: 356 total cpu time spent up to now is 517.7 secs Computing kpt #: 357 total cpu time spent up to now is 520.3 secs Computing kpt #: 358 total cpu time spent up to now is 521.8 secs Computing kpt #: 359 total cpu time spent up to now is 523.6 secs Computing kpt #: 360 total cpu time spent up to now is 525.4 secs Computing kpt #: 361 total cpu time spent up to now is 526.8 secs Computing kpt #: 362 total cpu time spent up to now is 528.4 secs Computing kpt #: 363 total cpu time spent up to now is 530.3 secs Computing kpt #: 364 total cpu time spent up to now is 531.7 secs Computing kpt #: 365 total cpu time spent up to now is 533.2 secs Computing kpt #: 366 total cpu time spent up to now is 534.7 secs Computing kpt #: 367 total cpu time spent up to now is 536.5 secs Computing kpt #: 368 total cpu time spent up to now is 538.3 secs Computing kpt #: 369 total cpu time spent up to now is 540.5 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 543.3 secs Computing kpt #: 371 total cpu time spent up to now is 544.8 secs Computing kpt #: 372 total cpu time spent up to now is 547.0 secs Computing kpt #: 373 total cpu time spent up to now is 548.6 secs Computing kpt #: 374 total cpu time spent up to now is 550.5 secs Computing kpt #: 375 total cpu time spent up to now is 552.1 secs Computing kpt #: 376 total cpu time spent up to now is 553.6 secs Computing kpt #: 377 total cpu time spent up to now is 555.2 secs Computing kpt #: 378 total cpu time spent up to now is 556.6 secs Computing kpt #: 379 total cpu time spent up to now is 558.1 secs Computing kpt #: 380 total cpu time spent up to now is 559.4 secs Computing kpt #: 381 total cpu time spent up to now is 560.9 secs Computing kpt #: 382 total cpu time spent up to now is 562.5 secs Computing kpt #: 383 total cpu time spent up to now is 564.0 secs Computing kpt #: 384 total cpu time spent up to now is 565.5 secs Computing kpt #: 385 total cpu time spent up to now is 567.0 secs Computing kpt #: 386 total cpu time spent up to now is 568.4 secs Computing kpt #: 387 total cpu time spent up to now is 569.8 secs Computing kpt #: 388 total cpu time spent up to now is 571.2 secs Computing kpt #: 389 total cpu time spent up to now is 572.7 secs Computing kpt #: 390 total cpu time spent up to now is 574.2 secs Computing kpt #: 391 total cpu time spent up to now is 575.7 secs Computing kpt #: 392 total cpu time spent up to now is 577.1 secs Computing kpt #: 393 total cpu time spent up to now is 578.6 secs Computing kpt #: 394 total cpu time spent up to now is 580.0 secs Computing kpt #: 395 total cpu time spent up to now is 581.4 secs Computing kpt #: 396 total cpu time spent up to now is 582.9 secs Computing kpt #: 397 total cpu time spent up to now is 584.4 secs Computing kpt #: 398 total cpu time spent up to now is 585.8 secs Computing kpt #: 399 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 588.7 secs Computing kpt #: 400 total cpu time spent up to now is 590.8 secs Computing kpt #: 401 total cpu time spent up to now is 592.9 secs Computing kpt #: 402 total cpu time spent up to now is 595.0 secs Computing kpt #: 403 total cpu time spent up to now is 596.4 secs Computing kpt #: 404 total cpu time spent up to now is 597.6 secs Computing kpt #: 405 total cpu time spent up to now is 598.8 secs Computing kpt #: 406 total cpu time spent up to now is 600.1 secs Computing kpt #: 407 total cpu time spent up to now is 601.4 secs Computing kpt #: 408 total cpu time spent up to now is 602.8 secs Computing kpt #: 409 total cpu time spent up to now is 604.0 secs Computing kpt #: 410 total cpu time spent up to now is 605.3 secs Computing kpt #: 411 total cpu time spent up to now is 606.6 secs Computing kpt #: 412 total cpu time spent up to now is 607.9 secs Computing kpt #: 413 total cpu time spent up to now is 609.3 secs Computing kpt #: 414 total cpu time spent up to now is 610.7 secs Computing kpt #: 415 total cpu time spent up to now is 612.1 secs Computing kpt #: 416 total cpu time spent up to now is 613.5 secs Computing kpt #: 417 total cpu time spent up to now is 615.0 secs Computing kpt #: 418 total cpu time spent up to now is 616.4 secs Computing kpt #: 419 total cpu time spent up to now is 617.9 secs Computing kpt #: 420 total cpu time spent up to now is 619.4 secs Computing kpt #: 421 total cpu time spent up to now is 621.0 secs Computing kpt #: 422 total cpu time spent up to now is 622.6 secs Computing kpt #: 423 total cpu time spent up to now is 624.3 secs Computing kpt #: 424 total cpu time spent up to now is 625.7 secs Computing kpt #: 425 total cpu time spent up to now is 627.2 secs Computing kpt #: 426 total cpu time spent up to now is 628.6 secs Computing kpt #: 427 total cpu time spent up to now is 630.0 secs Computing kpt #: 428 total cpu time spent up to now is 631.3 secs Computing kpt #: 429 total cpu time spent up to now is 632.8 secs Computing kpt #: 430 total cpu time spent up to now is 634.2 secs Computing kpt #: 431 total cpu time spent up to now is 635.6 secs Computing kpt #: 432 total cpu time spent up to now is 637.0 secs Computing kpt #: 433 total cpu time spent up to now is 638.4 secs Computing kpt #: 434 total cpu time spent up to now is 639.8 secs Computing kpt #: 435 total cpu time spent up to now is 641.1 secs Computing kpt #: 436 total cpu time spent up to now is 642.6 secs Computing kpt #: 437 total cpu time spent up to now is 644.0 secs Computing kpt #: 438 total cpu time spent up to now is 645.3 secs Computing kpt #: 439 total cpu time spent up to now is 646.7 secs Computing kpt #: 440 total cpu time spent up to now is 648.1 secs Computing kpt #: 441 total cpu time spent up to now is 649.5 secs Computing kpt #: 442 total cpu time spent up to now is 650.9 secs Computing kpt #: 443 total cpu time spent up to now is 652.2 secs Computing kpt #: 444 total cpu time spent up to now is 653.6 secs Computing kpt #: 445 total cpu time spent up to now is 654.9 secs Computing kpt #: 446 total cpu time spent up to now is 656.3 secs Computing kpt #: 447 total cpu time spent up to now is 657.6 secs Computing kpt #: 448 total cpu time spent up to now is 658.9 secs Computing kpt #: 449 total cpu time spent up to now is 660.4 secs Computing kpt #: 450 total cpu time spent up to now is 661.8 secs Computing kpt #: 451 total cpu time spent up to now is 663.3 secs Computing kpt #: 452 total cpu time spent up to now is 665.4 secs Computing kpt #: 453 total cpu time spent up to now is 666.9 secs Computing kpt #: 454 total cpu time spent up to now is 668.4 secs Computing kpt #: 455 total cpu time spent up to now is 669.9 secs Computing kpt #: 456 total cpu time spent up to now is 671.4 secs Computing kpt #: 457 total cpu time spent up to now is 673.1 secs Computing kpt #: 458 total cpu time spent up to now is 674.6 secs ethr = 2.78E-11, avg # of iterations = 39.3 total cpu time spent up to now is 674.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2929 PWs) bands (ev): -9.2927 -9.2927 -9.2876 -9.2876 -9.0076 -9.0076 -8.2784 -8.2784 -8.2362 -8.2362 -6.6623 -6.6623 -6.6373 -6.6373 -6.6323 -6.6323 1.7593 1.7593 5.0540 5.0540 5.3872 5.3872 5.4125 5.4125 7.0017 7.0017 7.0265 7.0265 7.0502 7.0502 7.6955 7.6955 7.8547 7.8547 7.8822 7.8822 11.2195 11.2195 11.3120 11.3120 11.4025 11.4025 12.7560 12.7560 k = 0.0092 0.0093-0.0000 ( 2925 PWs) bands (ev): -9.2927 -9.2926 -9.2877 -9.2873 -9.0070 -9.0069 -8.2783 -8.2782 -8.2366 -8.2351 -6.6623 -6.6623 -6.6375 -6.6373 -6.6327 -6.6320 1.7575 1.7580 5.0440 5.0654 5.3727 5.4032 5.4089 5.4173 6.9999 7.0026 7.0237 7.0264 7.0486 7.0487 7.6894 7.6964 7.8475 7.8554 7.8802 7.8815 11.2200 11.2245 11.3144 11.3148 11.4042 11.4054 12.7517 12.7547 k = 0.0185 0.0185-0.0000 ( 2917 PWs) bands (ev): -9.2927 -9.2925 -9.2876 -9.2869 -9.0052 -9.0048 -8.2780 -8.2777 -8.2362 -8.2334 -6.6624 -6.6623 -6.6379 -6.6375 -6.6330 -6.6316 1.7524 1.7534 5.0356 5.0781 5.3599 5.4057 5.4215 5.4233 6.9964 7.0019 7.0185 7.0241 7.0440 7.0444 7.6782 7.6922 7.8339 7.8497 7.8755 7.8781 11.2259 11.2348 11.3222 11.3225 11.4104 11.4128 12.7416 12.7478 k = 0.0277 0.0278-0.0000 ( 2921 PWs) bands (ev): -9.2927 -9.2923 -9.2874 -9.2864 -9.0021 -9.0015 -8.2773 -8.2769 -8.2351 -8.2309 -6.6626 -6.6625 -6.6384 -6.6378 -6.6332 -6.6311 1.7442 1.7456 5.0287 5.0918 5.3487 5.4037 5.4307 5.4411 6.9896 6.9966 7.0141 7.0209 7.0366 7.0376 7.6618 7.6826 7.8144 7.8377 7.8685 7.8721 11.2372 11.2500 11.3351 11.3353 11.4213 11.4250 12.7256 12.7356 k = 0.0370 0.0370-0.0000 ( 2921 PWs) bands (ev): -9.2926 -9.2921 -9.2870 -9.2857 -8.9976 -8.9969 -8.2764 -8.2758 -8.2334 -8.2277 -6.6628 -6.6626 -6.6391 -6.6384 -6.6335 -6.6307 1.7329 1.7348 5.0232 5.1061 5.3392 5.4024 5.4396 5.4624 6.9780 6.9837 7.0133 7.0166 7.0265 7.0301 7.6403 7.6674 7.7896 7.8194 7.8598 7.8640 11.2533 11.2694 11.3521 11.3539 11.4371 11.4421 12.7039 12.7186 k = 0.0462 0.0463-0.0000 ( 2925 PWs) bands (ev): -9.2925 -9.2918 -9.2865 -9.2849 -8.9920 -8.9911 -8.2753 -8.2743 -8.2309 -8.2238 -6.6631 -6.6629 -6.6399 -6.6391 -6.6337 -6.6302 1.7188 1.7211 5.0190 5.1205 5.3313 5.4017 5.4502 5.4850 6.9613 6.9651 7.0074 7.0102 7.0179 7.0262 7.6137 7.6459 7.7602 7.7950 7.8498 7.8540 11.2737 11.2924 11.3731 11.3776 11.4581 11.4645 12.6765 12.6971 k = 0.0555 0.0556-0.0000 ( 2909 PWs) bands (ev): -9.2924 -9.2915 -9.2858 -9.2839 -8.9850 -8.9840 -8.2738 -8.2726 -8.2276 -8.2193 -6.6633 -6.6632 -6.6407 -6.6399 -6.6339 -6.6297 1.7019 1.7045 5.0160 5.1344 5.3251 5.4017 5.4626 5.5089 6.9400 6.9418 6.9927 6.9957 7.0191 7.0264 7.5822 7.6179 7.7273 7.7651 7.8389 7.8426 11.2980 11.3184 11.3976 11.4060 11.4844 11.4929 12.6436 12.6717 k = 0.0647 0.0648-0.0000 ( 2907 PWs) bands (ev): -9.2923 -9.2912 -9.2849 -9.2829 -8.9769 -8.9757 -8.2720 -8.2705 -8.2237 -8.2140 -6.6637 -6.6636 -6.6417 -6.6408 -6.6340 -6.6292 1.6825 1.6854 5.0139 5.1473 5.3204 5.4022 5.4769 5.5338 6.9143 6.9143 6.9746 6.9774 7.0223 7.0286 7.5461 7.5831 7.6921 7.7305 7.8272 7.8302 11.3253 11.3469 11.4250 11.4381 11.5161 11.5277 12.6053 12.6431 k = 0.0740 0.0741-0.0000 ( 2903 PWs) bands (ev): -9.2922 -9.2909 -9.2840 -9.2818 -8.9675 -8.9663 -8.2700 -8.2681 -8.2191 -8.2080 -6.6641 -6.6640 -6.6428 -6.6419 -6.6342 -6.6286 1.6607 1.6640 5.0124 5.1585 5.3175 5.4033 5.4929 5.5593 6.8827 6.8845 6.9537 6.9566 7.0263 7.0319 7.5058 7.5413 7.6555 7.6920 7.8148 7.8170 11.3551 11.3775 11.4549 11.4731 11.5530 11.5694 12.5620 12.6123 k = 0.0832 0.0833-0.0000 ( 2903 PWs) bands (ev): -9.2921 -9.2906 -9.2829 -9.2806 -8.9570 -8.9557 -8.2677 -8.2654 -8.2137 -8.2014 -6.6646 -6.6646 -6.6439 -6.6431 -6.6343 -6.6281 1.6368 1.6404 5.0114 5.1675 5.3163 5.4048 5.5105 5.5849 6.8471 6.8509 6.9305 6.9336 7.0309 7.0360 7.4614 7.4930 7.6187 7.6510 7.8017 7.8033 11.3867 11.4100 11.4870 11.5103 11.5945 11.6178 12.5142 12.5803 k = 0.0925 0.0926-0.0000 ( 2903 PWs) bands (ev): -9.2920 -9.2903 -9.2817 -9.2793 -8.9454 -8.9439 -8.2650 -8.2623 -8.2077 -8.1942 -6.6652 -6.6652 -6.6450 -6.6444 -6.6344 -6.6275 1.6111 1.6148 5.0106 5.1739 5.3168 5.4068 5.5292 5.6102 6.8076 6.8134 6.9053 6.9084 7.0359 7.0407 7.4133 7.4390 7.5823 7.6088 7.7882 7.7891 11.4190 11.4442 11.5215 11.5496 11.6395 11.6723 12.4621 12.5487 k = 0.1017 0.1019-0.0000 ( 2901 PWs) bands (ev): -9.2919 -9.2900 -9.2804 -9.2780 -8.9327 -8.9312 -8.2620 -8.2588 -8.2009 -8.1863 -6.6659 -6.6658 -6.6461 -6.6457 -6.6345 -6.6269 1.5837 1.5876 5.0097 5.1775 5.3191 5.4093 5.5487 5.6345 6.7643 6.7723 6.8782 6.8814 7.0411 7.0457 7.3617 7.3804 7.5471 7.5670 7.7740 7.7745 11.4509 11.4796 11.5584 11.5909 11.6866 11.7321 12.4065 12.5194 k = 0.1110 0.1111-0.0000 ( 2909 PWs) bands (ev): -9.2918 -9.2897 -9.2791 -9.2767 -8.9190 -8.9174 -8.2587 -8.2549 -8.1935 -8.1778 -6.6667 -6.6665 -6.6472 -6.6471 -6.6345 -6.6264 1.5549 1.5589 5.0086 5.1782 5.3230 5.4122 5.5681 5.6574 6.7171 6.7275 6.8494 6.8528 7.0459 7.0503 7.3072 7.3188 7.5138 7.5271 7.7594 7.7595 11.4810 11.5157 11.5979 11.6344 11.7343 11.7963 12.3481 12.4947 k = 0.1202 0.1204-0.0000 ( 2903 PWs) bands (ev): -9.2917 -9.2895 -9.2777 -9.2754 -8.9044 -8.9027 -8.2549 -8.2505 -8.1855 -8.1687 -6.6676 -6.6673 -6.6485 -6.6483 -6.6345 -6.6257 1.5250 1.5290 5.0069 5.1763 5.3282 5.4157 5.5867 5.6780 6.6662 6.6790 6.8191 6.8226 7.0490 7.0530 7.2515 7.2564 7.4833 7.4905 7.7441 7.7443 11.5073 11.5517 11.6402 11.6802 11.7811 11.8638 12.2882 12.4775 k = 0.1295 0.1296-0.0000 ( 2907 PWs) bands (ev): -9.2916 -9.2893 -9.2763 -9.2740 -8.8889 -8.8872 -8.2508 -8.2457 -8.1768 -8.1590 -6.6686 -6.6681 -6.6498 -6.6493 -6.6345 -6.6251 1.4940 1.4980 5.0044 5.1718 5.3346 5.4197 5.6039 5.6957 6.6116 6.6270 6.7875 6.7912 7.0462 7.0494 7.1984 7.1989 7.4563 7.4582 7.7284 7.7288 11.5277 11.5863 11.6852 11.7280 11.8258 11.9338 12.2283 12.4709 k = 0.1387 0.1389-0.0000 ( 2905 PWs) bands (ev): -9.2916 -9.2891 -9.2749 -9.2727 -8.8725 -8.8708 -8.2461 -8.2404 -8.1675 -8.1488 -6.6696 -6.6690 -6.6512 -6.6503 -6.6344 -6.6245 1.4622 1.4663 5.0010 5.1650 5.3418 5.4242 5.6188 5.7101 6.5536 6.5715 6.7548 6.7586 7.0279 7.0281 7.1571 7.1597 7.4311 7.4334 7.7124 7.7130 11.5395 11.6177 11.7327 11.7778 11.8680 12.0049 12.1716 12.4776 k = 0.1480 0.1481-0.0000 ( 2901 PWs) bands (ev): -9.2916 -9.2890 -9.2735 -9.2714 -8.8555 -8.8537 -8.2410 -8.2345 -8.1576 -8.1381 -6.6706 -6.6700 -6.6525 -6.6512 -6.6342 -6.6238 1.4299 1.4339 4.9964 5.1559 5.3498 5.4293 5.6309 5.7203 6.4925 6.5129 6.7212 6.7251 6.9798 6.9848 7.1421 7.1437 7.4094 7.4151 7.6961 7.6968 11.5407 11.6426 11.7824 11.8292 11.9084 12.0710 12.1272 12.4990 k = 0.1572 0.1574-0.0000 ( 2899 PWs) bands (ev): -9.2917 -9.2890 -9.2721 -9.2702 -8.8379 -8.8361 -8.2354 -8.2281 -8.1471 -8.1269 -6.6717 -6.6710 -6.6537 -6.6520 -6.6340 -6.6231 1.3971 1.4011 4.9904 5.1446 5.3583 5.4349 5.6396 5.7260 6.4285 6.4515 6.6868 6.6907 6.9148 6.9240 7.1440 7.1447 7.3931 7.4016 7.6797 7.6804 11.5300 11.6560 11.8341 11.8817 11.9486 12.0713 12.1608 12.5349 k = 0.1665 0.1667-0.0000 ( 2899 PWs) bands (ev): -9.2918 -9.2891 -9.2707 -9.2690 -8.8197 -8.8179 -8.2291 -8.2211 -8.1361 -8.1152 -6.6728 -6.6720 -6.6549 -6.6528 -6.6337 -6.6224 1.3642 1.3680 4.9829 5.1312 5.3672 5.4413 5.6444 5.7267 6.3623 6.3878 6.6517 6.6558 6.8431 6.8551 7.1533 7.1536 7.3822 7.3927 7.6630 7.6638 11.5079 11.6520 11.8872 11.9341 11.9902 12.0537 12.2311 12.5835 k = 0.1757 0.1759-0.0000 ( 2907 PWs) bands (ev): -9.2919 -9.2893 -9.2694 -9.2678 -8.8011 -8.7993 -8.2223 -8.2134 -8.1246 -8.1031 -6.6739 -6.6731 -6.6561 -6.6536 -6.6333 -6.6217 1.3311 1.3348 4.9736 5.1156 5.3764 5.4482 5.6451 5.7221 6.2943 6.3223 6.6162 6.6203 6.7691 6.7828 7.1662 7.1666 7.3761 7.3883 7.6463 7.6471 11.4758 11.6278 11.9413 11.9840 12.0342 12.0590 12.3020 12.6424 k = 0.1850 0.1852-0.0000 ( 2909 PWs) bands (ev): -9.2922 -9.2895 -9.2681 -9.2667 -8.7823 -8.7803 -8.2148 -8.2050 -8.1126 -8.0906 -6.6750 -6.6742 -6.6571 -6.6543 -6.6328 -6.6209 1.2980 1.3016 4.9625 5.0979 5.3857 5.4558 5.6414 5.7117 6.2254 6.2559 6.5801 6.5844 6.6948 6.7092 7.1815 7.1822 7.3743 7.3877 7.6295 7.6303 11.4363 11.5863 11.9960 12.0280 12.0810 12.0894 12.3709 12.7092 k = 0.1942 0.1944-0.0000 ( 2901 PWs) bands (ev): -9.2925 -9.2899 -9.2669 -9.2657 -8.7632 -8.7612 -8.2065 -8.1959 -8.1002 -8.0777 -6.6760 -6.6753 -6.6581 -6.6549 -6.6322 -6.6201 1.2651 1.2686 4.9495 5.0779 5.3949 5.4640 5.6333 5.6954 6.1561 6.1893 6.5436 6.5480 6.6214 6.6358 7.1986 7.1996 7.3759 7.3902 7.6127 7.6134 11.3916 11.5337 12.0510 12.0681 12.1306 12.1374 12.4362 12.7817 k = 0.2035 0.2037-0.0000 ( 2909 PWs) bands (ev): -9.2929 -9.2904 -9.2658 -9.2648 -8.7441 -8.7420 -8.1975 -8.1860 -8.0875 -8.0645 -6.6771 -6.6763 -6.6590 -6.6556 -6.6316 -6.6192 1.2325 1.2359 4.9343 5.0557 5.4034 5.4727 5.6210 5.6729 6.0876 6.1236 6.5057 6.5106 6.5507 6.5641 7.2171 7.2186 7.3800 7.3948 7.5959 7.5966 11.3440 11.4757 12.1059 12.1093 12.1826 12.1929 12.4965 12.8585 k = 0.2127 0.2130-0.0000 ( 2907 PWs) bands (ev): -9.2933 -9.2911 -9.2647 -9.2639 -8.7251 -8.7229 -8.1876 -8.1753 -8.0743 -8.0510 -6.6780 -6.6774 -6.6599 -6.6562 -6.6308 -6.6183 1.2003 1.2036 4.9170 5.0312 5.4105 5.4817 5.6046 5.6441 6.0209 6.0597 6.4612 6.4686 6.4888 6.4984 7.2369 7.2389 7.3856 7.4006 7.5792 7.5799 11.2954 11.4160 12.1525 12.1603 12.2368 12.2514 12.5505 12.9379 k = 0.2220 0.2222-0.0000 ( 2901 PWs) bands (ev): -9.2939 -9.2918 -9.2637 -9.2631 -8.7063 -8.7039 -8.1769 -8.1638 -8.0608 -8.0372 -6.6789 -6.6783 -6.6607 -6.6568 -6.6299 -6.6174 1.1686 1.1717 4.8974 5.0044 5.4148 5.4903 5.5853 5.6093 5.9573 5.9985 6.4022 6.4114 6.4444 6.4500 7.2578 7.2602 7.3918 7.4066 7.5626 7.5633 11.2475 11.3572 12.1970 12.2140 12.2925 12.3113 12.5971 13.0190 k = 0.2312 0.2315-0.0000 ( 2903 PWs) bands (ev): -9.2946 -9.2927 -9.2628 -9.2623 -8.6878 -8.6852 -8.1652 -8.1514 -8.0471 -8.0233 -6.6797 -6.6793 -6.6614 -6.6574 -6.6288 -6.6164 1.1374 1.1404 4.8756 4.9754 5.4133 5.4958 5.5652 5.5714 5.8980 5.9409 6.3396 6.3466 6.4072 6.4120 7.2795 7.2824 7.3975 7.4117 7.5462 7.5468 11.2014 11.3010 12.2420 12.2668 12.3495 12.3716 12.6357 13.1004 k = 0.2405 0.2407-0.0000 ( 2899 PWs) bands (ev): -9.2953 -9.2938 -9.2620 -9.2616 -8.6697 -8.6670 -8.1527 -8.1381 -8.0331 -8.0091 -6.6805 -6.6801 -6.6621 -6.6579 -6.6276 -6.6153 1.1069 1.1097 4.8516 4.9440 5.4014 5.4846 5.5440 5.5486 5.8442 5.8872 6.2793 6.2827 6.3718 6.3763 7.3018 7.3050 7.4022 7.4154 7.5299 7.5306 11.1584 11.2488 12.2864 12.3182 12.4072 12.4320 12.6665 13.1607 k = 0.2497 0.2500-0.0000 ( 2897 PWs) bands (ev): -9.2962 -9.2949 -9.2613 -9.2610 -8.6521 -8.6492 -8.1391 -8.1240 -8.0189 -7.9949 -6.6812 -6.6809 -6.6628 -6.6585 -6.6262 -6.6142 1.0771 1.0797 4.8253 4.9105 5.3749 5.4418 5.5396 5.5428 5.7968 5.8374 6.2214 6.2227 6.3374 6.3418 7.3238 7.3273 7.4056 7.4172 7.5140 7.5145 11.1194 11.2013 12.3293 12.3680 12.4654 12.4918 12.6906 13.1142 k = 0.2590 0.2593-0.0000 ( 2895 PWs) bands (ev): -9.2972 -9.2963 -9.2606 -9.2605 -8.6352 -8.6320 -8.1247 -8.1090 -8.0045 -7.9805 -6.6819 -6.6817 -6.6634 -6.6591 -6.6247 -6.6129 1.0480 1.0504 4.7968 4.8749 5.3341 5.3843 5.5381 5.5516 5.7559 5.7914 6.1632 6.1702 6.3037 6.3080 7.3438 7.3469 7.4090 7.4181 7.4983 7.4988 11.0850 11.1595 12.3698 12.4158 12.5237 12.5504 12.7103 13.0682 k = 0.2682 0.2685-0.0000 ( 2890 PWs) bands (ev): -9.2983 -9.2977 -9.2601 -9.2599 -8.6190 -8.6154 -8.1093 -8.0932 -7.9901 -7.9661 -6.6825 -6.6823 -6.6640 -6.6597 -6.6230 -6.6116 1.0197 1.0220 4.7663 4.8373 5.2827 5.3210 5.5413 5.5627 5.7215 5.7490 6.1086 6.1220 6.2708 6.2751 7.3570 7.3586 7.4169 7.4221 7.4830 7.4835 11.0557 11.1235 12.4065 12.4608 12.5817 12.6067 12.7288 13.0273 k = 0.2774 0.2778-0.0000 ( 2890 PWs) bands (ev): -9.2995 -9.2993 -9.2596 -9.2595 -8.6036 -8.5997 -8.0931 -8.0766 -7.9756 -7.9517 -6.6830 -6.6830 -6.6645 -6.6602 -6.6211 -6.6102 0.9923 0.9945 4.7337 4.7978 5.2244 5.2545 5.5459 5.5738 5.6938 5.7106 6.0575 6.0780 6.2388 6.2430 7.3570 7.3573 7.4338 7.4350 7.4681 7.4685 11.0318 11.0937 12.4385 12.5023 12.6393 12.6583 12.7507 12.9922 k = 0.2867 0.2870-0.0000 ( 2886 PWs) bands (ev): -9.3010 -9.3009 -9.2591 -9.2591 -8.5890 -8.5847 -8.0761 -8.0593 -7.9611 -7.9373 -6.6836 -6.6835 -6.6650 -6.6608 -6.6191 -6.6087 0.9658 0.9678 4.6993 4.7568 5.1620 5.1862 5.5492 5.5825 5.6732 5.6779 6.0100 6.0381 6.2077 6.2118 7.3440 7.3451 7.4525 7.4534 7.4564 7.4586 11.0134 11.0701 12.4647 12.5394 12.6961 12.7016 12.7818 12.9637 k = 0.2959 0.2963-0.0000 ( 2890 PWs) bands (ev): -9.3028 -9.3023 -9.2587 -9.2587 -8.5752 -8.5706 -8.0584 -8.0414 -7.9467 -7.9231 -6.6841 -6.6841 -6.6655 -6.6614 -6.6169 -6.6072 0.9402 0.9420 4.6633 4.7145 5.0972 5.1172 5.5491 5.5832 5.6561 5.6606 5.9663 6.0021 6.1775 6.1816 7.3220 7.3251 7.4395 7.4395 7.4815 7.4839 11.0003 11.0524 12.4849 12.5711 12.7355 12.7519 12.8242 12.9426 k = 0.3052 0.3056-0.0000 ( 2896 PWs) bands (ev): -9.3047 -9.3039 -9.2584 -9.2584 -8.5623 -8.5573 -8.0400 -8.0229 -7.9323 -7.9089 -6.6846 -6.6846 -6.6659 -6.6621 -6.6146 -6.6055 0.9155 0.9172 4.6258 4.6712 5.0314 5.0483 5.5444 5.5696 5.6517 5.6561 5.9261 5.9696 6.1484 6.1523 7.2931 7.2989 7.4258 7.4259 7.5087 7.5117 10.9923 11.0403 12.4997 12.5965 12.7644 12.8060 12.8736 12.9299 k = 0.3144 0.3148-0.0000 ( 2892 PWs) bands (ev): -9.3067 -9.3056 -9.2581 -9.2581 -8.5502 -8.5449 -8.0212 -8.0041 -7.9180 -7.8950 -6.6850 -6.6850 -6.6663 -6.6627 -6.6122 -6.6037 0.8918 0.8934 4.5873 4.6271 4.9657 4.9802 5.5361 5.5468 5.6581 5.6594 5.8896 5.9403 6.1203 6.1240 7.2585 7.2672 7.4126 7.4126 7.5369 7.5402 10.9889 11.0332 12.5105 12.6153 12.7919 12.8567 12.9254 12.9272 k = 0.3237 0.3241-0.0000 ( 2888 PWs) bands (ev): -9.3087 -9.3074 -9.2579 -9.2578 -8.5390 -8.5333 -8.0021 -7.9849 -7.9040 -7.8813 -6.6855 -6.6854 -6.6667 -6.6633 -6.6096 -6.6018 0.8692 0.8707 4.5479 4.5826 4.9006 4.9133 5.5224 5.5262 5.6640 5.6717 5.8568 5.9139 6.0933 6.0969 7.2187 7.2305 7.3997 7.3998 7.5655 7.5691 10.9895 11.0304 12.5188 12.6281 12.8186 12.8963 12.9412 12.9776 k = 0.3329 0.3333-0.0000 ( 2888 PWs) bands (ev): -9.3109 -9.3092 -9.2577 -9.2576 -8.5286 -8.5227 -7.9827 -7.9657 -7.8901 -7.8678 -6.6859 -6.6859 -6.6671 -6.6639 -6.6070 -6.5999 0.8475 0.8489 4.5080 4.5382 4.8369 4.8480 5.4992 5.5164 5.6710 5.6858 5.8283 5.8903 6.0674 6.0709 7.1745 7.1895 7.3873 7.3875 7.5943 7.5980 10.9935 11.0312 12.5263 12.6364 12.8442 12.9150 12.9795 13.0290 k = 0.3422 0.3426-0.0000 ( 2888 PWs) bands (ev): -9.3130 -9.3111 -9.2575 -9.2574 -8.5190 -8.5128 -7.9634 -7.9465 -7.8765 -7.8546 -6.6863 -6.6863 -6.6675 -6.6645 -6.6043 -6.5979 0.8270 0.8282 4.4680 4.4940 4.7749 4.7847 5.4782 5.5078 5.6770 5.7006 5.8049 5.8691 6.0428 6.0461 7.1266 7.1448 7.3754 7.3756 7.6230 7.6267 11.0001 11.0348 12.5341 12.6421 12.8676 12.9262 13.0264 13.0794 k = 0.3514 0.3519-0.0000 ( 2888 PWs) bands (ev): -9.3151 -9.3131 -9.2573 -9.2572 -8.5101 -8.5037 -7.9441 -7.9275 -7.8632 -7.8418 -6.6867 -6.6867 -6.6679 -6.6652 -6.6015 -6.5958 0.8074 0.8086 4.4282 4.4506 4.7150 4.7238 5.4598 5.5010 5.6791 5.7155 5.7884 5.8502 6.0194 6.0225 7.0755 7.0968 7.3640 7.3642 7.6514 7.6551 11.0085 11.0405 12.5432 12.6470 12.8882 12.9355 13.0739 13.1282 k = 0.3607 0.3611-0.0000 ( 2892 PWs) bands (ev): -9.3173 -9.3151 -9.2572 -9.2571 -8.5019 -8.4955 -7.9252 -7.9088 -7.8502 -7.8294 -6.6872 -6.6872 -6.6682 -6.6658 -6.5987 -6.5937 0.7890 0.7900 4.3890 4.4081 4.6576 4.6654 5.4441 5.4963 5.6751 5.7300 5.7805 5.8337 5.9973 6.0001 7.0220 7.0464 7.3530 7.3533 7.6793 7.6829 11.0182 11.0474 12.5541 12.6526 12.9055 12.9429 13.1204 13.1753 k = 0.3699 0.3704-0.0000 ( 2884 PWs) bands (ev): -9.3194 -9.3171 -9.2571 -9.2569 -8.4944 -8.4879 -7.9068 -7.8908 -7.8376 -7.8174 -6.6876 -6.6876 -6.6686 -6.6664 -6.5959 -6.5915 0.7717 0.7726 4.3508 4.3669 4.6029 4.6098 5.4312 5.4939 5.6649 5.7438 5.7808 5.8196 5.9765 5.9790 6.9668 6.9940 7.3427 7.3429 7.7064 7.7100 11.0283 11.0550 12.5672 12.6597 12.9190 12.9478 13.1653 13.2205 k = 0.3792 0.3796-0.0000 ( 2896 PWs) bands (ev): -9.3214 -9.3191 -9.2570 -9.2568 -8.4876 -8.4811 -7.8889 -7.8735 -7.8253 -7.8059 -6.6880 -6.6880 -6.6689 -6.6670 -6.5932 -6.5894 0.7554 0.7563 4.3137 4.3274 4.5511 4.5573 5.4210 5.4937 5.6509 5.7557 5.7866 5.8086 5.9571 5.9593 6.9106 6.9405 7.3329 7.3331 7.7326 7.7361 11.0384 11.0626 12.5825 12.6688 12.9286 12.9500 13.2084 13.2637 k = 0.3884 0.3889-0.0000 ( 2900 PWs) bands (ev): -9.3234 -9.3210 -9.2569 -9.2567 -8.4813 -8.4750 -7.8719 -7.8572 -7.8133 -7.7949 -6.6884 -6.6884 -6.6693 -6.6676 -6.5905 -6.5872 0.7403 0.7411 4.2782 4.2897 4.5025 4.5080 5.4133 5.4957 5.6353 5.7636 5.7954 5.8028 5.9391 5.9409 6.8541 6.8865 7.3237 7.3239 7.7578 7.7611 11.0481 11.0698 12.5999 12.6799 12.9347 12.9496 13.2495 13.3046 k = 0.3977 0.3981-0.0000 ( 2904 PWs) bands (ev): -9.3253 -9.3229 -9.2568 -9.2566 -8.4756 -8.4695 -7.8559 -7.8420 -7.8016 -7.7843 -6.6888 -6.6887 -6.6696 -6.6682 -6.5879 -6.5851 0.7264 0.7271 4.2446 4.2542 4.4571 4.4620 5.4081 5.4998 5.6198 5.7645 5.8047 5.8055 5.9226 5.9239 6.7981 6.8325 7.3151 7.3153 7.7817 7.7848 11.0570 11.0764 12.6191 12.6929 12.9376 12.9469 13.2885 13.3432 k = 0.4069 0.4074-0.0000 ( 2902 PWs) bands (ev): -9.3271 -9.3248 -9.2567 -9.2566 -8.4704 -8.4646 -7.8410 -7.8281 -7.7903 -7.7744 -6.6891 -6.6891 -6.6699 -6.6687 -6.5854 -6.5831 0.7136 0.7142 4.2130 4.2210 4.4153 4.4196 5.4051 5.5053 5.6054 5.7601 5.8123 5.8160 5.9076 5.9083 6.7433 6.7793 7.3071 7.3074 7.8042 7.8071 11.0649 11.0820 12.6397 12.7073 12.9379 12.9426 13.3251 13.3794 k = 0.4162 0.4167-0.0000 ( 2898 PWs) bands (ev): -9.3287 -9.3265 -9.2567 -9.2565 -8.4658 -8.4603 -7.8272 -7.8157 -7.7794 -7.7650 -6.6895 -6.6894 -6.6702 -6.6692 -6.5831 -6.5812 0.7019 0.7025 4.1838 4.1903 4.3770 4.3808 5.4041 5.5115 5.5931 5.7541 5.8215 5.8263 5.8942 5.8944 6.6905 6.7275 7.2998 7.3000 7.8251 7.8278 11.0717 11.0867 12.6610 12.7225 12.9364 12.9374 13.3594 13.4128 k = 0.4254 0.4259-0.0000 ( 2904 PWs) bands (ev): -9.3302 -9.3282 -9.2566 -9.2565 -8.4617 -8.4565 -7.8148 -7.8048 -7.7689 -7.7563 -6.6898 -6.6898 -6.6705 -6.6697 -6.5810 -6.5794 0.6915 0.6919 4.1571 4.1624 4.3424 4.3457 5.4050 5.5165 5.5848 5.7479 5.8303 5.8360 5.8816 5.8831 6.6405 6.6778 7.2932 7.2934 7.8443 7.8468 11.0773 11.0903 12.6824 12.7379 12.9318 12.9337 13.3912 13.4434 k = 0.4347 0.4352-0.0000 ( 2900 PWs) bands (ev): -9.3316 -9.3297 -9.2566 -9.2564 -8.4580 -8.4534 -7.8039 -7.7953 -7.7591 -7.7483 -6.6901 -6.6901 -6.6708 -6.6701 -6.5790 -6.5777 0.6822 0.6826 4.1331 4.1374 4.3117 4.3145 5.4075 5.5177 5.5828 5.7418 5.8374 5.8447 5.8708 5.8745 6.5940 6.6308 7.2873 7.2875 7.8617 7.8639 11.0819 11.0930 12.7032 12.7525 12.9266 12.9305 13.4203 13.4709 k = 0.4439 0.4444-0.0000 ( 2900 PWs) bands (ev): -9.3328 -9.3311 -9.2565 -9.2564 -8.4548 -8.4507 -7.7943 -7.7874 -7.7500 -7.7412 -6.6903 -6.6903 -6.6710 -6.6704 -6.5772 -6.5762 0.6741 0.6745 4.1119 4.1154 4.2849 4.2872 5.4115 5.5137 5.5884 5.7357 5.8410 5.8506 5.8633 5.8700 6.5519 6.5871 7.2821 7.2823 7.8770 7.8789 11.0856 11.0949 12.7226 12.7656 12.9224 12.9275 13.4468 13.4951 k = 0.4532 0.4537-0.0000 ( 2900 PWs) bands (ev): -9.3338 -9.3323 -9.2565 -9.2563 -8.4520 -8.4485 -7.7862 -7.7807 -7.7420 -7.7349 -6.6906 -6.6906 -6.6713 -6.6708 -6.5757 -6.5749 0.6673 0.6676 4.0938 4.0965 4.2620 4.2640 5.4167 5.5059 5.5996 5.7292 5.8402 5.8483 5.8644 5.8702 6.5150 6.5476 7.2777 7.2778 7.8903 7.8919 11.0885 11.0960 12.7400 12.7765 12.9195 12.9250 13.4705 13.5154 k = 0.4624 0.4630-0.0000 ( 2896 PWs) bands (ev): -9.3345 -9.3334 -9.2564 -9.2563 -8.4497 -8.4468 -7.7796 -7.7755 -7.7351 -7.7297 -6.6908 -6.6908 -6.6714 -6.6711 -6.5744 -6.5738 0.6617 0.6619 4.0789 4.0809 4.2433 4.2448 5.4229 5.4964 5.6140 5.7221 5.8370 5.8425 5.8694 5.8732 6.4843 6.5128 7.2740 7.2742 7.9013 7.9026 11.0907 11.0966 12.7550 12.7845 12.9182 12.9233 13.4914 13.5313 k = 0.4717 0.4722-0.0000 ( 2888 PWs) bands (ev): -9.3351 -9.3342 -9.2564 -9.2563 -8.4478 -8.4456 -7.7744 -7.7714 -7.7295 -7.7255 -6.6909 -6.6909 -6.6715 -6.6713 -6.5734 -6.5730 0.6573 0.6574 4.0671 4.0686 4.2286 4.2297 5.4301 5.4863 5.6299 5.7137 5.8336 5.8372 5.8741 5.8765 6.4604 6.4835 7.2711 7.2713 7.9100 7.9110 11.0924 11.0968 12.7673 12.7895 12.9183 12.9224 13.5093 13.5422 k = 0.4809 0.4815-0.0000 ( 2888 PWs) bands (ev): -9.3355 -9.3349 -9.2564 -9.2563 -8.4463 -8.4448 -7.7706 -7.7687 -7.7252 -7.7226 -6.6910 -6.6910 -6.6716 -6.6714 -6.5726 -6.5723 0.6541 0.6542 4.0586 4.0596 4.2180 4.2188 5.4380 5.4762 5.6463 5.7039 5.8309 5.8332 5.8777 5.8792 6.4440 6.4605 7.2691 7.2691 7.9164 7.9171 11.0937 11.0966 12.7768 12.7918 12.9191 12.9219 13.5241 13.5479 k = 0.4902 0.4907-0.0000 ( 2876 PWs) bands (ev): -9.3357 -9.3354 -9.2563 -9.2563 -8.4453 -8.4445 -7.7681 -7.7671 -7.7224 -7.7211 -6.6911 -6.6911 -6.6716 -6.6715 -6.5721 -6.5720 0.6522 0.6522 4.0536 4.0540 4.2117 4.2121 5.4465 5.4663 5.6622 5.6923 5.8294 5.8306 5.8801 5.8808 6.4356 6.4444 7.2678 7.2679 7.9204 7.9208 11.0947 11.0962 12.7839 12.7915 12.9202 12.9217 13.5358 13.5486 k = 0.4994 0.5000-0.0000 ( 2878 PWs) bands (ev): -9.3357 -9.3356 -9.2563 -9.2563 -8.4447 -8.4446 -7.7669 -7.7669 -7.7210 -7.7209 -6.6911 -6.6911 -6.6716 -6.6716 -6.5719 -6.5719 0.6515 0.6515 4.0519 4.0519 4.2095 4.2095 5.4555 5.4567 5.6772 5.6790 5.8292 5.8293 5.8812 5.8812 6.4353 6.4358 7.2674 7.2674 7.9220 7.9220 11.0955 11.0956 12.7887 12.7891 12.9211 12.9212 13.5440 13.5448 k = 0.4994 0.5000-0.0000 ( 2878 PWs) bands (ev): -9.3357 -9.3356 -9.2563 -9.2563 -8.4447 -8.4446 -7.7669 -7.7669 -7.7210 -7.7209 -6.6911 -6.6911 -6.6716 -6.6716 -6.5719 -6.5719 0.6515 0.6515 4.0519 4.0519 4.2095 4.2095 5.4555 5.4567 5.6772 5.6790 5.8292 5.8293 5.8812 5.8812 6.4353 6.4358 7.2674 7.2674 7.9220 7.9220 11.0955 11.0956 12.7887 12.7891 12.9211 12.9212 13.5440 13.5448 k = 0.4863 0.5000-0.0000 ( 2881 PWs) bands (ev): -9.3356 -9.3354 -9.2563 -9.2563 -8.4452 -8.4446 -7.7680 -7.7673 -7.7221 -7.7212 -6.6911 -6.6911 -6.6716 -6.6716 -6.5721 -6.5720 0.6522 0.6522 4.0536 4.0540 4.2117 4.2120 5.4489 5.4632 5.6667 5.6885 5.8289 5.8297 5.8809 5.8815 6.4366 6.4430 7.2678 7.2678 7.9205 7.9208 11.0949 11.0960 12.7849 12.7904 12.9206 12.9217 13.5377 13.5470 k = 0.4731 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.3354 -9.3350 -9.2563 -9.2563 -8.4461 -8.4450 -7.7706 -7.7692 -7.7246 -7.7227 -6.6910 -6.6910 -6.6716 -6.6715 -6.5726 -6.5724 0.6540 0.6541 4.0584 4.0592 4.2185 4.2192 5.4421 5.4691 5.6560 5.6970 5.8285 5.8301 5.8809 5.8819 6.4459 6.4578 7.2690 7.2690 7.9166 7.9171 11.0942 11.0962 12.7787 12.7892 12.9204 12.9223 13.5275 13.5445 k = 0.4600 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.3350 -9.3343 -9.2564 -9.2563 -8.4475 -8.4459 -7.7749 -7.7726 -7.7280 -7.7251 -6.6909 -6.6909 -6.6715 -6.6713 -6.5733 -6.5730 0.6571 0.6572 4.0654 4.0666 4.2309 4.2319 5.4349 5.4734 5.6468 5.7051 5.8275 5.8298 5.8817 5.8831 6.4628 6.4794 7.2710 7.2711 7.9102 7.9109 11.0931 11.0961 12.7699 12.7851 12.9209 12.9235 13.5124 13.5351 k = 0.4468 0.5000-0.0000 ( 2900 PWs) bands (ev): -9.3344 -9.3335 -9.2564 -9.2564 -8.4493 -8.4472 -7.7811 -7.7780 -7.7322 -7.7282 -6.6908 -6.6908 -6.6714 -6.6711 -6.5744 -6.5739 0.6613 0.6615 4.0730 4.0748 4.2500 4.2515 5.4271 5.4746 5.6412 5.7135 5.8254 5.8284 5.8839 5.8856 6.4867 6.5072 7.2738 7.2739 7.9014 7.9024 11.0917 11.0956 12.7581 12.7777 12.9227 12.9255 13.4913 13.5168 k = 0.4337 0.5000-0.0000 ( 2898 PWs) bands (ev): -9.3335 -9.3324 -9.2565 -9.2564 -8.4515 -8.4490 -7.7895 -7.7855 -7.7367 -7.7317 -6.6907 -6.6906 -6.6711 -6.6708 -6.5756 -6.5751 0.6667 0.6669 4.0802 4.0826 4.2770 4.2791 5.4183 5.4711 5.6415 5.7232 5.8218 5.8253 5.8881 5.8898 6.5168 6.5404 7.2774 7.2775 7.8902 7.8914 11.0898 11.0944 12.7434 12.7667 12.9262 12.9288 13.4637 13.4897 k = 0.4206 0.5000-0.0000 ( 2898 PWs) bands (ev): -9.3324 -9.3312 -9.2565 -9.2564 -8.4542 -8.4512 -7.8001 -7.7954 -7.7412 -7.7352 -6.6905 -6.6904 -6.6709 -6.6704 -6.5772 -6.5764 0.6733 0.6735 4.0859 4.0889 4.3126 4.3152 5.4084 5.4623 5.6489 5.7351 5.8165 5.8203 5.8946 5.8962 6.5523 6.5780 7.2818 7.2820 7.8767 7.8781 11.0870 11.0922 12.7257 12.7521 12.9316 12.9332 13.4294 13.4552 k = 0.4074 0.5000-0.0000 ( 2900 PWs) bands (ev): -9.3312 -9.3298 -9.2566 -9.2564 -8.4573 -8.4540 -7.8130 -7.8076 -7.7454 -7.7387 -6.6903 -6.6902 -6.6706 -6.6700 -6.5790 -6.5780 0.6809 0.6811 4.0900 4.0935 4.3567 4.3599 5.3973 5.4487 5.6634 5.7494 5.8101 5.8137 5.9033 5.9046 6.5923 6.6194 7.2872 7.2874 7.8608 7.8625 11.0830 11.0888 12.7056 12.7344 12.9387 12.9388 13.3888 13.4142 k = 0.3943 0.5000-0.0000 ( 2900 PWs) bands (ev): -9.3297 -9.3281 -9.2566 -9.2565 -8.4608 -8.4572 -7.8279 -7.8221 -7.7495 -7.7422 -6.6902 -6.6900 -6.6703 -6.6695 -6.5810 -6.5797 0.6895 0.6898 4.0926 4.0965 4.4090 4.4125 5.3853 5.4320 5.6835 5.7646 5.8049 5.8064 5.9141 5.9150 6.6360 6.6638 7.2934 7.2936 7.8427 7.8446 11.0777 11.0838 12.6834 12.7141 12.9448 12.9470 13.3425 13.3679 k = 0.3811 0.5000-0.0000 ( 2896 PWs) bands (ev): -9.3281 -9.3263 -9.2567 -9.2566 -8.4648 -8.4609 -7.8448 -7.8386 -7.7534 -7.7456 -6.6901 -6.6898 -6.6699 -6.6689 -6.5832 -6.5816 0.6991 0.6994 4.0940 4.0982 4.4686 4.4724 5.3725 5.4135 5.7069 5.7720 5.7999 5.8100 5.9266 5.9271 6.6826 6.7106 7.3005 7.3008 7.8225 7.8247 11.0705 11.0767 12.6599 12.6919 12.9506 12.9558 13.2914 13.3175 k = 0.3680 0.5000-0.0000 ( 2895 PWs) bands (ev): -9.3263 -9.3244 -9.2567 -9.2566 -8.4693 -8.4651 -7.8633 -7.8567 -7.7572 -7.7490 -6.6900 -6.6895 -6.6695 -6.6683 -6.5856 -6.5837 0.7097 0.7100 4.0944 4.0990 4.5349 4.5389 5.3595 5.3944 5.7282 5.7657 5.7992 5.8318 5.9406 5.9408 6.7314 6.7592 7.3087 7.3089 7.8002 7.8027 11.0610 11.0672 12.6356 12.6687 12.9547 12.9637 13.2370 13.2647 k = 0.3548 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.3243 -9.3223 -9.2568 -9.2567 -8.4743 -8.4699 -7.8831 -7.8762 -7.7610 -7.7525 -6.6899 -6.6893 -6.6691 -6.6676 -6.5881 -6.5858 0.7210 0.7214 4.0941 4.0990 4.6070 4.6111 5.3467 5.3754 5.7370 5.7539 5.8146 5.8625 5.9559 5.9561 6.7819 6.8091 7.3178 7.3181 7.7760 7.7788 11.0490 11.0548 12.6115 12.6450 12.9545 12.9684 13.1818 13.2123 k = 0.3417 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.3222 -9.3200 -9.2568 -9.2568 -8.4797 -8.4752 -7.9041 -7.8968 -7.7648 -7.7560 -6.6899 -6.6892 -6.6686 -6.6669 -6.5908 -6.5881 0.7332 0.7335 4.0933 4.0984 4.6842 4.6881 5.3346 5.3572 5.7319 5.7399 5.8473 5.8989 5.9722 5.9729 6.8334 6.8597 7.3279 7.3282 7.7502 7.7534 11.0339 11.0391 12.5880 12.6216 12.9453 12.9642 13.1316 13.1651 k = 0.3286 0.5000-0.0000 ( 2884 PWs) bands (ev): -9.3199 -9.3177 -9.2569 -9.2568 -8.4857 -8.4811 -7.9259 -7.9183 -7.7687 -7.7596 -6.6899 -6.6890 -6.6682 -6.6662 -6.5936 -6.5904 0.7460 0.7464 4.0921 4.0973 4.7655 4.7689 5.3237 5.3402 5.7205 5.7247 5.8898 5.9401 5.9897 5.9910 6.8853 6.9103 7.3391 7.3395 7.7230 7.7266 11.0154 11.0197 12.5658 12.5990 12.9205 12.9409 13.0971 13.1302 k = 0.3154 0.5000-0.0000 ( 2882 PWs) bands (ev): -9.3175 -9.3152 -9.2569 -9.2569 -8.4921 -8.4875 -7.9483 -7.9403 -7.7725 -7.7633 -6.6900 -6.6889 -6.6678 -6.6655 -6.5964 -6.5927 0.7594 0.7598 4.0906 4.0960 4.8502 4.8524 5.3146 5.3247 5.7065 5.7086 5.9382 5.9853 6.0091 6.0106 6.9368 6.9603 7.3515 7.3518 7.6948 7.6988 10.9932 10.9963 12.5453 12.5778 12.8765 12.8930 13.0840 13.1113 k = 0.3023 0.5000-0.0000 ( 2884 PWs) bands (ev): -9.3149 -9.3126 -9.2570 -9.2570 -8.4991 -8.4946 -7.9710 -7.9627 -7.7765 -7.7671 -6.6902 -6.6887 -6.6674 -6.6649 -6.5993 -6.5950 0.7734 0.7738 4.0890 4.0944 4.9368 4.9370 5.3083 5.3111 5.6911 5.6920 5.9896 6.0222 6.0335 6.0424 6.9874 7.0091 7.3649 7.3653 7.6660 7.6707 10.9670 10.9687 12.5267 12.5581 12.8172 12.8287 13.0846 13.1053 k = 0.2891 0.5000-0.0000 ( 2888 PWs) bands (ev): -9.3123 -9.3100 -9.2571 -9.2571 -8.5066 -8.5023 -7.9938 -7.9852 -7.7804 -7.7709 -6.6904 -6.6887 -6.6671 -6.6643 -6.6021 -6.5972 0.7877 0.7881 4.0871 4.0927 5.0198 5.0249 5.3000 5.3067 5.6749 5.6750 6.0330 6.0435 6.0702 6.0969 7.0359 7.0555 7.3795 7.3799 7.6375 7.6430 10.9366 10.9369 12.5100 12.5397 12.7488 12.7570 13.0910 13.1066 k = 0.2760 0.5000-0.0000 ( 2891 PWs) bands (ev): -9.3096 -9.3073 -9.2573 -9.2571 -8.5147 -8.5105 -8.0165 -8.0075 -7.7844 -7.7748 -6.6908 -6.6886 -6.6669 -6.6638 -6.6049 -6.5994 0.8024 0.8028 4.0853 4.0908 5.0966 5.1117 5.2923 5.3134 5.6576 5.6586 6.0598 6.0636 6.1291 6.1583 7.0812 7.0983 7.3952 7.3956 7.6103 7.6169 10.9007 10.9022 12.4941 12.5213 12.6766 12.6832 13.0995 13.1114 k = 0.2628 0.5000-0.0000 ( 2894 PWs) bands (ev): -9.3068 -9.3045 -9.2574 -9.2572 -8.5233 -8.5194 -8.0388 -8.0294 -7.7884 -7.7788 -6.6911 -6.6886 -6.6667 -6.6634 -6.6075 -6.6014 0.8173 0.8177 4.0833 4.0889 5.1583 5.1918 5.2927 5.3366 5.6402 5.6422 6.0818 6.0835 6.1984 6.2253 7.1215 7.1358 7.4120 7.4125 7.5861 7.5940 10.8604 10.8637 12.4755 12.4980 12.6066 12.6144 13.1086 13.1178 k = 0.2497 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.3039 -9.3017 -9.2575 -9.2572 -8.5325 -8.5289 -8.0604 -8.0508 -7.7924 -7.7828 -6.6916 -6.6887 -6.6666 -6.6632 -6.6099 -6.6033 0.8323 0.8327 4.0814 4.0869 5.1961 5.2412 5.3244 5.3842 5.6228 5.6261 6.1027 6.1035 6.2742 6.2978 7.1544 7.1655 7.4300 7.4305 7.5671 7.5767 10.8162 10.8213 12.4433 12.4569 12.5510 12.5647 13.1175 13.1246 k = 0.2366 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.3011 -9.2989 -9.2576 -9.2573 -8.5422 -8.5390 -8.0813 -8.0714 -7.7963 -7.7868 -6.6921 -6.6887 -6.6666 -6.6632 -6.6121 -6.6050 0.8473 0.8477 4.0795 4.0849 5.2145 5.2513 5.3945 5.4508 5.6057 5.6109 6.1231 6.1232 6.3556 6.3758 7.1771 7.1847 7.4490 7.4495 7.5563 7.5677 10.7685 10.7753 12.3855 12.3916 12.5227 12.5411 13.1258 13.1314 k = 0.2234 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.2981 -9.2961 -9.2577 -9.2573 -8.5524 -8.5495 -8.1012 -8.0911 -7.8001 -7.7907 -6.6927 -6.6889 -6.6668 -6.6634 -6.6141 -6.6066 0.8623 0.8627 4.0777 4.0829 5.2239 5.2525 5.4700 5.5250 5.5890 5.5987 6.1427 6.1431 6.4422 6.4592 7.1868 7.1913 7.4691 7.4696 7.5560 7.5690 10.7178 10.7262 12.3116 12.3146 12.5128 12.5316 13.1333 13.1376 k = 0.2103 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.2952 -9.2933 -9.2579 -9.2573 -8.5630 -8.5606 -8.1201 -8.1098 -7.8039 -7.7947 -6.6933 -6.6890 -6.6670 -6.6638 -6.6157 -6.6080 0.8770 0.8774 4.0759 4.0810 5.2302 5.2531 5.5309 5.5722 5.6007 5.6010 6.1617 6.1625 6.5335 6.5474 7.1830 7.1852 7.4902 7.4907 7.5670 7.5808 10.6645 10.6745 12.2323 12.2340 12.5107 12.5285 13.1397 13.1432 k = 0.1971 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.2923 -9.2905 -9.2580 -9.2574 -8.5740 -8.5719 -8.1377 -8.1273 -7.8075 -7.7986 -6.6940 -6.6893 -6.6673 -6.6645 -6.6170 -6.6092 0.8914 0.8918 4.0742 4.0791 5.2357 5.2545 5.5443 5.5568 5.6477 5.6744 6.1803 6.1814 6.6288 6.6400 7.1675 7.1681 7.5123 7.5127 7.5875 7.6012 10.6093 10.6206 12.1519 12.1528 12.5127 12.5289 13.1451 13.1480 k = 0.1840 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.2894 -9.2878 -9.2581 -9.2574 -8.5852 -8.5836 -8.1540 -8.1436 -7.8111 -7.8024 -6.6948 -6.6896 -6.6677 -6.6653 -6.6180 -6.6102 0.9055 0.9058 4.0726 4.0773 5.2414 5.2572 5.5357 5.5419 5.7139 5.7449 6.1981 6.1995 6.7272 6.7361 7.1431 7.1433 7.5351 7.5355 7.6146 7.6275 10.5528 10.5651 12.0721 12.0725 12.5172 12.5317 13.1494 13.1518 k = 0.1708 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.2866 -9.2852 -9.2582 -9.2574 -8.5966 -8.5953 -8.1690 -8.1587 -7.8144 -7.8061 -6.6955 -6.6900 -6.6682 -6.6663 -6.6186 -6.6110 0.9190 0.9194 4.0711 4.0756 5.2477 5.2610 5.5240 5.5279 5.7800 5.8115 6.2152 6.2169 6.8276 6.8345 7.1130 7.1135 7.5584 7.5587 7.6454 7.6572 10.4955 10.5087 11.9939 11.9940 12.5233 12.5361 13.1526 13.1548 k = 0.1577 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.2839 -9.2827 -9.2584 -9.2574 -8.6080 -8.6071 -8.1826 -8.1725 -7.8176 -7.8097 -6.6963 -6.6905 -6.6687 -6.6674 -6.6190 -6.6117 0.9320 0.9323 4.0697 4.0740 5.2546 5.2660 5.5122 5.5150 5.8428 5.8737 6.2314 6.2334 6.9283 6.9338 7.0804 7.0807 7.5819 7.5823 7.6777 7.6882 10.4383 10.4519 11.9180 11.9181 12.5304 12.5416 13.1548 13.1568 k = 0.1446 0.5000-0.0000 ( 2889 PWs) bands (ev): -9.2812 -9.2803 -9.2585 -9.2574 -8.6193 -8.6187 -8.1948 -8.1851 -7.8206 -7.8131 -6.6971 -6.6911 -6.6692 -6.6685 -6.6192 -6.6123 0.9442 0.9445 4.0685 4.0724 5.2620 5.2718 5.5012 5.5031 5.9016 5.9315 6.2467 6.2489 7.0183 7.0246 7.0546 7.0564 7.6055 7.6059 7.7102 7.7193 10.3816 10.3955 11.8452 11.8454 12.5382 12.5478 13.1561 13.1580 k = 0.1314 0.5000-0.0000 ( 2894 PWs) bands (ev): -9.2787 -9.2781 -9.2586 -9.2574 -8.6303 -8.6299 -8.2057 -8.1964 -7.8234 -7.8164 -6.6979 -6.6919 -6.6698 -6.6696 -6.6192 -6.6127 0.9557 0.9560 4.0673 4.0710 5.2698 5.2781 5.4912 5.4926 5.9561 5.9845 6.2611 6.2635 7.0046 7.0068 7.1340 7.1352 7.6289 7.6292 7.7417 7.7494 10.3263 10.3401 11.7762 11.7765 12.5461 12.5543 13.1566 13.1584 k = 0.1183 0.5000-0.0000 ( 2892 PWs) bands (ev): -9.2764 -9.2760 -9.2587 -9.2574 -8.6409 -8.6407 -8.2153 -8.2065 -7.8259 -7.8194 -6.6986 -6.6927 -6.6705 -6.6703 -6.6190 -6.6131 0.9664 0.9667 4.0663 4.0696 5.2777 5.2847 5.4826 5.4835 6.0061 6.0327 6.2745 6.2770 6.9709 6.9724 7.2291 7.2299 7.6518 7.6521 7.7715 7.7780 10.2729 10.2863 11.7116 11.7119 12.5540 12.5609 13.1564 13.1582 k = 0.1051 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.2742 -9.2741 -9.2588 -9.2573 -8.6508 -8.6508 -8.2236 -8.2155 -7.8281 -7.8223 -6.6993 -6.6936 -6.6714 -6.6709 -6.6187 -6.6134 0.9762 0.9764 4.0654 4.0684 5.2854 5.2913 5.4753 5.4759 6.0514 6.0760 6.2869 6.2895 6.9375 6.9388 7.3202 7.3206 7.6739 7.6742 7.7992 7.8045 10.2223 10.2351 11.6519 11.6523 12.5616 12.5672 13.1557 13.1575 k = 0.0920 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.2723 -9.2722 -9.2588 -9.2573 -8.6601 -8.6600 -8.2307 -8.2234 -7.8301 -7.8249 -6.6999 -6.6945 -6.6721 -6.6714 -6.6183 -6.6136 0.9849 0.9851 4.0647 4.0673 5.2925 5.2974 5.4696 5.4699 6.0919 6.1141 6.2983 6.3009 6.9060 6.9071 7.4052 7.4053 7.6950 7.6953 7.8243 7.8286 10.1751 10.1869 11.5977 11.5981 12.5686 12.5732 13.1547 13.1564 k = 0.0789 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.2708 -9.2704 -9.2588 -9.2573 -8.6684 -8.6683 -8.2366 -8.2302 -7.8318 -7.8273 -6.7004 -6.6955 -6.6727 -6.6718 -6.6179 -6.6139 0.9926 0.9928 4.0640 4.0663 5.2989 5.3029 5.4654 5.4655 6.1272 6.1469 6.3087 6.3112 6.8772 6.8780 7.4822 7.4823 7.7149 7.7152 7.8465 7.8500 10.1321 10.1428 11.5495 11.5499 12.5749 12.5785 13.1535 13.1551 k = 0.0657 0.5000-0.0000 ( 2890 PWs) bands (ev): -9.2695 -9.2690 -9.2588 -9.2573 -8.6757 -8.6755 -8.2415 -8.2359 -7.8332 -7.8293 -6.7007 -6.6965 -6.6732 -6.6723 -6.6175 -6.6141 0.9993 0.9994 4.0635 4.0654 5.3044 5.3075 5.4625 5.4626 6.1574 6.1742 6.3180 6.3204 6.8516 6.8523 7.5494 7.5496 7.7336 7.7338 7.8657 7.8684 10.0941 10.1033 11.5078 11.5082 12.5804 12.5832 13.1523 13.1537 k = 0.0526 0.5000-0.0000 ( 2889 PWs) bands (ev): -9.2684 -9.2678 -9.2587 -9.2573 -8.6818 -8.6816 -8.2452 -8.2407 -7.8343 -7.8312 -6.7010 -6.6975 -6.6735 -6.6727 -6.6171 -6.6143 1.0047 1.0049 4.0631 4.0647 5.3088 5.3111 5.4608 5.4610 6.1823 6.1960 6.3263 6.3282 6.8298 6.8303 7.6053 7.6055 7.7509 7.7511 7.8816 7.8837 10.0618 10.0695 11.4731 11.4733 12.5851 12.5871 13.1512 13.1524 k = 0.0394 0.5000-0.0000 ( 2884 PWs) bands (ev): -9.2675 -9.2669 -9.2585 -9.2573 -8.6867 -8.6865 -8.2480 -8.2445 -7.8350 -7.8327 -6.7010 -6.6984 -6.6737 -6.6730 -6.6166 -6.6146 1.0091 1.0092 4.0629 4.0641 5.3121 5.3137 5.4600 5.4602 6.2019 6.2123 6.3332 6.3347 6.8123 6.8127 7.6484 7.6485 7.7667 7.7669 7.8942 7.8958 10.0360 10.0419 11.4456 11.4458 12.5888 12.5902 13.1502 13.1512 k = 0.0263 0.5000-0.0000 ( 2883 PWs) bands (ev): -9.2668 -9.2663 -9.2583 -9.2574 -8.6902 -8.6901 -8.2497 -8.2474 -7.8355 -7.8339 -6.7010 -6.6992 -6.6738 -6.6733 -6.6162 -6.6148 1.0122 1.0122 4.0628 4.0635 5.3144 5.3154 5.4598 5.4600 6.2162 6.2232 6.3385 6.3395 6.7995 6.7997 7.6780 7.6781 7.7803 7.7804 7.9033 7.9044 10.0174 10.0214 11.4258 11.4259 12.5915 12.5924 13.1495 13.1502 k = 0.0131 0.5000-0.0000 ( 2884 PWs) bands (ev): -9.2663 -9.2660 -9.2581 -9.2576 -8.6923 -8.6922 -8.2506 -8.2494 -7.8356 -7.8348 -6.7008 -6.6998 -6.6738 -6.6735 -6.6158 -6.6151 1.0140 1.0141 4.0628 4.0632 5.3158 5.3163 5.4598 5.4599 6.2255 6.2290 6.3419 6.3424 6.7917 6.7918 7.6948 7.6948 7.7898 7.7899 7.9090 7.9095 10.0063 10.0084 11.4138 11.4139 12.5932 12.5936 13.1492 13.1495 k = 0.0000 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.2660 -9.2660 -9.2578 -9.2578 -8.6930 -8.6930 -8.2504 -8.2504 -7.8353 -7.8353 -6.7004 -6.7004 -6.6737 -6.6737 -6.6155 -6.6155 1.0147 1.0147 4.0629 4.0629 5.3164 5.3164 5.4599 5.4599 6.2297 6.2297 6.3432 6.3432 6.7891 6.7891 7.7002 7.7002 7.7933 7.7933 7.9110 7.9110 10.0033 10.0033 11.4098 11.4098 12.5939 12.5939 13.1492 13.1492 k = 0.0000 0.5000-0.0000 ( 2886 PWs) bands (ev): -9.2660 -9.2660 -9.2578 -9.2578 -8.6930 -8.6930 -8.2504 -8.2504 -7.8353 -7.8353 -6.7004 -6.7004 -6.6737 -6.6737 -6.6155 -6.6155 1.0147 1.0147 4.0629 4.0629 5.3164 5.3164 5.4599 5.4599 6.2297 6.2297 6.3432 6.3432 6.7891 6.7891 7.7002 7.7002 7.7933 7.7933 7.9110 7.9110 10.0033 10.0033 11.4098 11.4098 12.5939 12.5939 13.1492 13.1492 k = 0.0000 0.5000 0.0133 ( 2884 PWs) bands (ev): -9.2663 -9.2659 -9.2582 -9.2575 -8.6925 -8.6917 -8.2509 -8.2493 -7.8355 -7.8348 -6.7008 -6.6998 -6.6740 -6.6732 -6.6159 -6.6151 1.0141 1.0141 4.0628 4.0632 5.3133 5.3195 5.4571 5.4613 6.2260 6.2311 6.3379 6.3431 6.7918 6.7924 7.6957 7.6977 7.7868 7.7888 7.9081 7.9100 10.0068 10.0081 11.4135 11.4145 12.5888 12.5979 13.1452 13.1535 k = 0.0000 0.5000 0.0265 ( 2884 PWs) bands (ev): -9.2668 -9.2659 -9.2588 -9.2573 -8.6902 -8.6886 -8.2506 -8.2476 -7.8353 -7.8340 -6.7010 -6.6990 -6.6743 -6.6727 -6.6164 -6.6147 1.0123 1.0124 4.0628 4.0635 5.3102 5.3226 5.4528 5.4615 6.2197 6.2304 6.3272 6.3379 6.8004 6.8016 7.6831 7.6873 7.7703 7.7745 7.9013 7.9050 10.0183 10.0209 11.4255 11.4275 12.5827 12.6009 13.1414 13.1583 k = 0.0000 0.5000 0.0398 ( 2884 PWs) bands (ev): -9.2673 -9.2661 -9.2593 -9.2572 -8.6862 -8.6838 -8.2496 -8.2452 -7.8348 -7.8328 -6.7011 -6.6981 -6.6744 -6.6722 -6.6168 -6.6144 1.0094 1.0095 4.0629 4.0641 5.3067 5.3257 5.4475 5.4608 6.2103 6.2274 6.3112 6.3281 6.8147 6.8164 7.6597 7.6662 7.7473 7.7537 7.8906 7.8960 10.0376 10.0413 11.4457 11.4487 12.5757 12.6028 13.1377 13.1635 k = 0.0000 0.5000 0.0531 ( 2884 PWs) bands (ev): -9.2681 -9.2665 -9.2598 -9.2572 -8.6804 -8.6773 -8.2480 -8.2420 -7.8339 -7.8313 -6.7010 -6.6971 -6.6744 -6.6715 -6.6173 -6.6141 1.0054 1.0055 4.0632 4.0647 5.3026 5.3283 5.4417 5.4599 6.1973 6.2218 6.2905 6.3144 6.8344 6.8364 7.6224 7.6301 7.7233 7.7309 7.8760 7.8833 10.0642 10.0689 11.4738 11.4778 12.5678 12.6037 13.1340 13.1691 k = 0.0000 0.5000 0.0663 ( 2884 PWs) bands (ev): -9.2690 -9.2673 -9.2603 -9.2572 -8.6731 -8.6693 -8.2455 -8.2382 -7.8327 -7.8295 -6.7007 -6.6960 -6.6743 -6.6707 -6.6179 -6.6138 1.0003 1.0004 4.0636 4.0655 5.2977 5.3301 5.4362 5.4594 6.1795 6.2125 6.2663 6.2980 6.8588 6.8612 7.5699 7.5775 7.7012 7.7086 7.8577 7.8667 10.0973 10.1029 11.5096 11.5145 12.5590 12.6034 13.1300 13.1753 k = 0.0000 0.5000 0.0796 ( 2882 PWs) bands (ev): -9.2700 -9.2684 -9.2606 -9.2573 -8.6641 -8.6597 -8.2422 -8.2336 -7.8312 -7.8274 -6.7003 -6.6948 -6.6741 -6.6699 -6.6184 -6.6136 0.9941 0.9943 4.0641 4.0663 5.2919 5.3302 5.4322 5.4598 6.1560 6.1963 6.2421 6.2800 6.8876 6.8903 7.5040 7.5110 7.6799 7.6867 7.8357 7.8465 10.1362 10.1425 11.5526 11.5584 12.5496 12.6022 13.1256 13.1819 k = 0.0000 0.5000 0.0928 ( 2882 PWs) bands (ev): -9.2713 -9.2699 -9.2608 -9.2574 -8.6538 -8.6488 -8.2381 -8.2282 -7.8293 -7.8250 -6.6997 -6.6936 -6.6737 -6.6690 -6.6188 -6.6133 0.9868 0.9871 4.0648 4.0674 5.2850 5.3282 5.4308 5.4617 6.1259 6.1686 6.2226 6.2616 6.9202 6.9229 7.4272 7.4336 7.6585 7.6646 7.8103 7.8229 10.1802 10.1869 11.6024 11.6091 12.5396 12.6000 13.1207 13.1888 k = 0.0000 0.5000 0.1061 ( 2882 PWs) bands (ev): -9.2728 -9.2716 -9.2608 -9.2575 -8.6422 -8.6367 -8.2330 -8.2220 -7.8272 -7.8224 -6.6991 -6.6925 -6.6732 -6.6680 -6.6192 -6.6130 0.9786 0.9789 4.0655 4.0685 5.2771 5.3236 5.4325 5.4653 6.0888 6.1299 6.2076 6.2434 6.9557 6.9585 7.3418 7.3477 7.6362 7.6418 7.7815 7.7960 10.2285 10.2354 11.6585 11.6662 12.5293 12.5969 13.1151 13.1959 k = 0.0000 0.5000 0.1194 ( 2888 PWs) bands (ev): -9.2744 -9.2735 -9.2609 -9.2576 -8.6294 -8.6236 -8.2269 -8.2148 -7.8247 -7.8195 -6.6983 -6.6914 -6.6725 -6.6670 -6.6195 -6.6127 0.9695 0.9698 4.0664 4.0697 5.2685 5.3168 5.4374 5.4708 6.0447 6.0834 6.1938 6.2255 6.9936 6.9962 7.2499 7.2556 7.6131 7.6182 7.7496 7.7660 10.2802 10.2871 11.7202 11.7289 12.5188 12.5930 13.1086 13.2031 k = 0.0000 0.5000 0.1326 ( 2886 PWs) bands (ev): -9.2763 -9.2757 -9.2608 -9.2576 -8.6157 -8.6096 -8.2197 -8.2067 -7.8220 -7.8164 -6.6975 -6.6904 -6.6717 -6.6659 -6.6197 -6.6124 0.9594 0.9598 4.0675 4.0711 5.2596 5.3086 5.4453 5.4781 5.9942 6.0308 6.1798 6.2076 7.0326 7.0350 7.1537 7.1594 7.5893 7.5940 7.7150 7.7333 10.3347 10.3413 11.7869 11.7969 12.5086 12.5887 13.1013 13.2101 k = 0.0000 0.5000 0.1459 ( 2882 PWs) bands (ev): -9.2783 -9.2779 -9.2608 -9.2576 -8.6013 -8.5950 -8.2112 -8.1975 -7.8191 -7.8131 -6.6966 -6.6895 -6.6707 -6.6649 -6.6197 -6.6119 0.9486 0.9490 4.0686 4.0725 5.2507 5.2997 5.4554 5.4872 5.9377 5.9728 6.1649 6.1896 7.0455 7.0509 7.0821 7.0833 7.5651 7.5693 7.6780 7.6982 10.3912 10.3972 11.8580 11.8693 12.4989 12.5841 13.0930 13.2167 k = 0.0000 0.5000 0.1592 ( 2884 PWs) bands (ev): -9.2805 -9.2803 -9.2607 -9.2576 -8.5863 -8.5800 -8.2015 -8.1871 -7.8159 -7.8096 -6.6958 -6.6887 -6.6697 -6.6638 -6.6195 -6.6114 0.9370 0.9374 4.0698 4.0740 5.2422 5.2910 5.4674 5.4978 5.8756 5.9096 6.1491 6.1711 6.9485 6.9560 7.1169 7.1185 7.5406 7.5445 7.6393 7.6615 10.4489 10.4543 11.9325 11.9456 12.4903 12.5796 13.0837 13.2228 k = 0.0000 0.5000 0.1724 ( 2890 PWs) bands (ev): -9.2829 -9.2827 -9.2606 -9.2576 -8.5710 -8.5648 -8.1903 -8.1755 -7.8126 -7.8060 -6.6950 -6.6880 -6.6687 -6.6629 -6.6190 -6.6107 0.9247 0.9252 4.0712 4.0757 5.2343 5.2828 5.4807 5.5098 5.8084 5.8414 6.1323 6.1521 6.8467 6.8558 7.1559 7.1572 7.5162 7.5197 7.5998 7.6239 10.5072 10.5118 12.0095 12.0249 12.4834 12.5759 13.0736 13.2280 k = 0.0000 0.5000 0.1857 ( 2896 PWs) bands (ev): -9.2855 -9.2851 -9.2605 -9.2575 -8.5557 -8.5497 -8.1777 -8.1626 -7.8090 -7.8022 -6.6943 -6.6873 -6.6677 -6.6621 -6.6183 -6.6098 0.9119 0.9124 4.0726 4.0773 5.2274 5.2756 5.4950 5.5229 5.7365 5.7685 6.1145 6.1326 6.7457 6.7569 7.1924 7.1932 7.4921 7.4953 7.5613 7.5871 10.5652 10.5692 12.0878 12.1063 12.4793 12.5736 13.0626 13.2320 k = 0.0000 0.5000 0.1990 ( 2890 PWs) bands (ev): -9.2882 -9.2875 -9.2604 -9.2574 -8.5404 -8.5348 -8.1635 -8.1484 -7.8053 -7.7984 -6.6936 -6.6867 -6.6667 -6.6614 -6.6171 -6.6088 0.8986 0.8991 4.0742 4.0791 5.2215 5.2697 5.5095 5.5365 5.6612 5.6913 6.0958 6.1125 6.6470 6.6608 7.2230 7.2233 7.4685 7.4714 7.5268 7.5535 10.6221 10.6260 12.1655 12.1885 12.4795 12.5739 13.0510 13.2347 k = 0.0000 0.5000 0.2122 ( 2892 PWs) bands (ev): -9.2909 -9.2901 -9.2603 -9.2573 -8.5255 -8.5203 -8.1478 -8.1328 -7.8015 -7.7944 -6.6930 -6.6861 -6.6659 -6.6610 -6.6156 -6.6075 0.8848 0.8854 4.0758 4.0809 5.2166 5.2650 5.5194 5.5481 5.5890 5.6112 6.0762 6.0918 6.5516 6.5684 7.2412 7.2438 7.4456 7.4483 7.5015 7.5276 10.6772 10.6817 12.2394 12.2694 12.4869 12.5788 13.0388 13.2357 k = 0.0000 0.5000 0.2255 ( 2894 PWs) bands (ev): -9.2936 -9.2927 -9.2602 -9.2572 -8.5111 -8.5065 -8.1305 -8.1158 -7.7975 -7.7904 -6.6924 -6.6855 -6.6652 -6.6607 -6.6138 -6.6061 0.8708 0.8714 4.0775 4.0827 5.2119 5.2611 5.4790 5.5245 5.5531 5.5760 6.0560 6.0706 6.4605 6.4805 7.2406 7.2481 7.4237 7.4265 7.4922 7.5151 10.7298 10.7357 12.3041 12.3450 12.5072 12.5917 13.0263 13.2349 k = 0.0000 0.5000 0.2388 ( 2894 PWs) bands (ev): -9.2963 -9.2953 -9.2601 -9.2572 -8.4974 -8.4935 -8.1118 -8.0976 -7.7935 -7.7864 -6.6920 -6.6850 -6.6647 -6.6606 -6.6117 -6.6043 0.8565 0.8572 4.0792 4.0846 5.2058 5.2564 5.3983 5.4424 5.5675 5.5896 6.0351 6.0492 6.3743 6.3977 7.2191 7.2330 7.4029 7.4058 7.5012 7.5194 10.7796 10.7871 12.3529 12.4084 12.5478 12.6181 13.0135 13.2321 k = 0.0000 0.5000 0.2520 ( 2888 PWs) bands (ev): -9.2990 -9.2979 -9.2599 -9.2571 -8.4844 -8.4812 -8.0917 -8.0781 -7.7895 -7.7823 -6.6916 -6.6845 -6.6645 -6.6607 -6.6093 -6.6023 0.8422 0.8429 4.0809 4.0864 5.1926 5.2420 5.3204 5.3680 5.5846 5.6060 6.0138 6.0274 6.2933 6.3203 7.1815 7.2012 7.3833 7.3860 7.5237 7.5376 10.8260 10.8354 12.3848 12.4536 12.6099 12.6632 13.0010 13.2272 k = 0.0000 0.5000 0.2653 ( 2886 PWs) bands (ev): -9.3017 -9.3005 -9.2598 -9.2570 -8.4723 -8.4698 -8.0704 -8.0575 -7.7854 -7.7783 -6.6913 -6.6840 -6.6644 -6.6608 -6.6068 -6.6002 0.8278 0.8285 4.0826 4.0881 5.1568 5.1861 5.2794 5.3202 5.6025 5.6232 5.9919 6.0056 6.2178 6.2484 7.1342 7.1585 7.3648 7.3673 7.5534 7.5642 10.8687 10.8800 12.4067 12.4832 12.6845 12.7252 12.9890 13.2204 k = 0.0000 0.5000 0.2785 ( 2888 PWs) bands (ev): -9.3043 -9.3031 -9.2597 -9.2569 -8.4611 -8.4593 -8.0481 -8.0360 -7.7813 -7.7743 -6.6911 -6.6836 -6.6646 -6.6610 -6.6040 -6.5978 0.8135 0.8142 4.0842 4.0898 5.0892 5.0992 5.2688 5.3069 5.6205 5.6408 5.9697 5.9838 6.1480 6.1819 7.0813 7.1092 7.3474 7.3497 7.5863 7.5948 10.9075 10.9206 12.4251 12.5044 12.7633 12.7964 12.9790 13.2123 k = 0.0000 0.5000 0.2918 ( 2890 PWs) bands (ev): -9.3069 -9.3056 -9.2595 -9.2568 -8.4509 -8.4496 -8.0251 -8.0139 -7.7772 -7.7703 -6.6909 -6.6833 -6.6650 -6.6612 -6.6012 -6.5953 0.7994 0.8002 4.0857 4.0913 5.0042 5.0066 5.2696 5.3096 5.6384 5.6584 5.9469 5.9622 6.0841 6.1207 7.0251 7.0558 7.3313 7.3334 7.6201 7.6270 10.9420 10.9568 12.4433 12.5225 12.8399 12.8680 12.9754 13.2038 k = 0.0000 0.5000 0.3051 ( 2890 PWs) bands (ev): -9.3094 -9.3081 -9.2594 -9.2568 -8.4418 -8.4406 -8.0017 -7.9913 -7.7732 -7.7664 -6.6907 -6.6830 -6.6656 -6.6615 -6.5983 -6.5926 0.7856 0.7863 4.0870 4.0925 4.9124 4.9151 5.2764 5.3185 5.6560 5.6758 5.9232 5.9408 6.0265 6.0647 6.9669 7.0000 7.3163 7.3183 7.6537 7.6594 10.9723 10.9885 12.4628 12.5403 12.8992 12.9275 12.9982 13.1975 k = 0.0000 0.5000 0.3183 ( 2888 PWs) bands (ev): -9.3118 -9.3105 -9.2592 -9.2567 -8.4336 -8.4323 -7.9781 -7.9686 -7.7692 -7.7626 -6.6905 -6.6828 -6.6662 -6.6618 -6.5953 -6.5899 0.7722 0.7729 4.0881 4.0935 4.8207 4.8245 5.2866 5.3312 5.6730 5.6930 5.8976 5.9198 5.9763 6.0139 6.9076 6.9427 7.3026 7.3043 7.6862 7.6910 10.9984 11.0156 12.4842 12.5588 12.9114 12.9836 13.0603 13.1991 k = 0.0000 0.5000 0.3316 ( 2890 PWs) bands (ev): -9.3141 -9.3129 -9.2591 -9.2567 -8.4263 -8.4247 -7.9545 -7.9459 -7.7653 -7.7589 -6.6904 -6.6827 -6.6668 -6.6622 -6.5924 -6.5872 0.7592 0.7600 4.0887 4.0940 4.7318 4.7360 5.2994 5.3466 5.6889 5.7097 5.8689 5.8992 5.9350 5.9682 6.8479 6.8847 7.2900 7.2916 7.7174 7.7214 11.0204 11.0384 12.5073 12.5784 12.9062 13.0231 13.1340 13.2182 k = 0.0000 0.5000 0.3449 ( 2892 PWs) bands (ev): -9.3163 -9.3151 -9.2590 -9.2566 -8.4197 -8.4178 -7.9315 -7.9237 -7.7614 -7.7553 -6.6903 -6.6827 -6.6674 -6.6626 -6.5895 -6.5846 0.7468 0.7476 4.0888 4.0939 4.6467 4.6511 5.3139 5.3643 5.7029 5.7257 5.8374 5.8789 5.9031 5.9279 6.7882 6.8265 7.2786 7.2801 7.7468 7.7502 11.0387 11.0570 12.5321 12.5988 12.8981 13.0368 13.2081 13.2597 k = 0.0000 0.5000 0.3581 ( 2890 PWs) bands (ev): -9.3183 -9.3172 -9.2588 -9.2566 -8.4138 -8.4116 -7.9091 -7.9022 -7.7577 -7.7518 -6.6902 -6.6829 -6.6679 -6.6631 -6.5867 -6.5820 0.7351 0.7358 4.0881 4.0929 4.5666 4.5709 5.3297 5.3840 5.7131 5.7408 5.8071 5.8585 5.8784 5.8934 6.7292 6.7686 7.2683 7.2696 7.7742 7.7771 11.0535 11.0717 12.5578 12.6197 12.8900 13.0325 13.2797 13.3154 k = 0.0000 0.5000 0.3714 ( 2898 PWs) bands (ev): -9.3202 -9.3191 -9.2587 -9.2566 -8.4085 -8.4062 -7.8878 -7.8817 -7.7540 -7.7484 -6.6901 -6.6831 -6.6684 -6.6636 -6.5840 -6.5796 0.7241 0.7248 4.0863 4.0908 4.4925 4.4965 5.3464 5.4052 5.7144 5.7545 5.7859 5.8375 5.8583 5.8655 6.6713 6.7115 7.2590 7.2602 7.7996 7.8020 11.0653 11.0830 12.5839 12.6403 12.8830 13.0197 13.3474 13.3754 k = 0.0000 0.5000 0.3847 ( 2890 PWs) bands (ev): -9.3220 -9.3209 -9.2585 -9.2566 -8.4038 -8.4014 -7.8678 -7.8624 -7.7504 -7.7451 -6.6900 -6.6834 -6.6687 -6.6641 -6.5814 -6.5773 0.7139 0.7146 4.0830 4.0872 4.4255 4.4291 5.3635 5.4274 5.7017 5.7657 5.7809 5.8170 5.8415 5.8437 6.6152 6.6558 7.2508 7.2519 7.8227 7.8248 11.0745 11.0914 12.6096 12.6600 12.8778 13.0036 13.4103 13.4348 k = 0.0000 0.5000 0.3979 ( 2896 PWs) bands (ev): -9.3235 -9.3226 -9.2584 -9.2567 -8.3997 -8.3973 -7.8494 -7.8447 -7.7469 -7.7419 -6.6899 -6.6838 -6.6690 -6.6646 -6.5790 -6.5753 0.7046 0.7052 4.0777 4.0813 4.3666 4.3698 5.3803 5.4498 5.6813 5.7722 5.7862 5.8010 5.8264 5.8276 6.5613 6.6018 7.2436 7.2446 7.8436 7.8454 11.0815 11.0973 12.6342 12.6779 12.8747 12.9867 13.4676 13.4908 k = 0.0000 0.5000 0.4112 ( 2900 PWs) bands (ev): -9.3250 -9.3241 -9.2582 -9.2567 -8.3960 -8.3937 -7.8329 -7.8288 -7.7434 -7.7387 -6.6897 -6.6843 -6.6691 -6.6651 -6.5768 -6.5734 0.6963 0.6968 4.0697 4.0728 4.3171 4.3197 5.3966 5.4711 5.6616 5.7684 5.7900 5.7993 5.8127 5.8176 6.5105 6.5503 7.2374 7.2382 7.8621 7.8636 11.0868 11.1012 12.6570 12.6934 12.8742 12.9705 13.5182 13.5418 k = 0.0000 0.5000 0.4244 ( 2902 PWs) bands (ev): -9.3262 -9.3255 -9.2581 -9.2568 -8.3928 -8.3907 -7.8184 -7.8150 -7.7399 -7.7357 -6.6896 -6.6848 -6.6691 -6.6656 -6.5748 -6.5718 0.6889 0.6894 4.0586 4.0610 4.2776 4.2796 5.4118 5.4892 5.6470 5.7578 5.7889 5.7977 5.8097 5.8149 6.4636 6.5018 7.2320 7.2327 7.8782 7.8795 11.0907 11.1034 12.6771 12.7061 12.8760 12.9558 13.5608 13.5852 k = 0.0000 0.5000 0.4377 ( 2906 PWs) bands (ev): -9.3272 -9.3266 -9.2579 -9.2568 -8.3901 -8.3883 -7.8062 -7.8033 -7.7366 -7.7327 -6.6894 -6.6854 -6.6691 -6.6661 -6.5730 -6.5705 0.6826 0.6831 4.0448 4.0466 4.2481 4.2494 5.4257 5.5014 5.6406 5.7479 5.7835 5.7884 5.8160 5.8191 6.4217 6.4571 7.2276 7.2282 7.8919 7.8929 11.0935 11.1044 12.6940 12.7159 12.8800 12.9431 13.5937 13.6105 k = 0.0000 0.5000 0.4510 ( 2894 PWs) bands (ev): -9.3281 -9.3276 -9.2578 -9.2569 -8.3879 -8.3863 -7.7964 -7.7940 -7.7333 -7.7300 -6.6892 -6.6859 -6.6690 -6.6666 -6.5714 -6.5694 0.6774 0.6778 4.0297 4.0308 4.2276 4.2283 5.4381 5.5056 5.6440 5.7395 5.7772 5.7804 5.8221 5.8250 6.3858 6.4172 7.2240 7.2244 7.9032 7.9040 11.0957 11.1046 12.7073 12.7232 12.8853 12.9328 13.6129 13.6174 k = 0.0000 0.5000 0.4642 ( 2888 PWs) bands (ev): -9.3287 -9.3283 -9.2576 -9.2569 -8.3861 -8.3849 -7.7888 -7.7870 -7.7303 -7.7277 -6.6889 -6.6865 -6.6688 -6.6670 -6.5701 -6.5686 0.6734 0.6736 4.0151 4.0157 4.2141 4.2145 5.4493 5.5028 5.6554 5.7319 5.7718 5.7740 5.8274 5.8300 6.3572 6.3830 7.2212 7.2216 7.9119 7.9125 11.0974 11.1041 12.7173 12.7282 12.8914 12.9246 13.6162 13.6252 k = 0.0000 0.5000 0.4775 ( 2882 PWs) bands (ev): -9.3291 -9.3289 -9.2575 -9.2570 -8.3847 -8.3839 -7.7835 -7.7822 -7.7277 -7.7259 -6.6886 -6.6870 -6.6686 -6.6674 -6.5691 -6.5681 0.6705 0.6706 4.0032 4.0035 4.2058 4.2059 5.4595 5.4960 5.6710 5.7238 5.7679 5.7694 5.8316 5.8336 6.3373 6.3557 7.2193 7.2195 7.9182 7.9186 11.0988 11.1033 12.7241 12.7311 12.8974 12.9183 13.6180 13.6270 k = 0.0000 0.5000 0.4908 ( 2876 PWs) bands (ev): -9.3294 -9.3292 -9.2573 -9.2571 -8.3839 -8.3834 -7.7802 -7.7796 -7.7259 -7.7250 -6.6883 -6.6874 -6.6683 -6.6677 -6.5684 -6.5679 0.6687 0.6688 3.9954 3.9956 4.2013 4.2014 5.4691 5.4875 5.6871 5.7141 5.7657 5.7665 5.8344 5.8355 6.3270 6.3367 7.2182 7.2183 7.9221 7.9223 11.1000 11.1023 12.7287 12.7321 12.9029 12.9130 13.6202 13.6255 k = 0.0000 0.5000 0.5040 ( 2880 PWs) bands (ev): -9.3294 -9.3294 -9.2572 -9.2572 -8.3834 -8.3834 -7.7789 -7.7789 -7.7249 -7.7249 -6.6879 -6.6879 -6.6680 -6.6680 -6.5680 -6.5680 0.6682 0.6682 3.9928 3.9928 4.1999 4.1999 5.4784 5.4784 5.7018 5.7018 5.7652 5.7652 5.8357 5.8357 6.3269 6.3269 7.2178 7.2178 7.9234 7.9234 11.1012 11.1012 12.7313 12.7313 12.9081 12.9081 13.6228 13.6228 k = 0.0000 0.5000 0.5040 ( 2880 PWs) bands (ev): -9.3294 -9.3294 -9.2572 -9.2572 -8.3834 -8.3834 -7.7789 -7.7789 -7.7249 -7.7249 -6.6879 -6.6879 -6.6680 -6.6680 -6.5680 -6.5680 0.6682 0.6682 3.9928 3.9928 4.1999 4.1999 5.4784 5.4784 5.7018 5.7018 5.7652 5.7652 5.8357 5.8357 6.3269 6.3269 7.2178 7.2178 7.9234 7.9234 11.1012 11.1012 12.7313 12.7313 12.9081 12.9081 13.6228 13.6228 k = 0.0131 0.5000 0.5040 ( 2884 PWs) bands (ev): -9.3295 -9.3292 -9.2576 -9.2571 -8.3826 -8.3825 -7.7795 -7.7787 -7.7256 -7.7242 -6.6882 -6.6871 -6.6682 -6.6673 -6.5680 -6.5679 0.6694 0.6695 3.9928 3.9928 4.1999 4.2000 5.4358 5.4597 5.6414 5.6446 5.7994 5.8165 5.8817 5.8829 6.3198 6.3259 7.2111 7.2114 7.9234 7.9234 11.0987 11.1066 12.7298 12.7324 12.8999 12.9197 13.6252 13.6258 k = 0.0263 0.5000 0.5040 ( 2886 PWs) bands (ev): -9.3294 -9.3288 -9.2581 -9.2570 -8.3800 -8.3798 -7.7802 -7.7786 -7.7261 -7.7233 -6.6881 -6.6858 -6.6677 -6.6659 -6.5678 -6.5677 0.6731 0.6733 3.9929 3.9929 4.1999 4.2000 5.3591 5.3946 5.5505 5.5545 5.8708 5.8939 5.9673 5.9688 6.3050 6.3177 7.1914 7.1918 7.9232 7.9233 11.0993 11.1150 12.7283 12.7332 12.8954 12.9347 13.6327 13.6341 k = 0.0394 0.5000 0.5040 ( 2888 PWs) bands (ev): -9.3291 -9.3282 -9.2588 -9.2572 -8.3757 -8.3754 -7.7812 -7.7788 -7.7265 -7.7223 -6.6875 -6.6840 -6.6666 -6.6639 -6.5674 -6.5674 0.6794 0.6797 3.9930 3.9930 4.1999 4.2001 5.2698 5.3108 5.4557 5.4600 5.9578 5.9783 6.0596 6.0598 6.2840 6.3042 7.1590 7.1596 7.9231 7.9231 11.1027 11.1262 12.7269 12.7338 12.8948 12.9527 13.6453 13.6475 k = 0.0526 0.5000 0.5040 ( 2892 PWs) bands (ev): -9.3287 -9.3275 -9.2597 -9.2575 -8.3697 -8.3693 -7.7824 -7.7791 -7.7268 -7.7212 -6.6864 -6.6818 -6.6649 -6.6613 -6.5670 -6.5669 0.6882 0.6887 3.9932 3.9932 4.1999 4.2001 5.1759 5.2202 5.3601 5.3647 6.0488 6.0585 6.1436 6.1516 6.2649 6.2926 7.1143 7.1151 7.9228 7.9229 11.1089 11.1401 12.7260 12.7345 12.8982 12.9738 13.6626 13.6657 k = 0.0657 0.5000 0.5040 ( 2896 PWs) bands (ev): -9.3282 -9.3267 -9.2607 -9.2580 -8.3620 -8.3615 -7.7838 -7.7797 -7.7269 -7.7199 -6.6849 -6.6792 -6.6625 -6.6582 -6.5663 -6.5662 0.6996 0.7001 3.9934 3.9934 4.1999 4.2002 5.0804 5.1273 5.2649 5.2697 6.1127 6.1245 6.1938 6.2374 6.2891 6.3062 7.0583 7.0591 7.9225 7.9226 11.1179 11.1565 12.7261 12.7357 12.9057 12.9977 13.6844 13.6885 k = 0.0789 0.5000 0.5040 ( 2898 PWs) bands (ev): -9.3275 -9.3257 -9.2618 -9.2587 -8.3527 -8.3520 -7.7853 -7.7805 -7.7269 -7.7186 -6.6829 -6.6762 -6.6596 -6.6545 -6.5656 -6.5654 0.7134 0.7141 3.9936 3.9936 4.1999 4.2003 4.9848 5.0337 5.1705 5.1754 6.1134 6.1180 6.2638 6.3176 6.3675 6.3700 6.9917 6.9926 7.9221 7.9222 11.1293 11.1754 12.7275 12.7379 12.9173 13.0243 13.7103 13.7154 k = 0.0920 0.5000 0.5040 ( 2900 PWs) bands (ev): -9.3268 -9.3246 -9.2631 -9.2595 -8.3418 -8.3409 -7.7870 -7.7814 -7.7268 -7.7172 -6.6804 -6.6727 -6.6562 -6.6504 -6.5646 -6.5644 0.7298 0.7306 3.9939 3.9939 4.1999 4.2004 4.8899 4.9405 5.0771 5.0822 6.0689 6.0767 6.3568 6.4037 6.4553 6.4556 6.9162 6.9169 7.9217 7.9218 11.1432 11.1964 12.7308 12.7416 12.9328 13.0537 13.7399 13.7461 k = 0.1051 0.5000 0.5040 ( 2904 PWs) bands (ev): -9.3259 -9.3235 -9.2645 -9.2605 -8.3293 -8.3283 -7.7887 -7.7825 -7.7266 -7.7157 -6.6776 -6.6689 -6.6523 -6.6458 -6.5635 -6.5633 0.7486 0.7496 3.9943 3.9943 4.1999 4.2004 4.7959 4.8483 4.9852 4.9904 6.0070 6.0228 6.4518 6.4929 6.5424 6.5430 6.8345 6.8345 7.9212 7.9213 11.1594 11.2195 12.7363 12.7474 12.9523 13.0856 13.7728 13.7802 k = 0.1183 0.5000 0.5040 ( 2904 PWs) bands (ev): -9.3249 -9.3222 -9.2660 -9.2616 -8.3154 -8.3142 -7.7905 -7.7837 -7.7263 -7.7141 -6.6742 -6.6648 -6.6479 -6.6409 -6.5623 -6.5619 0.7699 0.7710 3.9946 3.9946 4.1998 4.2004 4.7034 4.7574 4.8947 4.9001 5.9370 5.9585 6.5437 6.5774 6.6173 6.6248 6.7552 6.7583 7.9206 7.9207 11.1779 11.2444 12.7446 12.7557 12.9755 13.1201 13.8087 13.8172 k = 0.1314 0.5000 0.5040 ( 2898 PWs) bands (ev): -9.3239 -9.3210 -9.2676 -9.2629 -8.3001 -8.2986 -7.7924 -7.7850 -7.7258 -7.7124 -6.6705 -6.6603 -6.6431 -6.6357 -6.5608 -6.5604 0.7937 0.7950 3.9950 3.9950 4.1997 4.2003 4.6126 4.6682 4.8060 4.8116 5.8603 5.8865 6.5852 6.5937 6.6569 6.6919 6.7494 6.7580 7.9200 7.9202 11.1985 11.2712 12.7560 12.7671 13.0023 13.1568 13.8471 13.8566 k = 0.1446 0.5000 0.5040 ( 2896 PWs) bands (ev): -9.3229 -9.3197 -9.2693 -9.2642 -8.2836 -8.2818 -7.7942 -7.7864 -7.7252 -7.7108 -6.6665 -6.6555 -6.6380 -6.6302 -6.5591 -6.5586 0.8199 0.8214 3.9954 3.9955 4.1995 4.2001 4.5238 4.5809 4.7193 4.7250 5.7780 5.8082 6.5012 6.5058 6.7402 6.7748 6.8226 6.8294 7.9194 7.9196 11.2212 11.2997 12.7708 12.7818 13.0326 13.1958 13.8877 13.8982 k = 0.1577 0.5000 0.5040 ( 2892 PWs) bands (ev): -9.3218 -9.3184 -9.2710 -9.2657 -8.2659 -8.2637 -7.7959 -7.7877 -7.7244 -7.7090 -6.6621 -6.6505 -6.6326 -6.6245 -6.5572 -6.5565 0.8485 0.8502 3.9959 3.9959 4.1989 4.1998 4.4371 4.4958 4.6345 4.6404 5.6907 5.7245 6.3939 6.3979 6.8285 6.8604 6.9035 6.9092 7.9188 7.9189 11.2461 11.3299 12.7894 12.8003 13.0661 13.2366 13.9302 13.9416 k = 0.1708 0.5000 0.5040 ( 2900 PWs) bands (ev): -9.3207 -9.3171 -9.2729 -9.2674 -8.2472 -8.2446 -7.7975 -7.7891 -7.7236 -7.7073 -6.6574 -6.6452 -6.6270 -6.6188 -6.5550 -6.5542 0.8795 0.8814 3.9964 3.9964 4.1978 4.1991 4.3532 4.4131 4.5520 4.5580 5.5992 5.6362 6.2795 6.2832 6.9150 6.9444 6.9835 6.9886 7.9181 7.9182 11.2731 11.3617 12.8120 12.8228 13.1024 13.2792 13.9743 13.9863 k = 0.1840 0.5000 0.5040 ( 2902 PWs) bands (ev): -9.3196 -9.3158 -9.2748 -9.2691 -8.2276 -8.2245 -7.7989 -7.7904 -7.7226 -7.7055 -6.6524 -6.6398 -6.6213 -6.6130 -6.5526 -6.5515 0.9128 0.9150 3.9969 3.9969 4.1944 4.1975 4.2737 4.3335 4.4719 4.4781 5.5040 5.5440 6.1610 6.1646 6.9989 7.0259 7.0611 7.0658 7.9174 7.9175 11.3023 11.3953 12.8389 12.8496 13.1415 13.3232 14.0195 14.0320 k = 0.1971 0.5000 0.5040 ( 2896 PWs) bands (ev): -9.3185 -9.3146 -9.2768 -9.2709 -8.2072 -8.2037 -7.8000 -7.7915 -7.7215 -7.7037 -6.6472 -6.6342 -6.6155 -6.6073 -6.5499 -6.5485 0.9484 0.9509 3.9974 3.9974 4.1714 4.1925 4.2161 4.2595 4.3945 4.4007 5.4056 5.4485 6.0399 6.0435 7.0795 7.1042 7.1359 7.1401 7.9167 7.9168 11.3338 11.4305 12.8702 12.8806 13.1828 13.3683 14.0656 14.0785 k = 0.2103 0.5000 0.5040 ( 2892 PWs) bands (ev): -9.3175 -9.3134 -9.2788 -9.2727 -8.1864 -8.1823 -7.8007 -7.7924 -7.7202 -7.7020 -6.6417 -6.6285 -6.6098 -6.6018 -6.5468 -6.5451 0.9863 0.9891 3.9978 3.9978 4.1046 4.1630 4.2043 4.2119 4.3203 4.3262 5.3047 5.3503 5.9174 5.9209 7.1567 7.1792 7.2075 7.2113 7.9159 7.9161 11.3674 11.4675 12.9059 12.9162 13.2262 13.4143 14.1124 14.1254 k = 0.2234 0.5000 0.5040 ( 2894 PWs) bands (ev): -9.3165 -9.3123 -9.2808 -9.2747 -8.1652 -8.1604 -7.8010 -7.7931 -7.7189 -7.7003 -6.6361 -6.6228 -6.6041 -6.5965 -6.5434 -6.5413 1.0263 1.0295 3.9981 3.9982 4.0318 4.0982 4.1988 4.1996 4.2521 4.2561 5.2016 5.2498 5.7945 5.7980 7.2302 7.2505 7.2757 7.2791 7.9152 7.9153 11.4033 11.5061 12.9462 12.9563 13.2713 13.4609 14.1595 14.1724 k = 0.2366 0.5000 0.5040 ( 2902 PWs) bands (ev): -9.3155 -9.3113 -9.2828 -9.2767 -8.1439 -8.1385 -7.8008 -7.7934 -7.7174 -7.6986 -6.6304 -6.6171 -6.5987 -6.5915 -6.5396 -6.5371 1.0685 1.0720 3.9596 3.9982 3.9992 4.0305 4.1649 4.1743 4.2105 4.2137 5.0970 5.1477 5.6720 5.6754 7.2998 7.3180 7.3403 7.3433 7.9144 7.9146 11.4413 11.5462 12.9908 13.0007 13.3177 13.5077 14.2066 14.2193 k = 0.2497 0.5000 0.5040 ( 2904 PWs) bands (ev): -9.3146 -9.3103 -9.2848 -9.2787 -8.1228 -8.1166 -7.8000 -7.7932 -7.7159 -7.6969 -6.6246 -6.6113 -6.5934 -6.5868 -6.5354 -6.5325 1.1127 1.1167 3.8905 3.9623 3.9995 4.0003 4.1031 4.1127 4.2043 4.2070 4.9912 5.0444 5.5508 5.5541 7.3653 7.3814 7.4013 7.4038 7.9137 7.9139 11.4813 11.5878 13.0399 13.0495 13.3653 13.5546 14.2535 14.2659 k = 0.2628 0.5000 0.5040 ( 2908 PWs) bands (ev): -9.3138 -9.3095 -9.2868 -9.2807 -8.1021 -8.0951 -7.7983 -7.7923 -7.7143 -7.6953 -6.6188 -6.6057 -6.5885 -6.5824 -6.5309 -6.5276 1.1589 1.1633 3.8240 3.8990 3.9997 4.0001 4.0402 4.0501 4.2023 4.2045 4.8847 4.9403 5.4315 5.4348 7.4267 7.4408 7.4585 7.4606 7.9129 7.9131 11.5233 11.6307 13.0930 13.1024 13.4136 13.6011 14.3000 14.3118 k = 0.2760 0.5000 0.5040 ( 2908 PWs) bands (ev): -9.3130 -9.3087 -9.2887 -9.2827 -8.0821 -8.0742 -7.7958 -7.7908 -7.7126 -7.6938 -6.6130 -6.6001 -6.5838 -6.5784 -6.5260 -6.5223 1.2069 1.2118 3.7604 3.8383 3.9784 3.9870 4.0014 4.0027 4.2008 4.2027 4.7780 4.8360 5.3150 5.3182 7.4839 7.4960 7.5120 7.5136 7.9122 7.9124 11.5669 11.6745 13.1499 13.1591 13.4624 13.6472 14.3457 14.3569 k = 0.2891 0.5000 0.5040 ( 2916 PWs) bands (ev): -9.3122 -9.3080 -9.2906 -9.2848 -8.0630 -8.0543 -7.7923 -7.7883 -7.7109 -7.6923 -6.6072 -6.5947 -6.5794 -6.5746 -6.5209 -6.5169 1.2565 1.2620 3.6998 3.7806 3.9208 3.9310 4.0014 4.0016 4.1993 4.2010 4.6714 4.7319 5.2020 5.2050 7.5368 7.5472 7.5618 7.5629 7.9115 7.9117 11.6119 11.7191 13.2104 13.2192 13.5116 13.6924 14.3905 14.4009 k = 0.3023 0.5000 0.5040 ( 2920 PWs) bands (ev): -9.3115 -9.3074 -9.2924 -9.2868 -8.0453 -8.0356 -7.7878 -7.7848 -7.7091 -7.6909 -6.6015 -6.5895 -6.5753 -6.5712 -6.5155 -6.5114 1.3078 1.3138 3.6421 3.7261 3.8658 3.8767 4.0018 4.0018 4.1974 4.1990 4.5654 4.6284 5.0931 5.0960 7.5856 7.5942 7.6079 7.6084 7.9108 7.9111 11.6580 11.7640 13.2738 13.2824 13.5607 13.7366 14.4342 14.4437 k = 0.3154 0.5000 0.5040 ( 2920 PWs) bands (ev): -9.3109 -9.3068 -9.2942 -9.2887 -8.0289 -8.0186 -7.7820 -7.7802 -7.7073 -7.6896 -6.5959 -6.5845 -6.5714 -6.5680 -6.5101 -6.5058 1.3603 1.3670 3.5876 3.6750 3.8138 3.8255 4.0022 4.0022 4.1952 4.1967 4.4605 4.5260 4.9890 4.9918 7.6302 7.6372 7.6503 7.6503 7.9101 7.9104 11.7048 11.8089 13.3397 13.3481 13.6095 13.7794 14.4764 14.4850 k = 0.3286 0.5000 0.5040 ( 2916 PWs) bands (ev): -9.3103 -9.3064 -9.2958 -9.2906 -8.0143 -8.0033 -7.7752 -7.7744 -7.7054 -7.6884 -6.5904 -6.5797 -6.5678 -6.5649 -6.5045 -6.5003 1.4140 1.4214 3.5362 3.6272 3.7651 3.7776 4.0025 4.0025 4.1923 4.1937 4.3571 4.4252 4.8904 4.8931 7.6707 7.6763 7.6886 7.6890 7.9094 7.9098 11.7519 11.8532 13.4074 13.4156 13.6577 13.8208 14.5170 14.5246 k = 0.3417 0.5000 0.5040 ( 2914 PWs) bands (ev): -9.3097 -9.3060 -9.2974 -9.2925 -8.0014 -7.9900 -7.7673 -7.7672 -7.7036 -7.6873 -6.5852 -6.5753 -6.5644 -6.5621 -6.4991 -6.4949 1.4685 1.4766 3.4881 3.5828 3.7196 3.7330 4.0028 4.0028 4.1887 4.1900 4.2559 4.3264 4.7981 4.8006 7.7072 7.7118 7.7235 7.7242 7.9088 7.9093 11.7987 11.8965 13.4763 13.4842 13.7052 13.8602 14.5558 14.5625 k = 0.3548 0.5000 0.5040 ( 2910 PWs) bands (ev): -9.3092 -9.3057 -9.2988 -9.2942 -7.9902 -7.9787 -7.7592 -7.7584 -7.7018 -7.6863 -6.5802 -6.5712 -6.5611 -6.5595 -6.4938 -6.4897 1.5236 1.5323 3.4432 3.5418 3.6775 3.6919 4.0029 4.0030 4.1571 4.1840 4.1853 4.2302 4.7126 4.7150 7.7400 7.7436 7.7550 7.7559 7.9083 7.9088 11.8448 11.9383 13.5456 13.5532 13.7514 13.8976 14.5924 14.5982 k = 0.3680 0.5000 0.5040 ( 2902 PWs) bands (ev): -9.3087 -9.3055 -9.3001 -9.2959 -7.9808 -7.9693 -7.7501 -7.7490 -7.7000 -7.6854 -6.5755 -6.5675 -6.5581 -6.5570 -6.4886 -6.4848 1.5787 1.5881 3.4018 3.5041 3.6387 3.6543 4.0030 4.0031 4.0620 4.1372 4.1780 4.1791 4.6349 4.6371 7.7691 7.7720 7.7833 7.7843 7.9078 7.9084 11.8897 11.9780 13.6142 13.6218 13.7961 13.9327 14.6268 14.6318 k = 0.3811 0.5000 0.5040 ( 2898 PWs) bands (ev): -9.3083 -9.3053 -9.3013 -9.2974 -7.9729 -7.9618 -7.7406 -7.7392 -7.6983 -7.6846 -6.5711 -6.5642 -6.5552 -6.5547 -6.4838 -6.4802 1.6334 1.6434 3.3638 3.4696 3.6034 3.6203 3.9705 4.0030 4.0033 4.0481 4.1701 4.1711 4.5658 4.5677 7.7946 7.7971 7.8085 7.8095 7.9073 7.9081 11.9328 12.0152 13.6813 13.6888 13.8389 13.9650 14.6586 14.6629 k = 0.3943 0.5000 0.5040 ( 2900 PWs) bands (ev): -9.3079 -9.3053 -9.3024 -9.2989 -7.9663 -7.9559 -7.7308 -7.7294 -7.6966 -7.6839 -6.5671 -6.5612 -6.5526 -6.5526 -6.4792 -6.4760 1.6870 1.6975 3.3294 3.4381 3.5716 3.5899 3.8847 3.9631 4.0029 4.0030 4.1602 4.1611 4.5059 4.5076 7.8169 7.8190 7.8307 7.8315 7.9070 7.9079 11.9737 12.0493 13.7459 13.7535 13.8794 13.9944 14.6877 14.6913 k = 0.4074 0.5000 0.5040 ( 2912 PWs) bands (ev): -9.3076 -9.3053 -9.3033 -9.3003 -7.9609 -7.9514 -7.7212 -7.7201 -7.6949 -7.6833 -6.5635 -6.5586 -6.5507 -6.5502 -6.4751 -6.4722 1.7389 1.7497 3.2990 3.4090 3.5435 3.5631 3.8052 3.8837 4.0025 4.0025 4.1480 4.1486 4.4559 4.4574 7.8360 7.8379 7.8499 7.8506 7.9068 7.9078 12.0118 12.0798 13.8068 13.8146 13.9172 14.0204 14.7138 14.7169 k = 0.4206 0.5000 0.5040 ( 2910 PWs) bands (ev): -9.3072 -9.3054 -9.3039 -9.3015 -7.9565 -7.9481 -7.7121 -7.7115 -7.6933 -7.6827 -6.5602 -6.5564 -6.5489 -6.5480 -6.4714 -6.4688 1.7881 1.7989 3.2727 3.3818 3.5192 3.5400 3.7336 3.8102 4.0019 4.0019 4.1336 4.1342 4.4159 4.4171 7.8520 7.8539 7.8663 7.8669 7.9068 7.9079 12.0466 12.1065 13.8629 13.8711 13.9516 14.0428 14.7368 14.7394 k = 0.4337 0.5000 0.5040 ( 2908 PWs) bands (ev): -9.3069 -9.3056 -9.3044 -9.3026 -7.9529 -7.9457 -7.7041 -7.7039 -7.6916 -7.6821 -6.5575 -6.5546 -6.5473 -6.5462 -6.4681 -6.4660 1.8336 1.8439 3.2510 3.3556 3.4992 3.5206 3.6715 3.7435 4.0009 4.0009 4.1181 4.1184 4.3854 4.3863 7.8651 7.8670 7.8800 7.8804 7.9070 7.9083 12.0777 12.1288 13.9131 13.9220 13.9823 14.0612 14.7565 14.7586 k = 0.4468 0.5000 0.5040 ( 2906 PWs) bands (ev): -9.3066 -9.3058 -9.3047 -9.3035 -7.9501 -7.9442 -7.6979 -7.6975 -7.6896 -7.6814 -6.5551 -6.5530 -6.5458 -6.5448 -6.4654 -6.4636 1.8741 1.8835 3.2346 3.3295 3.4841 3.5049 3.6207 3.6846 3.9996 3.9996 4.1027 4.1029 4.3632 4.3639 7.8753 7.8772 7.8911 7.8912 7.9076 7.9089 12.1048 12.1465 13.9563 13.9661 14.0089 14.0753 14.7727 14.7744 k = 0.4600 0.5000 0.5040 ( 2902 PWs) bands (ev): -9.3064 -9.3060 -9.3049 -9.3043 -7.9477 -7.9432 -7.6935 -7.6933 -7.6867 -7.6805 -6.5533 -6.5519 -6.5446 -6.5437 -6.4631 -6.4618 1.9082 1.9161 3.2242 3.3033 3.4743 3.4928 3.5822 3.6343 3.9981 3.9981 4.0892 4.0893 4.3478 4.3483 7.8828 7.8846 7.8994 7.8995 7.9088 7.9099 12.1275 12.1594 13.9916 14.0021 14.0311 14.0847 14.7854 14.7867 k = 0.4731 0.5000 0.5040 ( 2890 PWs) bands (ev): -9.3062 -9.3061 -9.3051 -9.3049 -7.9459 -7.9428 -7.6911 -7.6909 -7.6833 -7.6794 -6.5520 -6.5511 -6.5437 -6.5429 -6.4614 -6.4605 1.9345 1.9403 3.2205 3.2779 3.4700 3.4841 3.5566 3.5937 3.9964 3.9964 4.0788 4.0788 4.3378 4.3381 7.8878 7.8892 7.9049 7.9053 7.9105 7.9111 12.1455 12.1673 14.0183 14.0282 14.0499 14.0890 14.7946 14.7954 k = 0.4863 0.5000 0.5040 ( 2876 PWs) bands (ev): -9.3061 -9.3060 -9.3052 -9.3052 -7.9445 -7.9429 -7.6901 -7.6898 -7.6806 -7.6787 -6.5511 -6.5506 -6.5430 -6.5425 -6.4603 -6.4598 1.9518 1.9550 3.2239 3.2551 3.4703 3.4781 3.5440 3.5640 3.9951 3.9951 4.0723 4.0723 4.3322 4.3324 7.8907 7.8914 7.9079 7.9084 7.9123 7.9124 12.1586 12.1700 14.0358 14.0420 14.0665 14.0879 14.8002 14.8006 k = 0.4994 0.5000 0.5040 ( 2872 PWs) bands (ev): -9.3060 -9.3060 -9.3053 -9.3053 -7.9436 -7.9434 -7.6896 -7.6896 -7.6791 -7.6789 -6.5506 -6.5506 -6.5426 -6.5425 -6.4598 -6.4597 1.9590 1.9592 3.2346 3.2373 3.4733 3.4739 3.5454 3.5471 3.9946 3.9946 4.0700 4.0700 4.3304 4.3304 7.8918 7.8919 7.9091 7.9091 7.9131 7.9131 12.1666 12.1676 14.0439 14.0444 14.0793 14.0811 14.8023 14.8024 k = 0.4994 0.5000 0.5040 ( 2872 PWs) bands (ev): -9.3060 -9.3060 -9.3053 -9.3053 -7.9436 -7.9434 -7.6896 -7.6896 -7.6791 -7.6789 -6.5506 -6.5506 -6.5426 -6.5425 -6.4598 -6.4597 1.9590 1.9592 3.2346 3.2373 3.4733 3.4739 3.5454 3.5471 3.9946 3.9946 4.0700 4.0700 4.3304 4.3304 7.8918 7.8919 7.9091 7.9091 7.9131 7.9131 12.1666 12.1676 14.0439 14.0444 14.0793 14.0811 14.8023 14.8024 k = 0.4902 0.4907 0.5040 ( 2872 PWs) bands (ev): -9.3062 -9.3060 -9.3053 -9.3052 -7.9448 -7.9426 -7.6901 -7.6896 -7.6810 -7.6785 -6.5512 -6.5506 -6.5430 -6.5424 -6.4604 -6.4598 1.9511 1.9555 3.2185 3.2616 3.4676 3.4788 3.5412 3.5684 3.9951 3.9951 4.0724 4.0724 4.3322 4.3324 7.8905 7.8916 7.9078 7.9085 7.9122 7.9123 12.1565 12.1722 14.0354 14.0445 14.0617 14.0918 14.7993 14.7999 k = 0.4809 0.4815 0.5040 ( 2896 PWs) bands (ev): -9.3063 -9.3060 -9.3050 -9.3050 -7.9465 -7.9422 -7.6911 -7.6902 -7.6843 -7.6794 -6.5522 -6.5510 -6.5438 -6.5426 -6.4617 -6.4604 1.9334 1.9415 3.2103 3.2912 3.4625 3.4846 3.5522 3.6025 3.9966 3.9966 4.0789 4.0790 4.3374 4.3378 7.8878 7.8898 7.9052 7.9058 7.9095 7.9104 12.1415 12.1718 14.0186 14.0329 14.0421 14.0971 14.7913 14.7925 k = 0.4717 0.4722 0.5040 ( 2900 PWs) bands (ev): -9.3063 -9.3062 -9.3047 -9.3044 -7.9486 -7.9422 -7.6928 -7.6913 -7.6886 -7.6816 -6.5537 -6.5519 -6.5447 -6.5431 -6.4635 -6.4616 1.9070 1.9181 3.2097 3.3230 3.4608 3.4927 3.5777 3.6474 3.9990 3.9990 4.0897 4.0898 4.3462 4.3467 7.8836 7.8861 7.9008 7.9014 7.9051 7.9075 12.1218 12.1663 13.9929 14.0011 14.0299 14.0981 14.7785 14.7804 k = 0.4624 0.4630 0.5040 ( 2904 PWs) bands (ev): -9.3063 -9.3062 -9.3044 -9.3038 -7.9512 -7.9426 -7.6966 -7.6934 -7.6927 -7.6846 -6.5556 -6.5533 -6.5460 -6.5438 -6.4659 -6.4633 1.8734 1.8867 3.2157 3.3535 3.4645 3.5038 3.6177 3.7020 4.0020 4.0020 4.1046 4.1047 4.3585 4.3593 7.8775 7.8800 7.8938 7.8968 7.8992 7.9038 12.0975 12.1558 13.9583 13.9600 14.0150 14.0957 14.7610 14.7636 k = 0.4532 0.4537 0.5040 ( 2912 PWs) bands (ev): -9.3064 -9.3059 -9.3041 -9.3030 -7.9542 -7.9434 -7.7034 -7.6967 -7.6954 -7.6880 -6.5580 -6.5551 -6.5475 -6.5447 -6.4689 -6.4656 1.8341 1.8486 3.2273 3.3800 3.4745 3.5180 3.6721 3.7656 4.0056 4.0056 4.1237 4.1238 4.3747 4.3756 7.8694 7.8713 7.8851 7.8910 7.8926 7.8991 12.0687 12.1401 13.9111 13.9150 13.9968 14.0903 14.7390 14.7424 k = 0.4439 0.4444 0.5040 ( 2912 PWs) bands (ev): -9.3064 -9.3056 -9.3037 -9.3022 -7.9576 -7.9447 -7.7119 -7.7021 -7.6980 -7.6911 -6.5607 -6.5572 -6.5492 -6.5460 -6.4723 -6.4684 1.7904 1.8056 3.2434 3.4024 3.4908 3.5355 3.7398 3.8375 4.0096 4.0096 4.1468 4.1470 4.3947 4.3958 7.8589 7.8599 7.8749 7.8822 7.8870 7.8936 12.0357 12.1194 13.8551 13.8636 13.9758 14.0825 14.7129 14.7169 k = 0.4347 0.4352 0.5040 ( 2916 PWs) bands (ev): -9.3065 -9.3052 -9.3033 -9.3012 -7.9617 -7.9465 -7.7217 -7.7093 -7.7009 -7.6939 -6.5639 -6.5599 -6.5512 -6.5474 -6.4764 -6.4717 1.7436 1.7589 3.2632 3.4222 3.5126 3.5563 3.8186 3.9167 4.0138 4.0138 4.1740 4.1742 4.4188 4.4201 7.8458 7.8461 7.8634 7.8714 7.8811 7.8873 11.9987 12.0937 13.7929 13.8048 13.9526 14.0729 14.6829 14.6875 k = 0.4254 0.4259 0.5040 ( 2912 PWs) bands (ev): -9.3065 -9.3048 -9.3028 -9.3002 -7.9663 -7.9490 -7.7327 -7.7182 -7.7040 -7.6966 -6.5674 -6.5629 -6.5533 -6.5491 -6.4808 -6.4753 1.6948 1.7099 3.2861 3.4412 3.5387 3.5804 3.9063 4.0023 4.0181 4.0184 4.2052 4.2054 4.4470 4.4486 7.8301 7.8304 7.8503 7.8588 7.8745 7.8802 11.9579 12.0630 13.7253 13.7397 13.9278 14.0616 14.6494 14.6545 k = 0.4162 0.4167 0.5040 ( 2916 PWs) bands (ev): -9.3065 -9.3043 -9.3023 -9.2990 -7.9715 -7.9520 -7.7448 -7.7284 -7.7074 -7.6994 -6.5714 -6.5662 -6.5557 -6.5510 -6.4857 -6.4794 1.6450 1.6595 3.3115 3.4609 3.5686 3.6077 4.0006 4.0219 4.0230 4.0947 4.2402 4.2404 4.4794 4.4812 7.8120 7.8127 7.8354 7.8444 7.8671 7.8723 11.9137 12.0277 13.6532 13.6692 13.9019 14.0491 14.6124 14.6181 k = 0.4069 0.4074 0.5040 ( 2904 PWs) bands (ev): -9.3064 -9.3037 -9.3016 -9.2978 -7.9774 -7.9559 -7.7578 -7.7398 -7.7111 -7.7024 -6.5756 -6.5699 -6.5582 -6.5530 -6.4910 -6.4839 1.5949 1.6086 3.3393 3.4821 3.6018 3.6382 4.0260 4.0260 4.1023 4.1916 4.2792 4.2793 4.5161 4.5181 7.7920 7.7931 7.8185 7.8280 7.8590 7.8636 11.8664 11.9879 13.5775 13.5941 13.8754 14.0357 14.5724 14.5786 k = 0.3977 0.3981 0.5040 ( 2906 PWs) bands (ev): -9.3064 -9.3032 -9.3009 -9.2966 -7.9841 -7.9605 -7.7717 -7.7523 -7.7149 -7.7055 -6.5801 -6.5740 -6.5609 -6.5553 -6.4967 -6.4887 1.5450 1.5579 3.3692 3.5050 3.6381 3.6719 4.0299 4.0300 4.2074 4.2922 4.3220 4.3226 4.5570 4.5592 7.7704 7.7717 7.7994 7.8094 7.8499 7.8540 11.8164 11.9440 13.4990 13.5155 13.8487 14.0217 14.5295 14.5361 k = 0.3884 0.3889 0.5040 ( 2902 PWs) bands (ev): -9.3062 -9.3026 -9.3000 -9.2953 -7.9915 -7.9662 -7.7862 -7.7657 -7.7189 -7.7087 -6.5849 -6.5784 -6.5637 -6.5577 -6.5026 -6.4938 1.4958 1.5078 3.4009 3.5298 3.6775 3.7087 4.0337 4.0338 4.3158 4.3661 4.3690 4.4000 4.6022 4.6045 7.7471 7.7487 7.7779 7.7887 7.8400 7.8436 11.7642 11.8963 13.4185 13.4342 13.8222 14.0073 14.4839 14.4908 k = 0.3792 0.3796 0.5040 ( 2912 PWs) bands (ev): -9.3061 -9.3020 -9.2991 -9.2939 -7.9998 -7.9729 -7.8012 -7.7800 -7.7231 -7.7120 -6.5899 -6.5830 -6.5666 -6.5603 -6.5088 -6.4991 1.4478 1.4589 3.4344 3.5566 3.7197 3.7483 4.0376 4.0377 4.4118 4.4164 4.4348 4.5077 4.6515 4.6539 7.7225 7.7243 7.7540 7.7656 7.8291 7.8324 11.7102 11.8455 13.3368 13.3510 13.7961 13.9925 14.4357 14.4429 k = 0.3699 0.3704 0.5040 ( 2912 PWs) bands (ev): -9.3059 -9.3015 -9.2981 -9.2925 -8.0090 -7.9809 -7.8166 -7.7950 -7.7273 -7.7155 -6.5951 -6.5878 -6.5697 -6.5630 -6.5152 -6.5047 1.4013 1.4114 3.4696 3.5855 3.7645 3.7906 4.0417 4.0417 4.4683 4.4695 4.5459 4.6186 4.7048 4.7072 7.6965 7.6986 7.7275 7.7402 7.8173 7.8202 11.6550 11.7920 13.2546 13.2666 13.7706 13.9775 14.3852 14.3924 k = 0.3607 0.3611 0.5040 ( 2912 PWs) bands (ev): -9.3057 -9.3009 -9.2970 -9.2911 -8.0191 -7.9902 -7.8321 -7.8106 -7.7315 -7.7190 -6.6004 -6.5929 -6.5728 -6.5659 -6.5216 -6.5104 1.3564 1.3657 3.5064 3.6163 3.8114 3.8349 4.0464 4.0466 4.5246 4.5257 4.6619 4.7313 4.7623 4.7648 7.6694 7.6718 7.6982 7.7123 7.8045 7.8070 11.5990 11.7364 13.1724 13.1818 13.7459 13.9621 14.3327 14.3394 k = 0.3514 0.3519 0.5040 ( 2916 PWs) bands (ev): -9.3054 -9.3003 -9.2959 -9.2896 -8.0303 -8.0012 -7.8475 -7.8267 -7.7357 -7.7227 -6.6058 -6.5981 -6.5759 -6.5690 -6.5282 -6.5162 1.3134 1.3219 3.5448 3.6490 3.8595 3.8804 4.0525 4.0531 4.5837 4.5849 4.7784 4.8235 4.8249 4.8482 7.6413 7.6442 7.6663 7.6819 7.7907 7.7929 11.5428 11.6792 13.0909 13.0972 13.7219 13.9461 14.2785 14.2841 k = 0.3422 0.3426 0.5040 ( 2916 PWs) bands (ev): -9.3051 -9.2997 -9.2946 -9.2881 -8.0426 -8.0138 -7.8627 -7.8431 -7.7399 -7.7264 -6.6113 -6.6035 -6.5791 -6.5722 -6.5347 -6.5222 1.2725 1.2802 3.5846 3.6836 3.9071 3.9248 4.0618 4.0635 4.6455 4.6470 4.8793 4.8886 4.9077 4.9632 7.6122 7.6158 7.6315 7.6491 7.7758 7.7779 11.4868 11.6212 13.0105 13.0134 13.6984 13.9287 14.2233 14.2265 k = 0.3329 0.3333 0.5040 ( 2912 PWs) bands (ev): -9.3048 -9.2991 -9.2934 -9.2867 -8.0560 -8.0281 -7.8776 -7.8597 -7.7440 -7.7301 -6.6167 -6.6089 -6.5824 -6.5755 -6.5411 -6.5282 1.2338 1.2407 3.6260 3.7200 3.9501 3.9635 4.0783 4.0822 4.7099 4.7118 4.9514 4.9563 5.0231 5.0795 7.5822 7.5868 7.5939 7.6142 7.7600 7.7618 11.4315 11.5628 12.9310 12.9319 13.6752 13.9089 14.1669 14.1681 k = 0.3237 0.3241 0.5040 ( 2904 PWs) bands (ev): -9.3043 -9.2984 -9.2921 -9.2852 -8.0705 -8.0441 -7.8920 -7.8764 -7.7480 -7.7339 -6.6222 -6.6143 -6.5856 -6.5791 -6.5474 -6.5343 1.1973 1.2036 3.6687 3.7582 3.9824 3.9908 4.1080 4.1150 4.7767 4.7792 5.0231 5.0271 5.1422 5.1957 7.5509 7.5535 7.5576 7.5776 7.7431 7.7447 11.3773 11.5045 12.8505 12.8555 13.6518 13.8847 14.1055 14.1147 k = 0.3144 0.3148 0.5040 ( 2904 PWs) bands (ev): -9.3039 -9.2977 -9.2907 -9.2837 -8.0862 -8.0618 -7.9059 -7.8930 -7.7519 -7.7378 -6.6275 -6.6198 -6.5888 -6.5829 -6.5534 -6.5403 1.1632 1.1688 3.7127 3.7980 4.0015 4.0062 4.1533 4.1622 4.8457 4.8488 5.0973 5.1008 5.2611 5.3114 7.5108 7.5174 7.5280 7.5408 7.7252 7.7265 11.3245 11.4470 12.7724 12.7818 13.6277 13.8535 14.0429 14.0657 k = 0.3052 0.3056 0.5040 ( 2904 PWs) bands (ev): -9.3033 -9.2970 -9.2894 -9.2823 -8.1030 -8.0810 -7.9194 -7.9095 -7.7558 -7.7418 -6.6328 -6.6253 -6.5920 -6.5870 -6.5591 -6.5464 1.1315 1.1365 3.7581 3.8394 4.0118 4.0144 4.2099 4.2191 4.9167 4.9206 5.1743 5.1774 5.3790 5.4258 7.4656 7.4799 7.4986 7.5059 7.7062 7.7073 11.2735 11.3904 12.6972 12.7112 13.6019 13.8124 13.9795 14.0234 k = 0.2959 0.2963 0.5040 ( 2900 PWs) bands (ev): -9.3028 -9.2962 -9.2880 -9.2808 -8.1209 -8.1015 -7.9326 -7.9258 -7.7595 -7.7458 -6.6378 -6.6306 -6.5952 -6.5913 -6.5644 -6.5524 1.1022 1.1066 3.8045 3.8821 4.0177 4.0192 4.2734 4.2818 4.9895 4.9942 5.2538 5.2565 5.4951 5.5381 7.4186 7.4382 7.4694 7.4737 7.6861 7.6870 11.2243 11.3352 12.6255 12.6443 13.5734 13.7601 13.9165 13.9889 k = 0.2867 0.2870 0.5040 ( 2904 PWs) bands (ev): -9.3021 -9.2954 -9.2867 -9.2794 -8.1399 -8.1232 -7.9455 -7.9418 -7.7631 -7.7498 -6.6427 -6.6359 -6.5984 -6.5959 -6.5692 -6.5583 1.0753 1.0793 3.8520 3.9256 4.0220 4.0224 4.3413 4.3487 5.0637 5.0694 5.3358 5.3380 5.6084 5.6474 7.3701 7.3940 7.4407 7.4435 7.6649 7.6656 11.1771 11.2815 12.5576 12.5815 13.5404 13.6976 13.8551 13.9604 k = 0.2774 0.2778 0.5040 ( 2900 PWs) bands (ev): -9.3014 -9.2946 -9.2853 -9.2780 -8.1597 -8.1459 -7.9581 -7.9575 -7.7666 -7.7539 -6.6474 -6.6410 -6.6015 -6.6008 -6.5736 -6.5641 1.0509 1.0544 3.9000 3.9684 4.0251 4.0271 4.4125 4.4186 5.1392 5.1459 5.4201 5.4218 5.7180 5.7527 7.3211 7.3489 7.4127 7.4146 7.6427 7.6431 11.1320 11.2294 12.4941 12.5232 13.5013 13.6273 13.7971 13.9352 k = 0.2682 0.2685 0.5040 ( 2892 PWs) bands (ev): -9.3006 -9.2938 -9.2839 -9.2767 -8.1805 -8.1693 -7.9728 -7.9706 -7.7701 -7.7581 -6.6518 -6.6460 -6.6058 -6.6045 -6.5776 -6.5698 1.0290 1.0320 3.9471 4.0017 4.0291 4.0423 4.4863 4.4912 5.2155 5.2234 5.5065 5.5076 5.8226 5.8526 7.2725 7.3043 7.3857 7.3871 7.6193 7.6195 11.0887 11.1790 12.4355 12.4700 13.4541 13.5511 13.7440 13.9107 k = 0.2590 0.2593 0.5040 ( 2894 PWs) bands (ev): -9.2998 -9.2929 -9.2825 -9.2754 -8.2019 -8.1932 -7.9877 -7.9830 -7.7735 -7.7623 -6.6559 -6.6507 -6.6110 -6.6076 -6.5812 -6.5753 1.0094 1.0120 3.9876 4.0130 4.0404 4.0800 4.5625 4.5661 5.2923 5.3015 5.5947 5.5953 5.9206 5.9455 7.2259 7.2618 7.3600 7.3610 7.5948 7.5948 11.0471 11.1301 12.3821 12.4222 13.3978 13.4703 13.6968 13.8851 k = 0.2497 0.2500 0.5040 ( 2898 PWs) bands (ev): -9.2989 -9.2920 -9.2812 -9.2741 -8.2240 -8.2176 -8.0023 -7.9953 -7.7769 -7.7666 -6.6598 -6.6552 -6.6162 -6.6106 -6.5845 -6.5806 0.9922 0.9945 4.0071 4.0156 4.0731 4.1273 4.6405 4.6428 5.3693 5.3798 5.6846 5.6846 6.0099 6.0292 7.1832 7.2236 7.3358 7.3366 7.5690 7.5693 11.0069 11.0825 12.3345 12.3801 13.3327 13.3859 13.6550 13.8574 k = 0.2405 0.2407 0.5040 ( 2898 PWs) bands (ev): -9.2979 -9.2910 -9.2799 -9.2729 -8.2465 -8.2422 -8.0166 -8.0075 -7.7803 -7.7710 -6.6633 -6.6595 -6.6214 -6.6136 -6.5875 -6.5857 0.9773 0.9793 4.0122 4.0161 4.1211 4.1776 4.7203 4.7213 5.4460 5.4579 5.7753 5.7759 6.0877 6.1011 7.1472 7.1922 7.3136 7.3142 7.5422 7.5426 10.9679 11.0361 12.2930 12.3442 13.2601 13.2987 13.6176 13.8270 k = 0.2312 0.2315 0.5040 ( 2898 PWs) bands (ev): -9.2969 -9.2901 -9.2785 -9.2717 -8.2693 -8.2670 -8.0305 -8.0197 -7.7837 -7.7754 -6.6666 -6.6634 -6.6265 -6.6166 -6.5904 -6.5902 0.9647 0.9664 4.0134 4.0158 4.1736 4.2294 4.8011 4.8014 5.5219 5.5352 5.8672 5.8685 6.1507 6.1583 7.1211 7.1706 7.2935 7.2942 7.5142 7.5149 10.9295 10.9906 12.2578 12.3145 13.1815 13.2092 13.5829 13.7940 k = 0.2220 0.2222 0.5040 ( 2902 PWs) bands (ev): -9.2958 -9.2890 -9.2772 -9.2706 -8.2924 -8.2917 -8.0440 -8.0318 -7.7871 -7.7798 -6.6696 -6.6672 -6.6315 -6.6196 -6.5949 -6.5928 0.9542 0.9557 4.0133 4.0150 4.2279 4.2823 4.8821 4.8838 5.5966 5.6114 5.9602 5.9621 6.1955 6.1978 7.1085 7.1616 7.2761 7.2769 7.4853 7.4862 10.8915 10.9456 12.2291 12.2911 13.0987 13.1179 13.5498 13.7587 k = 0.2127 0.2130 0.5040 ( 2896 PWs) bands (ev): -9.2946 -9.2880 -9.2759 -9.2695 -8.3163 -8.3155 -8.0571 -8.0438 -7.7905 -7.7843 -6.6723 -6.6706 -6.6362 -6.6227 -6.5989 -6.5951 0.9459 0.9471 4.0126 4.0140 4.2834 4.3362 4.9640 4.9670 5.6694 5.6857 6.0540 6.0565 6.2179 6.2196 7.1118 7.1670 7.2618 7.2630 7.4553 7.4564 10.8535 10.9010 12.2069 12.2739 13.0131 13.0255 13.5174 13.7216 k = 0.2035 0.2037 0.5040 ( 2896 PWs) bands (ev): -9.2934 -9.2869 -9.2747 -9.2685 -8.3406 -8.3385 -8.0699 -8.0557 -7.7939 -7.7888 -6.6747 -6.6738 -6.6408 -6.6259 -6.6026 -6.5972 0.9397 0.9407 4.0116 4.0127 4.3397 4.3909 5.0465 5.0509 5.7398 5.7575 6.1483 6.1514 6.2186 6.2225 7.1317 7.1864 7.2510 7.2533 7.4243 7.4256 10.8152 10.8564 12.1909 12.2624 12.9260 12.9325 13.4852 13.6834 k = 0.1942 0.1944 0.5040 ( 2900 PWs) bands (ev): -9.2921 -9.2858 -9.2734 -9.2675 -8.3646 -8.3614 -8.0823 -8.0674 -7.7974 -7.7933 -6.6769 -6.6767 -6.6451 -6.6292 -6.6058 -6.5992 0.9353 0.9361 4.0103 4.0112 4.3966 4.4461 5.1293 5.1350 5.8070 5.8262 6.2006 6.2057 6.2442 6.2472 7.1663 7.2153 7.2442 7.2513 7.3925 7.3940 10.7762 10.8117 12.1805 12.2557 12.8388 12.8399 13.4531 13.6447 k = 0.1850 0.1852 0.5040 ( 2892 PWs) bands (ev): -9.2907 -9.2846 -9.2722 -9.2665 -8.3881 -8.3840 -8.0942 -8.0789 -7.8008 -7.7977 -6.6793 -6.6788 -6.6491 -6.6325 -6.6085 -6.6010 0.9328 0.9334 4.0088 4.0097 4.4539 4.5018 5.2121 5.2193 5.8705 5.8910 6.1697 6.1741 6.3389 6.3425 7.2118 7.2333 7.2421 7.2746 7.3598 7.3614 10.7365 10.7667 12.1748 12.2523 12.7487 12.7533 13.4212 13.6060 k = 0.1757 0.1759 0.5040 ( 2896 PWs) bands (ev): -9.2893 -9.2835 -9.2710 -9.2657 -8.4111 -8.4062 -8.1058 -8.0903 -7.8043 -7.8021 -6.6817 -6.6806 -6.6529 -6.6359 -6.6108 -6.6027 0.9319 0.9325 4.0072 4.0080 4.5114 4.5578 5.2945 5.3032 5.9295 5.9512 6.1278 6.1309 6.4341 6.4378 7.2396 7.2431 7.2661 7.3210 7.3268 7.3282 10.6958 10.7213 12.1720 12.2495 12.6607 12.6725 13.3896 13.5679 k = 0.1665 0.1667 0.5040 ( 2902 PWs) bands (ev): -9.2878 -9.2823 -9.2699 -9.2648 -8.4335 -8.4280 -8.1169 -8.1013 -7.8078 -7.8065 -6.6840 -6.6822 -6.6564 -6.6393 -6.6127 -6.6042 0.9327 0.9331 4.0056 4.0063 4.5689 4.6138 5.3763 5.3864 5.9831 6.0056 6.0790 6.0801 6.5290 6.5328 7.2483 7.2511 7.2900 7.2939 7.3259 7.3745 10.6540 10.6754 12.1690 12.2427 12.5787 12.6007 13.3587 13.5306 k = 0.1572 0.1574 0.5040 ( 2894 PWs) bands (ev): -9.2863 -9.2810 -9.2688 -9.2640 -8.4551 -8.4492 -8.1276 -8.1120 -7.8113 -7.8108 -6.6860 -6.6836 -6.6595 -6.6427 -6.6143 -6.6055 0.9348 0.9351 4.0039 4.0045 4.6263 4.6697 5.4570 5.4686 6.0167 6.0189 6.0388 6.0606 6.6236 6.6272 7.2541 7.2592 7.2618 7.2665 7.3839 7.4299 10.6113 10.6289 12.1609 12.2247 12.5074 12.5449 13.3288 13.4948 k = 0.1480 0.1481 0.5040 ( 2894 PWs) bands (ev): -9.2848 -9.2798 -9.2677 -9.2632 -8.4760 -8.4697 -8.1377 -8.1225 -7.8149 -7.8148 -6.6879 -6.6850 -6.6623 -6.6459 -6.6155 -6.6067 0.9383 0.9385 4.0022 4.0027 4.6833 4.7254 5.5361 5.5492 5.9627 5.9634 6.0765 6.1021 6.7176 6.7208 7.2202 7.2240 7.2805 7.2838 7.4429 7.4855 10.5674 10.5818 12.1404 12.1886 12.4539 12.5117 13.3005 13.4606 k = 0.1387 0.1389 0.5040 ( 2886 PWs) bands (ev): -9.2832 -9.2785 -9.2666 -9.2625 -8.4960 -8.4895 -8.1474 -8.1325 -7.8190 -7.8182 -6.6896 -6.6862 -6.6648 -6.6491 -6.6163 -6.6077 0.9428 0.9429 4.0004 4.0010 4.7397 4.7805 5.6131 5.6275 5.9030 5.9045 6.1131 6.1398 6.8106 6.8131 7.1846 7.1884 7.3043 7.3076 7.5006 7.5400 10.5226 10.5341 12.1014 12.1342 12.4239 12.5009 13.2742 13.4285 k = 0.1295 0.1296 0.5040 ( 2886 PWs) bands (ev): -9.2816 -9.2773 -9.2656 -9.2618 -8.5151 -8.5085 -8.1565 -8.1421 -7.8228 -7.8215 -6.6912 -6.6874 -6.6669 -6.6521 -6.6170 -6.6086 0.9483 0.9484 3.9987 3.9992 4.7953 4.8348 5.6871 5.7018 5.8448 5.8460 6.1441 6.1719 6.9024 6.9040 7.1487 7.1527 7.3328 7.3364 7.5561 7.5923 10.4768 10.4859 12.0452 12.0675 12.4156 12.5059 13.2504 13.3986 k = 0.1202 0.1204 0.5040 ( 2890 PWs) bands (ev): -9.2800 -9.2761 -9.2647 -9.2612 -8.5332 -8.5266 -8.1651 -8.1513 -7.8265 -7.8248 -6.6928 -6.6886 -6.6688 -6.6549 -6.6174 -6.6094 0.9546 0.9546 3.9970 3.9975 4.8498 4.8880 5.7503 5.7522 5.7961 5.8086 6.1697 6.1987 6.9925 6.9931 7.1128 7.1171 7.3652 7.3693 7.6087 7.6419 10.4302 10.4372 11.9788 11.9952 12.4218 12.5195 13.2295 13.3712 k = 0.1110 0.1111 0.5040 ( 2892 PWs) bands (ev): -9.2784 -9.2748 -9.2638 -9.2606 -8.5503 -8.5438 -8.1731 -8.1600 -7.8300 -7.8280 -6.6942 -6.6897 -6.6703 -6.6575 -6.6176 -6.6101 0.9614 0.9615 3.9954 3.9958 4.9028 4.9398 5.7147 5.7237 5.8345 5.8591 6.1904 6.2207 7.0734 7.0752 7.0818 7.0890 7.4007 7.4057 7.6580 7.6883 10.3829 10.3882 11.9084 11.9216 12.4360 12.5369 13.2120 13.3465 k = 0.1017 0.1019 0.5040 ( 2892 PWs) bands (ev): -9.2769 -9.2736 -9.2629 -9.2601 -8.5662 -8.5599 -8.1805 -8.1682 -7.8333 -7.8310 -6.6956 -6.6909 -6.6715 -6.6599 -6.6176 -6.6107 0.9686 0.9687 3.9939 3.9943 4.9539 4.9898 5.6614 5.6709 5.8976 5.9242 6.2066 6.2386 7.0416 7.0453 7.1642 7.1679 7.4383 7.4445 7.7038 7.7312 10.3352 10.3389 11.8381 11.8494 12.4540 12.5549 13.1981 13.3245 k = 0.0925 0.0926 0.5040 ( 2888 PWs) bands (ev): -9.2753 -9.2725 -9.2621 -9.2596 -8.5809 -8.5748 -8.1873 -8.1758 -7.8363 -7.8339 -6.6968 -6.6920 -6.6726 -6.6621 -6.6175 -6.6111 0.9761 0.9762 3.9924 3.9927 5.0028 5.0375 5.6096 5.6199 5.9576 5.9871 6.2191 6.2533 7.0072 7.0112 7.2450 7.2506 7.4770 7.4848 7.7458 7.7705 10.2872 10.2898 11.7702 11.7804 12.4733 12.5717 13.1881 13.3053 k = 0.0832 0.0833 0.5040 ( 2888 PWs) bands (ev): -9.2739 -9.2714 -9.2614 -9.2591 -8.5944 -8.5887 -8.1934 -8.1829 -7.8391 -7.8367 -6.6979 -6.6932 -6.6733 -6.6641 -6.6173 -6.6115 0.9836 0.9837 3.9910 3.9913 5.0489 5.0826 5.5612 5.5725 6.0129 6.0459 6.2284 6.2655 6.9740 6.9780 7.3217 7.3299 7.5158 7.5256 7.7839 7.8061 10.2396 10.2412 11.7064 11.7157 12.4923 12.5859 13.1817 13.2888 k = 0.0740 0.0741 0.5040 ( 2880 PWs) bands (ev): -9.2725 -9.2703 -9.2606 -9.2587 -8.6065 -8.6013 -8.1989 -8.1894 -7.8416 -7.8392 -6.6988 -6.6943 -6.6739 -6.6658 -6.6170 -6.6118 0.9909 0.9910 3.9898 3.9900 5.0917 5.1243 5.5171 5.5295 6.0625 6.0999 6.2354 6.2761 6.9423 6.9463 7.3934 7.4045 7.5538 7.5662 7.8181 7.8377 10.1928 10.1936 11.6477 11.6562 12.5102 12.5970 13.1789 13.2747 k = 0.0647 0.0648 0.5040 ( 2880 PWs) bands (ev): -9.2712 -9.2694 -9.2600 -9.2584 -8.6173 -8.6126 -8.2037 -8.1952 -7.8438 -7.8415 -6.6997 -6.6954 -6.6743 -6.6674 -6.6166 -6.6121 0.9978 0.9979 3.9886 3.9889 5.1304 5.1619 5.4779 5.4914 6.1058 6.1485 6.2405 6.2858 6.9127 6.9165 7.4591 7.4734 7.5905 7.6057 7.8484 7.8655 10.1476 10.1478 11.5949 11.6026 12.5264 12.6048 13.1790 13.2629 k = 0.0555 0.0556 0.5040 ( 2888 PWs) bands (ev): -9.2701 -9.2685 -9.2595 -9.2581 -8.6268 -8.6225 -8.2078 -8.2004 -7.8457 -7.8436 -6.7004 -6.6964 -6.6746 -6.6687 -6.6162 -6.6123 1.0043 1.0044 3.9876 3.9878 5.1643 5.1944 5.4447 5.4591 6.1421 6.1905 6.2450 6.2955 6.8855 6.8891 7.5176 7.5350 7.6256 7.6436 7.8747 7.8894 10.1047 10.1049 11.5485 11.5553 12.5409 12.6094 13.1815 13.2530 k = 0.0462 0.0463 0.5040 ( 2892 PWs) bands (ev): -9.2691 -9.2678 -9.2590 -9.2578 -8.6347 -8.6311 -8.2111 -8.2050 -7.8472 -7.8454 -6.7009 -6.6975 -6.6747 -6.6699 -6.6158 -6.6125 1.0100 1.0101 3.9867 3.9869 5.1926 5.2207 5.4182 5.4332 6.1711 6.2221 6.2528 6.3054 6.8614 6.8646 7.5677 7.5870 7.6594 7.6793 7.8971 7.9095 10.0653 10.0657 11.5090 11.5148 12.5534 12.6114 13.1857 13.2447 k = 0.0370 0.0370 0.5040 ( 2888 PWs) bands (ev): -9.2682 -9.2672 -9.2585 -9.2576 -8.6412 -8.6383 -8.2138 -8.2088 -7.8485 -7.8470 -6.7012 -6.6984 -6.6747 -6.6709 -6.6153 -6.6127 1.0149 1.0150 3.9860 3.9862 5.2146 5.2396 5.3996 5.4139 6.1929 6.2352 6.2719 6.3154 6.8408 6.8435 7.6087 7.6274 7.6924 7.7115 7.9156 7.9256 10.0308 10.0313 11.4765 11.4813 12.5643 12.6110 13.1909 13.2375 k = 0.0277 0.0278 0.5040 ( 2884 PWs) bands (ev): -9.2675 -9.2667 -9.2582 -9.2575 -8.6462 -8.6440 -8.2158 -8.2120 -7.8494 -7.8483 -6.7014 -6.6992 -6.6746 -6.6718 -6.6149 -6.6130 1.0189 1.0189 3.9855 3.9856 5.2301 5.2503 5.3891 5.4012 6.2085 6.2377 6.2946 6.3246 6.8243 6.8264 7.6403 7.6557 7.7233 7.7389 7.9303 7.9378 10.0023 10.0028 11.4513 11.4550 12.5738 12.6089 13.1967 13.2312 k = 0.0185 0.0185 0.5040 ( 2888 PWs) bands (ev): -9.2669 -9.2664 -9.2579 -9.2574 -8.6497 -8.6482 -8.2170 -8.2144 -7.8501 -7.8493 -6.7014 -6.6999 -6.6744 -6.6726 -6.6145 -6.6132 1.0218 1.0218 3.9851 3.9851 5.2401 5.2540 5.3855 5.3939 6.2194 6.2373 6.3130 6.3314 6.8122 6.8137 7.6631 7.6736 7.7489 7.7595 7.9411 7.9462 9.9811 9.9814 11.4334 11.4359 12.5820 12.6055 13.2026 13.2254 k = 0.0092 0.0093 0.5040 ( 2888 PWs) bands (ev): -9.2665 -9.2663 -9.2577 -9.2575 -8.6517 -8.6509 -8.2174 -8.2162 -7.8503 -7.8499 -6.7013 -6.7005 -6.6741 -6.6732 -6.6141 -6.6135 1.0236 1.0236 3.9848 3.9849 5.2463 5.2533 5.3858 5.3900 6.2268 6.2353 6.3258 6.3345 6.8050 6.8058 7.6775 7.6827 7.7663 7.7717 7.9481 7.9507 9.9679 9.9681 11.4229 11.4242 12.5892 12.6009 13.2084 13.2198 k = 0.0000 0.0000 0.5040 ( 2890 PWs) bands (ev): -9.2663 -9.2663 -9.2575 -9.2575 -8.6520 -8.6520 -8.2172 -8.2172 -7.8503 -7.8503 -6.7010 -6.7010 -6.6737 -6.6737 -6.6138 -6.6138 1.0242 1.0242 3.9848 3.9848 5.2504 5.2504 5.3876 5.3876 6.2319 6.2319 6.3329 6.3329 6.8028 6.8028 7.6840 7.6840 7.7741 7.7741 7.9513 7.9513 9.9636 9.9636 11.4199 11.4199 12.5955 12.5955 13.2142 13.2142 k = 0.0000 0.0000 0.5040 ( 2890 PWs) bands (ev): -9.2663 -9.2663 -9.2575 -9.2575 -8.6520 -8.6520 -8.2172 -8.2172 -7.8503 -7.8503 -6.7010 -6.7010 -6.6737 -6.6737 -6.6138 -6.6138 1.0242 1.0242 3.9848 3.9848 5.2504 5.2504 5.3876 5.3876 6.2319 6.2319 6.3329 6.3329 6.8028 6.8028 7.6840 7.6840 7.7741 7.7741 7.9513 7.9513 9.9636 9.9636 11.4199 11.4199 12.5955 12.5955 13.2142 13.2142 k = 0.0000 0.0000 0.4908 ( 2882 PWs) bands (ev): -9.2665 -9.2662 -9.2581 -9.2571 -8.6528 -8.6522 -8.2182 -8.2162 -7.8514 -7.8512 -6.7017 -6.7001 -6.6740 -6.6734 -6.6139 -6.6137 1.0251 1.0252 3.9887 3.9892 5.2493 5.2516 5.3877 5.3879 6.2325 6.2332 6.3334 6.3338 6.8031 6.8033 7.6838 7.6839 7.7740 7.7740 7.9418 7.9492 9.9701 9.9718 11.4191 11.4201 12.5917 12.6015 13.2126 13.2128 k = 0.0000 0.0000 0.4775 ( 2880 PWs) bands (ev): -9.2669 -9.2661 -9.2587 -9.2567 -8.6544 -8.6533 -8.2193 -8.2154 -7.8546 -7.8542 -6.7022 -6.6989 -6.6742 -6.6730 -6.6141 -6.6138 1.0279 1.0282 4.0010 4.0021 5.2482 5.2528 5.3884 5.3887 6.2349 6.2364 6.3354 6.3360 6.8043 6.8047 7.6832 7.6836 7.7737 7.7738 7.9211 7.9355 9.9912 9.9944 11.4179 11.4199 12.5902 12.6098 13.2081 13.2084 k = 0.0000 0.0000 0.4642 ( 2884 PWs) bands (ev): -9.2673 -9.2662 -9.2593 -9.2565 -8.6569 -8.6553 -8.2204 -8.2146 -7.8597 -7.8592 -6.7024 -6.6976 -6.6743 -6.6726 -6.6144 -6.6139 1.0326 1.0332 4.0216 4.0232 5.2472 5.2540 5.3895 5.3901 6.2392 6.2414 6.3387 6.3396 6.8062 6.8068 7.6823 7.6829 7.7733 7.7734 7.8900 7.9109 10.0263 10.0304 11.4161 11.4193 12.5906 12.6204 13.2005 13.2010 k = 0.0000 0.0000 0.4510 ( 2884 PWs) bands (ev): -9.2678 -9.2663 -9.2601 -9.2563 -8.6603 -8.6582 -8.2216 -8.2140 -7.8668 -7.8661 -6.7025 -6.6961 -6.6744 -6.6721 -6.6149 -6.6142 1.0392 1.0400 4.0501 4.0525 5.2463 5.2551 5.3911 5.3918 6.2454 6.2483 6.3434 6.3447 6.8089 6.8097 7.6810 7.6820 7.7728 7.7729 7.8498 7.8766 10.0741 10.0786 11.4140 11.4182 12.5927 12.6330 13.1896 13.1903 k = 0.0000 0.0000 0.4377 ( 2878 PWs) bands (ev): -9.2684 -9.2665 -9.2609 -9.2562 -8.6645 -8.6620 -8.2228 -8.2134 -7.8758 -7.8749 -6.7023 -6.6944 -6.6744 -6.6716 -6.6154 -6.6145 1.0478 1.0487 4.0864 4.0897 5.2455 5.2560 5.3931 5.3940 6.2535 6.2570 6.3497 6.3512 6.8125 6.8134 7.6793 7.6808 7.7721 7.7722 7.8023 7.8340 10.1335 10.1375 11.4114 11.4168 12.5962 12.6476 13.1752 13.1761 k = 0.0000 0.0000 0.4244 ( 2878 PWs) bands (ev): -9.2690 -9.2669 -9.2618 -9.2563 -8.6697 -8.6667 -8.2241 -8.2129 -7.8865 -7.8854 -6.7019 -6.6925 -6.6744 -6.6710 -6.6159 -6.6149 1.0583 1.0594 4.1301 4.1344 5.2450 5.2568 5.3954 5.3965 6.2636 6.2677 6.3574 6.3593 6.8167 6.8179 7.6767 7.6793 7.7490 7.7709 7.7716 7.7850 10.2028 10.2055 11.4084 11.4151 12.6004 12.6636 13.1570 13.1581 k = 0.0000 0.0000 0.4112 ( 2870 PWs) bands (ev): -9.2698 -9.2673 -9.2627 -9.2564 -8.6757 -8.6724 -8.2254 -8.2126 -7.8988 -7.8975 -6.7013 -6.6905 -6.6743 -6.6704 -6.6166 -6.6154 1.0706 1.0719 4.1806 4.1864 5.2447 5.2574 5.3980 5.3994 6.2756 6.2803 6.3667 6.3689 6.8217 6.8231 7.6687 7.6775 7.6964 7.7295 7.7707 7.7708 10.2805 10.2813 11.4052 11.4132 12.6049 12.6807 13.1346 13.1360 k = 0.0000 0.0000 0.3979 ( 2874 PWs) bands (ev): -9.2706 -9.2678 -9.2637 -9.2566 -8.6826 -8.6789 -8.2267 -8.2123 -7.9125 -7.9110 -6.7005 -6.6884 -6.6742 -6.6697 -6.6173 -6.6159 1.0848 1.0863 4.2376 4.2451 5.2447 5.2576 5.4008 5.4025 6.2896 6.2947 6.3777 6.3801 6.8274 6.8290 7.6223 7.6672 7.6786 7.6790 7.7698 7.7699 10.3634 10.3654 11.4017 11.4112 12.6089 12.6980 13.1079 13.1095 k = 0.0000 0.0000 0.3847 ( 2878 PWs) bands (ev): -9.2715 -9.2684 -9.2648 -9.2569 -8.6903 -8.6863 -8.2280 -8.2122 -7.9276 -7.9259 -6.6995 -6.6861 -6.6739 -6.6690 -6.6181 -6.6166 1.1008 1.1025 4.3002 4.3100 5.2452 5.2576 5.4038 5.4058 6.3056 6.3111 6.3903 6.3930 6.8338 6.8356 7.5595 7.6077 7.6749 7.6749 7.7689 7.7690 10.4506 10.4560 11.3980 11.4094 12.6113 12.7148 13.0767 13.0784 k = 0.0000 0.0000 0.3714 ( 2874 PWs) bands (ev): -9.2724 -9.2691 -9.2658 -9.2574 -8.6989 -8.6946 -8.2293 -8.2122 -7.9437 -7.9418 -6.6982 -6.6838 -6.6736 -6.6683 -6.6189 -6.6172 1.1185 1.1205 4.3676 4.3804 5.2464 5.2572 5.4070 5.4094 6.3236 6.3295 6.4046 6.4076 6.8408 6.8428 7.4945 7.5443 7.6724 7.6728 7.7680 7.7682 10.5418 10.5511 11.3943 11.4078 12.6112 12.7296 13.0407 13.0423 k = 0.0000 0.0000 0.3581 ( 2870 PWs) bands (ev): -9.2734 -9.2698 -9.2669 -9.2579 -8.7083 -8.7038 -8.2306 -8.2123 -7.9608 -7.9587 -6.6968 -6.6814 -6.6732 -6.6675 -6.6197 -6.6179 1.1380 1.1401 4.4389 4.4557 5.2485 5.2564 5.4104 5.4131 6.3436 6.3497 6.4207 6.4240 6.8484 6.8505 7.4292 7.4802 7.6701 7.6709 7.7672 7.7674 10.6358 10.6495 11.3907 11.4069 12.6072 12.7409 13.0001 13.0012 k = 0.0000 0.0000 0.3449 ( 2866 PWs) bands (ev): -9.2744 -9.2706 -9.2681 -9.2585 -8.7185 -8.7139 -8.2319 -8.2124 -7.9786 -7.9763 -6.6953 -6.6791 -6.6727 -6.6667 -6.6206 -6.6187 1.1591 1.1614 4.5128 4.5349 5.2518 5.2551 5.4140 5.4170 6.3655 6.3717 6.4385 6.4421 6.8566 6.8589 7.3649 7.4165 7.6679 7.6691 7.7665 7.7668 10.7316 10.7498 11.3873 11.4070 12.5980 12.7464 12.9549 12.9552 k = 0.0000 0.0000 0.3316 ( 2866 PWs) bands (ev): -9.2755 -9.2715 -9.2693 -9.2592 -8.7295 -8.7248 -8.2332 -8.2127 -7.9969 -7.9944 -6.6936 -6.6769 -6.6718 -6.6658 -6.6215 -6.6195 1.1818 1.1843 4.5878 4.6171 5.2534 5.2569 5.4179 5.4211 6.3893 6.3956 6.4581 6.4619 6.8652 6.8677 7.3025 7.3542 7.6660 7.6675 7.7659 7.7663 10.8280 10.8506 11.3843 11.4089 12.5824 12.7434 12.9035 12.9069 k = 0.0000 0.0000 0.3183 ( 2866 PWs) bands (ev): -9.2766 -9.2725 -9.2705 -9.2600 -8.7412 -8.7365 -8.2344 -8.2131 -8.0155 -8.0129 -6.6917 -6.6750 -6.6706 -6.6649 -6.6225 -6.6203 1.2059 1.2086 4.6620 4.7010 5.2512 5.2643 5.4223 5.4256 6.4149 6.4211 6.4794 6.4835 6.8743 6.8769 7.2431 7.2943 7.6642 7.6660 7.7656 7.7659 10.9238 10.9497 11.3823 11.4139 12.5593 12.7287 12.8473 12.8567 k = 0.0000 0.0000 0.3051 ( 2868 PWs) bands (ev): -9.2776 -9.2735 -9.2717 -9.2609 -8.7536 -8.7489 -8.2355 -8.2136 -8.0343 -8.0315 -6.6898 -6.6738 -6.6688 -6.6640 -6.6234 -6.6211 1.2314 1.2343 4.7332 4.7853 5.2486 5.2747 5.4278 5.4306 6.4422 6.4483 6.5023 6.5067 6.8837 6.8865 7.1879 7.2379 7.6627 7.6647 7.7655 7.7659 11.0171 11.0439 11.3819 11.4245 12.5281 12.6991 12.7864 12.8067 k = 0.0000 0.0000 0.2918 ( 2878 PWs) bands (ev): -9.2788 -9.2745 -9.2730 -9.2619 -8.7667 -8.7620 -8.2366 -8.2142 -8.0531 -8.0501 -6.6878 -6.6728 -6.6665 -6.6630 -6.6243 -6.6219 1.2581 1.2612 4.7987 4.8684 5.2454 5.2885 5.4350 5.4363 6.4709 6.4770 6.5269 6.5315 6.8935 6.8964 7.1381 7.1862 7.6615 7.6638 7.7657 7.7661 11.1054 11.1280 11.3848 11.4451 12.4886 12.6537 12.7213 12.7583 k = 0.0000 0.0000 0.2785 ( 2874 PWs) bands (ev): -9.2798 -9.2756 -9.2742 -9.2629 -8.7803 -8.7757 -8.2377 -8.2149 -8.0717 -8.0685 -6.6857 -6.6721 -6.6641 -6.6620 -6.6252 -6.6226 1.2859 1.2892 4.8561 4.9483 5.2418 5.3056 5.4431 5.4453 6.5009 6.5070 6.5529 6.5577 6.9035 6.9065 7.0950 7.1404 7.6608 7.6633 7.7662 7.7667 11.1839 11.1948 11.3946 11.4820 12.4413 12.5952 12.6528 12.7102 k = 0.0000 0.0000 0.2653 ( 2874 PWs) bands (ev): -9.2809 -9.2767 -9.2755 -9.2640 -8.7944 -8.7900 -8.2387 -8.2157 -8.0899 -8.0865 -6.6836 -6.6714 -6.6616 -6.6609 -6.6261 -6.6234 1.3146 1.3181 4.9034 5.0231 5.2377 5.3241 5.4514 5.4606 6.5319 6.5381 6.5803 6.5853 6.9137 6.9168 7.0603 7.1021 7.6605 7.6632 7.7672 7.7677 11.2394 11.2439 11.4185 11.5392 12.3871 12.5279 12.5816 12.6611 k = 0.0000 0.0000 0.2520 ( 2878 PWs) bands (ev): -9.2819 -9.2779 -9.2767 -9.2652 -8.8090 -8.8048 -8.2396 -8.2166 -8.1076 -8.1041 -6.6815 -6.6708 -6.6598 -6.6591 -6.6270 -6.6242 1.3442 1.3478 4.9400 5.0903 5.2331 5.3411 5.4615 5.4827 6.5636 6.5701 6.6088 6.6139 6.9239 6.9273 7.0354 7.0728 7.6608 7.6636 7.7686 7.7691 11.2648 11.2787 11.4615 11.6120 12.3273 12.4550 12.5089 12.6114 k = 0.0000 0.0000 0.2388 ( 2878 PWs) bands (ev): -9.2830 -9.2791 -9.2780 -9.2664 -8.8238 -8.8199 -8.2405 -8.2175 -8.1246 -8.1212 -6.6793 -6.6702 -6.6586 -6.6567 -6.6279 -6.6249 1.3743 1.3780 4.9667 5.1481 5.2282 5.3541 5.4736 5.5113 6.5956 6.6028 6.6383 6.6435 6.9343 6.9377 7.0220 7.0542 7.6617 7.6646 7.7705 7.7711 11.2780 11.2939 11.5159 11.6914 12.2634 12.3786 12.4365 12.5634 k = 0.0000 0.0000 0.2255 ( 2878 PWs) bands (ev): -9.2839 -9.2802 -9.2792 -9.2676 -8.8389 -8.8352 -8.2413 -8.2185 -8.1410 -8.1375 -6.6773 -6.6696 -6.6574 -6.6543 -6.6287 -6.6256 1.4049 1.4087 4.9852 5.1949 5.2229 5.3628 5.4872 5.5430 6.6277 6.6358 6.6685 6.6736 6.9446 6.9483 7.0213 7.0479 7.6634 7.6663 7.7729 7.7735 11.2846 11.2992 11.5693 11.7684 12.1975 12.2998 12.3673 12.5204 k = 0.0000 0.0000 0.2122 ( 2878 PWs) bands (ev): -9.2848 -9.2814 -9.2804 -9.2689 -8.8540 -8.8506 -8.2420 -8.2196 -8.1565 -8.1530 -6.6753 -6.6689 -6.6561 -6.6521 -6.6295 -6.6263 1.4356 1.4395 4.9976 5.2159 5.2324 5.3682 5.5011 5.5733 6.6597 6.6689 6.6991 6.7042 6.9548 6.9588 7.0340 7.0551 7.6659 7.6687 7.7760 7.7766 11.2874 11.3002 11.6131 11.8333 12.1318 12.2199 12.3071 12.4859 k = 0.0000 0.0000 0.1990 ( 2877 PWs) bands (ev): -9.2857 -9.2825 -9.2816 -9.2703 -8.8691 -8.8660 -8.2427 -8.2207 -8.1711 -8.1677 -6.6734 -6.6683 -6.6547 -6.6499 -6.6303 -6.6269 1.4664 1.4703 5.0055 5.2099 5.2587 5.3712 5.5133 5.5983 6.6917 6.7018 6.7300 6.7350 6.9649 6.9691 7.0600 7.0761 7.6694 7.6718 7.7796 7.7802 11.2880 11.2989 11.6424 11.8714 12.0689 12.1397 12.2675 12.4636 k = 0.0000 0.0000 0.1857 ( 2885 PWs) bands (ev): -9.2865 -9.2837 -9.2828 -9.2716 -8.8841 -8.8813 -8.2434 -8.2220 -8.1847 -8.1815 -6.6717 -6.6677 -6.6532 -6.6480 -6.6311 -6.6275 1.4969 1.5008 5.0103 5.2031 5.2780 5.3728 5.5219 5.6158 6.7236 6.7343 6.7607 6.7657 6.9748 6.9792 7.0986 7.1105 7.6739 7.6758 7.7839 7.7845 11.2873 11.2964 11.6544 11.8682 12.0088 12.0600 12.2636 12.4557 k = 0.0000 0.0000 0.1724 ( 2885 PWs) bands (ev): -9.2872 -9.2848 -9.2839 -9.2730 -8.8987 -8.8962 -8.2441 -8.2233 -8.1972 -8.1942 -6.6701 -6.6671 -6.6516 -6.6461 -6.6318 -6.6280 1.5269 1.5308 5.0130 5.1956 5.2918 5.3734 5.5255 5.6248 6.7554 6.7661 6.7911 6.7961 6.9843 6.9890 7.1480 7.1570 7.6796 7.6807 7.7889 7.7894 11.2857 11.2932 11.6491 11.8289 11.9472 11.9817 12.2950 12.4622 k = 0.0000 0.0000 0.1592 ( 2893 PWs) bands (ev): -9.2878 -9.2859 -9.2850 -9.2744 -8.9129 -8.9107 -8.2449 -8.2250 -8.2086 -8.2058 -6.6687 -6.6666 -6.6499 -6.6445 -6.6324 -6.6284 1.5561 1.5600 5.0143 5.1875 5.3020 5.3735 5.5240 5.6256 6.7868 6.7970 6.8206 6.8258 6.9933 6.9983 7.2059 7.2134 7.6865 7.6866 7.7944 7.7949 11.2835 11.2896 11.6291 11.7724 11.8821 11.9054 12.3456 12.4809 k = 0.0000 0.0000 0.1459 ( 2897 PWs) bands (ev): -9.2884 -9.2869 -9.2861 -9.2757 -8.9266 -8.9246 -8.2459 -8.2273 -8.2186 -8.2158 -6.6675 -6.6660 -6.6482 -6.6431 -6.6331 -6.6288 1.5844 1.5882 5.0148 5.1788 5.3098 5.3732 5.5178 5.6193 6.8175 6.8268 6.8491 6.8546 7.0019 7.0071 7.2698 7.2770 7.6935 7.6949 7.8005 7.8009 11.2808 11.2855 11.5983 11.7105 11.8159 11.8321 12.4027 12.5083 k = 0.0000 0.0000 0.1326 ( 2901 PWs) bands (ev): -9.2888 -9.2879 -9.2870 -9.2771 -8.9395 -8.9379 -8.2476 -8.2321 -8.2268 -8.2224 -6.6664 -6.6655 -6.6465 -6.6418 -6.6336 -6.6291 1.6115 1.6151 5.0150 5.1693 5.3162 5.3728 5.5080 5.6071 6.8469 6.8550 6.8763 6.8821 7.0099 7.0153 7.3368 7.3449 7.7014 7.7050 7.8072 7.8074 11.2777 11.2810 11.5609 11.6482 11.7508 11.7623 12.4598 12.5407 k = 0.0000 0.0000 0.1194 ( 2901 PWs) bands (ev): -9.2892 -9.2888 -9.2879 -9.2784 -8.9516 -8.9502 -8.2505 -8.2394 -8.2327 -8.2254 -6.6655 -6.6649 -6.6447 -6.6408 -6.6342 -6.6294 1.6370 1.6404 5.0152 5.1592 5.3219 5.3725 5.4956 5.5907 6.8745 6.8814 6.9017 6.9079 7.0172 7.0229 7.4041 7.4141 7.7107 7.7171 7.8142 7.8142 11.2741 11.2760 11.5204 11.5881 11.6886 11.6969 12.5138 12.5752 k = 0.0000 0.0000 0.1061 ( 2909 PWs) bands (ev): -9.2896 -9.2895 -9.2887 -9.2797 -8.9628 -8.9616 -8.2548 -8.2470 -8.2362 -8.2273 -6.6647 -6.6645 -6.6430 -6.6399 -6.6347 -6.6296 1.6607 1.6639 5.0157 5.1483 5.3275 5.3723 5.4818 5.5712 6.9001 6.9057 6.9253 6.9318 7.0239 7.0298 7.4687 7.4816 7.7217 7.7316 7.8212 7.8215 11.2700 11.2704 11.4797 11.5319 11.6306 11.6366 12.5634 12.6095 k = 0.0000 0.0000 0.0928 ( 2913 PWs) bands (ev): -9.2903 -9.2899 -9.2893 -9.2809 -8.9729 -8.9720 -8.2598 -8.2540 -8.2378 -8.2287 -6.6640 -6.6640 -6.6413 -6.6393 -6.6351 -6.6297 1.6824 1.6853 5.0168 5.1367 5.3334 5.3724 5.4675 5.5500 6.9233 6.9277 6.9466 6.9536 7.0297 7.0359 7.5276 7.5439 7.7352 7.7492 7.8282 7.8288 11.2640 11.2652 11.4411 11.4806 11.5778 11.5821 12.6076 12.6420 k = 0.0000 0.0000 0.0796 ( 2917 PWs) bands (ev): -9.2910 -9.2905 -9.2895 -9.2821 -8.9819 -8.9811 -8.2647 -8.2601 -8.2385 -8.2300 -6.6636 -6.6635 -6.6397 -6.6388 -6.6355 -6.6299 1.7018 1.7044 5.0186 5.1246 5.3399 5.3729 5.4535 5.5278 6.9437 6.9470 6.9657 6.9729 7.0347 7.0411 7.5778 7.5973 7.7526 7.7705 7.8350 7.8361 11.2567 11.2596 11.4063 11.4353 11.5311 11.5340 12.6463 12.6715 k = 0.0000 0.0000 0.0663 ( 2921 PWs) bands (ev): -9.2915 -9.2911 -9.2895 -9.2832 -8.9896 -8.9890 -8.2690 -8.2654 -8.2386 -8.2312 -6.6633 -6.6631 -6.6384 -6.6383 -6.6358 -6.6301 1.7187 1.7210 5.0215 5.1121 5.3473 5.3739 5.4404 5.5056 6.9612 6.9636 6.9823 6.9897 7.0389 7.0454 7.6176 7.6383 7.7750 7.7951 7.8414 7.8431 11.2485 11.2529 11.3766 11.3967 11.4911 11.4930 12.6791 12.6973 k = 0.0000 0.0000 0.0531 ( 2921 PWs) bands (ev): -9.2920 -9.2916 -9.2893 -9.2843 -8.9960 -8.9956 -8.2726 -8.2698 -8.2385 -8.2324 -6.6629 -6.6627 -6.6381 -6.6371 -6.6359 -6.6303 1.7329 1.7347 5.0254 5.0996 5.3558 5.3755 5.4286 5.4839 6.9757 6.9773 6.9964 7.0037 7.0422 7.0486 7.6471 7.6659 7.8014 7.8210 7.8472 7.8500 11.2396 11.2451 11.3526 11.3654 11.4585 11.4596 12.7060 12.7189 k = 0.0000 0.0000 0.0398 ( 2921 PWs) bands (ev): -9.2923 -9.2920 -9.2891 -9.2852 -9.0011 -9.0008 -8.2754 -8.2733 -8.2381 -8.2334 -6.6627 -6.6625 -6.6379 -6.6368 -6.6352 -6.6306 1.7441 1.7456 5.0306 5.0872 5.3654 5.3778 5.4184 5.4632 6.9870 6.9880 7.0080 7.0148 7.0446 7.0507 7.6678 7.6827 7.8267 7.8435 7.8538 7.8572 11.2311 11.2367 11.3344 11.3417 11.4335 11.4341 12.7271 12.7358 k = 0.0000 0.0000 0.0265 ( 2929 PWs) bands (ev): -9.2926 -9.2923 -9.2887 -9.2861 -9.0047 -9.0045 -8.2773 -8.2759 -8.2376 -8.2344 -6.6625 -6.6623 -6.6377 -6.6370 -6.6342 -6.6311 1.7524 1.7534 5.0371 5.0753 5.3758 5.3807 5.4102 5.4439 6.9951 6.9957 7.0169 7.0225 7.0466 7.0517 7.6820 7.6920 7.8441 7.8524 7.8668 7.8675 11.2241 11.2288 11.3216 11.3253 11.4161 11.4163 12.7424 12.7477 k = 0.0000 0.0000 0.0133 ( 2925 PWs) bands (ev): -9.2927 -9.2926 -9.2882 -9.2869 -9.0069 -9.0068 -8.2783 -8.2776 -8.2370 -8.2354 -6.6623 -6.6623 -6.6375 -6.6371 -6.6332 -6.6316 1.7575 1.7580 5.0449 5.0641 5.3842 5.3850 5.4063 5.4266 7.0000 7.0003 7.0232 7.0264 7.0484 7.0514 7.6909 7.6959 7.8519 7.8547 7.8772 7.8789 11.2200 11.2226 11.3141 11.3156 11.4058 11.4059 12.7520 12.7546 k = 0.0000 0.0000 0.0000 ( 2929 PWs) bands (ev): -9.2927 -9.2927 -9.2876 -9.2876 -9.0076 -9.0076 -8.2784 -8.2784 -8.2362 -8.2362 -6.6623 -6.6623 -6.6373 -6.6373 -6.6323 -6.6323 1.7593 1.7593 5.0540 5.0540 5.3872 5.3872 5.4125 5.4125 7.0017 7.0017 7.0265 7.0265 7.0502 7.0502 7.6955 7.6955 7.8547 7.8547 7.8822 7.8822 11.2195 11.2195 11.3120 11.3120 11.4025 11.4025 12.7560 12.7560 k = 0.0000 0.0000 0.0000 ( 2929 PWs) bands (ev): -9.2927 -9.2927 -9.2876 -9.2876 -9.0076 -9.0076 -8.2784 -8.2784 -8.2362 -8.2362 -6.6623 -6.6623 -6.6373 -6.6373 -6.6323 -6.6323 1.7593 1.7593 5.0540 5.0540 5.3872 5.3872 5.4125 5.4125 7.0017 7.0017 7.0265 7.0265 7.0502 7.0502 7.6955 7.6955 7.8547 7.8547 7.8822 7.8822 11.2195 11.2195 11.3120 11.3120 11.4025 11.4025 12.7560 12.7560 k =-0.0093 0.0092 0.0000 ( 2929 PWs) bands (ev): -9.2926 -9.2926 -9.2875 -9.2875 -9.0070 -9.0070 -8.2783 -8.2783 -8.2358 -8.2358 -6.6623 -6.6623 -6.6374 -6.6374 -6.6323 -6.6323 1.7577 1.7577 5.0548 5.0548 5.3880 5.3880 5.4130 5.4130 6.9995 6.9995 7.0265 7.0265 7.0489 7.0489 7.6931 7.6931 7.8516 7.8516 7.8805 7.8805 11.2220 11.2220 11.3146 11.3146 11.4049 11.4049 12.7533 12.7533 k =-0.0185 0.0185 0.0000 ( 2925 PWs) bands (ev): -9.2925 -9.2925 -9.2873 -9.2873 -9.0050 -9.0050 -8.2778 -8.2778 -8.2348 -8.2348 -6.6624 -6.6624 -6.6376 -6.6376 -6.6323 -6.6323 1.7527 1.7527 5.0573 5.0573 5.3903 5.3903 5.4146 5.4146 6.9929 6.9929 7.0266 7.0266 7.0450 7.0450 7.6859 7.6859 7.8423 7.8423 7.8757 7.8757 11.2296 11.2296 11.3226 11.3226 11.4123 11.4123 12.7450 12.7450 k =-0.0278 0.0277 0.0000 ( 2921 PWs) bands (ev): -9.2923 -9.2923 -9.2870 -9.2870 -9.0018 -9.0018 -8.2771 -8.2771 -8.2330 -8.2330 -6.6626 -6.6626 -6.6379 -6.6379 -6.6324 -6.6324 1.7444 1.7444 5.0613 5.0613 5.3935 5.3935 5.4179 5.4179 6.9818 6.9818 7.0261 7.0261 7.0394 7.0394 7.6738 7.6738 7.8265 7.8265 7.8686 7.8686 11.2418 11.2418 11.3359 11.3359 11.4246 11.4246 12.7314 12.7314 k =-0.0370 0.0370 0.0000 ( 2921 PWs) bands (ev): -9.2921 -9.2921 -9.2865 -9.2865 -8.9973 -8.9973 -8.2761 -8.2761 -8.2304 -8.2304 -6.6628 -6.6628 -6.6384 -6.6384 -6.6324 -6.6324 1.7331 1.7331 5.0667 5.0667 5.3970 5.3970 5.4235 5.4235 6.9663 6.9663 7.0219 7.0219 7.0352 7.0352 7.6566 7.6566 7.8043 7.8043 7.8597 7.8597 11.2581 11.2581 11.3546 11.3546 11.4419 11.4419 12.7126 12.7126 k =-0.0463 0.0462 0.0000 ( 2925 PWs) bands (ev): -9.2919 -9.2919 -9.2860 -9.2860 -8.9916 -8.9916 -8.2748 -8.2748 -8.2272 -8.2272 -6.6631 -6.6631 -6.6390 -6.6390 -6.6323 -6.6323 1.7187 1.7187 5.0731 5.0731 5.4000 5.4000 5.4319 5.4319 6.9464 6.9464 7.0115 7.0115 7.0350 7.0350 7.6343 7.6343 7.7763 7.7763 7.8493 7.8493 11.2779 11.2779 11.3785 11.3785 11.4643 11.4643 12.6890 12.6890 k =-0.0556 0.0555 0.0000 ( 2921 PWs) bands (ev): -9.2916 -9.2916 -9.2852 -9.2852 -8.9846 -8.9846 -8.2733 -8.2732 -8.2232 -8.2232 -6.6635 -6.6635 -6.6397 -6.6397 -6.6323 -6.6323 1.7015 1.7015 5.0802 5.0802 5.4025 5.4025 5.4432 5.4432 6.9225 6.9225 6.9972 6.9972 7.0368 7.0368 7.6067 7.6067 7.7433 7.7433 7.8378 7.8378 11.3006 11.3006 11.4074 11.4074 11.4918 11.4918 12.6609 12.6609 k =-0.0648 0.0647 0.0000 ( 2911 PWs) bands (ev): -9.2913 -9.2913 -9.2844 -9.2844 -8.9764 -8.9764 -8.2714 -8.2714 -8.2185 -8.2185 -6.6640 -6.6640 -6.6405 -6.6405 -6.6322 -6.6322 1.6816 1.6816 5.0877 5.0877 5.4045 5.4045 5.4570 5.4570 6.8945 6.8945 6.9800 6.9800 7.0393 7.0393 7.5736 7.5736 7.7066 7.7066 7.8253 7.8253 11.3259 11.3259 11.4406 11.4406 11.5246 11.5246 12.6289 12.6289 k =-0.0741 0.0740 0.0000 ( 2903 PWs) bands (ev): -9.2909 -9.2909 -9.2834 -9.2834 -8.9670 -8.9670 -8.2692 -8.2692 -8.2131 -8.2131 -6.6645 -6.6645 -6.6414 -6.6414 -6.6321 -6.6321 1.6594 1.6594 5.0954 5.0954 5.4062 5.4062 5.4727 5.4727 6.8628 6.8628 6.9604 6.9604 7.0424 7.0424 7.5350 7.5350 7.6673 7.6673 7.8121 7.8121 11.3533 11.3533 11.4775 11.4775 11.5625 11.5625 12.5936 12.5936 k =-0.0833 0.0832 0.0000 ( 2903 PWs) bands (ev): -9.2906 -9.2906 -9.2823 -9.2823 -8.9565 -8.9565 -8.2667 -8.2667 -8.2070 -8.2070 -6.6651 -6.6651 -6.6424 -6.6424 -6.6320 -6.6320 1.6350 1.6350 5.1029 5.1029 5.4078 5.4078 5.4899 5.4899 6.8273 6.8273 6.9386 6.9386 7.0459 7.0459 7.4907 7.4907 7.6270 7.6270 7.7981 7.7981 11.3825 11.3825 11.5173 11.5173 11.6052 11.6052 12.5560 12.5560 k =-0.0926 0.0925 0.0000 ( 2903 PWs) bands (ev): -9.2904 -9.2904 -9.2811 -9.2811 -8.9449 -8.9449 -8.2638 -8.2638 -8.2002 -8.2002 -6.6658 -6.6658 -6.6435 -6.6435 -6.6318 -6.6318 1.6087 1.6087 5.1099 5.1099 5.4094 5.4094 5.5078 5.5078 6.7882 6.7882 6.9149 6.9149 7.0493 7.0493 7.4412 7.4412 7.5871 7.5871 7.7835 7.7835 11.4131 11.4131 11.5596 11.5596 11.6517 11.6517 12.5172 12.5172 k =-0.1019 0.1017 0.0000 ( 2903 PWs) bands (ev): -9.2901 -9.2901 -9.2799 -9.2799 -8.9322 -8.9322 -8.2606 -8.2606 -8.1927 -8.1927 -6.6666 -6.6666 -6.6446 -6.6446 -6.6316 -6.6316 1.5807 1.5807 5.1164 5.1164 5.4109 5.4109 5.5260 5.5260 6.7457 6.7457 6.8893 6.8893 7.0524 7.0524 7.3873 7.3873 7.5487 7.5487 7.7684 7.7684 11.4447 11.4447 11.6040 11.6040 11.7007 11.7007 12.4789 12.4789 k =-0.1111 0.1110 0.0000 ( 2907 PWs) bands (ev): -9.2899 -9.2899 -9.2786 -9.2786 -8.9185 -8.9185 -8.2571 -8.2571 -8.1845 -8.1845 -6.6675 -6.6675 -6.6457 -6.6457 -6.6313 -6.6313 1.5512 1.5512 5.1220 5.1220 5.4124 5.4124 5.5436 5.5436 6.6998 6.6998 6.8621 6.8621 7.0541 7.0541 7.3305 7.3305 7.5127 7.5127 7.7528 7.7528 11.4765 11.4765 11.6502 11.6502 11.7505 11.7505 12.4434 12.4434 k =-0.1204 0.1202 0.0000 ( 2903 PWs) bands (ev): -9.2896 -9.2896 -9.2773 -9.2773 -8.9039 -8.9039 -8.2531 -8.2531 -8.1758 -8.1758 -6.6685 -6.6685 -6.6468 -6.6468 -6.6310 -6.6310 1.5206 1.5206 5.1265 5.1265 5.4140 5.4140 5.5600 5.5600 6.6505 6.6505 6.8335 6.8335 7.0522 7.0522 7.2741 7.2741 7.4798 7.4798 7.7368 7.7368 11.5076 11.5076 11.6981 11.6981 11.7986 11.7986 12.4139 12.4139 k =-0.1296 0.1295 0.0000 ( 2903 PWs) bands (ev): -9.2895 -9.2895 -9.2759 -9.2759 -8.8884 -8.8884 -8.2487 -8.2487 -8.1664 -8.1664 -6.6695 -6.6695 -6.6479 -6.6479 -6.6307 -6.6307 1.4890 1.4890 5.1298 5.1298 5.4156 5.4156 5.5745 5.5745 6.5979 6.5979 6.8036 6.8036 7.0418 7.0418 7.2237 7.2237 7.4506 7.4506 7.7204 7.7204 11.5361 11.5361 11.7470 11.7470 11.8427 11.8427 12.3945 12.3945 k =-0.1389 0.1387 0.0000 ( 2901 PWs) bands (ev): -9.2893 -9.2893 -9.2746 -9.2746 -8.8721 -8.8721 -8.2438 -8.2438 -8.1564 -8.1564 -6.6706 -6.6706 -6.6490 -6.6490 -6.6303 -6.6303 1.4566 1.4566 5.1316 5.1316 5.4174 5.4174 5.5864 5.5864 6.5422 6.5422 6.7726 6.7726 7.0148 7.0148 7.1884 7.1884 7.4255 7.4255 7.7037 7.7037 11.5597 11.5597 11.7959 11.7959 11.8815 11.8815 12.3896 12.3896 k =-0.1481 0.1480 0.0000 ( 2901 PWs) bands (ev): -9.2893 -9.2893 -9.2732 -9.2732 -8.8551 -8.8551 -8.2384 -8.2384 -8.1458 -8.1458 -6.6717 -6.6717 -6.6500 -6.6500 -6.6299 -6.6299 1.4236 1.4236 5.1318 5.1318 5.4194 5.4194 5.5952 5.5952 6.4834 6.4834 6.7407 6.7407 6.9676 6.9676 7.1727 7.1727 7.4049 7.4049 7.6868 7.6868 11.5750 11.5750 11.8428 11.8428 11.9169 11.9169 12.4023 12.4024 k =-0.1574 0.1572 0.0000 ( 2901 PWs) bands (ev): -9.2893 -9.2893 -9.2719 -9.2719 -8.8375 -8.8375 -8.2325 -8.2325 -8.1347 -8.1347 -6.6729 -6.6729 -6.6510 -6.6510 -6.6294 -6.6294 1.3902 1.3902 5.1300 5.1300 5.4217 5.4217 5.6005 5.6005 6.4219 6.4219 6.7080 6.7080 6.9061 6.9061 7.1711 7.1712 7.3889 7.3889 7.6697 7.6697 11.5781 11.5781 11.8845 11.8845 11.9553 11.9553 12.4328 12.4328 k =-0.1667 0.1665 0.0000 ( 2903 PWs) bands (ev): -9.2893 -9.2893 -9.2706 -9.2706 -8.8193 -8.8193 -8.2260 -8.2259 -8.1231 -8.1231 -6.6741 -6.6741 -6.6519 -6.6519 -6.6289 -6.6289 1.3567 1.3567 5.1260 5.1260 5.4243 5.4243 5.6020 5.6020 6.3579 6.3579 6.6747 6.6747 6.8376 6.8376 7.1774 7.1774 7.3775 7.3775 7.6525 7.6525 11.5667 11.5667 11.9210 11.9210 12.0018 12.0018 12.4779 12.4779 k =-0.1759 0.1757 0.0000 ( 2909 PWs) bands (ev): -9.2895 -9.2895 -9.2694 -9.2694 -8.8007 -8.8007 -8.2188 -8.2188 -8.1110 -8.1110 -6.6752 -6.6752 -6.6528 -6.6528 -6.6284 -6.6284 1.3231 1.3231 5.1196 5.1196 5.4272 5.4272 5.5994 5.5994 6.2918 6.2918 6.6410 6.6410 6.7659 6.7659 7.1881 7.1881 7.3704 7.3704 7.6352 7.6352 11.5410 11.5410 11.9570 11.9570 12.0550 12.0550 12.5336 12.5336 k =-0.1852 0.1850 0.0000 ( 2909 PWs) bands (ev): -9.2897 -9.2897 -9.2682 -9.2682 -8.7819 -8.7819 -8.2110 -8.2110 -8.0985 -8.0985 -6.6764 -6.6764 -6.6537 -6.6537 -6.6277 -6.6277 1.2895 1.2895 5.1104 5.1104 5.4303 5.4303 5.5929 5.5929 6.2242 6.2242 6.6069 6.6069 6.6933 6.6933 7.2019 7.2019 7.3670 7.3670 7.6179 7.6179 11.5040 11.5040 11.9961 11.9961 12.1120 12.1120 12.5956 12.5956 k =-0.1944 0.1942 0.0000 ( 2907 PWs) bands (ev): -9.2901 -9.2901 -9.2671 -9.2671 -8.7628 -8.7628 -8.2025 -8.2025 -8.0856 -8.0856 -6.6775 -6.6775 -6.6546 -6.6546 -6.6270 -6.6270 1.2562 1.2562 5.0983 5.0983 5.4335 5.4335 5.5826 5.5826 6.1557 6.1557 6.5726 6.5726 6.6208 6.6208 7.2178 7.2178 7.3667 7.3667 7.6007 7.6007 11.4593 11.4593 12.0386 12.0386 12.1712 12.1712 12.6604 12.6604 k =-0.2037 0.2035 0.0000 ( 2913 PWs) bands (ev): -9.2905 -9.2905 -9.2660 -9.2660 -8.7437 -8.7437 -8.1932 -8.1932 -8.0723 -8.0722 -6.6786 -6.6786 -6.6554 -6.6554 -6.6262 -6.6262 1.2232 1.2232 5.0830 5.0830 5.4361 5.4361 5.5690 5.5690 6.0870 6.0870 6.5381 6.5381 6.5498 6.5498 7.2356 7.2356 7.3687 7.3687 7.5835 7.5835 11.4102 11.4102 12.0841 12.0841 12.2318 12.2318 12.7246 12.7246 k =-0.2130 0.2127 0.0000 ( 2903 PWs) bands (ev): -9.2911 -9.2911 -9.2650 -9.2650 -8.7246 -8.7246 -8.1831 -8.1831 -8.0586 -8.0586 -6.6795 -6.6795 -6.6561 -6.6561 -6.6253 -6.6253 1.1907 1.1907 5.0644 5.0644 5.4371 5.4371 5.5533 5.5533 6.0190 6.0190 6.4798 6.4798 6.5044 6.5044 7.2551 7.2551 7.3718 7.3718 7.5666 7.5666 11.3592 11.3592 12.1317 12.1317 12.2933 12.2933 12.7846 12.7846 k =-0.2222 0.2220 0.0000 ( 2903 PWs) bands (ev): -9.2918 -9.2918 -9.2641 -9.2641 -8.7057 -8.7057 -8.1722 -8.1722 -8.0447 -8.0446 -6.6805 -6.6805 -6.6569 -6.6569 -6.6244 -6.6244 1.1587 1.1587 5.0423 5.0423 5.4340 5.4340 5.5375 5.5375 5.9527 5.9527 6.4127 6.4127 6.4703 6.4703 7.2760 7.2760 7.3752 7.3752 7.5498 7.5498 11.3085 11.3085 12.1806 12.1806 12.3553 12.3553 12.8361 12.8361 k =-0.2315 0.2312 0.0000 ( 2899 PWs) bands (ev): -9.2926 -9.2926 -9.2633 -9.2633 -8.6871 -8.6871 -8.1605 -8.1605 -8.0305 -8.0304 -6.6813 -6.6813 -6.6576 -6.6576 -6.6233 -6.6233 1.1273 1.1273 5.0168 5.0168 5.4229 5.4229 5.5254 5.5254 5.8892 5.8892 6.3484 6.3484 6.4366 6.4366 7.2982 7.2982 7.3778 7.3778 7.5333 7.5333 11.2596 11.2597 12.2302 12.2302 12.4175 12.4175 12.8743 12.8743 k =-0.2407 0.2405 0.0000 ( 2899 PWs) bands (ev): -9.2935 -9.2935 -9.2625 -9.2625 -8.6689 -8.6689 -8.1478 -8.1478 -8.0161 -8.0160 -6.6821 -6.6821 -6.6583 -6.6583 -6.6221 -6.6221 1.0966 1.0966 4.9879 4.9879 5.4003 5.4003 5.5198 5.5198 5.8298 5.8298 6.2872 6.2872 6.4033 6.4033 7.3216 7.3216 7.3787 7.3787 7.5170 7.5170 11.2138 11.2138 12.2797 12.2797 12.4797 12.4797 12.8960 12.8960 k =-0.2500 0.2497 0.0000 ( 2899 PWs) bands (ev): -9.2945 -9.2945 -9.2618 -9.2618 -8.6512 -8.6512 -8.1343 -8.1343 -8.0015 -8.0015 -6.6828 -6.6828 -6.6590 -6.6590 -6.6208 -6.6208 1.0667 1.0667 4.9556 4.9556 5.3662 5.3662 5.5204 5.5204 5.7756 5.7756 6.2293 6.2293 6.3705 6.3705 7.3459 7.3459 7.3771 7.3771 7.5011 7.5011 11.1720 11.1720 12.3287 12.3287 12.5417 12.5417 12.9018 12.9018 k =-0.2593 0.2590 0.0000 ( 2895 PWs) bands (ev): -9.2957 -9.2957 -9.2612 -9.2612 -8.6341 -8.6341 -8.1199 -8.1199 -7.9868 -7.9868 -6.6835 -6.6835 -6.6597 -6.6597 -6.6194 -6.6194 1.0376 1.0376 4.9202 4.9202 5.3229 5.3229 5.5245 5.5245 5.7278 5.7278 6.1751 6.1751 6.3383 6.3383 7.3663 7.3663 7.3769 7.3770 7.4855 7.4855 11.1349 11.1349 12.3763 12.3763 12.6032 12.6032 12.8959 12.8959 k =-0.2685 0.2682 0.0000 ( 2891 PWs) bands (ev): -9.2970 -9.2970 -9.2606 -9.2606 -8.6177 -8.6177 -8.1046 -8.1046 -7.9720 -7.9720 -6.6840 -6.6840 -6.6604 -6.6604 -6.6179 -6.6179 1.0094 1.0094 4.8818 4.8818 5.2725 5.2725 5.5298 5.5298 5.6871 5.6871 6.1244 6.1244 6.3067 6.3067 7.3605 7.3605 7.3998 7.3998 7.4704 7.4704 11.1030 11.1030 12.4218 12.4218 12.6641 12.6641 12.8836 12.8836 k =-0.2778 0.2774 0.0000 ( 2890 PWs) bands (ev): -9.2985 -9.2985 -9.2601 -9.2601 -8.6020 -8.6020 -8.0885 -8.0885 -7.9572 -7.9572 -6.6845 -6.6845 -6.6610 -6.6610 -6.6162 -6.6162 0.9821 0.9821 4.8409 4.8409 5.2165 5.2165 5.5340 5.5340 5.6547 5.6547 6.0775 6.0775 6.2759 6.2759 7.3467 7.3467 7.4267 7.4267 7.4558 7.4558 11.0766 11.0766 12.4643 12.4643 12.7241 12.7241 12.8696 12.8696 k =-0.2870 0.2867 0.0000 ( 2886 PWs) bands (ev): -9.3001 -9.3001 -9.2597 -9.2597 -8.5872 -8.5872 -8.0717 -8.0717 -7.9425 -7.9425 -6.6850 -6.6850 -6.6617 -6.6617 -6.6145 -6.6145 0.9558 0.9558 4.7977 4.7977 5.1566 5.1566 5.5343 5.5343 5.6325 5.6325 6.0340 6.0340 6.2459 6.2459 7.3277 7.3277 7.4414 7.4414 7.4548 7.4548 11.0557 11.0557 12.5025 12.5025 12.7830 12.7830 12.8574 12.8574 k =-0.2963 0.2959 0.0000 ( 2898 PWs) bands (ev): -9.3018 -9.3018 -9.2593 -9.2593 -8.5732 -8.5732 -8.0542 -8.0542 -7.9278 -7.9278 -6.6855 -6.6855 -6.6623 -6.6623 -6.6126 -6.6126 0.9304 0.9304 4.7527 4.7527 5.0941 5.0941 5.5278 5.5279 5.6222 5.6222 5.9941 5.9941 6.2168 6.2168 7.3036 7.3036 7.4278 7.4278 7.4832 7.4832 11.0402 11.0402 12.5352 12.5352 12.8383 12.8383 12.8521 12.8521 k =-0.3056 0.3052 0.0000 ( 2896 PWs) bands (ev): -9.3036 -9.3036 -9.2589 -9.2589 -8.5600 -8.5600 -8.0362 -8.0361 -7.9132 -7.9132 -6.6858 -6.6858 -6.6629 -6.6629 -6.6105 -6.6105 0.9061 0.9061 4.7064 4.7064 5.0302 5.0302 5.5155 5.5155 5.6223 5.6223 5.9575 5.9575 6.1886 6.1886 7.2745 7.2745 7.4146 7.4146 7.5120 7.5120 11.0297 11.0297 12.5611 12.5611 12.8468 12.8468 12.8986 12.8986 k =-0.3148 0.3144 0.0000 ( 2896 PWs) bands (ev): -9.3055 -9.3055 -9.2586 -9.2586 -8.5477 -8.5477 -8.0177 -8.0176 -7.8988 -7.8988 -6.6862 -6.6862 -6.6636 -6.6636 -6.6084 -6.6084 0.8828 0.8828 4.6591 4.6591 4.9659 4.9659 5.5007 5.5007 5.6287 5.6287 5.9240 5.9240 6.1613 6.1613 7.2407 7.2407 7.4018 7.4018 7.5411 7.5411 11.0239 11.0239 12.5798 12.5798 12.8527 12.8527 12.9534 12.9534 k =-0.3241 0.3237 0.0000 ( 2888 PWs) bands (ev): -9.3074 -9.3074 -9.2583 -9.2583 -8.5363 -8.5363 -7.9988 -7.9988 -7.8847 -7.8847 -6.6865 -6.6865 -6.6642 -6.6642 -6.6061 -6.6061 0.8605 0.8605 4.6114 4.6114 4.9018 4.9018 5.4860 5.4860 5.6383 5.6383 5.8937 5.8937 6.1352 6.1352 7.2024 7.2024 7.3895 7.3895 7.5702 7.5702 11.0221 11.0221 12.5923 12.5923 12.8648 12.8648 13.0067 13.0067 k =-0.3333 0.3329 0.0000 ( 2884 PWs) bands (ev): -9.3095 -9.3095 -9.2580 -9.2580 -8.5257 -8.5257 -7.9798 -7.9798 -7.8708 -7.8708 -6.6869 -6.6869 -6.6648 -6.6648 -6.6038 -6.6038 0.8393 0.8393 4.5637 4.5637 4.8388 4.8388 5.4726 5.4726 5.6494 5.6494 5.8662 5.8662 6.1101 6.1101 7.1602 7.1602 7.3777 7.3777 7.5993 7.5993 11.0236 11.0236 12.6003 12.6003 12.8810 12.8810 13.0583 13.0583 k =-0.3426 0.3422 0.0000 ( 2884 PWs) bands (ev): -9.3116 -9.3116 -9.2578 -9.2578 -8.5159 -8.5159 -7.9608 -7.9608 -7.8572 -7.8572 -6.6872 -6.6872 -6.6654 -6.6654 -6.6014 -6.6014 0.8192 0.8192 4.5164 4.5164 4.7772 4.7772 5.4610 5.4610 5.6610 5.6610 5.8417 5.8417 6.0862 6.0862 7.1145 7.1145 7.3664 7.3664 7.6280 7.6280 11.0277 11.0277 12.6061 12.6061 12.8990 12.8990 13.1079 13.1079 k =-0.3519 0.3514 0.0000 ( 2888 PWs) bands (ev): -9.3137 -9.3137 -9.2576 -9.2576 -8.5069 -8.5069 -7.9420 -7.9420 -7.8440 -7.8440 -6.6875 -6.6875 -6.6659 -6.6659 -6.5989 -6.5989 0.8003 0.8003 4.4699 4.4699 4.7176 4.7176 5.4514 5.4514 5.6724 5.6724 5.8201 5.8201 6.0634 6.0634 7.0658 7.0658 7.3557 7.3557 7.6564 7.6564 11.0338 11.0338 12.6115 12.6115 12.9165 12.9165 13.1553 13.1553 k =-0.3611 0.3607 0.0000 ( 2888 PWs) bands (ev): -9.3158 -9.3158 -9.2574 -9.2574 -8.4986 -8.4986 -7.9234 -7.9234 -7.8312 -7.8312 -6.6879 -6.6879 -6.6665 -6.6665 -6.5964 -6.5964 0.7824 0.7824 4.4246 4.4246 4.6602 4.6602 5.4438 5.4438 5.6831 5.6831 5.8017 5.8017 6.0419 6.0419 7.0149 7.0149 7.3454 7.3454 7.6841 7.6841 11.0410 11.0410 12.6178 12.6178 12.9318 12.9318 13.2006 13.2006 k =-0.3704 0.3699 0.0000 ( 2892 PWs) bands (ev): -9.3179 -9.3179 -9.2573 -9.2573 -8.4911 -8.4911 -7.9052 -7.9052 -7.8188 -7.8188 -6.6882 -6.6882 -6.6671 -6.6671 -6.5939 -6.5939 0.7656 0.7656 4.3808 4.3808 4.6054 4.6054 5.4382 5.4382 5.6921 5.6921 5.7871 5.7871 6.0216 6.0216 6.9624 6.9624 7.3358 7.3358 7.7111 7.7111 11.0488 11.0488 12.6259 12.6259 12.9438 12.9438 13.2434 13.2434 k =-0.3796 0.3792 0.0000 ( 2896 PWs) bands (ev): -9.3200 -9.3200 -9.2571 -9.2571 -8.4842 -8.4842 -7.8877 -7.8877 -7.8070 -7.8070 -6.6885 -6.6885 -6.6676 -6.6676 -6.5914 -6.5914 0.7500 0.7500 4.3389 4.3389 4.5535 4.5535 5.4344 5.4344 5.6981 5.6981 5.7773 5.7773 6.0025 6.0025 6.9089 6.9089 7.3267 7.3267 7.7371 7.7371 11.0567 11.0567 12.6359 12.6359 12.9519 12.9519 13.2838 13.2838 k =-0.3889 0.3884 0.0000 ( 2896 PWs) bands (ev): -9.3220 -9.3220 -9.2570 -9.2570 -8.4780 -8.4780 -7.8710 -7.8710 -7.7957 -7.7957 -6.6888 -6.6888 -6.6682 -6.6682 -6.5890 -6.5890 0.7355 0.7355 4.2990 4.2990 4.5046 4.5046 5.4324 5.4324 5.7001 5.7001 5.7731 5.7731 5.9848 5.9848 6.8551 6.8551 7.3181 7.3181 7.7620 7.7620 11.0642 11.0642 12.6481 12.6481 12.9562 12.9562 13.3215 13.3215 k =-0.3981 0.3977 0.0000 ( 2904 PWs) bands (ev): -9.3240 -9.3240 -9.2569 -9.2569 -8.4724 -8.4724 -7.8551 -7.8551 -7.7850 -7.7850 -6.6891 -6.6891 -6.6687 -6.6687 -6.5866 -6.5866 0.7221 0.7221 4.2616 4.2616 4.4590 4.4590 5.4320 5.4320 5.6981 5.6981 5.7745 5.7745 5.9684 5.9684 6.8016 6.8016 7.3102 7.3102 7.7856 7.7856 11.0711 11.0711 12.6622 12.6622 12.9569 12.9569 13.3565 13.3565 k =-0.4074 0.4069 0.0000 ( 2902 PWs) bands (ev): -9.3258 -9.3258 -9.2568 -9.2568 -8.4674 -8.4674 -7.8403 -7.8403 -7.7749 -7.7749 -6.6894 -6.6894 -6.6691 -6.6691 -6.5843 -6.5843 0.7099 0.7099 4.2267 4.2267 4.4168 4.4168 5.4328 5.4328 5.6938 5.6938 5.7795 5.7795 5.9534 5.9534 6.7491 6.7491 7.3030 7.3030 7.8078 7.8078 11.0771 11.0771 12.6778 12.6778 12.9549 12.9549 13.3887 13.3887 k =-0.4167 0.4162 0.0000 ( 2906 PWs) bands (ev): -9.3276 -9.3276 -9.2567 -9.2567 -8.4629 -8.4629 -7.8266 -7.8266 -7.7655 -7.7655 -6.6897 -6.6897 -6.6696 -6.6696 -6.5822 -6.5822 0.6989 0.6989 4.1945 4.1945 4.3783 4.3783 5.4348 5.4348 5.6887 5.6887 5.7864 5.7864 5.9398 5.9398 6.6984 6.6984 7.2963 7.2963 7.8284 7.8284 11.0821 11.0821 12.6944 12.6944 12.9508 12.9508 13.4180 13.4180 k =-0.4259 0.4254 0.0000 ( 2904 PWs) bands (ev): -9.3292 -9.3292 -9.2566 -9.2566 -8.4590 -8.4590 -7.8142 -7.8142 -7.7568 -7.7568 -6.6900 -6.6900 -6.6700 -6.6700 -6.5802 -6.5802 0.6889 0.6889 4.1654 4.1654 4.3434 4.3434 5.4375 5.4375 5.6841 5.6841 5.7940 5.7940 5.9275 5.9275 6.6501 6.6501 7.2903 7.2903 7.8472 7.8472 11.0861 11.0861 12.7113 12.7113 12.9455 12.9455 13.4443 13.4443 k =-0.4352 0.4347 0.0000 ( 2896 PWs) bands (ev): -9.3306 -9.3306 -9.2565 -9.2565 -8.4555 -8.4555 -7.8032 -7.8032 -7.7489 -7.7489 -6.6902 -6.6902 -6.6704 -6.6704 -6.5783 -6.5783 0.6802 0.6802 4.1393 4.1393 4.3124 4.3124 5.4407 5.4407 5.6805 5.6805 5.8014 5.8014 5.9167 5.9167 6.6048 6.6048 7.2850 7.2850 7.8642 7.8642 11.0892 11.0892 12.7279 12.7279 12.9398 12.9398 13.4676 13.4676 k =-0.4444 0.4439 0.0000 ( 2896 PWs) bands (ev): -9.3319 -9.3319 -9.2565 -9.2565 -8.4526 -8.4526 -7.7936 -7.7936 -7.7418 -7.7418 -6.6905 -6.6905 -6.6707 -6.6707 -6.5767 -6.5767 0.6726 0.6726 4.1164 4.1164 4.2853 4.2853 5.4441 5.4441 5.6781 5.6781 5.8083 5.8083 5.9072 5.9072 6.5634 6.5634 7.2804 7.2804 7.8792 7.8792 11.0915 11.0915 12.7434 12.7434 12.9344 12.9344 13.4879 13.4879 k =-0.4537 0.4532 0.0000 ( 2896 PWs) bands (ev): -9.3330 -9.3330 -9.2564 -9.2564 -8.4501 -8.4501 -7.7854 -7.7854 -7.7357 -7.7357 -6.6907 -6.6907 -6.6710 -6.6710 -6.5753 -6.5753 0.6662 0.6662 4.0969 4.0969 4.2623 4.2623 5.4474 5.4474 5.6768 5.6768 5.8144 5.8144 5.8993 5.8993 6.5266 6.5266 7.2764 7.2764 7.8920 7.8920 11.0931 11.0931 12.7571 12.7571 12.9297 12.9297 13.5051 13.5051 k =-0.4630 0.4624 0.0000 ( 2892 PWs) bands (ev): -9.3340 -9.3340 -9.2564 -9.2564 -8.4482 -8.4482 -7.7787 -7.7787 -7.7305 -7.7305 -6.6908 -6.6908 -6.6712 -6.6712 -6.5741 -6.5741 0.6609 0.6609 4.0808 4.0808 4.2434 4.2434 5.4503 5.4503 5.6765 5.6765 5.8197 5.8197 5.8928 5.8928 6.4951 6.4951 7.2732 7.2732 7.9027 7.9027 11.0942 11.0942 12.7687 12.7687 12.9261 12.9261 13.5192 13.5192 k =-0.4722 0.4717 0.0000 ( 2892 PWs) bands (ev): -9.3347 -9.3347 -9.2564 -9.2564 -8.4466 -8.4466 -7.7735 -7.7735 -7.7264 -7.7264 -6.6910 -6.6910 -6.6714 -6.6714 -6.5731 -6.5731 0.6568 0.6568 4.0682 4.0682 4.2286 4.2286 5.4528 5.4528 5.6768 5.6768 5.8238 5.8238 5.8877 5.8877 6.4696 6.4696 7.2706 7.2706 7.9111 7.9111 11.0949 11.0949 12.7777 12.7777 12.9236 12.9236 13.5302 13.5302 k =-0.4815 0.4809 0.0000 ( 2884 PWs) bands (ev): -9.3352 -9.3352 -9.2563 -9.2563 -8.4455 -8.4455 -7.7699 -7.7698 -7.7234 -7.7234 -6.6911 -6.6911 -6.6715 -6.6715 -6.5724 -6.5724 0.6539 0.6539 4.0591 4.0591 4.2180 4.2180 5.4546 5.4546 5.6774 5.6774 5.8268 5.8268 5.8841 5.8841 6.4509 6.4509 7.2688 7.2688 7.9171 7.9171 11.0953 11.0953 12.7840 12.7840 12.9221 12.9221 13.5381 13.5381 k =-0.4907 0.4902 0.0000 ( 2884 PWs) bands (ev): -9.3355 -9.3355 -9.2563 -9.2563 -8.4449 -8.4449 -7.7676 -7.7676 -7.7215 -7.7215 -6.6911 -6.6911 -6.6716 -6.6716 -6.5720 -6.5720 0.6521 0.6521 4.0537 4.0537 4.2116 4.2116 5.4557 5.4557 5.6779 5.6779 5.8286 5.8286 5.8819 5.8819 6.4394 6.4394 7.2677 7.2677 7.9208 7.9208 11.0955 11.0955 12.7877 12.7877 12.9214 12.9214 13.5428 13.5428 k =-0.5000 0.4994 0.0000 ( 2876 PWs) bands (ev): -9.3356 -9.3356 -9.2563 -9.2563 -8.4446 -8.4446 -7.7669 -7.7669 -7.7209 -7.7209 -6.6911 -6.6911 -6.6716 -6.6716 -6.5719 -6.5719 0.6515 0.6515 4.0519 4.0519 4.2095 4.2095 5.4561 5.4561 5.6781 5.6781 5.8292 5.8292 5.8812 5.8812 6.4355 6.4355 7.2674 7.2674 7.9220 7.9220 11.0956 11.0956 12.7889 12.7889 12.9212 12.9212 13.5444 13.5444 k =-0.5000 0.4994 0.0000 ( 2876 PWs) bands (ev): -9.3356 -9.3356 -9.2563 -9.2563 -8.4446 -8.4446 -7.7669 -7.7669 -7.7209 -7.7209 -6.6911 -6.6911 -6.6716 -6.6716 -6.5719 -6.5719 0.6515 0.6515 4.0519 4.0519 4.2095 4.2095 5.4561 5.4561 5.6781 5.6781 5.8292 5.8292 5.8812 5.8812 6.4355 6.4355 7.2674 7.2674 7.9220 7.9220 11.0956 11.0956 12.7889 12.7889 12.9212 12.9212 13.5444 13.5444 k =-0.4994 0.5000-0.0000 ( 2878 PWs) bands (ev): -9.3357 -9.3356 -9.2563 -9.2563 -8.4447 -8.4446 -7.7669 -7.7669 -7.7210 -7.7209 -6.6911 -6.6911 -6.6716 -6.6716 -6.5719 -6.5719 0.6515 0.6515 4.0519 4.0519 4.2095 4.2095 5.4555 5.4567 5.6772 5.6790 5.8292 5.8293 5.8812 5.8812 6.4353 6.4358 7.2674 7.2674 7.9220 7.9220 11.0955 11.0956 12.7887 12.7891 12.9211 12.9212 13.5440 13.5448 k =-0.4994 0.5000-0.0000 ( 2878 PWs) bands (ev): -9.3357 -9.3356 -9.2563 -9.2563 -8.4447 -8.4446 -7.7669 -7.7669 -7.7210 -7.7209 -6.6911 -6.6911 -6.6716 -6.6716 -6.5719 -6.5719 0.6515 0.6515 4.0519 4.0519 4.2095 4.2095 5.4555 5.4567 5.6772 5.6790 5.8292 5.8293 5.8812 5.8812 6.4353 6.4358 7.2674 7.2674 7.9220 7.9220 11.0955 11.0956 12.7887 12.7891 12.9211 12.9212 13.5440 13.5448 k =-0.4994 0.5000 0.0133 ( 2876 PWs) bands (ev): -9.3357 -9.3353 -9.2567 -9.2560 -8.4437 -8.4437 -7.7681 -7.7660 -7.7219 -7.7198 -6.6917 -6.6901 -6.6719 -6.6707 -6.5719 -6.5718 0.6527 0.6529 4.0519 4.0519 4.2095 4.2095 5.4167 5.4441 5.6313 5.6392 5.8502 5.8675 5.9178 5.9215 6.4275 6.4355 7.2604 7.2607 7.9219 7.9220 11.0908 11.1032 12.7859 12.7890 12.9113 12.9364 13.5457 13.5496 k =-0.4994 0.5000 0.0265 ( 2886 PWs) bands (ev): -9.3356 -9.3348 -9.2573 -9.2560 -8.4410 -8.4409 -7.7695 -7.7654 -7.7227 -7.7186 -6.6917 -6.6886 -6.6716 -6.6690 -6.5718 -6.5715 0.6565 0.6568 4.0520 4.0520 4.2095 4.2096 5.3451 5.3886 5.5471 5.5573 5.9109 5.9369 5.9967 6.0019 6.4117 6.4281 7.2399 7.2405 7.9218 7.9219 11.0889 11.1136 12.7801 12.7866 12.9070 12.9566 13.5536 13.5612 k =-0.4994 0.5000 0.0398 ( 2894 PWs) bands (ev): -9.3353 -9.3341 -9.2581 -9.2561 -8.4364 -8.4362 -7.7711 -7.7651 -7.7234 -7.7173 -6.6913 -6.6867 -6.6706 -6.6668 -6.5715 -6.5711 0.6629 0.6634 4.0521 4.0521 4.2095 4.2097 5.2590 5.3111 5.4543 5.4653 5.9910 6.0158 6.0874 6.0912 6.3893 6.4149 7.2062 7.2070 7.9217 7.9218 11.0898 11.1267 12.7727 12.7828 12.9076 12.9808 13.5679 13.5787 k =-0.4994 0.5000 0.0531 ( 2910 PWs) bands (ev): -9.3349 -9.3332 -9.2591 -9.2564 -8.4299 -8.4297 -7.7729 -7.7650 -7.7239 -7.7158 -6.6904 -6.6843 -6.6689 -6.6640 -6.5711 -6.5706 0.6719 0.6725 4.0523 4.0523 4.2095 4.2098 5.1667 5.2240 5.3590 5.3705 6.0776 6.0929 6.1789 6.1814 6.3651 6.4006 7.1599 7.1609 7.9215 7.9216 11.0935 11.1424 12.7648 12.7785 12.9123 13.0083 13.5883 13.6015 k =-0.4994 0.5000 0.0663 ( 2906 PWs) bands (ev): -9.3342 -9.3321 -9.2601 -9.2568 -8.4216 -8.4214 -7.7748 -7.7652 -7.7243 -7.7142 -6.6889 -6.6815 -6.6666 -6.6606 -6.5705 -6.5699 0.6834 0.6842 4.0525 4.0526 4.2095 4.2098 5.0719 5.1330 5.2633 5.2752 6.1534 6.1569 6.2515 6.2750 6.3596 6.3972 7.1018 7.1028 7.9212 7.9214 11.0999 11.1605 12.7579 12.7748 12.9205 13.0386 13.6143 13.6288 k =-0.4994 0.5000 0.0796 ( 2906 PWs) bands (ev): -9.3333 -9.3309 -9.2613 -9.2574 -8.4116 -8.4114 -7.7769 -7.7657 -7.7245 -7.7126 -6.6870 -6.6782 -6.6637 -6.6566 -6.5698 -6.5690 0.6975 0.6985 4.0528 4.0529 4.2096 4.2099 4.9763 5.0403 5.1679 5.1801 6.1751 6.1850 6.3095 6.3667 6.4122 6.4263 7.0330 7.0339 7.9210 7.9211 11.1089 11.1808 12.7527 12.7723 12.9319 13.0713 13.6453 13.6594 k =-0.4994 0.5000 0.0928 ( 2904 PWs) bands (ev): -9.3323 -9.3295 -9.2627 -9.2582 -8.3998 -8.3997 -7.7791 -7.7665 -7.7246 -7.7108 -6.6847 -6.6745 -6.6602 -6.6522 -6.5690 -6.5679 0.7141 0.7153 4.0532 4.0532 4.2096 4.2100 4.8809 4.9475 5.0734 5.0859 6.1492 6.1538 6.3918 6.4550 6.4913 6.4955 6.9551 6.9556 7.9206 7.9208 11.1204 11.2032 12.7501 12.7717 12.9467 13.1060 13.6806 13.6915 k =-0.4994 0.5000 0.1061 ( 2904 PWs) bands (ev): -9.3312 -9.3280 -9.2641 -9.2591 -8.3863 -8.3862 -7.7814 -7.7674 -7.7245 -7.7090 -6.6819 -6.6704 -6.6561 -6.6474 -6.5679 -6.5667 0.7332 0.7347 4.0536 4.0536 4.2096 4.2099 4.7863 4.8553 4.9802 4.9929 6.0900 6.1067 6.4807 6.5394 6.5728 6.5834 6.8703 6.8716 7.9203 7.9205 11.1344 11.2274 12.7505 12.7738 12.9647 13.1427 13.7198 13.7243 k =-0.4994 0.5000 0.1194 ( 2902 PWs) bands (ev): -9.3300 -9.3265 -9.2657 -9.2602 -8.3713 -8.3711 -7.7837 -7.7686 -7.7242 -7.7071 -6.6786 -6.6660 -6.6516 -6.6422 -6.5667 -6.5653 0.7549 0.7566 4.0540 4.0540 4.2096 4.2098 4.6931 4.7643 4.8884 4.9013 6.0198 6.0452 6.5633 6.6096 6.6571 6.6690 6.7869 6.7954 7.9198 7.9201 11.1507 11.2535 12.7543 12.7789 12.9861 13.1810 13.7589 13.7622 k =-0.4994 0.5000 0.1326 ( 2912 PWs) bands (ev): -9.3288 -9.3249 -9.2674 -9.2614 -8.3548 -8.3544 -7.7860 -7.7700 -7.7238 -7.7051 -6.6749 -6.6613 -6.6467 -6.6367 -6.5653 -6.5637 0.7791 0.7810 4.0545 4.0545 4.2094 4.2095 4.6015 4.6747 4.7982 4.8114 5.9418 5.9741 6.5947 6.6049 6.7247 6.7405 6.7751 6.7874 7.9194 7.9196 11.1694 11.2813 12.7620 12.7876 13.0109 13.2208 13.7961 13.8073 k =-0.4994 0.5000 0.1459 ( 2912 PWs) bands (ev): -9.3275 -9.3232 -9.2692 -9.2628 -8.3369 -8.3363 -7.7883 -7.7715 -7.7232 -7.7031 -6.6709 -6.6563 -6.6414 -6.6310 -6.5637 -6.5618 0.8057 0.8080 4.0549 4.0550 4.2089 4.2092 4.5120 4.5871 4.7099 4.7234 5.8576 5.8956 6.5168 6.5190 6.7881 6.8245 6.8527 6.8530 7.9189 7.9192 11.1905 11.3108 12.7739 12.8003 13.0390 13.2620 13.8361 13.8546 k =-0.4994 0.5000 0.1592 ( 2904 PWs) bands (ev): -9.3261 -9.3216 -9.2710 -9.2643 -8.3177 -8.3168 -7.7904 -7.7731 -7.7225 -7.7011 -6.6664 -6.6510 -6.6358 -6.6251 -6.5619 -6.5597 0.8348 0.8374 4.0554 4.0555 4.2076 4.2087 4.4251 4.5016 4.6237 4.6374 5.7682 5.8111 6.4066 6.4103 6.8703 6.9083 6.9312 6.9347 7.9184 7.9187 11.2140 11.3419 12.7901 12.8171 13.0703 13.3043 13.8786 13.9036 k =-0.4994 0.5000 0.1724 ( 2900 PWs) bands (ev): -9.3248 -9.3199 -9.2729 -9.2659 -8.2974 -8.2961 -7.7924 -7.7748 -7.7216 -7.6991 -6.6616 -6.6456 -6.6300 -6.6192 -6.5598 -6.5572 0.8663 0.8692 4.0559 4.0560 4.2045 4.2076 4.3421 4.4189 4.5396 4.5537 5.6742 5.7216 6.2884 6.2924 6.9539 6.9903 7.0100 7.0147 7.9179 7.9181 11.2399 11.3747 12.8109 12.8385 13.1046 13.3475 13.9235 13.9540 k =-0.4994 0.5000 0.1857 ( 2900 PWs) bands (ev): -9.3234 -9.3183 -9.2749 -9.2676 -8.2760 -8.2743 -7.7942 -7.7764 -7.7205 -7.6972 -6.6565 -6.6399 -6.6240 -6.6132 -6.5574 -6.5544 0.9002 0.9035 4.0563 4.0564 4.1940 4.2052 4.2688 4.3398 4.4579 4.4723 5.5765 5.6279 6.1657 6.1697 7.0357 7.0698 7.0867 7.0919 7.9173 7.9176 11.2684 11.4092 12.8364 12.8646 13.1417 13.3915 13.9702 14.0054 k =-0.4994 0.5000 0.1990 ( 2900 PWs) bands (ev): -9.3221 -9.3168 -9.2769 -9.2694 -8.2538 -8.2516 -7.7957 -7.7780 -7.7193 -7.6952 -6.6512 -6.6342 -6.6181 -6.6074 -6.5547 -6.5512 0.9364 0.9402 4.0564 4.0567 4.1519 4.1973 4.2295 4.2687 4.3787 4.3936 5.4755 5.5306 6.0403 6.0442 7.1146 7.1460 7.1607 7.1659 7.9168 7.9170 11.2993 11.4454 12.8667 12.8955 13.1813 13.4359 14.0185 14.0573 k =-0.4994 0.5000 0.2122 ( 2902 PWs) bands (ev): -9.3209 -9.3153 -9.2789 -9.2713 -8.2309 -8.2282 -7.7969 -7.7795 -7.7180 -7.6933 -6.6456 -6.6283 -6.6121 -6.6018 -6.5516 -6.5476 0.9749 0.9791 4.0539 4.0566 4.0852 4.1626 4.2195 4.2272 4.3024 4.3179 5.3718 5.4304 5.9133 5.9171 7.1901 7.2187 7.2315 7.2365 7.9162 7.9164 11.3328 11.4833 12.9019 12.9313 13.2232 13.4806 14.0680 14.1096 k =-0.4994 0.5000 0.2255 ( 2904 PWs) bands (ev): -9.3196 -9.3139 -9.2810 -9.2732 -8.2076 -8.2042 -7.7977 -7.7808 -7.7165 -7.6914 -6.6398 -6.6224 -6.6063 -6.5964 -6.5482 -6.5436 1.0156 1.0203 4.0054 4.0545 4.0608 4.1010 4.2125 4.2137 4.2323 4.2481 5.2659 5.3279 5.7859 5.7896 7.2619 7.2875 7.2990 7.3035 7.9156 7.9157 11.3687 11.5229 12.9418 12.9719 13.2671 13.5253 14.1185 14.1618 k =-0.4994 0.5000 0.2388 ( 2908 PWs) bands (ev): -9.3185 -9.3126 -9.2830 -9.2752 -8.1840 -8.1799 -7.7980 -7.7818 -7.7149 -7.6896 -6.6339 -6.6165 -6.6007 -6.5913 -6.5443 -6.5392 1.0585 1.0638 3.9345 4.0234 4.0597 4.0642 4.1557 4.1684 4.2163 4.2198 5.1584 5.2236 5.6588 5.6624 7.3296 7.3522 7.3630 7.3668 7.9150 7.9151 11.4072 11.5640 12.9864 13.0172 13.3126 13.5698 14.1695 14.2137 k =-0.4994 0.5000 0.2520 ( 2904 PWs) bands (ev): -9.3173 -9.3114 -9.2850 -9.2773 -8.1604 -8.1555 -7.7977 -7.7825 -7.7132 -7.6878 -6.6279 -6.6107 -6.5954 -6.5865 -6.5400 -6.5343 1.1034 1.1093 3.8650 3.9603 4.0580 4.0591 4.0904 4.1042 4.2139 4.2164 5.0496 5.1180 5.5331 5.5365 7.3932 7.4127 7.4233 7.4262 7.9144 7.9145 11.4479 11.6065 13.0355 13.0672 13.3595 13.6138 14.2209 14.2650 k =-0.4994 0.5000 0.2653 ( 2900 PWs) bands (ev): -9.3163 -9.3103 -9.2870 -9.2793 -8.1371 -8.1312 -7.7967 -7.7827 -7.7114 -7.6861 -6.6218 -6.6049 -6.5904 -6.5821 -6.5352 -6.5291 1.1503 1.1569 3.7979 3.8972 4.0188 4.0317 4.0652 4.0666 4.2120 4.2144 4.9402 5.0116 5.4095 5.4127 7.4524 7.4689 7.4799 7.4819 7.9138 7.9138 11.4908 11.6502 13.0889 13.1214 13.4075 13.6571 14.2723 14.3155 k =-0.4994 0.5000 0.2785 ( 2916 PWs) bands (ev): -9.3153 -9.3094 -9.2890 -9.2814 -8.1143 -8.1075 -7.7949 -7.7823 -7.7095 -7.6846 -6.6157 -6.5993 -6.5858 -6.5779 -6.5301 -6.5236 1.1990 1.2063 3.7337 3.8366 3.9579 3.9729 4.0641 4.0642 4.2102 4.2125 4.8304 4.9049 5.2888 5.2918 7.5074 7.5210 7.5326 7.5337 7.9132 7.9133 11.5355 11.6948 13.1461 13.1797 13.4563 13.6995 14.3235 14.3649 k =-0.4994 0.5000 0.2918 ( 2916 PWs) bands (ev): -9.3144 -9.3085 -9.2909 -9.2835 -8.0925 -8.0846 -7.7922 -7.7812 -7.7075 -7.6831 -6.6096 -6.5939 -6.5815 -6.5741 -6.5247 -6.5179 1.2495 1.2576 3.6725 3.7792 3.8991 3.9147 4.0642 4.0643 4.2080 4.2103 4.7207 4.7984 5.1718 5.1746 7.5580 7.5690 7.5814 7.5817 7.9125 7.9127 11.5819 11.7400 13.2067 13.2414 13.5058 13.7408 14.3741 14.4130 k =-0.4994 0.5000 0.3051 ( 2906 PWs) bands (ev): -9.3135 -9.3077 -9.2927 -9.2855 -8.0717 -8.0627 -7.7885 -7.7792 -7.7054 -7.6817 -6.6036 -6.5886 -6.5776 -6.5705 -6.5190 -6.5121 1.3014 1.3104 3.6144 3.7250 3.8433 3.8594 4.0646 4.0647 4.2052 4.2076 4.6117 4.6925 5.0592 5.0619 7.6043 7.6131 7.6260 7.6262 7.9119 7.9122 11.6295 11.7853 13.2703 13.3062 13.5556 13.7807 14.4239 14.4596 k =-0.4994 0.5000 0.3183 ( 2910 PWs) bands (ev): -9.3127 -9.3071 -9.2944 -9.2876 -8.0523 -8.0423 -7.7838 -7.7762 -7.7034 -7.6805 -6.5977 -6.5836 -6.5740 -6.5670 -6.5133 -6.5064 1.3547 1.3646 3.5595 3.6742 3.7907 3.8073 4.0651 4.0652 4.2017 4.2041 4.5037 4.5877 4.9518 4.9543 7.6465 7.6534 7.6666 7.6672 7.9113 7.9117 11.6779 11.8304 13.3361 13.3735 13.6055 13.8190 14.4726 14.5045 k =-0.4994 0.5000 0.3316 ( 2908 PWs) bands (ev): -9.3120 -9.3065 -9.2961 -9.2895 -8.0347 -8.0237 -7.7779 -7.7722 -7.7013 -7.6793 -6.5919 -6.5790 -6.5706 -6.5638 -6.5074 -6.5007 1.4091 1.4199 3.5079 3.6268 3.7416 3.7586 4.0657 4.0658 4.1970 4.1995 4.3973 4.4844 4.8505 4.8529 7.6847 7.6900 7.7036 7.7043 7.9107 7.9113 11.7267 11.8748 13.4035 13.4424 13.6553 13.8555 14.5198 14.5478 k =-0.4994 0.5000 0.3449 ( 2910 PWs) bands (ev): -9.3113 -9.3061 -9.2976 -9.2914 -8.0188 -8.0070 -7.7709 -7.7669 -7.6992 -7.6783 -6.5863 -6.5746 -6.5675 -6.5607 -6.5016 -6.4951 1.4644 1.4761 3.4598 3.5830 3.6960 3.7133 4.0662 4.0663 4.1904 4.1935 4.2932 4.3833 4.7561 4.7584 7.7190 7.7231 7.7370 7.7378 7.9102 7.9109 11.7754 11.9178 13.4717 13.5124 13.7046 13.8899 14.5651 14.5891 k =-0.4994 0.5000 0.3581 ( 2924 PWs) bands (ev): -9.3107 -9.3057 -9.2991 -9.2933 -8.0048 -7.9924 -7.7629 -7.7605 -7.6971 -7.6775 -6.5810 -6.5707 -6.5645 -6.5577 -6.4960 -6.4898 1.5200 1.5328 3.4151 3.5427 3.6540 3.6716 4.0667 4.0668 4.1746 4.1854 4.1990 4.2848 4.6697 4.6719 7.7497 7.7527 7.7671 7.7678 7.9097 7.9105 11.8233 11.9590 13.5399 13.5824 13.7531 13.9221 14.6082 14.6285 k =-0.4994 0.5000 0.3714 ( 2924 PWs) bands (ev): -9.3101 -9.3054 -9.3004 -9.2950 -7.9928 -7.9801 -7.7541 -7.7531 -7.6951 -7.6768 -6.5760 -6.5670 -6.5618 -6.5549 -6.4905 -6.4848 1.5758 1.5894 3.3742 3.5058 3.6158 3.6335 4.0671 4.0672 4.0892 4.1732 4.1750 4.1907 4.5924 4.5945 7.7769 7.7791 7.7939 7.7944 7.9092 7.9102 11.8701 11.9978 13.6071 13.6516 13.8005 13.9518 14.6487 14.6657 k =-0.4994 0.5000 0.3847 ( 2924 PWs) bands (ev): -9.3096 -9.3052 -9.3016 -9.2967 -7.9825 -7.9700 -7.7449 -7.7448 -7.6931 -7.6763 -6.5713 -6.5638 -6.5592 -6.5522 -6.4854 -6.4801 1.6310 1.6455 3.3370 3.4722 3.5816 3.5991 3.9945 4.0676 4.0679 4.0968 4.1602 4.1613 4.5255 4.5275 7.8009 7.8023 7.8176 7.8178 7.9088 7.9100 11.9152 12.0339 13.6723 13.7189 13.8463 13.9787 14.6859 14.7006 k =-0.4994 0.5000 0.3979 ( 2922 PWs) bands (ev): -9.3091 -9.3051 -9.3026 -9.2982 -7.9739 -7.9618 -7.7362 -7.7353 -7.6911 -7.6759 -6.5670 -6.5609 -6.5568 -6.5498 -6.4806 -6.4758 1.6852 1.7003 3.3038 3.4415 3.5516 3.5685 3.9044 4.0092 4.0682 4.0683 4.1421 4.1430 4.4700 4.4717 7.8217 7.8226 7.8382 7.8383 7.9084 7.9099 11.9580 12.0665 13.7347 13.7834 13.8900 14.0026 14.7194 14.7329 k =-0.4994 0.5000 0.4112 ( 2920 PWs) bands (ev): -9.3086 -9.3050 -9.3035 -9.2996 -7.9667 -7.9555 -7.7273 -7.7259 -7.6892 -7.6757 -6.5631 -6.5584 -6.5545 -6.5476 -6.4762 -6.4719 1.7375 1.7530 3.2750 3.4133 3.5262 3.5418 3.8201 3.9267 4.0686 4.0687 4.1201 4.1207 4.4261 4.4276 7.8397 7.8400 7.8558 7.8561 7.9081 7.9099 11.9980 12.0954 13.7931 13.8439 13.9312 14.0231 14.7481 14.7619 k =-0.4994 0.5000 0.4244 ( 2910 PWs) bands (ev): -9.3082 -9.3050 -9.3042 -9.3009 -7.9608 -7.9507 -7.7187 -7.7171 -7.6874 -7.6756 -6.5597 -6.5563 -6.5524 -6.5458 -6.4722 -6.4685 1.7870 1.8024 3.2509 3.3867 3.5059 3.5191 3.7429 3.8497 4.0690 4.0690 4.0953 4.0956 4.3933 4.3944 7.8546 7.8548 7.8706 7.8712 7.9079 7.9101 12.0348 12.1201 13.8468 13.8993 13.9691 14.0400 14.7704 14.7856 k =-0.4994 0.5000 0.4377 ( 2894 PWs) bands (ev): -9.3078 -9.3050 -9.3048 -9.3020 -7.9560 -7.9473 -7.7108 -7.7091 -7.6857 -7.6757 -6.5568 -6.5544 -6.5503 -6.5442 -6.4687 -6.4656 1.8328 1.8475 3.2320 3.3609 3.4910 3.5004 3.6746 3.7791 4.0693 4.0693 4.0695 4.0696 4.3697 4.3705 7.8666 7.8673 7.8829 7.8837 7.9079 7.9105 12.0680 12.1404 13.8951 13.9486 14.0029 14.0529 14.7850 14.7984 k =-0.4994 0.5000 0.4510 ( 2874 PWs) bands (ev): -9.3074 -9.3052 -9.3051 -9.3030 -7.9521 -7.9449 -7.7037 -7.7021 -7.6842 -7.6760 -6.5545 -6.5529 -6.5482 -6.5430 -6.4658 -6.4633 1.8735 1.8868 3.2190 3.3349 3.4820 3.4860 3.6170 3.7154 4.0450 4.0450 4.0695 4.0696 4.3534 4.3539 7.8761 7.8771 7.8927 7.8938 7.9081 7.9110 12.0971 12.1559 13.9374 13.9908 14.0318 14.0617 14.7933 14.8022 k =-0.4994 0.5000 0.4642 ( 2868 PWs) bands (ev): -9.3070 -9.3054 -9.3052 -9.3039 -7.9490 -7.9435 -7.6979 -7.6965 -7.6827 -7.6765 -6.5528 -6.5518 -6.5464 -6.5423 -6.4634 -6.4615 1.9078 1.9189 3.2125 3.3083 3.4760 3.4788 3.5722 3.6596 4.0239 4.0240 4.0697 4.0698 4.3424 4.3428 7.8831 7.8842 7.9000 7.9016 7.9086 7.9118 12.1218 12.1664 13.9736 14.0250 14.0549 14.0661 14.7977 14.8032 k =-0.4994 0.5000 0.4775 ( 2872 PWs) bands (ev): -9.3067 -9.3055 -9.3054 -9.3046 -7.9466 -7.9428 -7.6936 -7.6925 -7.6814 -7.6771 -6.5517 -6.5511 -6.5448 -6.5420 -6.4616 -6.4603 1.9343 1.9423 3.2130 3.2817 3.4706 3.4795 3.5427 3.6121 4.0079 4.0080 4.0699 4.0699 4.3354 4.3356 7.8879 7.8889 7.9051 7.9069 7.9096 7.9127 12.1418 12.1718 14.0034 14.0492 14.0671 14.0711 14.8001 14.8033 k =-0.4994 0.5000 0.4908 ( 2872 PWs) bands (ev): -9.3064 -9.3057 -9.3055 -9.3050 -7.9447 -7.9428 -7.6907 -7.6902 -7.6802 -7.6780 -6.5509 -6.5507 -6.5435 -6.5420 -6.4604 -6.4597 1.9517 1.9559 3.2210 3.2569 3.4699 3.4786 3.5336 3.5738 3.9979 3.9980 4.0700 4.0700 4.3316 4.3317 7.8907 7.8913 7.9080 7.9089 7.9116 7.9133 12.1570 12.1721 14.0269 14.0543 14.0731 14.0798 14.8015 14.8030 k =-0.4994 0.5000 0.5040 ( 2872 PWs) bands (ev): -9.3060 -9.3060 -9.3053 -9.3053 -7.9436 -7.9434 -7.6896 -7.6896 -7.6791 -7.6789 -6.5506 -6.5506 -6.5426 -6.5425 -6.4598 -6.4597 1.9590 1.9592 3.2346 3.2373 3.4733 3.4739 3.5454 3.5471 3.9946 3.9946 4.0700 4.0700 4.3304 4.3304 7.8918 7.8919 7.9091 7.9091 7.9131 7.9131 12.1666 12.1676 14.0439 14.0444 14.0793 14.0811 14.8023 14.8024 k =-0.4994 0.5000 0.5040 ( 2872 PWs) bands (ev): -9.3060 -9.3060 -9.3053 -9.3053 -7.9436 -7.9434 -7.6896 -7.6896 -7.6791 -7.6789 -6.5506 -6.5506 -6.5426 -6.5425 -6.4598 -6.4597 1.9590 1.9592 3.2346 3.2373 3.4733 3.4739 3.5454 3.5471 3.9946 3.9946 4.0700 4.0700 4.3304 4.3304 7.8918 7.8919 7.9091 7.9091 7.9131 7.9131 12.1666 12.1676 14.0439 14.0444 14.0793 14.0811 14.8023 14.8024 k =-0.5000 0.4994 0.5040 ( 2872 PWs) bands (ev): -9.3060 -9.3060 -9.3053 -9.3053 -7.9435 -7.9435 -7.6896 -7.6896 -7.6790 -7.6790 -6.5506 -6.5506 -6.5426 -6.5426 -6.4597 -6.4597 1.9591 1.9591 3.2359 3.2359 3.4736 3.4736 3.5462 3.5462 3.9946 3.9946 4.0700 4.0700 4.3304 4.3304 7.8919 7.8919 7.9091 7.9091 7.9131 7.9131 12.1671 12.1671 14.0442 14.0442 14.0802 14.0802 14.8024 14.8024 k =-0.5000 0.4994 0.5040 ( 2872 PWs) bands (ev): -9.3060 -9.3060 -9.3053 -9.3053 -7.9435 -7.9435 -7.6896 -7.6896 -7.6790 -7.6790 -6.5506 -6.5506 -6.5426 -6.5426 -6.4597 -6.4597 1.9591 1.9591 3.2359 3.2359 3.4736 3.4736 3.5462 3.5462 3.9946 3.9946 4.0700 4.0700 4.3304 4.3304 7.8919 7.8919 7.9091 7.9091 7.9131 7.9131 12.1671 12.1671 14.0442 14.0442 14.0802 14.0802 14.8024 14.8024 k =-0.5000 0.4994 0.4908 ( 2872 PWs) bands (ev): -9.3064 -9.3057 -9.3055 -9.3050 -7.9447 -7.9429 -7.6907 -7.6902 -7.6802 -7.6780 -6.5509 -6.5507 -6.5435 -6.5420 -6.4604 -6.4597 1.9517 1.9560 3.2210 3.2568 3.4700 3.4786 3.5336 3.5738 3.9979 3.9980 4.0700 4.0700 4.3316 4.3317 7.8907 7.8913 7.9080 7.9089 7.9116 7.9133 12.1570 12.1721 14.0270 14.0543 14.0733 14.0797 14.8015 14.8030 k =-0.5000 0.4994 0.4775 ( 2872 PWs) bands (ev): -9.3067 -9.3055 -9.3054 -9.3046 -7.9466 -7.9428 -7.6936 -7.6925 -7.6814 -7.6771 -6.5517 -6.5511 -6.5448 -6.5420 -6.4616 -6.4603 1.9343 1.9423 3.2130 3.2816 3.4706 3.4795 3.5427 3.6121 4.0079 4.0080 4.0699 4.0699 4.3354 4.3356 7.8879 7.8889 7.9051 7.9069 7.9096 7.9127 12.1418 12.1718 14.0034 14.0492 14.0672 14.0711 14.8001 14.8033 k =-0.5000 0.4994 0.4642 ( 2868 PWs) bands (ev): -9.3070 -9.3054 -9.3052 -9.3039 -7.9490 -7.9435 -7.6979 -7.6965 -7.6827 -7.6765 -6.5528 -6.5518 -6.5464 -6.5423 -6.4634 -6.4615 1.9078 1.9189 3.2125 3.3082 3.4760 3.4788 3.5721 3.6595 4.0239 4.0240 4.0697 4.0697 4.3424 4.3428 7.8831 7.8843 7.9001 7.9016 7.9086 7.9118 12.1218 12.1664 13.9736 14.0250 14.0549 14.0661 14.7977 14.8032 k =-0.5000 0.4994 0.4510 ( 2872 PWs) bands (ev): -9.3074 -9.3052 -9.3051 -9.3030 -7.9521 -7.9449 -7.7037 -7.7021 -7.6842 -7.6760 -6.5545 -6.5529 -6.5482 -6.5430 -6.4658 -6.4633 1.8735 1.8868 3.2190 3.3349 3.4820 3.4860 3.6170 3.7154 4.0450 4.0450 4.0695 4.0696 4.3534 4.3539 7.8761 7.8771 7.8927 7.8938 7.9081 7.9111 12.0971 12.1559 13.9375 13.9908 14.0319 14.0617 14.7933 14.8022 k =-0.5000 0.4994 0.4377 ( 2892 PWs) bands (ev): -9.3078 -9.3050 -9.3048 -9.3020 -7.9560 -7.9473 -7.7108 -7.7090 -7.6857 -7.6757 -6.5568 -6.5544 -6.5503 -6.5442 -6.4687 -6.4656 1.8328 1.8475 3.2320 3.3609 3.4910 3.5004 3.6745 3.7790 4.0692 4.0693 4.0695 4.0696 4.3697 4.3705 7.8666 7.8673 7.8829 7.8837 7.9079 7.9105 12.0680 12.1404 13.8951 13.9486 14.0030 14.0529 14.7851 14.7984 k =-0.5000 0.4994 0.4244 ( 2912 PWs) bands (ev): -9.3082 -9.3050 -9.3042 -9.3009 -7.9608 -7.9507 -7.7187 -7.7171 -7.6874 -7.6756 -6.5597 -6.5563 -6.5524 -6.5458 -6.4722 -6.4685 1.7871 1.8025 3.2509 3.3867 3.5059 3.5191 3.7429 3.8497 4.0689 4.0690 4.0953 4.0956 4.3933 4.3944 7.8546 7.8548 7.8706 7.8712 7.9079 7.9101 12.0348 12.1201 13.8469 13.8992 13.9691 14.0400 14.7704 14.7857 k =-0.5000 0.4994 0.4112 ( 2920 PWs) bands (ev): -9.3086 -9.3050 -9.3035 -9.2996 -7.9667 -7.9555 -7.7273 -7.7259 -7.6892 -7.6756 -6.5631 -6.5584 -6.5545 -6.5476 -6.4762 -6.4719 1.7375 1.7530 3.2750 3.4133 3.5262 3.5418 3.8200 3.9267 4.0686 4.0687 4.1201 4.1207 4.4261 4.4276 7.8397 7.8400 7.8558 7.8561 7.9081 7.9099 11.9980 12.0954 13.7932 13.8438 13.9312 14.0231 14.7481 14.7619 k =-0.5000 0.4994 0.3979 ( 2920 PWs) bands (ev): -9.3091 -9.3051 -9.3026 -9.2982 -7.9739 -7.9618 -7.7362 -7.7353 -7.6911 -7.6759 -6.5670 -6.5609 -6.5568 -6.5498 -6.4806 -6.4758 1.6852 1.7003 3.3038 3.4415 3.5516 3.5685 3.9044 4.0092 4.0682 4.0683 4.1421 4.1429 4.4700 4.4717 7.8217 7.8226 7.8382 7.8383 7.9084 7.9099 11.9580 12.0665 13.7347 13.7833 13.8901 14.0026 14.7194 14.7329 k =-0.5000 0.4994 0.3847 ( 2924 PWs) bands (ev): -9.3096 -9.3052 -9.3016 -9.2967 -7.9825 -7.9700 -7.7449 -7.7448 -7.6931 -7.6763 -6.5713 -6.5638 -6.5592 -6.5522 -6.4854 -6.4801 1.6310 1.6455 3.3370 3.4722 3.5816 3.5991 3.9945 4.0676 4.0679 4.0967 4.1602 4.1613 4.5255 4.5275 7.8009 7.8023 7.8176 7.8178 7.9088 7.9100 11.9152 12.0339 13.6724 13.7189 13.8463 13.9787 14.6859 14.7006 k =-0.5000 0.4994 0.3714 ( 2924 PWs) bands (ev): -9.3101 -9.3054 -9.3004 -9.2950 -7.9928 -7.9801 -7.7541 -7.7531 -7.6951 -7.6768 -6.5760 -6.5670 -6.5618 -6.5549 -6.4905 -6.4848 1.5758 1.5894 3.3741 3.5058 3.6158 3.6335 4.0671 4.0672 4.0892 4.1732 4.1750 4.1907 4.5924 4.5945 7.7769 7.7791 7.7939 7.7944 7.9092 7.9102 11.8701 11.9979 13.6072 13.6515 13.8005 13.9518 14.6487 14.6657 k =-0.5000 0.4994 0.3581 ( 2924 PWs) bands (ev): -9.3107 -9.3057 -9.2991 -9.2933 -8.0048 -7.9924 -7.7629 -7.7605 -7.6971 -7.6775 -6.5810 -6.5707 -6.5645 -6.5577 -6.4960 -6.4898 1.5201 1.5328 3.4151 3.5427 3.6540 3.6716 4.0667 4.0668 4.1746 4.1853 4.1990 4.2848 4.6697 4.6719 7.7497 7.7527 7.7671 7.7678 7.9097 7.9105 11.8234 11.9590 13.5400 13.5823 13.7531 13.9221 14.6082 14.6285 k =-0.5000 0.4994 0.3449 ( 2912 PWs) bands (ev): -9.3113 -9.3061 -9.2976 -9.2914 -8.0188 -8.0070 -7.7708 -7.7669 -7.6992 -7.6783 -6.5863 -6.5746 -6.5675 -6.5607 -6.5016 -6.4951 1.4644 1.4761 3.4598 3.5830 3.6960 3.7133 4.0662 4.0663 4.1903 4.1935 4.2932 4.3833 4.7561 4.7584 7.7190 7.7231 7.7371 7.7378 7.9102 7.9109 11.7754 11.9178 13.4718 13.5123 13.7046 13.8899 14.5652 14.5891 k =-0.5000 0.4994 0.3316 ( 2908 PWs) bands (ev): -9.3120 -9.3065 -9.2961 -9.2895 -8.0347 -8.0237 -7.7779 -7.7722 -7.7013 -7.6793 -6.5919 -6.5790 -6.5706 -6.5638 -6.5074 -6.5007 1.4091 1.4200 3.5079 3.6268 3.7416 3.7586 4.0656 4.0658 4.1969 4.1995 4.3972 4.4844 4.8505 4.8529 7.6847 7.6900 7.7036 7.7043 7.9107 7.9113 11.7267 11.8748 13.4036 13.4424 13.6553 13.8555 14.5198 14.5478 k =-0.5000 0.4994 0.3183 ( 2908 PWs) bands (ev): -9.3127 -9.3071 -9.2944 -9.2875 -8.0523 -8.0423 -7.7838 -7.7762 -7.7034 -7.6805 -6.5976 -6.5836 -6.5740 -6.5670 -6.5132 -6.5064 1.3547 1.3646 3.5595 3.6742 3.7907 3.8073 4.0651 4.0652 4.2017 4.2041 4.5037 4.5876 4.9518 4.9543 7.6465 7.6534 7.6666 7.6672 7.9113 7.9117 11.6779 11.8304 13.3362 13.3734 13.6055 13.8190 14.4726 14.5046 k =-0.5000 0.4994 0.3051 ( 2908 PWs) bands (ev): -9.3135 -9.3077 -9.2927 -9.2855 -8.0717 -8.0627 -7.7885 -7.7792 -7.7054 -7.6817 -6.6036 -6.5886 -6.5776 -6.5705 -6.5190 -6.5122 1.3014 1.3104 3.6144 3.7250 3.8433 3.8594 4.0646 4.0647 4.2052 4.2076 4.6117 4.6925 5.0592 5.0619 7.6043 7.6131 7.6260 7.6262 7.9119 7.9122 11.6295 11.7854 13.2703 13.3062 13.5556 13.7806 14.4240 14.4596 k =-0.5000 0.4994 0.2918 ( 2916 PWs) bands (ev): -9.3144 -9.3085 -9.2909 -9.2835 -8.0925 -8.0846 -7.7922 -7.7812 -7.7075 -7.6831 -6.6096 -6.5939 -6.5815 -6.5741 -6.5247 -6.5179 1.2495 1.2576 3.6725 3.7792 3.8991 3.9147 4.0642 4.0643 4.2080 4.2103 4.7207 4.7984 5.1718 5.1746 7.5580 7.5690 7.5814 7.5817 7.9125 7.9127 11.5819 11.7400 13.2068 13.2414 13.5058 13.7408 14.3741 14.4130 k =-0.5000 0.4994 0.2785 ( 2916 PWs) bands (ev): -9.3153 -9.3094 -9.2890 -9.2814 -8.1143 -8.1075 -7.7949 -7.7823 -7.7095 -7.6846 -6.6157 -6.5993 -6.5858 -6.5779 -6.5301 -6.5236 1.1990 1.2063 3.7337 3.8366 3.9579 3.9729 4.0641 4.0642 4.2102 4.2125 4.8303 4.9049 5.2888 5.2918 7.5074 7.5210 7.5326 7.5337 7.9132 7.9133 11.5356 11.6948 13.1462 13.1796 13.4563 13.6995 14.3235 14.3649 k =-0.5000 0.4994 0.2653 ( 2900 PWs) bands (ev): -9.3163 -9.3103 -9.2870 -9.2793 -8.1371 -8.1312 -7.7967 -7.7827 -7.7114 -7.6861 -6.6218 -6.6049 -6.5904 -6.5821 -6.5352 -6.5291 1.1503 1.1569 3.7979 3.8972 4.0188 4.0317 4.0652 4.0666 4.2120 4.2144 4.9401 5.0116 5.4095 5.4127 7.4524 7.4689 7.4799 7.4819 7.9138 7.9138 11.4908 11.6502 13.0889 13.1214 13.4075 13.6571 14.2723 14.3155 k =-0.5000 0.4994 0.2520 ( 2904 PWs) bands (ev): -9.3173 -9.3114 -9.2850 -9.2773 -8.1604 -8.1555 -7.7977 -7.7825 -7.7132 -7.6878 -6.6279 -6.6107 -6.5954 -6.5865 -6.5400 -6.5343 1.1034 1.1093 3.8650 3.9603 4.0582 4.0589 4.0904 4.1042 4.2139 4.2164 5.0496 5.1180 5.5331 5.5365 7.3932 7.4127 7.4233 7.4262 7.9144 7.9145 11.4479 11.6065 13.0356 13.0671 13.3595 13.6138 14.2209 14.2650 k =-0.5000 0.4994 0.2388 ( 2908 PWs) bands (ev): -9.3185 -9.3126 -9.2830 -9.2752 -8.1840 -8.1799 -7.7980 -7.7818 -7.7149 -7.6896 -6.6339 -6.6165 -6.6007 -6.5913 -6.5443 -6.5392 1.0585 1.0638 3.9345 4.0234 4.0597 4.0642 4.1557 4.1684 4.2163 4.2198 5.1583 5.2236 5.6588 5.6624 7.3296 7.3522 7.3630 7.3668 7.9150 7.9151 11.4072 11.5640 12.9865 13.0172 13.3126 13.5698 14.1695 14.2137 k =-0.5000 0.4994 0.2255 ( 2904 PWs) bands (ev): -9.3196 -9.3139 -9.2810 -9.2732 -8.2076 -8.2042 -7.7977 -7.7808 -7.7165 -7.6914 -6.6398 -6.6224 -6.6063 -6.5964 -6.5482 -6.5436 1.0156 1.0203 4.0054 4.0544 4.0608 4.1009 4.2125 4.2137 4.2323 4.2481 5.2659 5.3279 5.7859 5.7896 7.2619 7.2875 7.2990 7.3035 7.9156 7.9157 11.3687 11.5229 12.9419 12.9719 13.2671 13.5253 14.1185 14.1618 k =-0.5000 0.4994 0.2122 ( 2902 PWs) bands (ev): -9.3209 -9.3153 -9.2789 -9.2713 -8.2309 -8.2282 -7.7969 -7.7795 -7.7180 -7.6933 -6.6456 -6.6283 -6.6121 -6.6018 -6.5516 -6.5476 0.9749 0.9791 4.0539 4.0566 4.0852 4.1626 4.2195 4.2272 4.3024 4.3178 5.3717 5.4304 5.9133 5.9171 7.1901 7.2187 7.2315 7.2365 7.9162 7.9164 11.3328 11.4833 12.9019 12.9312 13.2232 13.4806 14.0680 14.1096 k =-0.5000 0.4994 0.1990 ( 2900 PWs) bands (ev): -9.3221 -9.3168 -9.2769 -9.2694 -8.2538 -8.2516 -7.7957 -7.7780 -7.7193 -7.6952 -6.6512 -6.6342 -6.6181 -6.6074 -6.5547 -6.5512 0.9364 0.9402 4.0564 4.0567 4.1519 4.1973 4.2295 4.2687 4.3787 4.3936 5.4754 5.5306 6.0403 6.0442 7.1146 7.1460 7.1607 7.1659 7.9168 7.9170 11.2993 11.4454 12.8668 12.8955 13.1813 13.4359 14.0185 14.0574 k =-0.5000 0.4994 0.1857 ( 2900 PWs) bands (ev): -9.3234 -9.3183 -9.2749 -9.2676 -8.2760 -8.2743 -7.7942 -7.7764 -7.7205 -7.6972 -6.6565 -6.6399 -6.6240 -6.6132 -6.5574 -6.5544 0.9002 0.9035 4.0563 4.0564 4.1940 4.2052 4.2688 4.3398 4.4579 4.4723 5.5765 5.6279 6.1658 6.1697 7.0357 7.0698 7.0867 7.0919 7.9173 7.9176 11.2684 11.4092 12.8364 12.8646 13.1417 13.3915 13.9702 14.0054 k =-0.5000 0.4994 0.1724 ( 2900 PWs) bands (ev): -9.3248 -9.3199 -9.2729 -9.2659 -8.2974 -8.2961 -7.7924 -7.7748 -7.7216 -7.6991 -6.6616 -6.6456 -6.6300 -6.6192 -6.5598 -6.5572 0.8663 0.8692 4.0559 4.0559 4.2045 4.2076 4.3421 4.4189 4.5396 4.5537 5.6742 5.7216 6.2884 6.2924 6.9539 6.9903 7.0100 7.0147 7.9179 7.9181 11.2399 11.3747 12.8109 12.8385 13.1046 13.3475 13.9235 13.9540 k =-0.5000 0.4994 0.1592 ( 2904 PWs) bands (ev): -9.3261 -9.3216 -9.2710 -9.2643 -8.3177 -8.3168 -7.7904 -7.7731 -7.7225 -7.7011 -6.6664 -6.6510 -6.6358 -6.6251 -6.5619 -6.5597 0.8348 0.8374 4.0554 4.0554 4.2076 4.2087 4.4251 4.5016 4.6237 4.6374 5.7682 5.8111 6.4066 6.4103 6.8703 6.9083 6.9312 6.9347 7.9184 7.9187 11.2140 11.3419 12.7901 12.8171 13.0703 13.3043 13.8787 13.9036 k =-0.5000 0.4994 0.1459 ( 2912 PWs) bands (ev): -9.3275 -9.3232 -9.2692 -9.2628 -8.3369 -8.3363 -7.7883 -7.7715 -7.7232 -7.7031 -6.6709 -6.6563 -6.6414 -6.6310 -6.5637 -6.5618 0.8057 0.8080 4.0549 4.0550 4.2089 4.2092 4.5120 4.5871 4.7099 4.7234 5.8576 5.8956 6.5168 6.5190 6.7881 6.8245 6.8528 6.8529 7.9189 7.9192 11.1905 11.3108 12.7739 12.8002 13.0390 13.2620 13.8361 13.8546 k =-0.5000 0.4994 0.1326 ( 2912 PWs) bands (ev): -9.3288 -9.3249 -9.2674 -9.2614 -8.3548 -8.3544 -7.7860 -7.7700 -7.7238 -7.7051 -6.6749 -6.6613 -6.6467 -6.6367 -6.5653 -6.5637 0.7791 0.7810 4.0545 4.0545 4.2094 4.2095 4.6015 4.6747 4.7982 4.8114 5.9418 5.9741 6.5947 6.6049 6.7248 6.7405 6.7751 6.7874 7.9194 7.9197 11.1694 11.2813 12.7621 12.7876 13.0109 13.2208 13.7961 13.8073 k =-0.5000 0.4994 0.1194 ( 2902 PWs) bands (ev): -9.3300 -9.3265 -9.2657 -9.2602 -8.3713 -8.3711 -7.7837 -7.7686 -7.7242 -7.7071 -6.6786 -6.6660 -6.6516 -6.6422 -6.5667 -6.5653 0.7549 0.7566 4.0540 4.0540 4.2096 4.2098 4.6931 4.7643 4.8884 4.9013 6.0198 6.0452 6.5633 6.6096 6.6571 6.6690 6.7869 6.7954 7.9198 7.9201 11.1507 11.2535 12.7543 12.7789 12.9861 13.1810 13.7589 13.7622 k =-0.5000 0.4994 0.1061 ( 2904 PWs) bands (ev): -9.3312 -9.3281 -9.2641 -9.2591 -8.3863 -8.3862 -7.7814 -7.7674 -7.7245 -7.7090 -6.6819 -6.6704 -6.6561 -6.6474 -6.5679 -6.5667 0.7332 0.7347 4.0536 4.0536 4.2096 4.2099 4.7863 4.8553 4.9802 4.9929 6.0900 6.1067 6.4807 6.5394 6.5728 6.5834 6.8703 6.8716 7.9203 7.9205 11.1344 11.2275 12.7505 12.7738 12.9647 13.1427 13.7198 13.7243 k =-0.5000 0.4994 0.0928 ( 2904 PWs) bands (ev): -9.3323 -9.3295 -9.2627 -9.2582 -8.3997 -8.3997 -7.7791 -7.7665 -7.7246 -7.7108 -6.6847 -6.6745 -6.6602 -6.6522 -6.5690 -6.5679 0.7141 0.7153 4.0532 4.0532 4.2096 4.2100 4.8809 4.9475 5.0735 5.0859 6.1492 6.1538 6.3918 6.4550 6.4914 6.4954 6.9551 6.9556 7.9206 7.9208 11.1204 11.2032 12.7501 12.7717 12.9467 13.1060 13.6806 13.6915 k =-0.5000 0.4994 0.0796 ( 2904 PWs) bands (ev): -9.3333 -9.3309 -9.2613 -9.2574 -8.4116 -8.4114 -7.7769 -7.7657 -7.7245 -7.7126 -6.6870 -6.6782 -6.6637 -6.6566 -6.5698 -6.5690 0.6975 0.6985 4.0529 4.0529 4.2096 4.2099 4.9763 5.0403 5.1679 5.1801 6.1751 6.1850 6.3095 6.3667 6.4123 6.4262 7.0330 7.0339 7.9210 7.9212 11.1089 11.1808 12.7527 12.7723 12.9319 13.0713 13.6453 13.6594 k =-0.5000 0.4994 0.0663 ( 2904 PWs) bands (ev): -9.3342 -9.3321 -9.2601 -9.2568 -8.4216 -8.4214 -7.7748 -7.7652 -7.7243 -7.7142 -6.6889 -6.6815 -6.6666 -6.6606 -6.5705 -6.5698 0.6834 0.6842 4.0526 4.0526 4.2095 4.2098 5.0719 5.1329 5.2633 5.2751 6.1534 6.1569 6.2515 6.2750 6.3596 6.3971 7.1018 7.1028 7.9213 7.9214 11.0999 11.1605 12.7579 12.7748 12.9205 13.0386 13.6143 13.6288 k =-0.5000 0.4994 0.0531 ( 2908 PWs) bands (ev): -9.3348 -9.3332 -9.2591 -9.2564 -8.4299 -8.4297 -7.7729 -7.7650 -7.7239 -7.7158 -6.6904 -6.6843 -6.6689 -6.6640 -6.5711 -6.5706 0.6719 0.6725 4.0523 4.0523 4.2095 4.2098 5.1667 5.2240 5.3590 5.3705 6.0776 6.0928 6.1791 6.1813 6.3651 6.4006 7.1599 7.1609 7.9215 7.9216 11.0935 11.1424 12.7648 12.7785 12.9123 13.0083 13.5883 13.6015 k =-0.5000 0.4994 0.0398 ( 2892 PWs) bands (ev): -9.3353 -9.3341 -9.2581 -9.2561 -8.4364 -8.4362 -7.7711 -7.7650 -7.7234 -7.7173 -6.6913 -6.6867 -6.6706 -6.6668 -6.5715 -6.5711 0.6629 0.6634 4.0521 4.0521 4.2095 4.2097 5.2590 5.3111 5.4543 5.4653 5.9910 6.0158 6.0875 6.0912 6.3893 6.4149 7.2062 7.2070 7.9217 7.9218 11.0898 11.1267 12.7727 12.7828 12.9076 12.9808 13.5680 13.5787 k =-0.5000 0.4994 0.0265 ( 2884 PWs) bands (ev): -9.3356 -9.3348 -9.2573 -9.2560 -8.4410 -8.4409 -7.7694 -7.7654 -7.7227 -7.7186 -6.6917 -6.6886 -6.6716 -6.6690 -6.5718 -6.5715 0.6565 0.6568 4.0520 4.0520 4.2094 4.2096 5.3451 5.3886 5.5472 5.5573 5.9109 5.9369 5.9967 6.0019 6.4117 6.4280 7.2399 7.2405 7.9218 7.9219 11.0889 11.1136 12.7801 12.7866 12.9070 12.9566 13.5536 13.5612 k =-0.5000 0.4994 0.0133 ( 2876 PWs) bands (ev): -9.3357 -9.3353 -9.2567 -9.2560 -8.4437 -8.4437 -7.7681 -7.7660 -7.7219 -7.7198 -6.6917 -6.6901 -6.6719 -6.6707 -6.5719 -6.5717 0.6527 0.6529 4.0519 4.0519 4.2095 4.2095 5.4167 5.4441 5.6313 5.6392 5.8502 5.8675 5.9178 5.9215 6.4275 6.4355 7.2604 7.2607 7.9219 7.9220 11.0908 11.1032 12.7859 12.7889 12.9113 12.9364 13.5457 13.5496 k =-0.5000 0.4994 0.0000 ( 2876 PWs) bands (ev): -9.3356 -9.3356 -9.2563 -9.2563 -8.4446 -8.4446 -7.7669 -7.7669 -7.7209 -7.7209 -6.6911 -6.6911 -6.6716 -6.6716 -6.5719 -6.5719 0.6515 0.6515 4.0519 4.0519 4.2095 4.2095 5.4561 5.4561 5.6781 5.6781 5.8292 5.8292 5.8812 5.8812 6.4355 6.4355 7.2674 7.2674 7.9220 7.9220 11.0956 11.0956 12.7889 12.7889 12.9212 12.9212 13.5444 13.5444 k = 0.0000 0.0000 0.5040 ( 2890 PWs) bands (ev): -9.2663 -9.2663 -9.2575 -9.2575 -8.6520 -8.6520 -8.2172 -8.2172 -7.8503 -7.8503 -6.7010 -6.7010 -6.6737 -6.6737 -6.6138 -6.6138 1.0242 1.0242 3.9848 3.9848 5.2504 5.2504 5.3876 5.3876 6.2319 6.2319 6.3329 6.3329 6.8028 6.8028 7.6840 7.6840 7.7741 7.7741 7.9513 7.9513 9.9636 9.9636 11.4199 11.4199 12.5955 12.5955 13.2142 13.2142 k =-0.0093 0.0092 0.5040 ( 2886 PWs) bands (ev): -9.2664 -9.2664 -9.2575 -9.2575 -8.6513 -8.6513 -8.2168 -8.2168 -7.8501 -7.8501 -6.7009 -6.7009 -6.6737 -6.6737 -6.6138 -6.6138 1.0236 1.0236 3.9849 3.9849 5.2508 5.2508 5.3869 5.3869 6.2291 6.2291 6.3321 6.3321 6.8054 6.8054 7.6794 7.6794 7.7702 7.7702 7.9494 7.9494 9.9673 9.9673 11.4240 11.4240 12.5947 12.5947 13.2144 13.2144 k =-0.0185 0.0185 0.5040 ( 2888 PWs) bands (ev): -9.2667 -9.2667 -9.2576 -9.2576 -8.6490 -8.6490 -8.2157 -8.2157 -7.8496 -7.8496 -6.7006 -6.7006 -6.6736 -6.6736 -6.6138 -6.6138 1.0218 1.0218 3.9851 3.9851 5.2508 5.2508 5.3859 5.3859 6.2203 6.2203 6.3297 6.3297 6.8131 6.8131 7.6655 7.6655 7.7590 7.7590 7.9435 7.9435 9.9783 9.9783 11.4362 11.4362 12.5924 12.5924 13.2150 13.2150 k =-0.0278 0.0277 0.5040 ( 2884 PWs) bands (ev): -9.2671 -9.2671 -9.2578 -9.2578 -8.6452 -8.6452 -8.2138 -8.2138 -7.8488 -7.8488 -6.7002 -6.7002 -6.6734 -6.6734 -6.6138 -6.6138 1.0189 1.0189 3.9855 3.9855 5.2482 5.2482 5.3871 5.3871 6.2052 6.2052 6.3263 6.3263 6.8256 6.8256 7.6423 7.6423 7.7411 7.7411 7.9337 7.9337 9.9961 9.9961 11.4565 11.4565 12.5884 12.5884 13.2162 13.2162 k =-0.0370 0.0370 0.5040 ( 2892 PWs) bands (ev): -9.2678 -9.2678 -9.2580 -9.2580 -8.6399 -8.6399 -8.2112 -8.2112 -7.8477 -7.8477 -6.6997 -6.6997 -6.6731 -6.6731 -6.6139 -6.6139 1.0149 1.0149 3.9861 3.9861 5.2395 5.2395 5.3942 5.3942 6.1834 6.1834 6.3221 6.3221 6.8426 6.8426 7.6097 7.6097 7.7177 7.7177 7.9200 7.9200 10.0200 10.0200 11.4847 11.4847 12.5826 12.5826 13.2182 13.2182 k =-0.0463 0.0462 0.5040 ( 2892 PWs) bands (ev): -9.2686 -9.2686 -9.2582 -9.2582 -8.6331 -8.6331 -8.2079 -8.2079 -7.8463 -7.8463 -6.6990 -6.6990 -6.6727 -6.6727 -6.6139 -6.6139 1.0099 1.0099 3.9868 3.9868 5.2225 5.2225 5.4097 5.4097 6.1549 6.1549 6.3174 6.3174 6.8636 6.8636 7.5680 7.5680 7.6896 7.6896 7.9023 7.9023 10.0491 10.0491 11.5205 11.5205 12.5747 12.5747 13.2214 13.2214 k =-0.0556 0.0555 0.5040 ( 2888 PWs) bands (ev): -9.2695 -9.2695 -9.2586 -9.2586 -8.6249 -8.6249 -8.2039 -8.2039 -7.8445 -7.8445 -6.6982 -6.6982 -6.6722 -6.6722 -6.6139 -6.6139 1.0041 1.0041 3.9877 3.9877 5.1972 5.1972 5.4338 5.4338 6.1196 6.1196 6.3121 6.3121 6.8881 6.8881 7.5180 7.5180 7.6578 7.6578 7.8807 7.8807 10.0825 10.0825 11.5636 11.5636 12.5645 12.5645 13.2261 13.2261 k =-0.0648 0.0647 0.5040 ( 2880 PWs) bands (ev): -9.2705 -9.2705 -9.2589 -9.2589 -8.6153 -8.6153 -8.1991 -8.1991 -7.8425 -7.8425 -6.6972 -6.6972 -6.6715 -6.6715 -6.6138 -6.6138 0.9976 0.9976 3.9888 3.9888 5.1651 5.1651 5.4655 5.4655 6.0781 6.0781 6.3057 6.3057 6.9156 6.9156 7.4605 7.4605 7.6230 7.6230 7.8551 7.8551 10.1193 10.1193 11.6136 11.6136 12.5520 12.5520 13.2328 13.2328 k =-0.0741 0.0740 0.5040 ( 2888 PWs) bands (ev): -9.2717 -9.2717 -9.2594 -9.2594 -8.6044 -8.6044 -8.1937 -8.1937 -7.8402 -7.8402 -6.6962 -6.6962 -6.6708 -6.6708 -6.6138 -6.6138 0.9906 0.9906 3.9899 3.9899 5.1275 5.1275 5.5035 5.5035 6.0306 6.0306 6.2979 6.2979 6.9455 6.9455 7.3966 7.3966 7.5859 7.5859 7.8255 7.8255 10.1588 10.1588 11.6696 11.6696 12.5372 12.5372 13.2417 13.2417 k =-0.0833 0.0832 0.5040 ( 2884 PWs) bands (ev): -9.2729 -9.2729 -9.2599 -9.2599 -8.5921 -8.5921 -8.1877 -8.1877 -7.8377 -7.8377 -6.6950 -6.6950 -6.6698 -6.6698 -6.6136 -6.6136 0.9832 0.9832 3.9912 3.9912 5.0855 5.0855 5.5468 5.5468 5.9778 5.9778 6.2880 6.2880 6.9775 6.9775 7.3271 7.3271 7.5473 7.5473 7.7920 7.7920 10.2001 10.2001 11.7311 11.7311 12.5207 12.5207 13.2532 13.2532 k =-0.0926 0.0925 0.5040 ( 2892 PWs) bands (ev): -9.2742 -9.2742 -9.2604 -9.2604 -8.5786 -8.5786 -8.1810 -8.1810 -7.8349 -7.8349 -6.6939 -6.6939 -6.6687 -6.6687 -6.6133 -6.6133 0.9757 0.9757 3.9926 3.9926 5.0400 5.0400 5.5945 5.5945 5.9203 5.9203 6.2755 6.2755 7.0109 7.0109 7.2529 7.2529 7.5081 7.5081 7.7545 7.7545 10.2429 10.2429 11.7967 11.7967 12.5031 12.5031 13.2676 13.2676 k =-0.1019 0.1017 0.5040 ( 2892 PWs) bands (ev): -9.2756 -9.2756 -9.2611 -9.2611 -8.5638 -8.5638 -8.1736 -8.1736 -7.8319 -7.8319 -6.6926 -6.6926 -6.6673 -6.6673 -6.6129 -6.6129 0.9682 0.9682 3.9941 3.9941 4.9917 4.9917 5.6453 5.6453 5.8591 5.8591 6.2597 6.2597 7.0454 7.0454 7.1749 7.1749 7.4694 7.4694 7.7131 7.7131 10.2865 10.2865 11.8649 11.8649 12.4859 12.4859 13.2848 13.2848 k =-0.1111 0.1110 0.5040 ( 2894 PWs) bands (ev): -9.2770 -9.2770 -9.2617 -9.2617 -8.5480 -8.5480 -8.1657 -8.1657 -7.8287 -7.8287 -6.6914 -6.6914 -6.6657 -6.6657 -6.6124 -6.6124 0.9609 0.9609 3.9957 3.9957 4.9410 4.9410 5.6953 5.6953 5.7980 5.7980 6.2400 6.2400 7.0791 7.0791 7.0951 7.0951 7.4320 7.4320 7.6680 7.6680 10.3307 10.3307 11.9334 11.9334 12.4714 12.4714 13.3049 13.3049 k =-0.1204 0.1202 0.5040 ( 2890 PWs) bands (ev): -9.2784 -9.2784 -9.2624 -9.2624 -8.5310 -8.5310 -8.1572 -8.1572 -7.8254 -7.8254 -6.6900 -6.6900 -6.6638 -6.6638 -6.6117 -6.6117 0.9540 0.9540 3.9973 3.9973 4.8886 4.8886 5.7025 5.7025 5.7788 5.7788 6.2157 6.2157 7.0086 7.0086 7.1172 7.1172 7.3970 7.3970 7.6193 7.6193 10.3753 10.3753 11.9989 11.9989 12.4631 12.4631 13.3278 13.3278 k =-0.1296 0.1295 0.5040 ( 2886 PWs) bands (ev): -9.2799 -9.2799 -9.2632 -9.2632 -8.5131 -8.5131 -8.1482 -8.1482 -7.8219 -7.8219 -6.6887 -6.6887 -6.6617 -6.6617 -6.6109 -6.6109 0.9477 0.9477 3.9990 3.9990 4.8346 4.8346 5.6393 5.6393 5.8286 5.8286 6.1863 6.1863 6.9220 6.9220 7.1531 7.1531 7.3654 7.3654 7.5674 7.5674 10.4200 10.4200 12.0563 12.0563 12.4662 12.4662 13.3533 13.3533 k =-0.1389 0.1387 0.5040 ( 2894 PWs) bands (ev): -9.2813 -9.2813 -9.2640 -9.2640 -8.4942 -8.4942 -8.1387 -8.1387 -7.8182 -7.8182 -6.6873 -6.6873 -6.6593 -6.6593 -6.6098 -6.6098 0.9421 0.9421 4.0008 4.0008 4.7796 4.7796 5.5656 5.5656 5.8874 5.8874 6.1512 6.1512 6.8333 6.8333 7.1891 7.1891 7.3379 7.3379 7.5126 7.5126 10.4648 10.4648 12.0997 12.0997 12.4869 12.4869 13.3811 13.3811 k =-0.1481 0.1480 0.5040 ( 2898 PWs) bands (ev): -9.2828 -9.2828 -9.2649 -9.2649 -8.4744 -8.4744 -8.1287 -8.1287 -7.8145 -7.8145 -6.6858 -6.6858 -6.6566 -6.6566 -6.6086 -6.6086 0.9376 0.9376 4.0025 4.0025 4.7237 4.7237 5.4884 5.4884 5.9473 5.9473 6.1103 6.1103 6.7430 6.7430 7.2249 7.2249 7.3152 7.3152 7.4557 7.4557 10.5095 10.5095 12.1259 12.1259 12.5288 12.5288 13.4110 13.4110 k =-0.1574 0.1572 0.5040 ( 2898 PWs) bands (ev): -9.2842 -9.2842 -9.2658 -9.2658 -8.4538 -8.4538 -8.1183 -8.1183 -7.8106 -7.8106 -6.6843 -6.6843 -6.6537 -6.6537 -6.6071 -6.6071 0.9341 0.9341 4.0043 4.0043 4.6673 4.6673 5.4092 5.4092 6.0061 6.0061 6.0635 6.0635 6.6513 6.6513 7.2603 7.2603 7.2976 7.2976 7.3976 7.3976 10.5541 10.5541 12.1373 12.1373 12.5899 12.5899 13.4426 13.4426 k =-0.1667 0.1665 0.5040 ( 2898 PWs) bands (ev): -9.2856 -9.2856 -9.2667 -9.2667 -8.4325 -8.4325 -8.1074 -8.1074 -7.8067 -7.8067 -6.6826 -6.6826 -6.6506 -6.6506 -6.6055 -6.6055 0.9320 0.9320 4.0060 4.0060 4.6105 4.6105 5.3285 5.3285 6.0109 6.0109 6.0623 6.0623 6.5585 6.5585 7.2848 7.2848 7.2949 7.2949 7.3402 7.3402 10.5984 10.5984 12.1396 12.1396 12.6647 12.6647 13.4754 13.4754 k =-0.1759 0.1757 0.5040 ( 2898 PWs) bands (ev): -9.2869 -9.2869 -9.2677 -9.2677 -8.4106 -8.4106 -8.0962 -8.0962 -7.8028 -7.8028 -6.6807 -6.6807 -6.6473 -6.6473 -6.6035 -6.6035 0.9312 0.9312 4.0077 4.0077 4.5536 4.5536 5.2469 5.2469 5.9531 5.9531 6.1130 6.1130 6.4650 6.4650 7.2726 7.2726 7.2872 7.2873 7.3308 7.3308 10.6425 10.6425 12.1385 12.1385 12.7479 12.7479 13.5093 13.5093 k =-0.1852 0.1850 0.5040 ( 2892 PWs) bands (ev): -9.2882 -9.2882 -9.2687 -9.2687 -8.3881 -8.3881 -8.0846 -8.0846 -7.7988 -7.7988 -6.6786 -6.6786 -6.6438 -6.6438 -6.6014 -6.6014 0.9321 0.9321 4.0093 4.0093 4.4968 4.4968 5.1647 5.1647 5.8905 5.8905 6.1560 6.1560 6.3709 6.3709 7.2278 7.2278 7.2781 7.2781 7.3639 7.3639 10.6863 10.6863 12.1377 12.1377 12.8358 12.8358 13.5437 13.5438 k =-0.1944 0.1942 0.5040 ( 2900 PWs) bands (ev): -9.2895 -9.2895 -9.2698 -9.2698 -8.3651 -8.3651 -8.0727 -8.0727 -7.7948 -7.7948 -6.6764 -6.6764 -6.6401 -6.6401 -6.5990 -6.5990 0.9347 0.9347 4.0108 4.0108 4.4402 4.4402 5.0822 5.0822 5.8238 5.8238 6.1876 6.1876 6.2765 6.2765 7.1831 7.1831 7.2802 7.2802 7.3966 7.3966 10.7299 10.7299 12.1398 12.1398 12.9261 12.9261 13.5785 13.5785 k =-0.2037 0.2035 0.5040 ( 2900 PWs) bands (ev): -9.2907 -9.2907 -9.2709 -9.2709 -8.3418 -8.3418 -8.0606 -8.0606 -7.7908 -7.7908 -6.6739 -6.6739 -6.6364 -6.6364 -6.5963 -6.5963 0.9391 0.9391 4.0122 4.0122 4.3840 4.3840 4.9999 4.9999 5.7535 5.7535 6.1811 6.1811 6.2051 6.2051 7.1489 7.1489 7.2868 7.2868 7.4285 7.4285 10.7733 10.7733 12.1464 12.1464 13.0170 13.0170 13.6132 13.6132 k =-0.2130 0.2127 0.5040 ( 2900 PWs) bands (ev): -9.2919 -9.2919 -9.2720 -9.2720 -8.3182 -8.3182 -8.0481 -8.0481 -7.7869 -7.7869 -6.6710 -6.6710 -6.6325 -6.6325 -6.5933 -6.5933 0.9455 0.9455 4.0134 4.0134 4.3283 4.3283 4.9181 4.9181 5.6804 5.6804 6.0873 6.0873 6.2026 6.2026 7.1287 7.1287 7.2973 7.2973 7.4595 7.4595 10.8167 10.8167 12.1585 12.1585 13.1071 13.1071 13.6477 13.6477 k =-0.2222 0.2220 0.5040 ( 2898 PWs) bands (ev): -9.2930 -9.2930 -9.2732 -9.2732 -8.2945 -8.2945 -8.0354 -8.0354 -7.7829 -7.7829 -6.6680 -6.6680 -6.6286 -6.6286 -6.5900 -6.5900 0.9539 0.9539 4.0144 4.0144 4.2734 4.2734 4.8369 4.8369 5.6051 5.6051 5.9933 5.9934 6.1801 6.1801 7.1243 7.1243 7.3111 7.3112 7.4895 7.4895 10.8601 10.8601 12.1767 12.1767 13.1952 13.1952 13.6822 13.6822 k =-0.2315 0.2312 0.5040 ( 2894 PWs) bands (ev): -9.2941 -9.2941 -9.2744 -9.2744 -8.2707 -8.2707 -8.0225 -8.0225 -7.7790 -7.7790 -6.6646 -6.6646 -6.6246 -6.6246 -6.5864 -6.5864 0.9644 0.9644 4.0149 4.0149 4.2194 4.2194 4.7568 4.7568 5.5282 5.5283 5.9000 5.9000 6.1373 6.1373 7.1355 7.1355 7.3278 7.3278 7.5185 7.5185 10.9038 10.9038 12.2014 12.2014 13.2801 13.2801 13.7169 13.7169 k =-0.2407 0.2405 0.5040 ( 2894 PWs) bands (ev): -9.2951 -9.2951 -9.2757 -9.2757 -8.2470 -8.2470 -8.0094 -8.0094 -7.7751 -7.7751 -6.6609 -6.6609 -6.6207 -6.6207 -6.5826 -6.5826 0.9772 0.9772 4.0148 4.0148 4.1667 4.1667 4.6780 4.6780 5.4503 5.4503 5.8074 5.8074 6.0766 6.0766 7.1598 7.1598 7.3470 7.3470 7.5464 7.5464 10.9481 10.9481 12.2327 12.2327 13.3604 13.3604 13.7525 13.7525 k =-0.2500 0.2497 0.5040 ( 2896 PWs) bands (ev): -9.2961 -9.2961 -9.2770 -9.2770 -8.2234 -8.2234 -7.9961 -7.9961 -7.7712 -7.7712 -6.6569 -6.6569 -6.6167 -6.6167 -6.5784 -6.5784 0.9922 0.9922 4.0134 4.0134 4.1160 4.1160 4.6007 4.6007 5.3719 5.3719 5.7159 5.7159 6.0011 6.0011 7.1941 7.1941 7.3683 7.3683 7.5733 7.5733 10.9932 10.9932 12.2706 12.2706 13.4344 13.4344 13.7903 13.7903 k =-0.2593 0.2590 0.5040 ( 2892 PWs) bands (ev): -9.2970 -9.2970 -9.2783 -9.2783 -8.2003 -8.2003 -7.9826 -7.9826 -7.7673 -7.7673 -6.6527 -6.6527 -6.6128 -6.6128 -6.5739 -6.5739 1.0096 1.0096 4.0080 4.0080 4.0699 4.0699 4.5252 4.5252 5.2934 5.2934 5.6256 5.6256 5.9140 5.9140 7.2351 7.2351 7.3913 7.3913 7.5991 7.5991 11.0394 11.0394 12.3148 12.3148 13.5006 13.5006 13.8318 13.8318 k =-0.2685 0.2682 0.5040 ( 2898 PWs) bands (ev): -9.2979 -9.2979 -9.2796 -9.2796 -8.1776 -8.1776 -7.9688 -7.9688 -7.7635 -7.7635 -6.6482 -6.6482 -6.6090 -6.6090 -6.5692 -6.5692 1.0294 1.0294 3.9884 3.9884 4.0388 4.0388 4.4517 4.4517 5.2152 5.2152 5.5368 5.5368 5.8180 5.8180 7.2803 7.2803 7.4159 7.4159 7.6238 7.6238 11.0870 11.0870 12.3651 12.3651 13.5576 13.5576 13.8783 13.8783 k =-0.2778 0.2774 0.5040 ( 2896 PWs) bands (ev): -9.2987 -9.2987 -9.2810 -9.2810 -8.1556 -8.1555 -7.9549 -7.9549 -7.7597 -7.7596 -6.6434 -6.6434 -6.6051 -6.6051 -6.5641 -6.5641 1.0516 1.0516 3.9492 3.9492 4.0277 4.0277 4.3807 4.3807 5.1378 5.1378 5.4497 5.4497 5.7152 5.7152 7.3276 7.3276 7.4416 7.4416 7.6474 7.6474 11.1361 11.1361 12.4211 12.4211 13.6049 13.6049 13.9304 13.9304 k =-0.2870 0.2867 0.5040 ( 2900 PWs) bands (ev): -9.2994 -9.2994 -9.2824 -9.2824 -8.1343 -8.1343 -7.9407 -7.9407 -7.7558 -7.7558 -6.6384 -6.6384 -6.6014 -6.6014 -6.5589 -6.5589 1.0763 1.0763 3.9041 3.9041 4.0228 4.0228 4.3126 4.3126 5.0614 5.0614 5.3645 5.3645 5.6073 5.6073 7.3755 7.3755 7.4682 7.4682 7.6699 7.6699 11.1869 11.1869 12.4823 12.4823 13.6435 13.6435 13.9872 13.9872 k =-0.2963 0.2959 0.5040 ( 2900 PWs) bands (ev): -9.3001 -9.3001 -9.2838 -9.2838 -8.1140 -8.1140 -7.9263 -7.9263 -7.7519 -7.7519 -6.6332 -6.6332 -6.5977 -6.5977 -6.5534 -6.5534 1.1034 1.1034 3.8585 3.8585 4.0182 4.0182 4.2480 4.2480 4.9863 4.9863 5.2814 5.2814 5.4956 5.4956 7.4229 7.4229 7.4956 7.4956 7.6913 7.6913 11.2395 11.2395 12.5484 12.5484 13.6750 13.6750 14.0475 14.0475 k =-0.3056 0.3052 0.5040 ( 2896 PWs) bands (ev): -9.3008 -9.3008 -9.2852 -9.2852 -8.0947 -8.0947 -7.9116 -7.9116 -7.7480 -7.7480 -6.6278 -6.6278 -6.5940 -6.5940 -6.5478 -6.5478 1.1330 1.1330 3.8135 3.8135 4.0116 4.0116 4.1884 4.1884 4.9129 4.9129 5.2006 5.2006 5.3812 5.3812 7.4689 7.4689 7.5235 7.5235 7.7116 7.7116 11.2938 11.2938 12.6189 12.6189 13.7015 13.7015 14.1093 14.1093 k =-0.3148 0.3144 0.5040 ( 2904 PWs) bands (ev): -9.3014 -9.3014 -9.2866 -9.2866 -8.0767 -8.0767 -7.8967 -7.8967 -7.7441 -7.7441 -6.6223 -6.6223 -6.5904 -6.5904 -6.5420 -6.5420 1.1651 1.1651 3.7697 3.7697 4.0000 4.0000 4.1364 4.1364 4.8414 4.8414 5.1222 5.1222 5.2649 5.2649 7.5128 7.5128 7.5518 7.5518 7.7308 7.7308 11.3497 11.3497 12.6932 12.6932 13.7245 13.7245 14.1714 14.1714 k =-0.3241 0.3237 0.5040 ( 2904 PWs) bands (ev): -9.3020 -9.3020 -9.2881 -9.2881 -8.0599 -8.0599 -7.8815 -7.8815 -7.7402 -7.7402 -6.6167 -6.6167 -6.5869 -6.5869 -6.5362 -6.5362 1.1996 1.1996 3.7271 3.7271 3.9786 3.9786 4.0968 4.0968 4.7721 4.7721 5.0464 5.0464 5.1476 5.1476 7.5542 7.5542 7.5804 7.5804 7.7490 7.7490 11.4070 11.4070 12.7710 12.7710 13.7454 13.7454 14.2325 14.2325 k =-0.3333 0.3329 0.5040 ( 2908 PWs) bands (ev): -9.3025 -9.3025 -9.2895 -9.2895 -8.0446 -8.0445 -7.8661 -7.8661 -7.7362 -7.7362 -6.6111 -6.6111 -6.5835 -6.5835 -6.5302 -6.5302 1.2365 1.2365 3.6859 3.6859 3.9447 3.9447 4.0723 4.0723 4.7051 4.7051 4.9727 4.9727 5.0306 5.0306 7.5923 7.5923 7.6097 7.6097 7.7661 7.7661 11.4653 11.4653 12.8518 12.8518 13.7652 13.7652 14.2918 14.2918 k =-0.3426 0.3422 0.5040 ( 2912 PWs) bands (ev): -9.3030 -9.3030 -9.2909 -9.2909 -8.0305 -8.0305 -7.8506 -7.8506 -7.7322 -7.7321 -6.6055 -6.6055 -6.5801 -6.5801 -6.5243 -6.5243 1.2757 1.2757 3.6461 3.6461 3.9024 3.9024 4.0589 4.0589 4.6407 4.6407 4.8956 4.8956 4.9201 4.9201 7.6262 7.6262 7.6403 7.6403 7.7821 7.7821 11.5244 11.5244 12.9350 12.9350 13.7845 13.7845 14.3489 14.3489 k =-0.3519 0.3514 0.5040 ( 2912 PWs) bands (ev): -9.3034 -9.3034 -9.2923 -9.2923 -8.0179 -8.0179 -7.8351 -7.8351 -7.7281 -7.7281 -6.6000 -6.6000 -6.5767 -6.5767 -6.5184 -6.5184 1.3170 1.3170 3.6078 3.6078 3.8573 3.8573 4.0511 4.0511 4.5790 4.5790 4.7891 4.7891 4.8429 4.8429 7.6560 7.6560 7.6716 7.6716 7.7972 7.7972 11.5836 11.5836 13.0201 13.0201 13.8039 13.8039 14.4032 14.4032 k =-0.3611 0.3607 0.5040 ( 2912 PWs) bands (ev): -9.3038 -9.3038 -9.2936 -9.2936 -8.0066 -8.0066 -7.8197 -7.8197 -7.7241 -7.7241 -6.5945 -6.5945 -6.5735 -6.5735 -6.5125 -6.5125 1.3605 1.3605 3.5710 3.5710 3.8125 3.8125 4.0458 4.0458 4.5202 4.5202 4.6741 4.6741 4.7789 4.7789 7.6834 7.6834 7.7018 7.7018 7.8112 7.8112 11.6426 11.6426 13.1067 13.1067 13.8235 13.8235 14.4546 14.4546 k =-0.3704 0.3699 0.5040 ( 2908 PWs) bands (ev): -9.3042 -9.3042 -9.2949 -9.2949 -7.9966 -7.9966 -7.8046 -7.8046 -7.7201 -7.7201 -6.5892 -6.5892 -6.5703 -6.5703 -6.5067 -6.5067 1.4059 1.4059 3.5357 3.5357 3.7695 3.7695 4.0415 4.0415 4.4645 4.4645 4.5597 4.5597 4.7196 4.7196 7.7092 7.7092 7.7301 7.7301 7.8242 7.8242 11.7008 11.7008 13.1941 13.1941 13.8437 13.8437 14.5027 14.5027 k =-0.3796 0.3792 0.5040 ( 2912 PWs) bands (ev): -9.3045 -9.3045 -9.2962 -9.2962 -7.9877 -7.9877 -7.7898 -7.7898 -7.7161 -7.7161 -6.5841 -6.5841 -6.5672 -6.5672 -6.5011 -6.5011 1.4531 1.4531 3.5021 3.5021 3.7288 3.7288 4.0378 4.0378 4.4119 4.4119 4.4473 4.4473 4.6644 4.6644 7.7337 7.7337 7.7560 7.7560 7.8363 7.8363 11.7576 11.7576 13.2818 13.2818 13.8645 13.8645 14.5474 14.5474 k =-0.3889 0.3884 0.5040 ( 2906 PWs) bands (ev): -9.3048 -9.3048 -9.2974 -9.2974 -7.9799 -7.9799 -7.7756 -7.7756 -7.7122 -7.7122 -6.5793 -6.5793 -6.5643 -6.5643 -6.4957 -6.4957 1.5017 1.5017 3.4701 3.4701 3.6909 3.6909 4.0341 4.0341 4.3371 4.3371 4.3632 4.3632 4.6133 4.6133 7.7569 7.7569 7.7795 7.7795 7.8474 7.8474 11.8124 11.8124 13.3691 13.3691 13.8860 13.8860 14.5886 14.5886 k =-0.3981 0.3977 0.5040 ( 2912 PWs) bands (ev): -9.3051 -9.3051 -9.2985 -9.2985 -7.9732 -7.9732 -7.7620 -7.7620 -7.7085 -7.7084 -6.5747 -6.5747 -6.5614 -6.5614 -6.4905 -6.4905 1.5515 1.5515 3.4397 3.4397 3.6560 3.6560 4.0303 4.0303 4.2307 4.2307 4.3174 4.3174 4.5664 4.5664 7.7787 7.7787 7.8006 7.8006 7.8576 7.8576 11.8648 11.8648 13.4552 13.4552 13.9079 13.9079 14.6261 14.6261 k =-0.4074 0.4069 0.5040 ( 2900 PWs) bands (ev): -9.3053 -9.3053 -9.2996 -9.2996 -7.9673 -7.9673 -7.7493 -7.7492 -7.7048 -7.7048 -6.5705 -6.5705 -6.5587 -6.5587 -6.4856 -6.4856 1.6020 1.6020 3.4110 3.4110 3.6241 3.6241 4.0263 4.0263 4.1283 4.1283 4.2753 4.2753 4.5238 4.5238 7.7988 7.7988 7.8196 7.8196 7.8668 7.8668 11.9141 11.9141 13.5394 13.5394 13.9300 13.9300 14.6600 14.6600 k =-0.4167 0.4162 0.5040 ( 2912 PWs) bands (ev): -9.3055 -9.3055 -9.3006 -9.3006 -7.9623 -7.9623 -7.7374 -7.7374 -7.7013 -7.7013 -6.5666 -6.5666 -6.5561 -6.5561 -6.4810 -6.4810 1.6527 1.6527 3.3840 3.3840 3.5953 3.5953 4.0198 4.0198 4.0332 4.0332 4.2369 4.2369 4.4855 4.4855 7.8173 7.8173 7.8365 7.8365 7.8752 7.8752 11.9600 11.9600 13.6208 13.6208 13.9522 13.9522 14.6902 14.6902 k =-0.4259 0.4254 0.5040 ( 2916 PWs) bands (ev): -9.3057 -9.3057 -9.3015 -9.3015 -7.9580 -7.9580 -7.7267 -7.7266 -7.6981 -7.6980 -6.5632 -6.5632 -6.5536 -6.5536 -6.4768 -6.4768 1.7030 1.7030 3.3587 3.3587 3.5696 3.5696 3.9380 3.9380 4.0188 4.0188 4.2023 4.2023 4.4517 4.4517 7.8338 7.8338 7.8514 7.8514 7.8827 7.8827 12.0020 12.0020 13.6985 13.6985 13.9740 13.9740 14.7166 14.7166 k =-0.4352 0.4347 0.5040 ( 2916 PWs) bands (ev): -9.3058 -9.3058 -9.3024 -9.3024 -7.9543 -7.9543 -7.7171 -7.7171 -7.6950 -7.6949 -6.5601 -6.5601 -6.5513 -6.5513 -6.4730 -6.4730 1.7520 1.7520 3.3351 3.3351 3.5470 3.5470 3.8530 3.8530 4.0143 4.0143 4.1716 4.1716 4.4222 4.4222 7.8483 7.8483 7.8646 7.8646 7.8894 7.8894 12.0398 12.0398 13.7713 13.7713 13.9950 13.9950 14.7392 14.7392 k =-0.4444 0.4439 0.5040 ( 2916 PWs) bands (ev): -9.3059 -9.3059 -9.3031 -9.3031 -7.9513 -7.9513 -7.7088 -7.7088 -7.6920 -7.6920 -6.5575 -6.5575 -6.5492 -6.5492 -6.4696 -6.4696 1.7989 1.7989 3.3131 3.3131 3.5275 3.5275 3.7759 3.7759 4.0100 4.0100 4.1448 4.1448 4.3971 4.3971 7.8607 7.8607 7.8761 7.8761 7.8953 7.8953 12.0730 12.0730 13.8382 13.8382 14.0146 14.0146 14.7580 14.7580 k =-0.4537 0.4532 0.5040 ( 2904 PWs) bands (ev): -9.3060 -9.3060 -9.3037 -9.3037 -7.9488 -7.9488 -7.7020 -7.7020 -7.6891 -7.6891 -6.5554 -6.5554 -6.5473 -6.5473 -6.4666 -6.4666 1.8425 1.8425 3.2930 3.2930 3.5110 3.5110 3.7080 3.7080 4.0059 4.0059 4.1221 4.1221 4.3762 4.3762 7.8708 7.8708 7.8860 7.8860 7.9004 7.9004 12.1014 12.1014 13.8978 13.8978 14.0326 14.0326 14.7731 14.7731 k =-0.4630 0.4624 0.5040 ( 2904 PWs) bands (ev): -9.3061 -9.3061 -9.3043 -9.3043 -7.9469 -7.9469 -7.6969 -7.6968 -7.6863 -7.6862 -6.5536 -6.5536 -6.5457 -6.5457 -6.4642 -6.4642 1.8812 1.8812 3.2748 3.2748 3.4976 3.4976 3.6508 3.6508 4.0022 4.0022 4.1034 4.1034 4.3594 4.3594 7.8787 7.8787 7.8944 7.8944 7.9046 7.9046 12.1249 12.1249 13.9489 13.9489 14.0482 14.0482 14.7847 14.7847 k =-0.4722 0.4717 0.5040 ( 2896 PWs) bands (ev): -9.3061 -9.3061 -9.3047 -9.3047 -7.9454 -7.9454 -7.6933 -7.6933 -7.6835 -7.6835 -6.5523 -6.5523 -6.5444 -6.5444 -6.4623 -6.4623 1.9137 1.9137 3.2591 3.2591 3.4871 3.4871 3.6053 3.6053 3.9990 3.9990 4.0888 4.0888 4.3466 4.3466 7.8846 7.8846 7.9009 7.9009 7.9081 7.9081 12.1433 12.1433 13.9901 13.9901 14.0613 14.0613 14.7930 14.7930 k =-0.4815 0.4809 0.5040 ( 2888 PWs) bands (ev): -9.3061 -9.3061 -9.3050 -9.3050 -7.9443 -7.9443 -7.6911 -7.6911 -7.6811 -7.6811 -6.5514 -6.5514 -6.5434 -6.5434 -6.4609 -6.4609 1.9384 1.9384 3.2467 3.2467 3.4797 3.4797 3.5725 3.5725 3.9966 3.9966 4.0784 4.0784 4.3375 4.3375 7.8887 7.8887 7.9056 7.9056 7.9107 7.9107 12.1565 12.1565 14.0201 14.0201 14.0713 14.0713 14.7984 14.7984 k =-0.4907 0.4902 0.5040 ( 2884 PWs) bands (ev): -9.3061 -9.3061 -9.3053 -9.3052 -7.9437 -7.9437 -7.6899 -7.6899 -7.6795 -7.6795 -6.5508 -6.5508 -6.5428 -6.5428 -6.4600 -6.4600 1.9539 1.9539 3.2387 3.2387 3.4751 3.4751 3.5528 3.5528 3.9951 3.9951 4.0721 4.0721 4.3321 4.3321 7.8911 7.8911 7.9083 7.9083 7.9125 7.9125 12.1644 12.1644 14.0382 14.0382 14.0779 14.0779 14.8014 14.8014 k =-0.5000 0.4994 0.5040 ( 2872 PWs) bands (ev): -9.3060 -9.3060 -9.3053 -9.3053 -7.9435 -7.9435 -7.6896 -7.6896 -7.6790 -7.6790 -6.5506 -6.5506 -6.5426 -6.5426 -6.4597 -6.4597 1.9591 1.9591 3.2359 3.2359 3.4736 3.4736 3.5462 3.5462 3.9946 3.9946 4.0700 4.0700 4.3304 4.3304 7.8919 7.8919 7.9091 7.9091 7.9131 7.9131 12.1671 12.1671 14.0442 14.0442 14.0802 14.0802 14.8024 14.8024 Writing output data file ZrPbO3.save init_run : 2.73s CPU 12.85s WALL ( 1 calls) electrons : 628.70s CPU 635.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 628.67s CPU 635.62s WALL ( 1 calls) v_of_rho : 0.21s CPU 0.92s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.19s CPU 0.60s WALL ( 1 calls) newd : 0.17s CPU 0.38s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.37s WALL ( 458 calls) cegterg : 598.12s CPU 602.08s WALL ( 1060 calls) Called by sum_band: Called by *egterg: h_psi : 229.12s CPU 238.08s WALL ( 19516 calls) s_psi : 16.57s CPU 17.78s WALL ( 19516 calls) g_psi : 0.61s CPU 0.68s WALL ( 17998 calls) cdiaghg : 263.10s CPU 259.62s WALL ( 18456 calls) cegterg:over : 53.80s CPU 48.41s WALL ( 17998 calls) cegterg:upda : 7.54s CPU 12.48s WALL ( 17998 calls) cegterg:last : 7.62s CPU 8.79s WALL ( 3048 calls) Called by h_psi: h_psi:vloc : 185.11s CPU 193.69s WALL ( 19516 calls) h_psi:vnl : 43.73s CPU 43.71s WALL ( 19516 calls) add_vuspsi : 9.90s CPU 15.49s WALL ( 19516 calls) General routines calbec : 33.80s CPU 28.04s WALL ( 19516 calls) fft : 0.28s CPU 1.35s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 180.70s CPU 184.80s WALL ( 1651532 calls) interpolate : 0.10s CPU 0.10s WALL ( 4 calls) davcio : 0.04s CPU 1.53s WALL ( 916 calls) Parallel routines fft_scatter : 132.41s CPU 131.50s WALL ( 1651555 calls) PWSCF : 11m22.06s CPU 12m47.50s WALL This run was terminated on: 2:20: 1 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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