Program PWSCF v.5.1.1 starts on 10Oct2015 at 23:33: 9 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: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D 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 54 19 6 2112 450 76 Max 55 20 7 2119 472 80 Sum 2621 949 293 101505 22095 3743 bravais-lattice index = 14 lattice parameter (alat) = 7.5906 a.u. unit-cell volume = 435.4970 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.590570 celldm(2)= 1.000000 celldm(3)= 0.995778 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.001813 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.001813 0.999998 0.000000 ) a(3) = ( 0.000000 0.000000 0.995778 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.001813 -0.000000 ) b(2) = ( 0.000000 1.000002 -0.000000 ) b(3) = ( 0.000000 0.000000 1.004239 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients 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 Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 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= 478 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089124 0.0089286 -0.0000000), wk = 0.0020921 k( 3) = ( 0.0178248 0.0178572 -0.0000000), wk = 0.0020921 k( 4) = ( 0.0267372 0.0267858 -0.0000000), wk = 0.0020921 k( 5) = ( 0.0356496 0.0357143 -0.0000000), wk = 0.0020921 k( 6) = ( 0.0445621 0.0446429 -0.0000000), wk = 0.0020921 k( 7) = ( 0.0534745 0.0535715 -0.0000000), wk = 0.0020921 k( 8) = ( 0.0623869 0.0625001 -0.0000000), wk = 0.0020921 k( 9) = ( 0.0712993 0.0714287 -0.0000000), wk = 0.0020921 k( 10) = ( 0.0802117 0.0803573 -0.0000000), wk = 0.0020921 k( 11) = ( 0.0891241 0.0892859 -0.0000000), wk = 0.0020921 k( 12) = ( 0.0980365 0.0982145 -0.0000000), wk = 0.0020921 k( 13) = ( 0.1069489 0.1071430 -0.0000000), wk = 0.0020921 k( 14) = ( 0.1158614 0.1160716 -0.0000000), wk = 0.0020921 k( 15) = ( 0.1247738 0.1250002 -0.0000000), wk = 0.0020921 k( 16) = ( 0.1336862 0.1339288 -0.0000000), wk = 0.0020921 k( 17) = ( 0.1425986 0.1428574 -0.0000000), wk = 0.0020921 k( 18) = ( 0.1515110 0.1517860 -0.0000000), wk = 0.0020921 k( 19) = ( 0.1604234 0.1607146 -0.0000000), wk = 0.0020921 k( 20) = ( 0.1693358 0.1696431 -0.0000000), wk = 0.0020921 k( 21) = ( 0.1782482 0.1785717 -0.0000000), wk = 0.0020921 k( 22) = ( 0.1871606 0.1875003 -0.0000000), wk = 0.0020921 k( 23) = ( 0.1960730 0.1964289 -0.0000000), wk = 0.0020921 k( 24) = ( 0.2049855 0.2053575 -0.0000000), wk = 0.0020921 k( 25) = ( 0.2138979 0.2142861 -0.0000000), wk = 0.0020921 k( 26) = ( 0.2228103 0.2232147 -0.0000000), wk = 0.0020921 k( 27) = ( 0.2317227 0.2321432 -0.0000000), wk = 0.0020921 k( 28) = ( 0.2406351 0.2410718 -0.0000000), wk = 0.0020921 k( 29) = ( 0.2495475 0.2500004 -0.0000000), wk = 0.0020921 k( 30) = ( 0.2584599 0.2589290 -0.0000000), wk = 0.0020921 k( 31) = ( 0.2673723 0.2678576 -0.0000000), wk = 0.0020921 k( 32) = ( 0.2762848 0.2767862 -0.0000000), wk = 0.0020921 k( 33) = ( 0.2851972 0.2857148 -0.0000000), wk = 0.0020921 k( 34) = ( 0.2941096 0.2946433 -0.0000000), wk = 0.0020921 k( 35) = ( 0.3030220 0.3035719 -0.0000000), wk = 0.0020921 k( 36) = ( 0.3119344 0.3125005 -0.0000000), wk = 0.0020921 k( 37) = ( 0.3208468 0.3214291 -0.0000000), wk = 0.0020921 k( 38) = ( 0.3297592 0.3303577 -0.0000000), wk = 0.0020921 k( 39) = ( 0.3386716 0.3392863 -0.0000000), wk = 0.0020921 k( 40) = ( 0.3475840 0.3482149 -0.0000000), wk = 0.0020921 k( 41) = ( 0.3564965 0.3571434 -0.0000000), wk = 0.0020921 k( 42) = ( 0.3654089 0.3660720 -0.0000000), wk = 0.0020921 k( 43) = ( 0.3743213 0.3750006 -0.0000000), wk = 0.0020921 k( 44) = ( 0.3832337 0.3839292 -0.0000000), wk = 0.0020921 k( 45) = ( 0.3921461 0.3928578 -0.0000000), wk = 0.0020921 k( 46) = ( 0.4010585 0.4017864 -0.0000000), wk = 0.0020921 k( 47) = ( 0.4099709 0.4107150 -0.0000000), wk = 0.0020921 k( 48) = ( 0.4188833 0.4196436 -0.0000000), wk = 0.0020921 k( 49) = ( 0.4277957 0.4285721 -0.0000000), wk = 0.0020921 k( 50) = ( 0.4367082 0.4375007 -0.0000000), wk = 0.0020921 k( 51) = ( 0.4456206 0.4464293 -0.0000000), wk = 0.0020921 k( 52) = ( 0.4545330 0.4553579 -0.0000000), wk = 0.0020921 k( 53) = ( 0.4634454 0.4642865 -0.0000000), wk = 0.0020921 k( 54) = ( 0.4723578 0.4732151 -0.0000000), wk = 0.0020921 k( 55) = ( 0.4812702 0.4821437 -0.0000000), wk = 0.0020921 k( 56) = ( 0.4901826 0.4910722 -0.0000000), wk = 0.0020921 k( 57) = ( 0.4990950 0.5000008 -0.0000000), wk = 0.0020921 k( 58) = ( 0.4990950 0.5000008 -0.0000000), wk = 0.0020921 k( 59) = ( 0.4866177 0.5000008 -0.0000000), wk = 0.0020921 k( 60) = ( 0.4741403 0.5000008 -0.0000000), wk = 0.0020921 k( 61) = ( 0.4616629 0.5000008 -0.0000000), wk = 0.0020921 k( 62) = ( 0.4491855 0.5000008 -0.0000000), wk = 0.0020921 k( 63) = ( 0.4367082 0.5000008 -0.0000000), wk = 0.0020921 k( 64) = ( 0.4242308 0.5000008 -0.0000000), wk = 0.0020921 k( 65) = ( 0.4117534 0.5000008 -0.0000000), wk = 0.0020921 k( 66) = ( 0.3992760 0.5000008 -0.0000000), wk = 0.0020921 k( 67) = ( 0.3867987 0.5000008 -0.0000000), wk = 0.0020921 k( 68) = ( 0.3743213 0.5000008 -0.0000000), wk = 0.0020921 k( 69) = ( 0.3618439 0.5000008 -0.0000000), wk = 0.0020921 k( 70) = ( 0.3493665 0.5000008 -0.0000000), wk = 0.0020921 k( 71) = ( 0.3368892 0.5000008 -0.0000000), wk = 0.0020921 k( 72) = ( 0.3244118 0.5000008 -0.0000000), wk = 0.0020921 k( 73) = ( 0.3119344 0.5000008 -0.0000000), wk = 0.0020921 k( 74) = ( 0.2994570 0.5000008 -0.0000000), wk = 0.0020921 k( 75) = ( 0.2869796 0.5000008 -0.0000000), wk = 0.0020921 k( 76) = ( 0.2745023 0.5000008 -0.0000000), wk = 0.0020921 k( 77) = ( 0.2620249 0.5000008 -0.0000000), wk = 0.0020921 k( 78) = ( 0.2495475 0.5000008 -0.0000000), wk = 0.0020921 k( 79) = ( 0.2370701 0.5000008 -0.0000000), wk = 0.0020921 k( 80) = ( 0.2245928 0.5000008 -0.0000000), wk = 0.0020921 k( 81) = ( 0.2121154 0.5000008 -0.0000000), wk = 0.0020921 k( 82) = ( 0.1996380 0.5000008 -0.0000000), wk = 0.0020921 k( 83) = ( 0.1871606 0.5000008 -0.0000000), wk = 0.0020921 k( 84) = ( 0.1746833 0.5000008 -0.0000000), wk = 0.0020921 k( 85) = ( 0.1622059 0.5000008 -0.0000000), wk = 0.0020921 k( 86) = ( 0.1497285 0.5000008 -0.0000000), wk = 0.0020921 k( 87) = ( 0.1372511 0.5000008 -0.0000000), wk = 0.0020921 k( 88) = ( 0.1247738 0.5000008 -0.0000000), wk = 0.0020921 k( 89) = ( 0.1122964 0.5000008 -0.0000000), wk = 0.0020921 k( 90) = ( 0.0998190 0.5000008 -0.0000000), wk = 0.0020921 k( 91) = ( 0.0873416 0.5000008 -0.0000000), wk = 0.0020921 k( 92) = ( 0.0748643 0.5000008 -0.0000000), wk = 0.0020921 k( 93) = ( 0.0623869 0.5000008 -0.0000000), wk = 0.0020921 k( 94) = ( 0.0499095 0.5000008 -0.0000000), wk = 0.0020921 k( 95) = ( 0.0374321 0.5000008 -0.0000000), wk = 0.0020921 k( 96) = ( 0.0249548 0.5000008 -0.0000000), wk = 0.0020921 k( 97) = ( 0.0124774 0.5000008 -0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000008 -0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000008 -0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000008 0.0125530), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000008 0.0251060), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000008 0.0376590), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000008 0.0502120), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000008 0.0627650), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000008 0.0753180), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000008 0.0878710), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000008 0.1004239), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000008 0.1129769), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000008 0.1255299), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000008 0.1380829), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000008 0.1506359), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000008 0.1631889), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000008 0.1757419), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000008 0.1882949), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000008 0.2008479), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000008 0.2134009), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000008 0.2259539), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000008 0.2385069), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000008 0.2510599), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000008 0.2636129), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000008 0.2761659), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000008 0.2887189), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000008 0.3012718), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000008 0.3138248), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000008 0.3263778), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000008 0.3389308), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000008 0.3514838), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000008 0.3640368), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000008 0.3765898), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000008 0.3891428), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000008 0.4016958), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000008 0.4142488), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000008 0.4268018), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000008 0.4393548), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000008 0.4519078), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000008 0.4644608), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000008 0.4770138), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000008 0.4895667), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000008 0.5021197), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000008 0.5021197), wk = 0.0020921 k( 141) = ( 0.0124774 0.5000008 0.5021197), wk = 0.0020921 k( 142) = ( 0.0249548 0.5000008 0.5021197), wk = 0.0020921 k( 143) = ( 0.0374321 0.5000008 0.5021197), wk = 0.0020921 k( 144) = ( 0.0499095 0.5000008 0.5021197), wk = 0.0020921 k( 145) = ( 0.0623869 0.5000008 0.5021197), wk = 0.0020921 k( 146) = ( 0.0748643 0.5000008 0.5021197), wk = 0.0020921 k( 147) = ( 0.0873416 0.5000008 0.5021197), wk = 0.0020921 k( 148) = ( 0.0998190 0.5000008 0.5021197), wk = 0.0020921 k( 149) = ( 0.1122964 0.5000008 0.5021197), wk = 0.0020921 k( 150) = ( 0.1247738 0.5000008 0.5021197), wk = 0.0020921 k( 151) = ( 0.1372511 0.5000008 0.5021197), wk = 0.0020921 k( 152) = ( 0.1497285 0.5000008 0.5021197), wk = 0.0020921 k( 153) = ( 0.1622059 0.5000008 0.5021197), wk = 0.0020921 k( 154) = ( 0.1746833 0.5000008 0.5021197), wk = 0.0020921 k( 155) = ( 0.1871606 0.5000008 0.5021197), wk = 0.0020921 k( 156) = ( 0.1996380 0.5000008 0.5021197), wk = 0.0020921 k( 157) = ( 0.2121154 0.5000008 0.5021197), wk = 0.0020921 k( 158) = ( 0.2245928 0.5000008 0.5021197), wk = 0.0020921 k( 159) = ( 0.2370701 0.5000008 0.5021197), wk = 0.0020921 k( 160) = ( 0.2495475 0.5000008 0.5021197), wk = 0.0020921 k( 161) = ( 0.2620249 0.5000008 0.5021197), wk = 0.0020921 k( 162) = ( 0.2745023 0.5000008 0.5021197), wk = 0.0020921 k( 163) = ( 0.2869796 0.5000008 0.5021197), wk = 0.0020921 k( 164) = ( 0.2994570 0.5000008 0.5021197), wk = 0.0020921 k( 165) = ( 0.3119344 0.5000008 0.5021197), wk = 0.0020921 k( 166) = ( 0.3244118 0.5000008 0.5021197), wk = 0.0020921 k( 167) = ( 0.3368892 0.5000008 0.5021197), wk = 0.0020921 k( 168) = ( 0.3493665 0.5000008 0.5021197), wk = 0.0020921 k( 169) = ( 0.3618439 0.5000008 0.5021197), wk = 0.0020921 k( 170) = ( 0.3743213 0.5000008 0.5021197), wk = 0.0020921 k( 171) = ( 0.3867987 0.5000008 0.5021197), wk = 0.0020921 k( 172) = ( 0.3992760 0.5000008 0.5021197), wk = 0.0020921 k( 173) = ( 0.4117534 0.5000008 0.5021197), wk = 0.0020921 k( 174) = ( 0.4242308 0.5000008 0.5021197), wk = 0.0020921 k( 175) = ( 0.4367082 0.5000008 0.5021197), wk = 0.0020921 k( 176) = ( 0.4491855 0.5000008 0.5021197), wk = 0.0020921 k( 177) = ( 0.4616629 0.5000008 0.5021197), wk = 0.0020921 k( 178) = ( 0.4741403 0.5000008 0.5021197), wk = 0.0020921 k( 179) = ( 0.4866177 0.5000008 0.5021197), wk = 0.0020921 k( 180) = ( 0.4990950 0.5000008 0.5021197), wk = 0.0020921 k( 181) = ( 0.4990950 0.5000008 0.5021197), wk = 0.0020921 k( 182) = ( 0.4901826 0.4910722 0.5021197), wk = 0.0020921 k( 183) = ( 0.4812702 0.4821437 0.5021197), wk = 0.0020921 k( 184) = ( 0.4723578 0.4732151 0.5021197), wk = 0.0020921 k( 185) = ( 0.4634454 0.4642865 0.5021197), wk = 0.0020921 k( 186) = ( 0.4545330 0.4553579 0.5021197), wk = 0.0020921 k( 187) = ( 0.4456206 0.4464293 0.5021197), wk = 0.0020921 k( 188) = ( 0.4367082 0.4375007 0.5021197), wk = 0.0020921 k( 189) = ( 0.4277957 0.4285721 0.5021197), wk = 0.0020921 k( 190) = ( 0.4188833 0.4196436 0.5021197), wk = 0.0020921 k( 191) = ( 0.4099709 0.4107150 0.5021197), wk = 0.0020921 k( 192) = ( 0.4010585 0.4017864 0.5021197), wk = 0.0020921 k( 193) = ( 0.3921461 0.3928578 0.5021197), wk = 0.0020921 k( 194) = ( 0.3832337 0.3839292 0.5021197), wk = 0.0020921 k( 195) = ( 0.3743213 0.3750006 0.5021197), wk = 0.0020921 k( 196) = ( 0.3654089 0.3660720 0.5021197), wk = 0.0020921 k( 197) = ( 0.3564965 0.3571434 0.5021197), wk = 0.0020921 k( 198) = ( 0.3475840 0.3482149 0.5021197), wk = 0.0020921 k( 199) = ( 0.3386716 0.3392863 0.5021197), wk = 0.0020921 k( 200) = ( 0.3297592 0.3303577 0.5021197), wk = 0.0020921 k( 201) = ( 0.3208468 0.3214291 0.5021197), wk = 0.0020921 k( 202) = ( 0.3119344 0.3125005 0.5021197), wk = 0.0020921 k( 203) = ( 0.3030220 0.3035719 0.5021197), wk = 0.0020921 k( 204) = ( 0.2941096 0.2946433 0.5021197), wk = 0.0020921 k( 205) = ( 0.2851972 0.2857148 0.5021197), wk = 0.0020921 k( 206) = ( 0.2762848 0.2767862 0.5021197), wk = 0.0020921 k( 207) = ( 0.2673723 0.2678576 0.5021197), wk = 0.0020921 k( 208) = ( 0.2584599 0.2589290 0.5021197), wk = 0.0020921 k( 209) = ( 0.2495475 0.2500004 0.5021197), wk = 0.0020921 k( 210) = ( 0.2406351 0.2410718 0.5021197), wk = 0.0020921 k( 211) = ( 0.2317227 0.2321432 0.5021197), wk = 0.0020921 k( 212) = ( 0.2228103 0.2232147 0.5021197), wk = 0.0020921 k( 213) = ( 0.2138979 0.2142861 0.5021197), wk = 0.0020921 k( 214) = ( 0.2049855 0.2053575 0.5021197), wk = 0.0020921 k( 215) = ( 0.1960730 0.1964289 0.5021197), wk = 0.0020921 k( 216) = ( 0.1871606 0.1875003 0.5021197), wk = 0.0020921 k( 217) = ( 0.1782482 0.1785717 0.5021197), wk = 0.0020921 k( 218) = ( 0.1693358 0.1696431 0.5021197), wk = 0.0020921 k( 219) = ( 0.1604234 0.1607146 0.5021197), wk = 0.0020921 k( 220) = ( 0.1515110 0.1517860 0.5021197), wk = 0.0020921 k( 221) = ( 0.1425986 0.1428574 0.5021197), wk = 0.0020921 k( 222) = ( 0.1336862 0.1339288 0.5021197), wk = 0.0020921 k( 223) = ( 0.1247738 0.1250002 0.5021197), wk = 0.0020921 k( 224) = ( 0.1158614 0.1160716 0.5021197), wk = 0.0020921 k( 225) = ( 0.1069489 0.1071430 0.5021197), wk = 0.0020921 k( 226) = ( 0.0980365 0.0982145 0.5021197), wk = 0.0020921 k( 227) = ( 0.0891241 0.0892859 0.5021197), wk = 0.0020921 k( 228) = ( 0.0802117 0.0803573 0.5021197), wk = 0.0020921 k( 229) = ( 0.0712993 0.0714287 0.5021197), wk = 0.0020921 k( 230) = ( 0.0623869 0.0625001 0.5021197), wk = 0.0020921 k( 231) = ( 0.0534745 0.0535715 0.5021197), wk = 0.0020921 k( 232) = ( 0.0445621 0.0446429 0.5021197), wk = 0.0020921 k( 233) = ( 0.0356496 0.0357143 0.5021197), wk = 0.0020921 k( 234) = ( 0.0267372 0.0267858 0.5021197), wk = 0.0020921 k( 235) = ( 0.0178248 0.0178572 0.5021197), wk = 0.0020921 k( 236) = ( 0.0089124 0.0089286 0.5021197), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.5021197), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.5021197), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4895667), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4770138), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4644608), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4519078), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4393548), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4268018), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4142488), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.4016958), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3891428), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3765898), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3640368), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3514838), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3389308), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3263778), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3138248), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.3012718), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2887189), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2761659), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2636129), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2510599), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2385069), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2259539), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2134009), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.2008479), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1882949), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1757419), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1631889), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1506359), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1380829), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1255299), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1129769), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.1004239), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0878710), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0753180), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0627650), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0502120), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0376590), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0251060), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0125530), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089124 0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178248 0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267372 0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0356496 0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0445620 0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0534744 0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0623868 0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0712992 0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0802116 0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0891240 0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0980364 0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1069488 0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1158612 0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1247736 0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1336860 0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1425983 0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1515107 0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1604231 0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1693355 0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1782479 0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1871603 0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1960727 0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2049851 0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2138975 0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2228099 0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2317223 0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2406347 0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2495471 0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2584595 0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2673719 0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2762843 0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2851967 0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2941091 0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3030215 0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3119339 0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3208463 0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3297587 0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3386711 0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3475835 0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3564959 0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3654083 0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3743207 0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3832331 0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3921455 0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4010579 0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4099703 0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4188827 0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4277950 0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4367074 0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4456198 0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4545322 0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4634446 0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4723570 0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4812694 0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4901818 0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.4990942 0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.4990942 0.0000000), wk = 0.0020921 k( 337) = ( -0.4990950 0.5000008 -0.0000000), wk = 0.0020921 k( 338) = ( -0.4990950 0.5000008 -0.0000000), wk = 0.0020921 k( 339) = ( -0.4990950 0.5000008 0.0125530), wk = 0.0020921 k( 340) = ( -0.4990950 0.5000008 0.0251060), wk = 0.0020921 k( 341) = ( -0.4990950 0.5000008 0.0376590), wk = 0.0020921 k( 342) = ( -0.4990950 0.5000008 0.0502120), wk = 0.0020921 k( 343) = ( -0.4990950 0.5000008 0.0627650), wk = 0.0020921 k( 344) = ( -0.4990950 0.5000008 0.0753180), wk = 0.0020921 k( 345) = ( -0.4990950 0.5000008 0.0878710), wk = 0.0020921 k( 346) = ( -0.4990950 0.5000008 0.1004239), wk = 0.0020921 k( 347) = ( -0.4990950 0.5000008 0.1129769), wk = 0.0020921 k( 348) = ( -0.4990950 0.5000008 0.1255299), wk = 0.0020921 k( 349) = ( -0.4990950 0.5000008 0.1380829), wk = 0.0020921 k( 350) = ( -0.4990950 0.5000008 0.1506359), wk = 0.0020921 k( 351) = ( -0.4990950 0.5000008 0.1631889), wk = 0.0020921 k( 352) = ( -0.4990950 0.5000008 0.1757419), wk = 0.0020921 k( 353) = ( -0.4990950 0.5000008 0.1882949), wk = 0.0020921 k( 354) = ( -0.4990950 0.5000008 0.2008479), wk = 0.0020921 k( 355) = ( -0.4990950 0.5000008 0.2134009), wk = 0.0020921 k( 356) = ( -0.4990950 0.5000008 0.2259539), wk = 0.0020921 k( 357) = ( -0.4990950 0.5000008 0.2385069), wk = 0.0020921 k( 358) = ( -0.4990950 0.5000008 0.2510599), wk = 0.0020921 k( 359) = ( -0.4990950 0.5000008 0.2636129), wk = 0.0020921 k( 360) = ( -0.4990950 0.5000008 0.2761659), wk = 0.0020921 k( 361) = ( -0.4990950 0.5000008 0.2887189), wk = 0.0020921 k( 362) = ( -0.4990950 0.5000008 0.3012718), wk = 0.0020921 k( 363) = ( -0.4990950 0.5000008 0.3138248), wk = 0.0020921 k( 364) = ( -0.4990950 0.5000008 0.3263778), wk = 0.0020921 k( 365) = ( -0.4990950 0.5000008 0.3389308), wk = 0.0020921 k( 366) = ( -0.4990950 0.5000008 0.3514838), wk = 0.0020921 k( 367) = ( -0.4990950 0.5000008 0.3640368), wk = 0.0020921 k( 368) = ( -0.4990950 0.5000008 0.3765898), wk = 0.0020921 k( 369) = ( -0.4990950 0.5000008 0.3891428), wk = 0.0020921 k( 370) = ( -0.4990950 0.5000008 0.4016958), wk = 0.0020921 k( 371) = ( -0.4990950 0.5000008 0.4142488), wk = 0.0020921 k( 372) = ( -0.4990950 0.5000008 0.4268018), wk = 0.0020921 k( 373) = ( -0.4990950 0.5000008 0.4393548), wk = 0.0020921 k( 374) = ( -0.4990950 0.5000008 0.4519078), wk = 0.0020921 k( 375) = ( -0.4990950 0.5000008 0.4644608), wk = 0.0020921 k( 376) = ( -0.4990950 0.5000008 0.4770138), wk = 0.0020921 k( 377) = ( -0.4990950 0.5000008 0.4895667), wk = 0.0020921 k( 378) = ( -0.4990950 0.5000008 0.5021197), wk = 0.0020921 k( 379) = ( -0.4990950 0.5000008 0.5021197), wk = 0.0020921 k( 380) = ( -0.5000000 0.4990942 0.5021197), wk = 0.0020921 k( 381) = ( -0.5000000 0.4990942 0.5021197), wk = 0.0020921 k( 382) = ( -0.5000000 0.4990942 0.4895667), wk = 0.0020921 k( 383) = ( -0.5000000 0.4990942 0.4770138), wk = 0.0020921 k( 384) = ( -0.5000000 0.4990942 0.4644608), wk = 0.0020921 k( 385) = ( -0.5000000 0.4990942 0.4519078), wk = 0.0020921 k( 386) = ( -0.5000000 0.4990942 0.4393548), wk = 0.0020921 k( 387) = ( -0.5000000 0.4990942 0.4268018), wk = 0.0020921 k( 388) = ( -0.5000000 0.4990942 0.4142488), wk = 0.0020921 k( 389) = ( -0.5000000 0.4990942 0.4016958), wk = 0.0020921 k( 390) = ( -0.5000000 0.4990942 0.3891428), wk = 0.0020921 k( 391) = ( -0.5000000 0.4990942 0.3765898), wk = 0.0020921 k( 392) = ( -0.5000000 0.4990942 0.3640368), wk = 0.0020921 k( 393) = ( -0.5000000 0.4990942 0.3514838), wk = 0.0020921 k( 394) = ( -0.5000000 0.4990942 0.3389308), wk = 0.0020921 k( 395) = ( -0.5000000 0.4990942 0.3263778), wk = 0.0020921 k( 396) = ( -0.5000000 0.4990942 0.3138248), wk = 0.0020921 k( 397) = ( -0.5000000 0.4990942 0.3012718), wk = 0.0020921 k( 398) = ( -0.5000000 0.4990942 0.2887189), wk = 0.0020921 k( 399) = ( -0.5000000 0.4990942 0.2761659), wk = 0.0020921 k( 400) = ( -0.5000000 0.4990942 0.2636129), wk = 0.0020921 k( 401) = ( -0.5000000 0.4990942 0.2510599), wk = 0.0020921 k( 402) = ( -0.5000000 0.4990942 0.2385069), wk = 0.0020921 k( 403) = ( -0.5000000 0.4990942 0.2259539), wk = 0.0020921 k( 404) = ( -0.5000000 0.4990942 0.2134009), wk = 0.0020921 k( 405) = ( -0.5000000 0.4990942 0.2008479), wk = 0.0020921 k( 406) = ( -0.5000000 0.4990942 0.1882949), wk = 0.0020921 k( 407) = ( -0.5000000 0.4990942 0.1757419), wk = 0.0020921 k( 408) = ( -0.5000000 0.4990942 0.1631889), wk = 0.0020921 k( 409) = ( -0.5000000 0.4990942 0.1506359), wk = 0.0020921 k( 410) = ( -0.5000000 0.4990942 0.1380829), wk = 0.0020921 k( 411) = ( -0.5000000 0.4990942 0.1255299), wk = 0.0020921 k( 412) = ( -0.5000000 0.4990942 0.1129769), wk = 0.0020921 k( 413) = ( -0.5000000 0.4990942 0.1004239), wk = 0.0020921 k( 414) = ( -0.5000000 0.4990942 0.0878710), wk = 0.0020921 k( 415) = ( -0.5000000 0.4990942 0.0753180), wk = 0.0020921 k( 416) = ( -0.5000000 0.4990942 0.0627650), wk = 0.0020921 k( 417) = ( -0.5000000 0.4990942 0.0502120), wk = 0.0020921 k( 418) = ( -0.5000000 0.4990942 0.0376590), wk = 0.0020921 k( 419) = ( -0.5000000 0.4990942 0.0251060), wk = 0.0020921 k( 420) = ( -0.5000000 0.4990942 0.0125530), wk = 0.0020921 k( 421) = ( -0.5000000 0.4990942 0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.5021197), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089124 0.5021197), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178248 0.5021197), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267372 0.5021197), wk = 0.0020921 k( 426) = ( -0.0357143 0.0356496 0.5021197), wk = 0.0020921 k( 427) = ( -0.0446429 0.0445620 0.5021197), wk = 0.0020921 k( 428) = ( -0.0535714 0.0534744 0.5021197), wk = 0.0020921 k( 429) = ( -0.0625000 0.0623868 0.5021197), wk = 0.0020921 k( 430) = ( -0.0714286 0.0712992 0.5021197), wk = 0.0020921 k( 431) = ( -0.0803571 0.0802116 0.5021197), wk = 0.0020921 k( 432) = ( -0.0892857 0.0891240 0.5021197), wk = 0.0020921 k( 433) = ( -0.0982143 0.0980364 0.5021197), wk = 0.0020921 k( 434) = ( -0.1071429 0.1069488 0.5021197), wk = 0.0020921 k( 435) = ( -0.1160714 0.1158612 0.5021197), wk = 0.0020921 k( 436) = ( -0.1250000 0.1247736 0.5021197), wk = 0.0020921 k( 437) = ( -0.1339286 0.1336860 0.5021197), wk = 0.0020921 k( 438) = ( -0.1428571 0.1425983 0.5021197), wk = 0.0020921 k( 439) = ( -0.1517857 0.1515107 0.5021197), wk = 0.0020921 k( 440) = ( -0.1607143 0.1604231 0.5021197), wk = 0.0020921 k( 441) = ( -0.1696429 0.1693355 0.5021197), wk = 0.0020921 k( 442) = ( -0.1785714 0.1782479 0.5021197), wk = 0.0020921 k( 443) = ( -0.1875000 0.1871603 0.5021197), wk = 0.0020921 k( 444) = ( -0.1964286 0.1960727 0.5021197), wk = 0.0020921 k( 445) = ( -0.2053571 0.2049851 0.5021197), wk = 0.0020921 k( 446) = ( -0.2142857 0.2138975 0.5021197), wk = 0.0020921 k( 447) = ( -0.2232143 0.2228099 0.5021197), wk = 0.0020921 k( 448) = ( -0.2321429 0.2317223 0.5021197), wk = 0.0020921 k( 449) = ( -0.2410714 0.2406347 0.5021197), wk = 0.0020921 k( 450) = ( -0.2500000 0.2495471 0.5021197), wk = 0.0020921 k( 451) = ( -0.2589286 0.2584595 0.5021197), wk = 0.0020921 k( 452) = ( -0.2678571 0.2673719 0.5021197), wk = 0.0020921 k( 453) = ( -0.2767857 0.2762843 0.5021197), wk = 0.0020921 k( 454) = ( -0.2857143 0.2851967 0.5021197), wk = 0.0020921 k( 455) = ( -0.2946429 0.2941091 0.5021197), wk = 0.0020921 k( 456) = ( -0.3035714 0.3030215 0.5021197), wk = 0.0020921 k( 457) = ( -0.3125000 0.3119339 0.5021197), wk = 0.0020921 k( 458) = ( -0.3214286 0.3208463 0.5021197), wk = 0.0020921 k( 459) = ( -0.3303571 0.3297587 0.5021197), wk = 0.0020921 k( 460) = ( -0.3392857 0.3386711 0.5021197), wk = 0.0020921 k( 461) = ( -0.3482143 0.3475835 0.5021197), wk = 0.0020921 k( 462) = ( -0.3571429 0.3564959 0.5021197), wk = 0.0020921 k( 463) = ( -0.3660714 0.3654083 0.5021197), wk = 0.0020921 k( 464) = ( -0.3750000 0.3743207 0.5021197), wk = 0.0020921 k( 465) = ( -0.3839286 0.3832331 0.5021197), wk = 0.0020921 k( 466) = ( -0.3928571 0.3921455 0.5021197), wk = 0.0020921 k( 467) = ( -0.4017857 0.4010579 0.5021197), wk = 0.0020921 k( 468) = ( -0.4107143 0.4099703 0.5021197), wk = 0.0020921 k( 469) = ( -0.4196429 0.4188827 0.5021197), wk = 0.0020921 k( 470) = ( -0.4285714 0.4277950 0.5021197), wk = 0.0020921 k( 471) = ( -0.4375000 0.4367074 0.5021197), wk = 0.0020921 k( 472) = ( -0.4464286 0.4456198 0.5021197), wk = 0.0020921 k( 473) = ( -0.4553571 0.4545322 0.5021197), wk = 0.0020921 k( 474) = ( -0.4642857 0.4634446 0.5021197), wk = 0.0020921 k( 475) = ( -0.4732143 0.4723570 0.5021197), wk = 0.0020921 k( 476) = ( -0.4821429 0.4812694 0.5021197), wk = 0.0020921 k( 477) = ( -0.4910714 0.4901818 0.5021197), wk = 0.0020921 k( 478) = ( -0.5000000 0.4990942 0.5021197), wk = 0.0020921 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089124 0.0089124 -0.0000000), wk = 0.0020921 k( 3) = ( 0.0178248 0.0178248 -0.0000000), wk = 0.0020921 k( 4) = ( 0.0267372 0.0267372 0.0000000), wk = 0.0020921 k( 5) = ( 0.0356496 0.0356496 -0.0000000), wk = 0.0020921 k( 6) = ( 0.0445621 0.0445621 0.0000000), wk = 0.0020921 k( 7) = ( 0.0534745 0.0534745 0.0000000), wk = 0.0020921 k( 8) = ( 0.0623869 0.0623869 0.0000000), wk = 0.0020921 k( 9) = ( 0.0712993 0.0712993 0.0000000), wk = 0.0020921 k( 10) = ( 0.0802117 0.0802117 0.0000000), wk = 0.0020921 k( 11) = ( 0.0891241 0.0891241 0.0000000), wk = 0.0020921 k( 12) = ( 0.0980365 0.0980365 -0.0000000), wk = 0.0020921 k( 13) = ( 0.1069489 0.1069489 0.0000000), wk = 0.0020921 k( 14) = ( 0.1158614 0.1158613 0.0000000), wk = 0.0020921 k( 15) = ( 0.1247738 0.1247738 0.0000000), wk = 0.0020921 k( 16) = ( 0.1336862 0.1336862 0.0000000), wk = 0.0020921 k( 17) = ( 0.1425986 0.1425986 0.0000000), wk = 0.0020921 k( 18) = ( 0.1515110 0.1515110 0.0000000), wk = 0.0020921 k( 19) = ( 0.1604234 0.1604234 0.0000000), wk = 0.0020921 k( 20) = ( 0.1693358 0.1693358 0.0000000), wk = 0.0020921 k( 21) = ( 0.1782482 0.1782482 -0.0000000), wk = 0.0020921 k( 22) = ( 0.1871606 0.1871606 0.0000000), wk = 0.0020921 k( 23) = ( 0.1960730 0.1960730 0.0000000), wk = 0.0020921 k( 24) = ( 0.2049855 0.2049855 0.0000000), wk = 0.0020921 k( 25) = ( 0.2138979 0.2138979 0.0000000), wk = 0.0020921 k( 26) = ( 0.2228103 0.2228103 0.0000000), wk = 0.0020921 k( 27) = ( 0.2317227 0.2317227 0.0000000), wk = 0.0020921 k( 28) = ( 0.2406351 0.2406351 0.0000000), wk = 0.0020921 k( 29) = ( 0.2495475 0.2495475 0.0000000), wk = 0.0020921 k( 30) = ( 0.2584599 0.2584599 0.0000000), wk = 0.0020921 k( 31) = ( 0.2673723 0.2673723 0.0000000), wk = 0.0020921 k( 32) = ( 0.2762848 0.2762848 0.0000000), wk = 0.0020921 k( 33) = ( 0.2851972 0.2851972 0.0000000), wk = 0.0020921 k( 34) = ( 0.2941096 0.2941096 0.0000000), wk = 0.0020921 k( 35) = ( 0.3030220 0.3030220 0.0000000), wk = 0.0020921 k( 36) = ( 0.3119344 0.3119344 0.0000000), wk = 0.0020921 k( 37) = ( 0.3208468 0.3208468 0.0000000), wk = 0.0020921 k( 38) = ( 0.3297592 0.3297592 0.0000000), wk = 0.0020921 k( 39) = ( 0.3386716 0.3386716 0.0000000), wk = 0.0020921 k( 40) = ( 0.3475840 0.3475840 0.0000000), wk = 0.0020921 k( 41) = ( 0.3564965 0.3564965 -0.0000000), wk = 0.0020921 k( 42) = ( 0.3654089 0.3654089 0.0000000), wk = 0.0020921 k( 43) = ( 0.3743213 0.3743213 0.0000000), wk = 0.0020921 k( 44) = ( 0.3832337 0.3832337 0.0000000), wk = 0.0020921 k( 45) = ( 0.3921461 0.3921461 0.0000000), wk = 0.0020921 k( 46) = ( 0.4010585 0.4010585 0.0000000), wk = 0.0020921 k( 47) = ( 0.4099709 0.4099709 -0.0000000), wk = 0.0020921 k( 48) = ( 0.4188833 0.4188833 0.0000000), wk = 0.0020921 k( 49) = ( 0.4277957 0.4277957 0.0000000), wk = 0.0020921 k( 50) = ( 0.4367082 0.4367082 0.0000000), wk = 0.0020921 k( 51) = ( 0.4456206 0.4456206 -0.0000000), wk = 0.0020921 k( 52) = ( 0.4545330 0.4545330 0.0000000), wk = 0.0020921 k( 53) = ( 0.4634454 0.4634454 0.0000000), wk = 0.0020921 k( 54) = ( 0.4723578 0.4723578 0.0000000), wk = 0.0020921 k( 55) = ( 0.4812702 0.4812702 0.0000000), wk = 0.0020921 k( 56) = ( 0.4901826 0.4901826 0.0000000), wk = 0.0020921 k( 57) = ( 0.4990950 0.4990950 0.0000000), wk = 0.0020921 k( 58) = ( 0.4990950 0.4990950 0.0000000), wk = 0.0020921 k( 59) = ( 0.4866177 0.4991177 0.0000000), wk = 0.0020921 k( 60) = ( 0.4741403 0.4991403 0.0000000), wk = 0.0020921 k( 61) = ( 0.4616629 0.4991629 0.0000000), wk = 0.0020921 k( 62) = ( 0.4491855 0.4991855 -0.0000000), wk = 0.0020921 k( 63) = ( 0.4367082 0.4992082 0.0000000), wk = 0.0020921 k( 64) = ( 0.4242308 0.4992308 0.0000000), wk = 0.0020921 k( 65) = ( 0.4117534 0.4992534 0.0000000), wk = 0.0020921 k( 66) = ( 0.3992760 0.4992760 -0.0000000), wk = 0.0020921 k( 67) = ( 0.3867987 0.4992987 0.0000000), wk = 0.0020921 k( 68) = ( 0.3743213 0.4993213 0.0000000), wk = 0.0020921 k( 69) = ( 0.3618439 0.4993439 -0.0000000), wk = 0.0020921 k( 70) = ( 0.3493665 0.4993665 0.0000000), wk = 0.0020921 k( 71) = ( 0.3368892 0.4993892 0.0000000), wk = 0.0020921 k( 72) = ( 0.3244118 0.4994118 0.0000000), wk = 0.0020921 k( 73) = ( 0.3119344 0.4994344 0.0000000), wk = 0.0020921 k( 74) = ( 0.2994570 0.4994570 0.0000000), wk = 0.0020921 k( 75) = ( 0.2869796 0.4994796 -0.0000000), wk = 0.0020921 k( 76) = ( 0.2745023 0.4995023 0.0000000), wk = 0.0020921 k( 77) = ( 0.2620249 0.4995249 0.0000000), wk = 0.0020921 k( 78) = ( 0.2495475 0.4995475 -0.0000000), wk = 0.0020921 k( 79) = ( 0.2370701 0.4995701 -0.0000000), wk = 0.0020921 k( 80) = ( 0.2245928 0.4995928 0.0000000), wk = 0.0020921 k( 81) = ( 0.2121154 0.4996154 0.0000000), wk = 0.0020921 k( 82) = ( 0.1996380 0.4996380 0.0000000), wk = 0.0020921 k( 83) = ( 0.1871606 0.4996606 0.0000000), wk = 0.0020921 k( 84) = ( 0.1746833 0.4996833 0.0000000), wk = 0.0020921 k( 85) = ( 0.1622059 0.4997059 -0.0000000), wk = 0.0020921 k( 86) = ( 0.1497285 0.4997285 0.0000000), wk = 0.0020921 k( 87) = ( 0.1372511 0.4997511 0.0000000), wk = 0.0020921 k( 88) = ( 0.1247738 0.4997738 0.0000000), wk = 0.0020921 k( 89) = ( 0.1122964 0.4997964 0.0000000), wk = 0.0020921 k( 90) = ( 0.0998190 0.4998190 -0.0000000), wk = 0.0020921 k( 91) = ( 0.0873416 0.4998416 -0.0000000), wk = 0.0020921 k( 92) = ( 0.0748643 0.4998643 0.0000000), wk = 0.0020921 k( 93) = ( 0.0623869 0.4998869 0.0000000), wk = 0.0020921 k( 94) = ( 0.0499095 0.4999095 -0.0000000), wk = 0.0020921 k( 95) = ( 0.0374321 0.4999321 0.0000000), wk = 0.0020921 k( 96) = ( 0.0249548 0.4999547 -0.0000000), wk = 0.0020921 k( 97) = ( 0.0124774 0.4999774 0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 141) = ( 0.0124774 0.4999774 0.5000000), wk = 0.0020921 k( 142) = ( 0.0249548 0.4999547 0.5000000), wk = 0.0020921 k( 143) = ( 0.0374321 0.4999321 0.5000000), wk = 0.0020921 k( 144) = ( 0.0499095 0.4999095 0.5000000), wk = 0.0020921 k( 145) = ( 0.0623869 0.4998869 0.5000000), wk = 0.0020921 k( 146) = ( 0.0748643 0.4998643 0.5000000), wk = 0.0020921 k( 147) = ( 0.0873416 0.4998416 0.5000000), wk = 0.0020921 k( 148) = ( 0.0998190 0.4998190 0.5000000), wk = 0.0020921 k( 149) = ( 0.1122964 0.4997964 0.5000000), wk = 0.0020921 k( 150) = ( 0.1247738 0.4997738 0.5000000), wk = 0.0020921 k( 151) = ( 0.1372511 0.4997511 0.5000000), wk = 0.0020921 k( 152) = ( 0.1497285 0.4997285 0.5000000), wk = 0.0020921 k( 153) = ( 0.1622059 0.4997059 0.5000000), wk = 0.0020921 k( 154) = ( 0.1746833 0.4996833 0.5000000), wk = 0.0020921 k( 155) = ( 0.1871606 0.4996606 0.5000000), wk = 0.0020921 k( 156) = ( 0.1996380 0.4996380 0.5000000), wk = 0.0020921 k( 157) = ( 0.2121154 0.4996154 0.5000000), wk = 0.0020921 k( 158) = ( 0.2245928 0.4995928 0.5000000), wk = 0.0020921 k( 159) = ( 0.2370701 0.4995701 0.5000000), wk = 0.0020921 k( 160) = ( 0.2495475 0.4995475 0.5000000), wk = 0.0020921 k( 161) = ( 0.2620249 0.4995249 0.5000000), wk = 0.0020921 k( 162) = ( 0.2745023 0.4995023 0.5000000), wk = 0.0020921 k( 163) = ( 0.2869796 0.4994796 0.5000000), wk = 0.0020921 k( 164) = ( 0.2994570 0.4994570 0.5000000), wk = 0.0020921 k( 165) = ( 0.3119344 0.4994344 0.5000000), wk = 0.0020921 k( 166) = ( 0.3244118 0.4994118 0.5000000), wk = 0.0020921 k( 167) = ( 0.3368892 0.4993892 0.5000000), wk = 0.0020921 k( 168) = ( 0.3493665 0.4993665 0.5000000), wk = 0.0020921 k( 169) = ( 0.3618439 0.4993439 0.5000000), wk = 0.0020921 k( 170) = ( 0.3743213 0.4993213 0.5000000), wk = 0.0020921 k( 171) = ( 0.3867987 0.4992987 0.5000000), wk = 0.0020921 k( 172) = ( 0.3992760 0.4992760 0.5000000), wk = 0.0020921 k( 173) = ( 0.4117534 0.4992534 0.5000000), wk = 0.0020921 k( 174) = ( 0.4242308 0.4992308 0.5000000), wk = 0.0020921 k( 175) = ( 0.4367082 0.4992082 0.5000000), wk = 0.0020921 k( 176) = ( 0.4491855 0.4991855 0.5000000), wk = 0.0020921 k( 177) = ( 0.4616629 0.4991629 0.5000000), wk = 0.0020921 k( 178) = ( 0.4741403 0.4991403 0.5000000), wk = 0.0020921 k( 179) = ( 0.4866177 0.4991177 0.5000000), wk = 0.0020921 k( 180) = ( 0.4990950 0.4990950 0.5000000), wk = 0.0020921 k( 181) = ( 0.4990950 0.4990950 0.5000000), wk = 0.0020921 k( 182) = ( 0.4901826 0.4901826 0.5000000), wk = 0.0020921 k( 183) = ( 0.4812702 0.4812702 0.5000000), wk = 0.0020921 k( 184) = ( 0.4723578 0.4723578 0.5000000), wk = 0.0020921 k( 185) = ( 0.4634454 0.4634454 0.5000000), wk = 0.0020921 k( 186) = ( 0.4545330 0.4545330 0.5000000), wk = 0.0020921 k( 187) = ( 0.4456206 0.4456206 0.5000000), wk = 0.0020921 k( 188) = ( 0.4367082 0.4367082 0.5000000), wk = 0.0020921 k( 189) = ( 0.4277957 0.4277957 0.5000000), wk = 0.0020921 k( 190) = ( 0.4188833 0.4188833 0.5000000), wk = 0.0020921 k( 191) = ( 0.4099709 0.4099709 0.5000000), wk = 0.0020921 k( 192) = ( 0.4010585 0.4010585 0.5000000), wk = 0.0020921 k( 193) = ( 0.3921461 0.3921461 0.5000000), wk = 0.0020921 k( 194) = ( 0.3832337 0.3832337 0.5000000), wk = 0.0020921 k( 195) = ( 0.3743213 0.3743213 0.5000000), wk = 0.0020921 k( 196) = ( 0.3654089 0.3654089 0.5000000), wk = 0.0020921 k( 197) = ( 0.3564965 0.3564965 0.5000000), wk = 0.0020921 k( 198) = ( 0.3475840 0.3475840 0.5000000), wk = 0.0020921 k( 199) = ( 0.3386716 0.3386716 0.5000000), wk = 0.0020921 k( 200) = ( 0.3297592 0.3297592 0.5000000), wk = 0.0020921 k( 201) = ( 0.3208468 0.3208468 0.5000000), wk = 0.0020921 k( 202) = ( 0.3119344 0.3119344 0.5000000), wk = 0.0020921 k( 203) = ( 0.3030220 0.3030220 0.5000000), wk = 0.0020921 k( 204) = ( 0.2941096 0.2941096 0.5000000), wk = 0.0020921 k( 205) = ( 0.2851972 0.2851972 0.5000000), wk = 0.0020921 k( 206) = ( 0.2762848 0.2762848 0.5000000), wk = 0.0020921 k( 207) = ( 0.2673723 0.2673723 0.5000000), wk = 0.0020921 k( 208) = ( 0.2584599 0.2584599 0.5000000), wk = 0.0020921 k( 209) = ( 0.2495475 0.2495475 0.5000000), wk = 0.0020921 k( 210) = ( 0.2406351 0.2406351 0.5000000), wk = 0.0020921 k( 211) = ( 0.2317227 0.2317227 0.5000000), wk = 0.0020921 k( 212) = ( 0.2228103 0.2228103 0.5000000), wk = 0.0020921 k( 213) = ( 0.2138979 0.2138979 0.5000000), wk = 0.0020921 k( 214) = ( 0.2049855 0.2049855 0.5000000), wk = 0.0020921 k( 215) = ( 0.1960730 0.1960730 0.5000000), wk = 0.0020921 k( 216) = ( 0.1871606 0.1871606 0.5000000), wk = 0.0020921 k( 217) = ( 0.1782482 0.1782482 0.5000000), wk = 0.0020921 k( 218) = ( 0.1693358 0.1693358 0.5000000), wk = 0.0020921 k( 219) = ( 0.1604234 0.1604234 0.5000000), wk = 0.0020921 k( 220) = ( 0.1515110 0.1515110 0.5000000), wk = 0.0020921 k( 221) = ( 0.1425986 0.1425986 0.5000000), wk = 0.0020921 k( 222) = ( 0.1336862 0.1336862 0.5000000), wk = 0.0020921 k( 223) = ( 0.1247738 0.1247738 0.5000000), wk = 0.0020921 k( 224) = ( 0.1158614 0.1158613 0.5000000), wk = 0.0020921 k( 225) = ( 0.1069489 0.1069489 0.5000000), wk = 0.0020921 k( 226) = ( 0.0980365 0.0980365 0.5000000), wk = 0.0020921 k( 227) = ( 0.0891241 0.0891241 0.5000000), wk = 0.0020921 k( 228) = ( 0.0802117 0.0802117 0.5000000), wk = 0.0020921 k( 229) = ( 0.0712993 0.0712993 0.5000000), wk = 0.0020921 k( 230) = ( 0.0623869 0.0623869 0.5000000), wk = 0.0020921 k( 231) = ( 0.0534745 0.0534745 0.5000000), wk = 0.0020921 k( 232) = ( 0.0445621 0.0445621 0.5000000), wk = 0.0020921 k( 233) = ( 0.0356496 0.0356496 0.5000000), wk = 0.0020921 k( 234) = ( 0.0267372 0.0267372 0.5000000), wk = 0.0020921 k( 235) = ( 0.0178248 0.0178248 0.5000000), wk = 0.0020921 k( 236) = ( 0.0089124 0.0089124 0.5000000), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089286 -0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267857 -0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0446429 -0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0803571 -0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0982143 -0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1160714 -0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1339286 -0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1517857 -0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1696429 -0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2053571 -0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2232143 -0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2410714 -0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2589286 -0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2767857 -0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2946429 -0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3125000 0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3303571 -0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3482143 -0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3660714 0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3839286 -0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4017857 -0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4196429 -0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4553571 -0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4732143 -0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4910714 -0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 337) = ( -0.4990950 0.5009050 -0.0000000), wk = 0.0020921 k( 338) = ( -0.4990950 0.5009050 -0.0000000), wk = 0.0020921 k( 339) = ( -0.4990950 0.5009050 0.0125000), wk = 0.0020921 k( 340) = ( -0.4990950 0.5009050 0.0250000), wk = 0.0020921 k( 341) = ( -0.4990950 0.5009050 0.0375000), wk = 0.0020921 k( 342) = ( -0.4990950 0.5009050 0.0500000), wk = 0.0020921 k( 343) = ( -0.4990950 0.5009050 0.0625000), wk = 0.0020921 k( 344) = ( -0.4990950 0.5009050 0.0750000), wk = 0.0020921 k( 345) = ( -0.4990950 0.5009050 0.0875000), wk = 0.0020921 k( 346) = ( -0.4990950 0.5009050 0.1000000), wk = 0.0020921 k( 347) = ( -0.4990950 0.5009050 0.1125000), wk = 0.0020921 k( 348) = ( -0.4990950 0.5009050 0.1250000), wk = 0.0020921 k( 349) = ( -0.4990950 0.5009050 0.1375000), wk = 0.0020921 k( 350) = ( -0.4990950 0.5009050 0.1500000), wk = 0.0020921 k( 351) = ( -0.4990950 0.5009050 0.1625000), wk = 0.0020921 k( 352) = ( -0.4990950 0.5009050 0.1750000), wk = 0.0020921 k( 353) = ( -0.4990950 0.5009050 0.1875000), wk = 0.0020921 k( 354) = ( -0.4990950 0.5009050 0.2000000), wk = 0.0020921 k( 355) = ( -0.4990950 0.5009050 0.2125000), wk = 0.0020921 k( 356) = ( -0.4990950 0.5009050 0.2250000), wk = 0.0020921 k( 357) = ( -0.4990950 0.5009050 0.2375000), wk = 0.0020921 k( 358) = ( -0.4990950 0.5009050 0.2500000), wk = 0.0020921 k( 359) = ( -0.4990950 0.5009050 0.2625000), wk = 0.0020921 k( 360) = ( -0.4990950 0.5009050 0.2750000), wk = 0.0020921 k( 361) = ( -0.4990950 0.5009050 0.2875000), wk = 0.0020921 k( 362) = ( -0.4990950 0.5009050 0.3000000), wk = 0.0020921 k( 363) = ( -0.4990950 0.5009050 0.3125000), wk = 0.0020921 k( 364) = ( -0.4990950 0.5009050 0.3250000), wk = 0.0020921 k( 365) = ( -0.4990950 0.5009050 0.3375000), wk = 0.0020921 k( 366) = ( -0.4990950 0.5009050 0.3500000), wk = 0.0020921 k( 367) = ( -0.4990950 0.5009050 0.3625000), wk = 0.0020921 k( 368) = ( -0.4990950 0.5009050 0.3750000), wk = 0.0020921 k( 369) = ( -0.4990950 0.5009050 0.3875000), wk = 0.0020921 k( 370) = ( -0.4990950 0.5009050 0.4000000), wk = 0.0020921 k( 371) = ( -0.4990950 0.5009050 0.4125000), wk = 0.0020921 k( 372) = ( -0.4990950 0.5009050 0.4250000), wk = 0.0020921 k( 373) = ( -0.4990950 0.5009050 0.4375000), wk = 0.0020921 k( 374) = ( -0.4990950 0.5009050 0.4500000), wk = 0.0020921 k( 375) = ( -0.4990950 0.5009050 0.4625000), wk = 0.0020921 k( 376) = ( -0.4990950 0.5009050 0.4750000), wk = 0.0020921 k( 377) = ( -0.4990950 0.5009050 0.4875000), wk = 0.0020921 k( 378) = ( -0.4990950 0.5009050 0.5000000), wk = 0.0020921 k( 379) = ( -0.4990950 0.5009050 0.5000000), wk = 0.0020921 k( 380) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 381) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 382) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0020921 k( 383) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0020921 k( 384) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0020921 k( 385) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0020921 k( 386) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0020921 k( 387) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0020921 k( 388) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0020921 k( 389) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0020921 k( 390) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0020921 k( 391) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0020921 k( 392) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0020921 k( 393) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0020921 k( 394) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0020921 k( 395) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0020921 k( 396) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0020921 k( 397) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0020921 k( 398) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0020921 k( 399) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0020921 k( 400) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0020921 k( 401) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0020921 k( 402) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0020921 k( 403) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0020921 k( 404) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0020921 k( 405) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0020921 k( 406) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0020921 k( 407) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0020921 k( 408) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0020921 k( 409) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0020921 k( 410) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0020921 k( 411) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0020921 k( 412) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0020921 k( 413) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0020921 k( 414) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0020921 k( 415) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0020921 k( 416) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0020921 k( 417) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0020921 k( 418) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0020921 k( 419) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0020921 k( 420) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0020921 k( 421) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0020921 k( 426) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0020921 k( 427) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0020921 k( 428) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0020921 k( 429) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0020921 k( 430) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0020921 k( 431) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0020921 k( 432) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0020921 k( 433) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0020921 k( 434) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0020921 k( 435) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0020921 k( 436) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0020921 k( 437) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0020921 k( 438) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0020921 k( 439) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0020921 k( 440) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0020921 k( 441) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0020921 k( 442) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0020921 k( 443) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0020921 k( 444) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0020921 k( 445) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0020921 k( 446) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0020921 k( 447) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0020921 k( 448) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0020921 k( 449) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0020921 k( 450) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0020921 k( 451) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0020921 k( 452) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0020921 k( 453) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0020921 k( 454) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0020921 k( 455) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0020921 k( 456) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0020921 k( 457) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0020921 k( 458) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0020921 k( 459) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0020921 k( 460) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0020921 k( 461) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0020921 k( 462) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0020921 k( 463) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0020921 k( 464) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0020921 k( 465) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0020921 k( 466) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0020921 k( 467) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0020921 k( 468) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0020921 k( 469) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0020921 k( 470) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0020921 k( 471) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0020921 k( 472) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0020921 k( 473) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0020921 k( 474) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0020921 k( 475) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0020921 k( 476) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0020921 k( 477) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0020921 k( 478) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 Dense grid: 101505 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22095 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 132, 48) NL pseudopotentials 0.11 Mb ( 66, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2117) G-vector shells 0.01 Mb ( 1086) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 132, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.9 secs Computing kpt #: 2 total cpu time spent up to now is 46.0 secs Computing kpt #: 3 total cpu time spent up to now is 48.9 secs Computing kpt #: 4 total cpu time spent up to now is 50.9 secs Computing kpt #: 5 total cpu time spent up to now is 53.4 secs Computing kpt #: 6 total cpu time spent up to now is 55.5 secs Computing kpt #: 7 total cpu time spent up to now is 57.4 secs Computing kpt #: 8 total cpu time spent up to now is 60.5 secs Computing kpt #: 9 total cpu time spent up to now is 62.6 secs Computing kpt #: 10 total cpu time spent up to now is 65.2 secs Computing kpt #: 11 total cpu time spent up to now is 66.8 secs Computing kpt #: 12 total cpu time spent up to now is 68.5 secs Computing kpt #: 13 total cpu time spent up to now is 70.1 secs Computing kpt #: 14 total cpu time spent up to now is 71.5 secs Computing kpt #: 15 total cpu time spent up to now is 73.1 secs Computing kpt #: 16 total cpu time spent up to now is 74.5 secs Computing kpt #: 17 total cpu time spent up to now is 75.8 secs Computing kpt #: 18 total cpu time spent up to now is 77.5 secs Computing kpt #: 19 total cpu time spent up to now is 79.1 secs Computing kpt #: 20 total cpu time spent up to now is 80.8 secs Computing kpt #: 21 total cpu time spent up to now is 82.0 secs Computing kpt #: 22 total cpu time spent up to now is 83.6 secs Computing kpt #: 23 total cpu time spent up to now is 84.9 secs Computing kpt #: 24 total cpu time spent up to now is 86.1 secs Computing kpt #: 25 total cpu time spent up to now is 87.3 secs Computing kpt #: 26 total cpu time spent up to now is 88.5 secs Computing kpt #: 27 total cpu time spent up to now is 89.8 secs Computing kpt #: 28 total cpu time spent up to now is 91.1 secs Computing kpt #: 29 total cpu time spent up to now is 92.3 secs Computing kpt #: 30 total cpu time spent up to now is 93.7 secs Computing kpt #: 31 total cpu time spent up to now is 94.9 secs Computing kpt #: 32 total cpu time spent up to now is 96.1 secs Computing kpt #: 33 total cpu time spent up to now is 97.3 secs Computing kpt #: 34 total cpu time spent up to now is 98.6 secs Computing kpt #: 35 total cpu time spent up to now is 99.8 secs Computing kpt #: 36 total cpu time spent up to now is 101.1 secs Computing kpt #: 37 total cpu time spent up to now is 102.2 secs Computing kpt #: 38 total cpu time spent up to now is 103.4 secs Computing kpt #: 39 total cpu time spent up to now is 104.5 secs Computing kpt #: 40 total cpu time spent up to now is 105.7 secs Computing kpt #: 41 total cpu time spent up to now is 106.8 secs Computing kpt #: 42 total cpu time spent up to now is 108.0 secs Computing kpt #: 43 total cpu time spent up to now is 109.0 secs Computing kpt #: 44 total cpu time spent up to now is 110.2 secs Computing kpt #: 45 total cpu time spent up to now is 111.5 secs Computing kpt #: 46 total cpu time spent up to now is 112.4 secs Computing kpt #: 47 total cpu time spent up to now is 113.4 secs Computing kpt #: 48 total cpu time spent up to now is 114.5 secs Computing kpt #: 49 total cpu time spent up to now is 115.6 secs Computing kpt #: 50 total cpu time spent up to now is 116.5 secs Computing kpt #: 51 total cpu time spent up to now is 117.5 secs Computing kpt #: 52 total cpu time spent up to now is 118.5 secs Computing kpt #: 53 total cpu time spent up to now is 119.6 secs Computing kpt #: 54 total cpu time spent up to now is 120.6 secs Computing kpt #: 55 total cpu time spent up to now is 121.7 secs Computing kpt #: 56 total cpu time spent up to now is 122.8 secs Computing kpt #: 57 total cpu time spent up to now is 123.8 secs Computing kpt #: 58 total cpu time spent up to now is 124.8 secs Computing kpt #: 59 total cpu time spent up to now is 125.9 secs Computing kpt #: 60 total cpu time spent up to now is 126.9 secs Computing kpt #: 61 total cpu time spent up to now is 128.0 secs Computing kpt #: 62 total cpu time spent up to now is 129.0 secs Computing kpt #: 63 total cpu time spent up to now is 129.9 secs Computing kpt #: 64 total cpu time spent up to now is 131.0 secs Computing kpt #: 65 total cpu time spent up to now is 132.0 secs Computing kpt #: 66 total cpu time spent up to now is 133.1 secs Computing kpt #: 67 total cpu time spent up to now is 134.1 secs Computing kpt #: 68 total cpu time spent up to now is 135.2 secs Computing kpt #: 69 total cpu time spent up to now is 136.3 secs Computing kpt #: 70 total cpu time spent up to now is 137.4 secs Computing kpt #: 71 total cpu time spent up to now is 138.6 secs Computing kpt #: 72 total cpu time spent up to now is 139.8 secs Computing kpt #: 73 total cpu time spent up to now is 140.9 secs Computing kpt #: 74 total cpu time spent up to now is 142.2 secs Computing kpt #: 75 total cpu time spent up to now is 143.5 secs Computing kpt #: 76 total cpu time spent up to now is 144.7 secs Computing kpt #: 77 total cpu time spent up to now is 145.8 secs Computing kpt #: 78 total cpu time spent up to now is 147.0 secs Computing kpt #: 79 total cpu time spent up to now is 148.2 secs Computing kpt #: 80 total cpu time spent up to now is 149.5 secs Computing kpt #: 81 total cpu time spent up to now is 150.7 secs Computing kpt #: 82 total cpu time spent up to now is 151.9 secs Computing kpt #: 83 total cpu time spent up to now is 153.1 secs Computing kpt #: 84 total cpu time spent up to now is 154.4 secs Computing kpt #: 85 total cpu time spent up to now is 155.6 secs Computing kpt #: 86 total cpu time spent up to now is 156.9 secs Computing kpt #: 87 total cpu time spent up to now is 158.1 secs Computing kpt #: 88 total cpu time spent up to now is 159.3 secs Computing kpt #: 89 total cpu time spent up to now is 160.5 secs Computing kpt #: 90 total cpu time spent up to now is 161.7 secs Computing kpt #: 91 total cpu time spent up to now is 163.0 secs Computing kpt #: 92 total cpu time spent up to now is 164.3 secs Computing kpt #: 93 total cpu time spent up to now is 165.4 secs Computing kpt #: 94 total cpu time spent up to now is 166.6 secs Computing kpt #: 95 total cpu time spent up to now is 167.7 secs Computing kpt #: 96 total cpu time spent up to now is 169.0 secs Computing kpt #: 97 total cpu time spent up to now is 170.1 secs Computing kpt #: 98 total cpu time spent up to now is 171.2 secs Computing kpt #: 99 total cpu time spent up to now is 172.2 secs Computing kpt #: 100 total cpu time spent up to now is 173.3 secs Computing kpt #: 101 total cpu time spent up to now is 174.5 secs Computing kpt #: 102 total cpu time spent up to now is 175.8 secs Computing kpt #: 103 total cpu time spent up to now is 177.0 secs Computing kpt #: 104 total cpu time spent up to now is 178.2 secs Computing kpt #: 105 total cpu time spent up to now is 179.3 secs Computing kpt #: 106 total cpu time spent up to now is 180.5 secs Computing kpt #: 107 total cpu time spent up to now is 181.8 secs Computing kpt #: 108 total cpu time spent up to now is 182.9 secs Computing kpt #: 109 total cpu time spent up to now is 184.1 secs Computing kpt #: 110 total cpu time spent up to now is 185.3 secs Computing kpt #: 111 total cpu time spent up to now is 186.5 secs Computing kpt #: 112 total cpu time spent up to now is 187.7 secs Computing kpt #: 113 total cpu time spent up to now is 188.9 secs Computing kpt #: 114 total cpu time spent up to now is 190.1 secs Computing kpt #: 115 total cpu time spent up to now is 191.3 secs Computing kpt #: 116 total cpu time spent up to now is 192.5 secs Computing kpt #: 117 total cpu time spent up to now is 193.7 secs Computing kpt #: 118 total cpu time spent up to now is 194.9 secs Computing kpt #: 119 total cpu time spent up to now is 196.1 secs Computing kpt #: 120 total cpu time spent up to now is 197.2 secs Computing kpt #: 121 total cpu time spent up to now is 198.4 secs Computing kpt #: 122 total cpu time spent up to now is 199.5 secs Computing kpt #: 123 total cpu time spent up to now is 200.7 secs Computing kpt #: 124 total cpu time spent up to now is 201.8 secs Computing kpt #: 125 total cpu time spent up to now is 203.0 secs Computing kpt #: 126 total cpu time spent up to now is 204.2 secs Computing kpt #: 127 total cpu time spent up to now is 205.3 secs Computing kpt #: 128 total cpu time spent up to now is 206.4 secs Computing kpt #: 129 total cpu time spent up to now is 207.5 secs Computing kpt #: 130 total cpu time spent up to now is 208.4 secs Computing kpt #: 131 total cpu time spent up to now is 209.5 secs Computing kpt #: 132 total cpu time spent up to now is 210.4 secs Computing kpt #: 133 total cpu time spent up to now is 211.5 secs Computing kpt #: 134 total cpu time spent up to now is 212.5 secs Computing kpt #: 135 total cpu time spent up to now is 213.6 secs Computing kpt #: 136 total cpu time spent up to now is 214.6 secs Computing kpt #: 137 total cpu time spent up to now is 215.6 secs Computing kpt #: 138 total cpu time spent up to now is 216.7 secs Computing kpt #: 139 total cpu time spent up to now is 217.8 secs Computing kpt #: 140 total cpu time spent up to now is 218.8 secs Computing kpt #: 141 total cpu time spent up to now is 219.8 secs Computing kpt #: 142 total cpu time spent up to now is 220.9 secs Computing kpt #: 143 total cpu time spent up to now is 222.0 secs Computing kpt #: 144 total cpu time spent up to now is 223.0 secs Computing kpt #: 145 total cpu time spent up to now is 224.1 secs Computing kpt #: 146 total cpu time spent up to now is 225.1 secs Computing kpt #: 147 total cpu time spent up to now is 226.3 secs Computing kpt #: 148 total cpu time spent up to now is 227.3 secs Computing kpt #: 149 total cpu time spent up to now is 228.4 secs Computing kpt #: 150 total cpu time spent up to now is 230.0 secs Computing kpt #: 151 total cpu time spent up to now is 231.6 secs Computing kpt #: 152 total cpu time spent up to now is 233.2 secs Computing kpt #: 153 total cpu time spent up to now is 234.9 secs Computing kpt #: 154 total cpu time spent up to now is 236.4 secs Computing kpt #: 155 total cpu time spent up to now is 237.7 secs Computing kpt #: 156 total cpu time spent up to now is 239.1 secs Computing kpt #: 157 total cpu time spent up to now is 240.3 secs Computing kpt #: 158 total cpu time spent up to now is 241.9 secs Computing kpt #: 159 total cpu time spent up to now is 243.3 secs Computing kpt #: 160 total cpu time spent up to now is 244.8 secs Computing kpt #: 161 total cpu time spent up to now is 246.6 secs Computing kpt #: 162 total cpu time spent up to now is 248.3 secs Computing kpt #: 163 total cpu time spent up to now is 249.9 secs Computing kpt #: 164 total cpu time spent up to now is 251.5 secs Computing kpt #: 165 total cpu time spent up to now is 253.5 secs Computing kpt #: 166 total cpu time spent up to now is 255.3 secs Computing kpt #: 167 total cpu time spent up to now is 257.1 secs Computing kpt #: 168 total cpu time spent up to now is 259.1 secs Computing kpt #: 169 total cpu time spent up to now is 261.0 secs Computing kpt #: 170 total cpu time spent up to now is 263.0 secs Computing kpt #: 171 total cpu time spent up to now is 265.1 secs Computing kpt #: 172 total cpu time spent up to now is 267.1 secs Computing kpt #: 173 total cpu time spent up to now is 269.5 secs Computing kpt #: 174 total cpu time spent up to now is 272.2 secs Computing kpt #: 175 total cpu time spent up to now is 275.3 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.5 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.7 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.9 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.1 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.1 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.3 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.4 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.5 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.6 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.7 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.8 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.9 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.0 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.1 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.2 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 325.3 secs Computing kpt #: 192 total cpu time spent up to now is 327.6 secs Computing kpt #: 193 total cpu time spent up to now is 330.3 secs Computing kpt #: 194 total cpu time spent up to now is 332.6 secs Computing kpt #: 195 total cpu time spent up to now is 334.5 secs Computing kpt #: 196 total cpu time spent up to now is 336.7 secs Computing kpt #: 197 total cpu time spent up to now is 338.9 secs Computing kpt #: 198 total cpu time spent up to now is 340.9 secs Computing kpt #: 199 total cpu time spent up to now is 342.9 secs Computing kpt #: 200 total cpu time spent up to now is 344.8 secs Computing kpt #: 201 total cpu time spent up to now is 346.4 secs Computing kpt #: 202 total cpu time spent up to now is 348.0 secs Computing kpt #: 203 total cpu time spent up to now is 349.6 secs Computing kpt #: 204 total cpu time spent up to now is 351.1 secs Computing kpt #: 205 total cpu time spent up to now is 352.6 secs Computing kpt #: 206 total cpu time spent up to now is 353.9 secs Computing kpt #: 207 total cpu time spent up to now is 355.2 secs Computing kpt #: 208 total cpu time spent up to now is 356.6 secs Computing kpt #: 209 total cpu time spent up to now is 358.0 secs Computing kpt #: 210 total cpu time spent up to now is 359.2 secs Computing kpt #: 211 total cpu time spent up to now is 360.4 secs Computing kpt #: 212 total cpu time spent up to now is 361.7 secs Computing kpt #: 213 total cpu time spent up to now is 362.9 secs Computing kpt #: 214 total cpu time spent up to now is 364.1 secs Computing kpt #: 215 total cpu time spent up to now is 365.3 secs Computing kpt #: 216 total cpu time spent up to now is 366.5 secs Computing kpt #: 217 total cpu time spent up to now is 367.8 secs Computing kpt #: 218 total cpu time spent up to now is 368.9 secs Computing kpt #: 219 total cpu time spent up to now is 370.2 secs Computing kpt #: 220 total cpu time spent up to now is 371.5 secs Computing kpt #: 221 total cpu time spent up to now is 372.7 secs Computing kpt #: 222 total cpu time spent up to now is 374.1 secs Computing kpt #: 223 total cpu time spent up to now is 375.4 secs Computing kpt #: 224 total cpu time spent up to now is 376.6 secs Computing kpt #: 225 total cpu time spent up to now is 377.7 secs Computing kpt #: 226 total cpu time spent up to now is 378.9 secs Computing kpt #: 227 total cpu time spent up to now is 380.2 secs Computing kpt #: 228 total cpu time spent up to now is 381.3 secs Computing kpt #: 229 total cpu time spent up to now is 382.5 secs Computing kpt #: 230 total cpu time spent up to now is 383.6 secs Computing kpt #: 231 total cpu time spent up to now is 384.6 secs Computing kpt #: 232 total cpu time spent up to now is 385.8 secs Computing kpt #: 233 total cpu time spent up to now is 386.9 secs Computing kpt #: 234 total cpu time spent up to now is 388.0 secs Computing kpt #: 235 total cpu time spent up to now is 388.9 secs Computing kpt #: 236 total cpu time spent up to now is 390.1 secs Computing kpt #: 237 total cpu time spent up to now is 391.3 secs Computing kpt #: 238 total cpu time spent up to now is 392.4 secs Computing kpt #: 239 total cpu time spent up to now is 393.4 secs Computing kpt #: 240 total cpu time spent up to now is 394.5 secs Computing kpt #: 241 total cpu time spent up to now is 395.9 secs Computing kpt #: 242 total cpu time spent up to now is 397.0 secs Computing kpt #: 243 total cpu time spent up to now is 398.1 secs Computing kpt #: 244 total cpu time spent up to now is 399.3 secs Computing kpt #: 245 total cpu time spent up to now is 400.5 secs Computing kpt #: 246 total cpu time spent up to now is 401.7 secs Computing kpt #: 247 total cpu time spent up to now is 402.9 secs Computing kpt #: 248 total cpu time spent up to now is 404.1 secs Computing kpt #: 249 total cpu time spent up to now is 405.3 secs Computing kpt #: 250 total cpu time spent up to now is 406.5 secs Computing kpt #: 251 total cpu time spent up to now is 407.8 secs Computing kpt #: 252 total cpu time spent up to now is 408.9 secs Computing kpt #: 253 total cpu time spent up to now is 410.2 secs Computing kpt #: 254 total cpu time spent up to now is 411.3 secs Computing kpt #: 255 total cpu time spent up to now is 412.6 secs Computing kpt #: 256 total cpu time spent up to now is 413.8 secs Computing kpt #: 257 total cpu time spent up to now is 415.2 secs Computing kpt #: 258 total cpu time spent up to now is 416.4 secs Computing kpt #: 259 total cpu time spent up to now is 417.7 secs Computing kpt #: 260 total cpu time spent up to now is 418.9 secs Computing kpt #: 261 total cpu time spent up to now is 420.2 secs Computing kpt #: 262 total cpu time spent up to now is 421.7 secs Computing kpt #: 263 total cpu time spent up to now is 423.0 secs Computing kpt #: 264 total cpu time spent up to now is 424.3 secs Computing kpt #: 265 total cpu time spent up to now is 426.0 secs Computing kpt #: 266 total cpu time spent up to now is 427.3 secs Computing kpt #: 267 total cpu time spent up to now is 429.0 secs Computing kpt #: 268 total cpu time spent up to now is 430.6 secs Computing kpt #: 269 total cpu time spent up to now is 432.3 secs Computing kpt #: 270 total cpu time spent up to now is 434.4 secs Computing kpt #: 271 total cpu time spent up to now is 436.1 secs Computing kpt #: 272 total cpu time spent up to now is 438.7 secs Computing kpt #: 273 total cpu time spent up to now is 440.5 secs Computing kpt #: 274 total cpu time spent up to now is 442.4 secs Computing kpt #: 275 total cpu time spent up to now is 445.5 secs Computing kpt #: 276 total cpu time spent up to now is 448.2 secs Computing kpt #: 277 total cpu time spent up to now is 450.4 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 453.5 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.6 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.9 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.2 secs Computing kpt #: 282 total cpu time spent up to now is 466.0 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.2 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.5 secs Computing kpt #: 285 total cpu time spent up to now is 474.4 secs Computing kpt #: 286 total cpu time spent up to now is 476.2 secs Computing kpt #: 287 total cpu time spent up to now is 478.1 secs Computing kpt #: 288 total cpu time spent up to now is 479.8 secs Computing kpt #: 289 total cpu time spent up to now is 481.5 secs Computing kpt #: 290 total cpu time spent up to now is 483.3 secs Computing kpt #: 291 total cpu time spent up to now is 485.0 secs Computing kpt #: 292 total cpu time spent up to now is 486.6 secs Computing kpt #: 293 total cpu time spent up to now is 488.2 secs Computing kpt #: 294 total cpu time spent up to now is 489.9 secs Computing kpt #: 295 total cpu time spent up to now is 491.5 secs Computing kpt #: 296 total cpu time spent up to now is 493.2 secs Computing kpt #: 297 total cpu time spent up to now is 494.8 secs Computing kpt #: 298 total cpu time spent up to now is 496.1 secs Computing kpt #: 299 total cpu time spent up to now is 497.4 secs Computing kpt #: 300 total cpu time spent up to now is 498.8 secs Computing kpt #: 301 total cpu time spent up to now is 500.1 secs Computing kpt #: 302 total cpu time spent up to now is 501.3 secs Computing kpt #: 303 total cpu time spent up to now is 502.6 secs Computing kpt #: 304 total cpu time spent up to now is 503.9 secs Computing kpt #: 305 total cpu time spent up to now is 505.2 secs Computing kpt #: 306 total cpu time spent up to now is 506.4 secs Computing kpt #: 307 total cpu time spent up to now is 507.6 secs Computing kpt #: 308 total cpu time spent up to now is 508.8 secs Computing kpt #: 309 total cpu time spent up to now is 510.1 secs Computing kpt #: 310 total cpu time spent up to now is 511.3 secs Computing kpt #: 311 total cpu time spent up to now is 512.8 secs Computing kpt #: 312 total cpu time spent up to now is 513.9 secs Computing kpt #: 313 total cpu time spent up to now is 515.1 secs Computing kpt #: 314 total cpu time spent up to now is 516.5 secs Computing kpt #: 315 total cpu time spent up to now is 517.7 secs Computing kpt #: 316 total cpu time spent up to now is 519.0 secs Computing kpt #: 317 total cpu time spent up to now is 520.3 secs Computing kpt #: 318 total cpu time spent up to now is 521.4 secs Computing kpt #: 319 total cpu time spent up to now is 522.6 secs Computing kpt #: 320 total cpu time spent up to now is 523.9 secs Computing kpt #: 321 total cpu time spent up to now is 525.0 secs Computing kpt #: 322 total cpu time spent up to now is 526.2 secs Computing kpt #: 323 total cpu time spent up to now is 527.1 secs Computing kpt #: 324 total cpu time spent up to now is 528.2 secs Computing kpt #: 325 total cpu time spent up to now is 529.8 secs Computing kpt #: 326 total cpu time spent up to now is 531.0 secs Computing kpt #: 327 total cpu time spent up to now is 532.3 secs Computing kpt #: 328 total cpu time spent up to now is 533.3 secs Computing kpt #: 329 total cpu time spent up to now is 534.3 secs Computing kpt #: 330 total cpu time spent up to now is 535.4 secs Computing kpt #: 331 total cpu time spent up to now is 536.4 secs Computing kpt #: 332 total cpu time spent up to now is 537.4 secs Computing kpt #: 333 total cpu time spent up to now is 538.4 secs Computing kpt #: 334 total cpu time spent up to now is 539.4 secs Computing kpt #: 335 total cpu time spent up to now is 540.5 secs Computing kpt #: 336 total cpu time spent up to now is 541.6 secs Computing kpt #: 337 total cpu time spent up to now is 542.6 secs Computing kpt #: 338 total cpu time spent up to now is 543.5 secs Computing kpt #: 339 total cpu time spent up to now is 544.6 secs Computing kpt #: 340 total cpu time spent up to now is 545.6 secs Computing kpt #: 341 total cpu time spent up to now is 546.6 secs Computing kpt #: 342 total cpu time spent up to now is 547.8 secs Computing kpt #: 343 total cpu time spent up to now is 548.9 secs Computing kpt #: 344 total cpu time spent up to now is 549.9 secs Computing kpt #: 345 total cpu time spent up to now is 551.0 secs Computing kpt #: 346 total cpu time spent up to now is 552.0 secs Computing kpt #: 347 total cpu time spent up to now is 553.3 secs Computing kpt #: 348 total cpu time spent up to now is 554.6 secs Computing kpt #: 349 total cpu time spent up to now is 555.8 secs Computing kpt #: 350 total cpu time spent up to now is 557.0 secs Computing kpt #: 351 total cpu time spent up to now is 558.2 secs Computing kpt #: 352 total cpu time spent up to now is 559.8 secs Computing kpt #: 353 total cpu time spent up to now is 561.2 secs Computing kpt #: 354 total cpu time spent up to now is 562.6 secs Computing kpt #: 355 total cpu time spent up to now is 564.1 secs Computing kpt #: 356 total cpu time spent up to now is 565.5 secs Computing kpt #: 357 total cpu time spent up to now is 567.1 secs Computing kpt #: 358 total cpu time spent up to now is 568.6 secs Computing kpt #: 359 total cpu time spent up to now is 570.4 secs Computing kpt #: 360 total cpu time spent up to now is 572.2 secs Computing kpt #: 361 total cpu time spent up to now is 574.0 secs Computing kpt #: 362 total cpu time spent up to now is 575.8 secs Computing kpt #: 363 total cpu time spent up to now is 577.5 secs Computing kpt #: 364 total cpu time spent up to now is 579.5 secs Computing kpt #: 365 total cpu time spent up to now is 581.5 secs Computing kpt #: 366 total cpu time spent up to now is 583.5 secs Computing kpt #: 367 total cpu time spent up to now is 585.5 secs Computing kpt #: 368 total cpu time spent up to now is 587.5 secs Computing kpt #: 369 total cpu time spent up to now is 589.8 secs Computing kpt #: 370 total cpu time spent up to now is 592.2 secs Computing kpt #: 371 total cpu time spent up to now is 594.8 secs Computing kpt #: 372 total cpu time spent up to now is 597.4 secs Computing kpt #: 373 total cpu time spent up to now is 600.6 secs Computing kpt #: 374 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 603.8 secs Computing kpt #: 375 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 607.0 secs Computing kpt #: 376 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 610.1 secs Computing kpt #: 377 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 613.3 secs Computing kpt #: 378 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 616.5 secs Computing kpt #: 379 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 619.4 secs Computing kpt #: 380 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 622.5 secs Computing kpt #: 381 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.6 secs Computing kpt #: 382 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 628.7 secs Computing kpt #: 383 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 631.9 secs Computing kpt #: 384 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 635.1 secs Computing kpt #: 385 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 638.3 secs Computing kpt #: 386 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 641.4 secs Computing kpt #: 387 total cpu time spent up to now is 644.2 secs Computing kpt #: 388 total cpu time spent up to now is 646.8 secs Computing kpt #: 389 total cpu time spent up to now is 649.0 secs Computing kpt #: 390 total cpu time spent up to now is 651.5 secs Computing kpt #: 391 total cpu time spent up to now is 653.8 secs Computing kpt #: 392 total cpu time spent up to now is 655.8 secs Computing kpt #: 393 total cpu time spent up to now is 657.8 secs Computing kpt #: 394 total cpu time spent up to now is 660.0 secs Computing kpt #: 395 total cpu time spent up to now is 662.0 secs Computing kpt #: 396 total cpu time spent up to now is 664.0 secs Computing kpt #: 397 total cpu time spent up to now is 665.9 secs Computing kpt #: 398 total cpu time spent up to now is 667.7 secs Computing kpt #: 399 total cpu time spent up to now is 669.3 secs Computing kpt #: 400 total cpu time spent up to now is 670.9 secs Computing kpt #: 401 total cpu time spent up to now is 672.5 secs Computing kpt #: 402 total cpu time spent up to now is 674.1 secs Computing kpt #: 403 total cpu time spent up to now is 675.5 secs Computing kpt #: 404 total cpu time spent up to now is 677.0 secs Computing kpt #: 405 total cpu time spent up to now is 678.3 secs Computing kpt #: 406 total cpu time spent up to now is 679.6 secs Computing kpt #: 407 total cpu time spent up to now is 680.9 secs Computing kpt #: 408 total cpu time spent up to now is 682.2 secs Computing kpt #: 409 total cpu time spent up to now is 683.3 secs Computing kpt #: 410 total cpu time spent up to now is 684.6 secs Computing kpt #: 411 total cpu time spent up to now is 685.6 secs Computing kpt #: 412 total cpu time spent up to now is 686.7 secs Computing kpt #: 413 total cpu time spent up to now is 687.7 secs Computing kpt #: 414 total cpu time spent up to now is 688.8 secs Computing kpt #: 415 total cpu time spent up to now is 689.9 secs Computing kpt #: 416 total cpu time spent up to now is 690.9 secs Computing kpt #: 417 total cpu time spent up to now is 691.9 secs Computing kpt #: 418 total cpu time spent up to now is 693.0 secs Computing kpt #: 419 total cpu time spent up to now is 693.9 secs Computing kpt #: 420 total cpu time spent up to now is 694.9 secs Computing kpt #: 421 total cpu time spent up to now is 695.9 secs Computing kpt #: 422 total cpu time spent up to now is 697.2 secs Computing kpt #: 423 total cpu time spent up to now is 698.3 secs Computing kpt #: 424 total cpu time spent up to now is 699.5 secs Computing kpt #: 425 total cpu time spent up to now is 700.7 secs Computing kpt #: 426 total cpu time spent up to now is 702.0 secs Computing kpt #: 427 total cpu time spent up to now is 703.2 secs Computing kpt #: 428 total cpu time spent up to now is 704.3 secs Computing kpt #: 429 total cpu time spent up to now is 705.5 secs Computing kpt #: 430 total cpu time spent up to now is 706.7 secs Computing kpt #: 431 total cpu time spent up to now is 708.0 secs Computing kpt #: 432 total cpu time spent up to now is 709.2 secs Computing kpt #: 433 total cpu time spent up to now is 710.4 secs Computing kpt #: 434 total cpu time spent up to now is 711.7 secs Computing kpt #: 435 total cpu time spent up to now is 712.9 secs Computing kpt #: 436 total cpu time spent up to now is 714.2 secs Computing kpt #: 437 total cpu time spent up to now is 715.4 secs Computing kpt #: 438 total cpu time spent up to now is 716.7 secs Computing kpt #: 439 total cpu time spent up to now is 717.8 secs Computing kpt #: 440 total cpu time spent up to now is 719.0 secs Computing kpt #: 441 total cpu time spent up to now is 720.4 secs Computing kpt #: 442 total cpu time spent up to now is 721.6 secs Computing kpt #: 443 total cpu time spent up to now is 723.1 secs Computing kpt #: 444 total cpu time spent up to now is 724.5 secs Computing kpt #: 445 total cpu time spent up to now is 725.8 secs Computing kpt #: 446 total cpu time spent up to now is 727.1 secs Computing kpt #: 447 total cpu time spent up to now is 728.3 secs Computing kpt #: 448 total cpu time spent up to now is 729.5 secs Computing kpt #: 449 total cpu time spent up to now is 731.0 secs Computing kpt #: 450 total cpu time spent up to now is 732.4 secs Computing kpt #: 451 total cpu time spent up to now is 733.6 secs Computing kpt #: 452 total cpu time spent up to now is 735.0 secs Computing kpt #: 453 total cpu time spent up to now is 736.5 secs Computing kpt #: 454 total cpu time spent up to now is 737.8 secs Computing kpt #: 455 total cpu time spent up to now is 739.2 secs Computing kpt #: 456 total cpu time spent up to now is 740.8 secs Computing kpt #: 457 total cpu time spent up to now is 742.3 secs Computing kpt #: 458 total cpu time spent up to now is 744.1 secs Computing kpt #: 459 total cpu time spent up to now is 745.9 secs Computing kpt #: 460 total cpu time spent up to now is 747.9 secs Computing kpt #: 461 total cpu time spent up to now is 749.9 secs Computing kpt #: 462 total cpu time spent up to now is 752.1 secs Computing kpt #: 463 total cpu time spent up to now is 754.4 secs Computing kpt #: 464 total cpu time spent up to now is 756.6 secs Computing kpt #: 465 total cpu time spent up to now is 759.1 secs Computing kpt #: 466 total cpu time spent up to now is 761.2 secs Computing kpt #: 467 total cpu time spent up to now is 763.5 secs Computing kpt #: 468 total cpu time spent up to now is 765.4 secs Computing kpt #: 469 total cpu time spent up to now is 768.5 secs Computing kpt #: 470 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 771.6 secs Computing kpt #: 471 total cpu time spent up to now is 774.4 secs Computing kpt #: 472 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 777.5 secs Computing kpt #: 473 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 780.6 secs Computing kpt #: 474 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 783.8 secs Computing kpt #: 475 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 787.0 secs Computing kpt #: 476 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 790.2 secs Computing kpt #: 477 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 793.5 secs Computing kpt #: 478 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 796.4 secs ethr = 2.50E-11, avg # of iterations = 41.9 total cpu time spent up to now is 796.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -46.2870 -46.2870 -22.9613 -22.9613 -22.3054 -22.3054 -22.2992 -22.2992 -14.4613 -14.4613 -6.5673 -6.5673 -5.8942 -5.8942 -5.8934 -5.8934 -1.0016 -1.0016 0.9117 0.9117 0.9209 0.9209 7.8630 7.8630 8.0779 8.0779 8.0874 8.0874 9.1688 9.1688 9.1766 9.1766 9.2005 9.2005 10.0417 10.0417 10.1651 10.1651 10.1850 10.1850 12.0971 12.0971 12.1141 12.1141 12.1461 12.1461 14.2503 14.2503 k = 0.0089 0.0089-0.0000 ( 2777 PWs) bands (ev): -46.2870 -46.2870 -22.9613 -22.9613 -22.3055 -22.3055 -22.2992 -22.2992 -14.4611 -14.4611 -6.5673 -6.5673 -5.8942 -5.8942 -5.8934 -5.8934 -1.0012 -1.0012 0.9123 0.9123 0.9210 0.9210 7.8620 7.8620 8.0767 8.0767 8.0860 8.0860 9.1659 9.1659 9.1744 9.1744 9.2002 9.2002 10.0392 10.0392 10.1621 10.1621 10.1835 10.1835 12.0988 12.0988 12.1165 12.1165 12.1490 12.1490 14.2541 14.2541 k = 0.0178 0.0179-0.0000 ( 2779 PWs) bands (ev): -46.2870 -46.2870 -22.9614 -22.9614 -22.3056 -22.3056 -22.2992 -22.2992 -14.4606 -14.4606 -6.5674 -6.5674 -5.8940 -5.8940 -5.8933 -5.8933 -1.0002 -1.0002 0.9142 0.9142 0.9216 0.9216 7.8589 7.8589 8.0727 8.0727 8.0824 8.0824 9.1567 9.1567 9.1678 9.1678 9.1997 9.1997 10.0316 10.0316 10.1533 10.1533 10.1790 10.1790 12.1039 12.1039 12.1235 12.1235 12.1577 12.1577 14.2607 14.2607 k = 0.0267 0.0268-0.0000 ( 2779 PWs) bands (ev): -46.2870 -46.2870 -22.9615 -22.9615 -22.3058 -22.3058 -22.2993 -22.2993 -14.4597 -14.4597 -6.5675 -6.5675 -5.8937 -5.8937 -5.8931 -5.8931 -0.9984 -0.9984 0.9169 0.9169 0.9229 0.9229 7.8537 7.8537 8.0648 8.0648 8.0778 8.0778 9.1407 9.1407 9.1576 9.1576 9.1992 9.1992 10.0186 10.0186 10.1391 10.1391 10.1717 10.1717 12.1121 12.1121 12.1349 12.1349 12.1723 12.1723 14.2671 14.2671 k = 0.0356 0.0357-0.0000 ( 2777 PWs) bands (ev): -46.2870 -46.2870 -22.9617 -22.9617 -22.3060 -22.3060 -22.2994 -22.2994 -14.4585 -14.4585 -6.5677 -6.5677 -5.8934 -5.8934 -5.8927 -5.8927 -0.9960 -0.9960 0.9196 0.9196 0.9258 0.9258 7.8462 7.8462 8.0528 8.0528 8.0727 8.0727 9.1179 9.1179 9.1439 9.1439 9.1990 9.1990 9.9997 9.9997 10.1203 10.1203 10.1617 10.1617 12.1235 12.1235 12.1503 12.1503 12.1927 12.1927 14.2760 14.2760 k = 0.0446 0.0446-0.0000 ( 2769 PWs) bands (ev): -46.2870 -46.2870 -22.9618 -22.9618 -22.3063 -22.3063 -22.2994 -22.2994 -14.4569 -14.4569 -6.5679 -6.5679 -5.8930 -5.8930 -5.8922 -5.8922 -0.9929 -0.9929 0.9216 0.9216 0.9309 0.9309 7.8361 7.8361 8.0373 8.0373 8.0667 8.0667 9.0890 9.0890 9.1267 9.1267 9.1989 9.1989 9.9745 9.9745 10.0983 10.0983 10.1491 10.1491 12.1377 12.1377 12.1695 12.1695 12.2187 12.2187 14.2872 14.2872 k = 0.0535 0.0536-0.0000 ( 2773 PWs) bands (ev): -46.2869 -46.2869 -22.9621 -22.9621 -22.3068 -22.3068 -22.2996 -22.2996 -14.4550 -14.4550 -6.5682 -6.5682 -5.8926 -5.8926 -5.8914 -5.8914 -0.9893 -0.9893 0.9232 0.9232 0.9378 0.9378 7.8231 7.8231 8.0190 8.0190 8.0597 8.0597 9.0546 9.0546 9.1062 9.1062 9.1990 9.1990 9.9423 9.9423 10.0741 10.0741 10.1342 10.1342 12.1548 12.1548 12.1922 12.1922 12.2498 12.2498 14.3006 14.3006 k = 0.0624 0.0625-0.0000 ( 2773 PWs) bands (ev): -46.2869 -46.2869 -22.9623 -22.9623 -22.3073 -22.3073 -22.2997 -22.2997 -14.4528 -14.4528 -6.5684 -6.5684 -5.8921 -5.8921 -5.8904 -5.8904 -0.9850 -0.9850 0.9248 0.9248 0.9460 0.9460 7.8066 7.8066 7.9984 7.9984 8.0516 8.0516 9.0153 9.0153 9.0825 9.0825 9.1994 9.1994 9.9032 9.9032 10.0487 10.0487 10.1171 10.1171 12.1746 12.1746 12.2182 12.2182 12.2853 12.2853 14.3160 14.3160 k = 0.0713 0.0714-0.0000 ( 2781 PWs) bands (ev): -46.2869 -46.2869 -22.9627 -22.9627 -22.3079 -22.3079 -22.2999 -22.2999 -14.4502 -14.4502 -6.5688 -6.5688 -5.8916 -5.8916 -5.8892 -5.8892 -0.9803 -0.9803 0.9265 0.9265 0.9554 0.9554 7.7864 7.7864 7.9763 7.9763 8.0425 8.0425 8.9717 8.9717 9.0559 9.0559 9.1999 9.1999 9.8574 9.8574 10.0228 10.0228 10.0979 10.0979 12.1969 12.1969 12.2475 12.2475 12.3247 12.3247 14.3333 14.3333 k = 0.0802 0.0804-0.0000 ( 2775 PWs) bands (ev): -46.2869 -46.2869 -22.9630 -22.9630 -22.3085 -22.3085 -22.3001 -22.3001 -14.4474 -14.4474 -6.5691 -6.5691 -5.8910 -5.8910 -5.8877 -5.8877 -0.9751 -0.9751 0.9284 0.9284 0.9658 0.9658 7.7618 7.7618 7.9532 7.9532 8.0324 8.0324 8.9243 8.9243 9.0266 9.0266 9.2008 9.2008 9.8057 9.8057 9.9966 9.9966 10.0768 10.0768 12.2216 12.2216 12.2797 12.2797 12.3674 12.3674 14.3524 14.3524 k = 0.0891 0.0893-0.0000 ( 2771 PWs) bands (ev): -46.2869 -46.2869 -22.9634 -22.9634 -22.3091 -22.3091 -22.3003 -22.3003 -14.4443 -14.4443 -6.5694 -6.5694 -5.8904 -5.8904 -5.8859 -5.8859 -0.9696 -0.9696 0.9304 0.9304 0.9770 0.9770 7.7327 7.7327 7.9294 7.9294 8.0214 8.0214 8.8736 8.8736 8.9949 8.9949 9.2019 9.2019 9.7491 9.7491 9.9702 9.9702 10.0540 10.0540 12.2487 12.2487 12.3146 12.3146 12.4127 12.4127 14.3729 14.3729 k = 0.0980 0.0982-0.0000 ( 2775 PWs) bands (ev): -46.2868 -46.2868 -22.9639 -22.9639 -22.3100 -22.3100 -22.3005 -22.3005 -14.4409 -14.4409 -6.5698 -6.5698 -5.8897 -5.8897 -5.8838 -5.8838 -0.9637 -0.9637 0.9326 0.9326 0.9890 0.9890 7.6990 7.6990 7.9053 7.9053 8.0096 8.0096 8.8202 8.8202 8.9610 8.9610 9.2033 9.2033 9.6883 9.6883 9.9438 9.9438 10.0297 10.0297 12.2781 12.2781 12.3519 12.3519 12.4604 12.4604 14.3948 14.3948 k = 0.1069 0.1071-0.0000 ( 2771 PWs) bands (ev): -46.2868 -46.2868 -22.9644 -22.9644 -22.3108 -22.3108 -22.3007 -22.3007 -14.4372 -14.4372 -6.5701 -6.5701 -5.8889 -5.8889 -5.8813 -5.8813 -0.9575 -0.9575 0.9350 0.9350 1.0015 1.0015 7.6609 7.6609 7.8806 7.8806 7.9972 7.9972 8.7643 8.7643 8.9252 8.9252 9.2052 9.2052 9.6245 9.6245 9.9174 9.9174 10.0041 10.0041 12.3095 12.3095 12.3914 12.3914 12.5098 12.5098 14.4178 14.4178 k = 0.1159 0.1161-0.0000 ( 2773 PWs) bands (ev): -46.2868 -46.2868 -22.9649 -22.9649 -22.3117 -22.3117 -22.3010 -22.3010 -14.4333 -14.4333 -6.5703 -6.5703 -5.8881 -5.8881 -5.8785 -5.8785 -0.9512 -0.9512 0.9376 0.9376 1.0145 1.0145 7.6189 7.6189 7.8553 7.8553 7.9844 7.9844 8.7064 8.7064 8.8877 8.8877 9.2074 9.2074 9.5584 9.5584 9.8911 9.8911 9.9776 9.9776 12.3428 12.3428 12.4328 12.4328 12.5607 12.5607 14.4418 14.4418 k = 0.1248 0.1250-0.0000 ( 2769 PWs) bands (ev): -46.2867 -46.2867 -22.9654 -22.9654 -22.3126 -22.3126 -22.3012 -22.3012 -14.4291 -14.4291 -6.5705 -6.5705 -5.8872 -5.8872 -5.8754 -5.8754 -0.9447 -0.9447 0.9403 0.9403 1.0277 1.0277 7.5735 7.5735 7.8289 7.8289 7.9712 7.9712 8.6466 8.6466 8.8488 8.8488 9.2100 9.2100 9.4909 9.4909 9.8649 9.8649 9.9504 9.9504 12.3780 12.3780 12.4758 12.4758 12.6126 12.6126 14.4665 14.4665 k = 0.1337 0.1339-0.0000 ( 2767 PWs) bands (ev): -46.2867 -46.2867 -22.9660 -22.9660 -22.3136 -22.3136 -22.3015 -22.3015 -14.4247 -14.4247 -6.5705 -6.5705 -5.8862 -5.8862 -5.8718 -5.8718 -0.9381 -0.9381 0.9431 0.9431 1.0410 1.0410 7.5254 7.5254 7.8011 7.8011 7.9578 7.9578 8.5852 8.5852 8.8087 8.8087 9.2131 9.2131 9.4230 9.4230 9.8387 9.8387 9.9232 9.9232 12.4149 12.4149 12.5202 12.5202 12.6655 12.6655 14.4919 14.4919 k = 0.1426 0.1429-0.0000 ( 2767 PWs) bands (ev): -46.2866 -46.2866 -22.9666 -22.9666 -22.3147 -22.3147 -22.3018 -22.3018 -14.4202 -14.4202 -6.5704 -6.5704 -5.8852 -5.8852 -5.8679 -5.8679 -0.9315 -0.9315 0.9461 0.9461 1.0543 1.0543 7.4749 7.4749 7.7718 7.7718 7.9443 7.9443 8.5221 8.5221 8.7676 8.7676 9.2165 9.2165 9.3554 9.3554 9.8121 9.8121 9.8967 9.8967 12.4533 12.4533 12.5657 12.5657 12.7189 12.7189 14.5177 14.5177 k = 0.1515 0.1518-0.0000 ( 2763 PWs) bands (ev): -46.2866 -46.2866 -22.9672 -22.9672 -22.3158 -22.3158 -22.3021 -22.3021 -14.4155 -14.4155 -6.5701 -6.5701 -5.8841 -5.8841 -5.8636 -5.8636 -0.9250 -0.9250 0.9491 0.9491 1.0674 1.0674 7.4227 7.4227 7.7407 7.7407 7.9308 7.9308 8.4575 8.4575 8.7257 8.7257 9.2202 9.2202 9.2891 9.2891 9.7845 9.7845 9.8716 9.8716 12.4931 12.4931 12.6122 12.6122 12.7728 12.7728 14.5439 14.5439 k = 0.1604 0.1607-0.0000 ( 2758 PWs) bands (ev): -46.2865 -46.2865 -22.9679 -22.9679 -22.3169 -22.3169 -22.3024 -22.3024 -14.4106 -14.4106 -6.5696 -6.5696 -5.8830 -5.8830 -5.8590 -5.8590 -0.9186 -0.9186 0.9523 0.9523 1.0801 1.0801 7.3693 7.3693 7.7077 7.7077 7.9173 7.9173 8.3914 8.3914 8.6832 8.6832 9.2188 9.2188 9.2300 9.2300 9.7554 9.7554 9.8491 9.8491 12.5342 12.5342 12.6594 12.6594 12.8270 12.8270 14.5702 14.5702 k = 0.1693 0.1696-0.0000 ( 2758 PWs) bands (ev): -46.2865 -46.2865 -22.9686 -22.9686 -22.3181 -22.3181 -22.3027 -22.3027 -14.4055 -14.4055 -6.5687 -6.5687 -5.8818 -5.8818 -5.8541 -5.8541 -0.9123 -0.9123 0.9555 0.9555 1.0923 1.0923 7.3150 7.3150 7.6729 7.6729 7.9039 7.9039 8.3236 8.3236 8.6403 8.6403 9.1616 9.1616 9.2300 9.2300 9.7244 9.7244 9.8297 9.8297 12.5765 12.5765 12.7071 12.7071 12.8814 12.8814 14.5965 14.5965 k = 0.1782 0.1786-0.0000 ( 2754 PWs) bands (ev): -46.2865 -46.2865 -22.9692 -22.9692 -22.3193 -22.3193 -22.3030 -22.3030 -14.4004 -14.4004 -6.5675 -6.5675 -5.8806 -5.8806 -5.8489 -5.8489 -0.9063 -0.9063 0.9588 0.9588 1.1039 1.1039 7.2603 7.2603 7.6362 7.6362 7.8906 7.8906 8.2542 8.2542 8.5972 8.5972 9.1032 9.1032 9.2347 9.2347 9.6913 9.6913 9.8139 9.8139 12.6197 12.6197 12.7551 12.7551 12.9358 12.9358 14.6228 14.6228 k = 0.1872 0.1875-0.0000 ( 2752 PWs) bands (ev): -46.2864 -46.2864 -22.9700 -22.9700 -22.3205 -22.3205 -22.3034 -22.3034 -14.3952 -14.3952 -6.5659 -6.5659 -5.8793 -5.8793 -5.8434 -5.8434 -0.9005 -0.9005 0.9621 0.9621 1.1146 1.1146 7.2055 7.2055 7.5978 7.5978 7.8772 7.8772 8.1833 8.1833 8.5540 8.5540 9.0488 9.0488 9.2398 9.2398 9.6563 9.6563 9.8015 9.8015 12.6638 12.6638 12.8032 12.8032 12.9901 12.9901 14.6489 14.6489 k = 0.1961 0.1964-0.0000 ( 2752 PWs) bands (ev): -46.2864 -46.2864 -22.9707 -22.9707 -22.3218 -22.3218 -22.3037 -22.3037 -14.3898 -14.3898 -6.5638 -6.5638 -5.8780 -5.8780 -5.8377 -5.8377 -0.8950 -0.8950 0.9653 0.9653 1.1245 1.1245 7.1508 7.1508 7.5578 7.5578 7.8638 7.8638 8.1109 8.1109 8.5108 8.5108 8.9989 8.9989 9.2452 9.2452 9.6197 9.6197 9.7927 9.7927 12.7087 12.7087 12.8513 12.8513 13.0443 13.0443 14.6747 14.6747 k = 0.2050 0.2054-0.0000 ( 2752 PWs) bands (ev): -46.2863 -46.2863 -22.9715 -22.9715 -22.3231 -22.3231 -22.3041 -22.3041 -14.3845 -14.3845 -6.5613 -6.5613 -5.8766 -5.8766 -5.8319 -5.8319 -0.8898 -0.8898 0.9685 0.9685 1.1333 1.1333 7.0966 7.0966 7.5164 7.5164 7.8500 7.8500 8.0375 8.0375 8.4678 8.4678 8.9540 8.9540 9.2507 9.2507 9.5819 9.5819 9.7870 9.7870 12.7541 12.7541 12.8992 12.8992 13.0982 13.0982 14.7001 14.7001 k = 0.2139 0.2143-0.0000 ( 2752 PWs) bands (ev): -46.2863 -46.2863 -22.9722 -22.9722 -22.3244 -22.3244 -22.3045 -22.3045 -14.3791 -14.3791 -6.5582 -6.5582 -5.8752 -5.8752 -5.8259 -5.8259 -0.8850 -0.8850 0.9716 0.9716 1.1411 1.1411 7.0431 7.0431 7.4738 7.4738 7.8350 7.8350 7.9640 7.9640 8.4252 8.4252 8.9144 8.9144 9.2564 9.2564 9.5432 9.5432 9.7844 9.7844 12.8000 12.8000 12.9468 12.9468 13.1519 13.1519 14.7250 14.7250 k = 0.2228 0.2232-0.0000 ( 2752 PWs) bands (ev): -46.2862 -46.2862 -22.9730 -22.9730 -22.3258 -22.3258 -22.3048 -22.3048 -14.3736 -14.3736 -6.5545 -6.5545 -5.8738 -5.8738 -5.8200 -5.8200 -0.8806 -0.8806 0.9745 0.9745 1.1478 1.1478 6.9903 6.9903 7.4301 7.4301 7.8154 7.8154 7.8941 7.8941 8.3829 8.3829 8.8805 8.8805 9.2620 9.2620 9.5037 9.5037 9.7847 9.7847 12.8463 12.8463 12.9939 12.9939 13.2052 13.2052 14.7494 14.7494 k = 0.2317 0.2321-0.0000 ( 2750 PWs) bands (ev): -46.2861 -46.2861 -22.9738 -22.9738 -22.3271 -22.3271 -22.3052 -22.3052 -14.3682 -14.3682 -6.5502 -6.5502 -5.8723 -5.8723 -5.8140 -5.8140 -0.8766 -0.8766 0.9772 0.9772 1.1533 1.1533 6.9385 6.9385 7.3856 7.3856 7.7766 7.7766 7.8426 7.8426 8.3413 8.3413 8.8523 8.8523 9.2676 9.2676 9.4639 9.4639 9.7877 9.7877 12.8927 12.8927 13.0404 13.0404 13.2581 13.2581 14.7732 14.7732 k = 0.2406 0.2411-0.0000 ( 2754 PWs) bands (ev): -46.2861 -46.2861 -22.9746 -22.9746 -22.3285 -22.3285 -22.3055 -22.3055 -14.3628 -14.3628 -6.5452 -6.5452 -5.8708 -5.8708 -5.8081 -5.8081 -0.8730 -0.8730 0.9797 0.9797 1.1578 1.1578 6.8878 6.8878 7.3404 7.3404 7.7103 7.7103 7.8181 7.8181 8.3002 8.3002 8.8299 8.8299 9.2730 9.2730 9.4239 9.4239 9.7933 9.7933 12.9392 12.9392 13.0862 13.0862 13.3105 13.3105 14.7963 14.7963 k = 0.2495 0.2500-0.0000 ( 2754 PWs) bands (ev): -46.2860 -46.2860 -22.9754 -22.9754 -22.3298 -22.3298 -22.3059 -22.3059 -14.3575 -14.3575 -6.5394 -6.5394 -5.8693 -5.8693 -5.8024 -5.8024 -0.8699 -0.8699 0.9817 0.9817 1.1612 1.1612 6.8382 6.8382 7.2949 7.2949 7.6347 7.6347 7.8028 7.8028 8.2599 8.2599 8.8133 8.8133 9.2777 9.2777 9.3845 9.3845 9.8012 9.8012 12.9857 12.9857 13.1312 13.1312 13.3624 13.3624 14.8187 14.8187 k = 0.2585 0.2589-0.0000 ( 2750 PWs) bands (ev): -46.2860 -46.2860 -22.9762 -22.9762 -22.3312 -22.3312 -22.3062 -22.3062 -14.3522 -14.3522 -6.5329 -6.5329 -5.8678 -5.8678 -5.7970 -5.7970 -0.8672 -0.8672 0.9834 0.9834 1.1637 1.1637 6.7898 6.7898 7.2491 7.2491 7.5568 7.5568 7.7900 7.7900 8.2204 8.2204 8.8023 8.8023 9.2803 9.2803 9.3471 9.3471 9.8112 9.8112 13.0320 13.0320 13.1753 13.1753 13.4136 13.4136 14.8404 14.8404 k = 0.2674 0.2679-0.0000 ( 2750 PWs) bands (ev): -46.2859 -46.2859 -22.9770 -22.9770 -22.3325 -22.3325 -22.3066 -22.3066 -14.3469 -14.3469 -6.5257 -6.5257 -5.8663 -5.8663 -5.7918 -5.7918 -0.8650 -0.8650 0.9844 0.9844 1.1653 1.1653 6.7426 6.7426 7.2033 7.2033 7.4783 7.4783 7.7783 7.7783 8.1818 8.1818 8.7970 8.7970 9.2739 9.2739 9.3188 9.3188 9.8232 9.8232 13.0780 13.0780 13.2184 13.2184 13.4641 13.4641 14.8612 14.8612 k = 0.2763 0.2768-0.0000 ( 2754 PWs) bands (ev): -46.2859 -46.2859 -22.9778 -22.9778 -22.3339 -22.3339 -22.3069 -22.3069 -14.3418 -14.3418 -6.5177 -6.5177 -5.8648 -5.8648 -5.7869 -5.7869 -0.8633 -0.8633 0.9848 0.9848 1.1663 1.1663 6.6968 6.6968 7.1577 7.1577 7.4001 7.4001 7.7673 7.7673 8.1441 8.1441 8.7969 8.7969 9.2474 9.2474 9.3110 9.3110 9.8369 9.8369 13.1236 13.1236 13.2604 13.2604 13.5137 13.5137 14.8812 14.8812 k = 0.2852 0.2857-0.0000 ( 2748 PWs) bands (ev): -46.2858 -46.2858 -22.9785 -22.9785 -22.3352 -22.3352 -22.3073 -22.3073 -14.3368 -14.3368 -6.5089 -6.5089 -5.8633 -5.8633 -5.7825 -5.7825 -0.8620 -0.8620 0.9845 0.9845 1.1667 1.1667 6.6522 6.6522 7.1125 7.1125 7.3226 7.3226 7.7569 7.7569 8.1075 8.1075 8.8021 8.8021 9.2110 9.2110 9.3135 9.3135 9.8521 9.8521 13.1686 13.1686 13.3013 13.3013 13.5625 13.5625 14.9004 14.9004 k = 0.2941 0.2946-0.0000 ( 2750 PWs) bands (ev): -46.2858 -46.2858 -22.9793 -22.9793 -22.3365 -22.3365 -22.3076 -22.3076 -14.3319 -14.3319 -6.4993 -6.4993 -5.8618 -5.8618 -5.7786 -5.7786 -0.8612 -0.8612 0.9834 0.9834 1.1668 1.1668 6.6089 6.6089 7.0678 7.0678 7.2463 7.2463 7.7468 7.7468 8.0719 8.0719 8.8120 8.8120 9.1726 9.1726 9.3184 9.3184 9.8687 9.8687 13.2129 13.2129 13.3409 13.3409 13.6103 13.6103 14.9186 14.9186 k = 0.3030 0.3036-0.0000 ( 2742 PWs) bands (ev): -46.2857 -46.2857 -22.9800 -22.9800 -22.3377 -22.3377 -22.3079 -22.3079 -14.3271 -14.3271 -6.4889 -6.4889 -5.8603 -5.8603 -5.7753 -5.7753 -0.8608 -0.8608 0.9813 0.9813 1.1667 1.1667 6.5670 6.5670 7.0238 7.0238 7.1714 7.1714 7.7373 7.7373 8.0376 8.0376 8.8266 8.8266 9.1339 9.1339 9.3242 9.3242 9.8864 9.8864 13.2564 13.2564 13.3792 13.3792 13.6570 13.6570 14.9360 14.9360 k = 0.3119 0.3125-0.0000 ( 2738 PWs) bands (ev): -46.2857 -46.2857 -22.9808 -22.9808 -22.3390 -22.3390 -22.3082 -22.3082 -14.3225 -14.3225 -6.4777 -6.4777 -5.8588 -5.8588 -5.7725 -5.7725 -0.8608 -0.8608 0.9783 0.9783 1.1666 1.1666 6.5264 6.5264 6.9807 6.9807 7.0982 7.0982 7.7282 7.7282 8.0044 8.0044 8.8453 8.8453 9.0957 9.0957 9.3305 9.3305 9.9049 9.9049 13.2990 13.2990 13.4162 13.4162 13.7025 13.7025 14.9525 14.9525 k = 0.3208 0.3214-0.0000 ( 2748 PWs) bands (ev): -46.2856 -46.2856 -22.9815 -22.9815 -22.3402 -22.3402 -22.3085 -22.3085 -14.3180 -14.3180 -6.4658 -6.4658 -5.8574 -5.8574 -5.7704 -5.7704 -0.8612 -0.8612 0.9742 0.9742 1.1666 1.1666 6.4871 6.4871 6.9386 6.9386 7.0271 7.0271 7.7195 7.7195 7.9724 7.9724 8.8678 8.8678 9.0581 9.0581 9.3370 9.3370 9.9242 9.9242 13.3406 13.3406 13.4518 13.4518 13.7467 13.7467 14.9680 14.9680 k = 0.3298 0.3304-0.0000 ( 2744 PWs) bands (ev): -46.2856 -46.2856 -22.9822 -22.9822 -22.3414 -22.3414 -22.3088 -22.3088 -14.3137 -14.3137 -6.4532 -6.4532 -5.8559 -5.8559 -5.7690 -5.7690 -0.8620 -0.8620 0.9693 0.9693 1.1668 1.1668 6.4492 6.4492 6.8977 6.8977 6.9584 6.9584 7.7112 7.7112 7.9418 7.9418 8.8937 8.8937 9.0214 9.0214 9.3436 9.3436 9.9439 9.9439 13.3810 13.3810 13.4859 13.4859 13.7896 13.7896 14.9826 14.9826 k = 0.3387 0.3393-0.0000 ( 2740 PWs) bands (ev): -46.2855 -46.2855 -22.9829 -22.9829 -22.3425 -22.3425 -22.3091 -22.3091 -14.3096 -14.3096 -6.4400 -6.4400 -5.8546 -5.8546 -5.7683 -5.7683 -0.8632 -0.8632 0.9634 0.9634 1.1674 1.1674 6.4126 6.4126 6.8580 6.8580 6.8922 6.8922 7.7033 7.7033 7.9125 7.9125 8.9223 8.9223 8.9860 8.9860 9.3504 9.3504 9.9640 9.9640 13.4201 13.4201 13.5185 13.5185 13.8309 13.8309 14.9962 14.9962 k = 0.3476 0.3482-0.0000 ( 2740 PWs) bands (ev): -46.2855 -46.2855 -22.9836 -22.9836 -22.3436 -22.3436 -22.3094 -22.3094 -14.3056 -14.3056 -6.4261 -6.4261 -5.8532 -5.8532 -5.7684 -5.7684 -0.8646 -0.8646 0.9567 0.9567 1.1682 1.1682 6.3774 6.3774 6.8189 6.8189 6.8296 6.8296 7.6959 7.6959 7.8845 7.8845 8.9456 8.9456 8.9595 8.9595 9.3573 9.3573 9.9841 9.9841 13.4578 13.4578 13.5496 13.5496 13.8706 13.8706 15.0090 15.0090 k = 0.3565 0.3571-0.0000 ( 2744 PWs) bands (ev): -46.2854 -46.2854 -22.9842 -22.9842 -22.3448 -22.3448 -22.3096 -22.3096 -14.3019 -14.3019 -6.4118 -6.4118 -5.8520 -5.8520 -5.7693 -5.7693 -0.8663 -0.8663 0.9493 0.9493 1.1694 1.1694 6.3436 6.3436 6.7671 6.7671 6.7843 6.7843 7.6890 7.6890 7.8580 7.8580 8.9166 8.9166 8.9886 8.9886 9.3643 9.3643 10.0042 10.0042 13.4941 13.4941 13.5791 13.5791 13.9086 13.9086 15.0208 15.0208 k = 0.3654 0.3661-0.0000 ( 2738 PWs) bands (ev): -46.2854 -46.2854 -22.9848 -22.9848 -22.3457 -22.3457 -22.3099 -22.3099 -14.2983 -14.2983 -6.3969 -6.3969 -5.8507 -5.8507 -5.7709 -5.7709 -0.8682 -0.8682 0.9415 0.9415 1.1709 1.1709 6.3112 6.3112 6.7101 6.7101 6.7490 6.7490 7.6824 7.6824 7.8330 7.8330 8.8848 8.8848 9.0232 9.0232 9.3714 9.3714 10.0241 10.0241 13.5287 13.5287 13.6070 13.6070 13.9448 13.9448 15.0317 15.0317 k = 0.3743 0.3750-0.0000 ( 2740 PWs) bands (ev): -46.2854 -46.2854 -22.9854 -22.9854 -22.3467 -22.3467 -22.3101 -22.3101 -14.2950 -14.2950 -6.3817 -6.3817 -5.8496 -5.8496 -5.7733 -5.7733 -0.8703 -0.8703 0.9332 0.9332 1.1726 1.1726 6.2801 6.2801 6.6561 6.6561 6.7158 6.7158 7.6763 7.6763 7.8094 7.8094 8.8543 8.8543 9.0588 9.0588 9.3785 9.3785 10.0435 10.0435 13.5616 13.5616 13.6333 13.6333 13.9791 13.9791 15.0417 15.0417 k = 0.3832 0.3839-0.0000 ( 2740 PWs) bands (ev): -46.2853 -46.2853 -22.9859 -22.9859 -22.3476 -22.3476 -22.3104 -22.3104 -14.2919 -14.2919 -6.3663 -6.3663 -5.8485 -5.8485 -5.7763 -5.7763 -0.8726 -0.8726 0.9248 0.9248 1.1745 1.1745 6.2506 6.2506 6.6056 6.6056 6.6845 6.6845 7.6707 7.6707 7.7873 7.7873 8.8254 8.8254 9.0948 9.0948 9.3858 9.3858 10.0624 10.0624 13.5927 13.5927 13.6579 13.6579 14.0113 14.0113 15.0509 15.0509 k = 0.3921 0.3929-0.0000 ( 2744 PWs) bands (ev): -46.2853 -46.2853 -22.9865 -22.9865 -22.3485 -22.3485 -22.3106 -22.3106 -14.2889 -14.2889 -6.3507 -6.3507 -5.8476 -5.8476 -5.7801 -5.7801 -0.8749 -0.8749 0.9164 0.9164 1.1766 1.1766 6.2225 6.2225 6.5586 6.5586 6.6551 6.6551 7.6655 7.6655 7.7667 7.7667 8.7981 8.7981 9.1305 9.1305 9.3933 9.3933 10.0805 10.0805 13.6219 13.6219 13.6808 13.6808 14.0415 14.0415 15.0592 15.0592 k = 0.4011 0.4018-0.0000 ( 2750 PWs) bands (ev): -46.2853 -46.2853 -22.9870 -22.9870 -22.3493 -22.3493 -22.3108 -22.3108 -14.2863 -14.2863 -6.3351 -6.3351 -5.8467 -5.8467 -5.7844 -5.7844 -0.8773 -0.8773 0.9080 0.9080 1.1787 1.1787 6.1960 6.1960 6.5154 6.5154 6.6278 6.6278 7.6607 7.6607 7.7477 7.7477 8.7726 8.7726 9.1651 9.1651 9.4011 9.4011 10.0978 10.0978 13.6491 13.6491 13.7020 13.7020 14.0695 14.0695 15.0667 15.0667 k = 0.4100 0.4107-0.0000 ( 2754 PWs) bands (ev): -46.2852 -46.2852 -22.9874 -22.9874 -22.3501 -22.3501 -22.3110 -22.3110 -14.2838 -14.2838 -6.3197 -6.3197 -5.8459 -5.8459 -5.7893 -5.7893 -0.8796 -0.8796 0.9000 0.9000 1.1808 1.1808 6.1712 6.1712 6.4760 6.4760 6.6027 6.6027 7.6564 7.6564 7.7302 7.7302 8.7489 8.7489 9.1982 9.1982 9.4092 9.4092 10.1141 10.1141 13.6742 13.6742 13.7215 13.7215 14.0952 14.0952 15.0734 15.0734 k = 0.4189 0.4196-0.0000 ( 2748 PWs) bands (ev): -46.2852 -46.2852 -22.9878 -22.9878 -22.3507 -22.3507 -22.3112 -22.3112 -14.2815 -14.2815 -6.3047 -6.3047 -5.8453 -5.8453 -5.7944 -5.7944 -0.8819 -0.8819 0.8923 0.8923 1.1829 1.1829 6.1480 6.1480 6.4405 6.4405 6.5797 6.5797 7.6525 7.6525 7.7144 7.7144 8.7272 8.7272 9.2289 9.2289 9.4177 9.4177 10.1292 10.1292 13.6972 13.6972 13.7393 13.7393 14.1187 14.1187 15.0793 15.0793 k = 0.4278 0.4286-0.0000 ( 2744 PWs) bands (ev): -46.2852 -46.2852 -22.9882 -22.9882 -22.3513 -22.3513 -22.3113 -22.3113 -14.2795 -14.2795 -6.2902 -6.2902 -5.8449 -5.8449 -5.7998 -5.7998 -0.8842 -0.8842 0.8852 0.8852 1.1850 1.1850 6.1268 6.1268 6.4088 6.4088 6.5589 6.5589 7.6490 7.6490 7.7001 7.7001 8.7075 8.7075 9.2566 9.2566 9.4269 9.4269 10.1431 10.1431 13.7178 13.7178 13.7554 13.7554 14.1397 14.1397 15.0845 15.0845 k = 0.4367 0.4375-0.0000 ( 2750 PWs) bands (ev): -46.2852 -46.2852 -22.9885 -22.9885 -22.3519 -22.3519 -22.3115 -22.3115 -14.2777 -14.2777 -6.2764 -6.2764 -5.8446 -5.8446 -5.8052 -5.8052 -0.8862 -0.8862 0.8786 0.8786 1.1869 1.1869 6.1075 6.1075 6.3810 6.3810 6.5404 6.5404 7.6460 7.6460 7.6875 7.6875 8.6900 8.6900 9.2808 9.2808 9.4367 9.4367 10.1557 10.1557 13.7362 13.7362 13.7697 13.7697 14.1584 14.1584 15.0890 15.0890 k = 0.4456 0.4464-0.0000 ( 2748 PWs) bands (ev): -46.2851 -46.2851 -22.9888 -22.9888 -22.3524 -22.3524 -22.3116 -22.3116 -14.2762 -14.2762 -6.2637 -6.2637 -5.8446 -5.8446 -5.8104 -5.8104 -0.8881 -0.8881 0.8727 0.8727 1.1886 1.1886 6.0904 6.0904 6.3570 6.3570 6.5243 6.5243 7.6433 7.6433 7.6765 7.6765 8.6746 8.6746 9.3011 9.3011 9.4469 9.4469 10.1668 10.1668 13.7521 13.7521 13.7822 13.7822 14.1747 14.1747 15.0929 15.0929 k = 0.4545 0.4554-0.0000 ( 2748 PWs) bands (ev): -46.2851 -46.2851 -22.9890 -22.9890 -22.3528 -22.3528 -22.3117 -22.3117 -14.2749 -14.2749 -6.2522 -6.2522 -5.8448 -5.8448 -5.8152 -5.8152 -0.8898 -0.8898 0.8677 0.8677 1.1901 1.1901 6.0755 6.0755 6.3369 6.3369 6.5105 6.5105 7.6411 7.6411 7.6672 7.6672 8.6614 8.6614 9.3175 9.3175 9.4573 9.4573 10.1763 10.1763 13.7656 13.7656 13.7930 13.7930 14.1885 14.1885 15.0961 15.0961 k = 0.4634 0.4643-0.0000 ( 2738 PWs) bands (ev): -46.2851 -46.2851 -22.9892 -22.9892 -22.3530 -22.3530 -22.3117 -22.3117 -14.2738 -14.2738 -6.2423 -6.2423 -5.8453 -5.8453 -5.8192 -5.8192 -0.8912 -0.8912 0.8634 0.8634 1.1914 1.1914 6.0630 6.0630 6.3204 6.3204 6.4992 6.4992 7.6393 7.6393 7.6595 7.6595 8.6505 8.6505 9.3302 9.3302 9.4672 9.4672 10.1843 10.1843 13.7767 13.7767 13.8020 13.8020 14.1999 14.1999 15.0986 15.0986 k = 0.4724 0.4732-0.0000 ( 2736 PWs) bands (ev): -46.2851 -46.2851 -22.9893 -22.9893 -22.3533 -22.3533 -22.3118 -22.3118 -14.2729 -14.2729 -6.2341 -6.2341 -5.8461 -5.8461 -5.8223 -5.8223 -0.8923 -0.8923 0.8600 0.8600 1.1925 1.1925 6.0531 6.0531 6.3076 6.3076 6.4903 6.4903 7.6379 7.6379 7.6535 7.6535 8.6419 8.6419 9.3395 9.3395 9.4760 9.4760 10.1906 10.1906 13.7853 13.7853 13.8091 13.8091 14.2088 14.2088 15.1006 15.1006 k = 0.4813 0.4821-0.0000 ( 2736 PWs) bands (ev): -46.2851 -46.2851 -22.9894 -22.9894 -22.3535 -22.3535 -22.3118 -22.3118 -14.2723 -14.2723 -6.2280 -6.2280 -5.8469 -5.8469 -5.8244 -5.8244 -0.8931 -0.8931 0.8575 0.8575 1.1932 1.1932 6.0459 6.0459 6.2984 6.2984 6.4838 6.4838 7.6368 7.6368 7.6491 7.6491 8.6357 8.6357 9.3458 9.3458 9.4829 9.4829 10.1952 10.1952 13.7915 13.7915 13.8143 13.8143 14.2152 14.2152 15.1021 15.1021 k = 0.4902 0.4911-0.0000 ( 2740 PWs) bands (ev): -46.2851 -46.2851 -22.9895 -22.9895 -22.3536 -22.3536 -22.3119 -22.3119 -14.2719 -14.2719 -6.2241 -6.2241 -5.8476 -5.8476 -5.8257 -5.8257 -0.8937 -0.8937 0.8560 0.8560 1.1937 1.1937 6.0414 6.0414 6.2928 6.2928 6.4798 6.4798 7.6362 7.6362 7.6465 7.6465 8.6319 8.6319 9.3496 9.3496 9.4874 9.4874 10.1980 10.1980 13.7953 13.7953 13.8175 13.8175 14.2191 14.2191 15.1029 15.1029 k = 0.4991 0.5000-0.0000 ( 2744 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3537 -22.3537 -22.3119 -22.3119 -14.2718 -14.2718 -6.2227 -6.2227 -5.8479 -5.8479 -5.8262 -5.8262 -0.8939 -0.8939 0.8554 0.8554 1.1939 1.1939 6.0397 6.0397 6.2906 6.2906 6.4783 6.4783 7.6360 7.6360 7.6455 7.6455 8.6304 8.6304 9.3509 9.3509 9.4891 9.4891 10.1991 10.1991 13.7967 13.7967 13.8187 13.8187 14.2206 14.2206 15.1033 15.1033 k = 0.4991 0.5000-0.0000 ( 2744 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3537 -22.3537 -22.3119 -22.3119 -14.2718 -14.2718 -6.2227 -6.2227 -5.8479 -5.8479 -5.8262 -5.8262 -0.8939 -0.8939 0.8554 0.8554 1.1939 1.1939 6.0397 6.0397 6.2906 6.2906 6.4783 6.4783 7.6360 7.6360 7.6455 7.6455 8.6304 8.6304 9.3509 9.3509 9.4891 9.4891 10.1991 10.1991 13.7967 13.7967 13.8187 13.8187 14.2206 14.2206 15.1033 15.1033 k = 0.4866 0.5000-0.0000 ( 2740 PWs) bands (ev): -46.2851 -46.2851 -22.9895 -22.9895 -22.3536 -22.3536 -22.3119 -22.3119 -14.2719 -14.2719 -6.2241 -6.2240 -5.8477 -5.8472 -5.8260 -5.8257 -0.8939 -0.8934 0.8554 0.8565 1.1936 1.1939 6.0412 6.0414 6.2925 6.2927 6.4796 6.4798 7.6340 7.6351 7.6475 7.6486 8.6318 8.6318 9.3495 9.3497 9.4874 9.4876 10.1980 10.1982 13.7946 13.7962 13.8167 13.8184 14.2192 14.2193 15.1030 15.1030 k = 0.4741 0.5000-0.0000 ( 2734 PWs) bands (ev): -46.2851 -46.2851 -22.9894 -22.9894 -22.3535 -22.3535 -22.3118 -22.3118 -14.2723 -14.2723 -6.2279 -6.2277 -5.8468 -5.8459 -5.8254 -5.8248 -0.8937 -0.8927 0.8563 0.8585 1.1929 1.1936 6.0456 6.0458 6.2976 6.2981 6.4835 6.4838 7.6313 7.6327 7.6532 7.6546 8.6354 8.6354 9.3459 9.3462 9.4829 9.4835 10.1951 10.1955 13.7897 13.7926 13.8136 13.8165 14.2155 14.2155 15.1021 15.1021 k = 0.4617 0.5000-0.0000 ( 2735 PWs) bands (ev): -46.2851 -46.2851 -22.9893 -22.9893 -22.3533 -22.3533 -22.3118 -22.3118 -14.2729 -14.2729 -6.2340 -6.2337 -5.8452 -5.8440 -5.8242 -5.8234 -0.8931 -0.8917 0.8582 0.8614 1.1921 1.1930 6.0525 6.0528 6.3062 6.3068 6.4899 6.4905 7.6287 7.6301 7.6611 7.6625 8.6413 8.6413 9.3400 9.3405 9.4758 9.4766 10.1905 10.1911 13.7808 13.7844 13.8108 13.8143 14.2095 14.2095 15.1007 15.1007 k = 0.4492 0.5000-0.0000 ( 2742 PWs) bands (ev): -46.2851 -46.2851 -22.9892 -22.9892 -22.3531 -22.3531 -22.3117 -22.3117 -14.2737 -14.2737 -6.2423 -6.2419 -5.8430 -5.8415 -5.8225 -5.8215 -0.8922 -0.8904 0.8609 0.8652 1.1909 1.1922 6.0617 6.0621 6.3180 6.3189 6.4991 6.4999 7.6263 7.6276 7.6709 7.6722 8.6495 8.6495 9.3318 9.3325 9.4661 9.4671 10.1841 10.1849 13.7675 13.7708 13.8091 13.8125 14.2012 14.2012 15.0987 15.0988 k = 0.4367 0.5000-0.0000 ( 2747 PWs) bands (ev): -46.2851 -46.2851 -22.9891 -22.9890 -22.3528 -22.3528 -22.3117 -22.3116 -14.2748 -14.2747 -6.2527 -6.2521 -5.8403 -5.8385 -5.8203 -5.8192 -0.8911 -0.8887 0.8646 0.8699 1.1895 1.1911 6.0729 6.0734 6.3333 6.3342 6.5114 6.5124 7.6239 7.6252 7.6826 7.6839 8.6599 8.6599 9.3215 9.3223 9.4539 9.4552 10.1758 10.1768 13.7495 13.7525 13.8082 13.8112 14.1908 14.1909 15.0961 15.0961 k = 0.4242 0.5000-0.0000 ( 2749 PWs) bands (ev): -46.2851 -46.2851 -22.9888 -22.9888 -22.3525 -22.3524 -22.3116 -22.3115 -14.2760 -14.2760 -6.2649 -6.2643 -5.8372 -5.8354 -5.8175 -5.8164 -0.8896 -0.8868 0.8692 0.8755 1.1879 1.1897 6.0857 6.0862 6.3518 6.3528 6.5270 6.5282 7.6216 7.6228 7.6964 7.6975 8.6725 8.6725 9.3090 9.3100 9.4394 9.4409 10.1657 10.1668 13.7272 13.7297 13.8076 13.8101 14.1785 14.1786 15.0928 15.0928 k = 0.4118 0.5000-0.0000 ( 2746 PWs) bands (ev): -46.2852 -46.2852 -22.9886 -22.9885 -22.3520 -22.3520 -22.3114 -22.3114 -14.2775 -14.2774 -6.2788 -6.2781 -5.8339 -5.8322 -5.8141 -5.8131 -0.8878 -0.8847 0.8746 0.8819 1.1861 1.1882 6.0997 6.1001 6.3736 6.3747 6.5463 6.5477 7.6192 7.6203 7.7121 7.7131 8.6873 8.6873 9.2943 9.2955 9.4228 9.4245 10.1536 10.1549 13.7008 13.7030 13.8071 13.8093 14.1644 14.1645 15.0887 15.0888 k = 0.3993 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.2852 -46.2852 -22.9883 -22.9882 -22.3515 -22.3515 -22.3113 -22.3113 -14.2791 -14.2791 -6.2942 -6.2935 -5.8306 -5.8292 -5.8099 -5.8092 -0.8858 -0.8822 0.8809 0.8892 1.1841 1.1865 6.1142 6.1145 6.3986 6.3997 6.5695 6.5710 7.6168 7.6178 7.7297 7.7306 8.7041 8.7041 9.2776 9.2789 9.4043 9.4063 10.1395 10.1409 13.6705 13.6724 13.8066 13.8086 14.1487 14.1489 15.0839 15.0840 k = 0.3868 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.2852 -46.2852 -22.9879 -22.9879 -22.3510 -22.3509 -22.3111 -22.3111 -14.2809 -14.2809 -6.3110 -6.3103 -5.8277 -5.8265 -5.8050 -5.8046 -0.8835 -0.8795 0.8881 0.8973 1.1819 1.1847 6.1288 6.1290 6.4267 6.4278 6.5968 6.5986 7.6143 7.6152 7.7492 7.7500 8.7230 8.7230 9.2588 9.2603 9.3843 9.3865 10.1233 10.1248 13.6365 13.6383 13.8062 13.8080 14.1317 14.1319 15.0781 15.0782 k = 0.3743 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.2852 -46.2852 -22.9876 -22.9876 -22.3504 -22.3504 -22.3110 -22.3109 -14.2830 -14.2829 -6.3290 -6.3283 -5.8251 -5.8243 -5.7992 -5.7992 -0.8809 -0.8766 0.8960 0.9061 1.1797 1.1827 6.1433 6.1433 6.4578 6.4590 6.6285 6.6304 7.6117 7.6125 7.7704 7.7712 8.7439 8.7439 9.2378 9.2395 9.3632 9.3655 10.1050 10.1065 13.5991 13.6007 13.8058 13.8074 14.1136 14.1138 15.0713 15.0714 k = 0.3618 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.2853 -46.2853 -22.9872 -22.9871 -22.3498 -22.3497 -22.3107 -22.3107 -14.2851 -14.2851 -6.3480 -6.3473 -5.8231 -5.8226 -5.7930 -5.7927 -0.8781 -0.8735 0.9047 0.9156 1.1774 1.1807 6.1569 6.1571 6.4919 6.4931 6.6647 6.6665 7.6090 7.6098 7.7934 7.7942 8.7667 8.7667 9.2148 9.2166 9.3413 9.3437 10.0844 10.0859 13.5585 13.5599 13.8054 13.8068 14.0946 14.0948 15.0634 15.0635 k = 0.3494 0.5000-0.0000 ( 2751 PWs) bands (ev): -46.2853 -46.2853 -22.9867 -22.9867 -22.3491 -22.3490 -22.3105 -22.3105 -14.2874 -14.2874 -6.3678 -6.3672 -5.8216 -5.8213 -5.7861 -5.7856 -0.8751 -0.8701 0.9142 0.9258 1.1751 1.1786 6.1699 6.1702 6.5287 6.5301 6.7050 6.7067 7.6063 7.6070 7.8180 7.8187 8.7913 8.7913 9.1896 9.1915 9.3191 9.3217 10.0615 10.0630 13.5148 13.5161 13.8049 13.8062 14.0749 14.0751 15.0543 15.0544 k = 0.3369 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.2853 -46.2853 -22.9863 -22.9863 -22.3485 -22.3484 -22.3102 -22.3102 -14.2899 -14.2899 -6.3884 -6.3877 -5.8205 -5.8205 -5.7786 -5.7779 -0.8719 -0.8666 0.9243 0.9367 1.1729 1.1766 6.1819 6.1825 6.5682 6.5699 6.7493 6.7509 7.6035 7.6042 7.8441 7.8447 8.8176 8.8176 9.1623 9.1643 9.2972 9.2998 10.0362 10.0377 13.4683 13.4695 13.8045 13.8056 14.0548 14.0551 15.0438 15.0440 k = 0.3244 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.2854 -46.2854 -22.9858 -22.9858 -22.3477 -22.3477 -22.3099 -22.3099 -14.2924 -14.2924 -6.4095 -6.4089 -5.8201 -5.8200 -5.7706 -5.7698 -0.8685 -0.8630 0.9350 0.9480 1.1707 1.1746 6.1931 6.1938 6.6104 6.6125 6.7972 6.7985 7.6007 7.6013 7.8715 7.8721 8.8456 8.8456 9.1329 9.1348 9.2761 9.2787 10.0084 10.0098 13.4192 13.4203 13.8040 13.8050 14.0346 14.0349 15.0318 15.0320 k = 0.3119 0.5000-0.0000 ( 2758 PWs) bands (ev): -46.2854 -46.2854 -22.9854 -22.9853 -22.3470 -22.3469 -22.3096 -22.3096 -14.2951 -14.2951 -6.4310 -6.4304 -5.8201 -5.8199 -5.7622 -5.7614 -0.8650 -0.8592 0.9463 0.9598 1.1687 1.1728 6.2034 6.2043 6.6553 6.6577 6.8481 6.8491 7.5979 7.5984 7.9001 7.9007 8.8752 8.8752 9.1015 9.1034 9.2562 9.2587 9.9780 9.9794 13.3678 13.3688 13.8035 13.8044 14.0144 14.0148 15.0181 15.0183 k = 0.2995 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.2854 -46.2854 -22.9849 -22.9848 -22.3463 -22.3462 -22.3092 -22.3092 -14.2978 -14.2978 -6.4529 -6.4523 -5.8204 -5.8202 -5.7535 -5.7526 -0.8613 -0.8553 0.9580 0.9720 1.1668 1.1711 6.2130 6.2140 6.7026 6.7056 6.9014 6.9020 7.5950 7.5955 7.9298 7.9303 8.9061 8.9062 9.0682 9.0700 9.2381 9.2404 9.9451 9.9464 13.3144 13.3153 13.8030 13.8038 13.9946 13.9950 15.0027 15.0029 k = 0.2870 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.2855 -46.2855 -22.9844 -22.9843 -22.3456 -22.3455 -22.3088 -22.3088 -14.3007 -14.3006 -6.4748 -6.4743 -5.8212 -5.8209 -5.7445 -5.7436 -0.8575 -0.8514 0.9701 0.9845 1.1653 1.1696 6.2218 6.2230 6.7524 6.7559 6.9564 6.9565 7.5922 7.5927 7.9604 7.9608 8.9384 8.9385 9.0333 9.0351 9.2220 9.2242 9.9095 9.9107 13.2591 13.2599 13.8024 13.8032 13.9752 13.9757 14.9852 14.9855 k = 0.2745 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.2855 -46.2855 -22.9838 -22.9838 -22.3448 -22.3448 -22.3084 -22.3083 -14.3035 -14.3035 -6.4969 -6.4964 -5.8222 -5.8220 -5.7353 -5.7345 -0.8536 -0.8474 0.9824 0.9970 1.1641 1.1685 6.2301 6.2314 6.8046 6.8088 7.0119 7.0124 7.5895 7.5898 7.9917 7.9920 8.9711 8.9718 8.9972 8.9994 9.2085 9.2106 9.8712 9.8723 13.2022 13.2030 13.8019 13.8026 13.9565 13.9570 14.9656 14.9659 k = 0.2620 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.2855 -46.2855 -22.9833 -22.9833 -22.3441 -22.3441 -22.3079 -22.3079 -14.3064 -14.3064 -6.5188 -6.5183 -5.8236 -5.8233 -5.7260 -5.7252 -0.8496 -0.8433 0.9949 1.0096 1.1634 1.1677 6.2378 6.2393 6.8591 6.8640 7.0676 7.0686 7.5867 7.5871 8.0235 8.0238 8.9594 8.9601 9.0068 9.0075 9.1980 9.2000 9.8302 9.8312 13.1441 13.1448 13.8013 13.8019 13.9387 13.9392 14.9437 14.9440 k = 0.2495 0.5000-0.0000 ( 2763 PWs) bands (ev): -46.2856 -46.2856 -22.9828 -22.9827 -22.3435 -22.3434 -22.3074 -22.3074 -14.3093 -14.3093 -6.5405 -6.5401 -5.8252 -5.8250 -5.7166 -5.7158 -0.8456 -0.8393 1.0073 1.0220 1.1632 1.1673 6.2452 6.2467 6.9158 6.9214 7.1226 7.1244 7.5841 7.5843 8.0556 8.0560 8.9213 8.9221 9.0422 9.0427 9.1909 9.1927 9.7865 9.7874 13.0850 13.0857 13.8007 13.8013 13.9218 13.9224 14.9194 14.9197 k = 0.2371 0.5000-0.0000 ( 2765 PWs) bands (ev): -46.2856 -46.2856 -22.9823 -22.9822 -22.3428 -22.3427 -22.3069 -22.3069 -14.3122 -14.3122 -6.5619 -6.5615 -5.8271 -5.8268 -5.7073 -5.7065 -0.8416 -0.8353 1.0196 1.0339 1.1638 1.1675 6.2522 6.2538 6.9745 6.9811 7.1763 7.1790 7.5815 7.5817 8.0880 8.0883 8.8826 8.8834 9.0783 9.0788 9.1876 9.1894 9.7401 9.7409 13.0253 13.0259 13.8001 13.8006 13.9060 13.9067 14.8924 14.8928 k = 0.2246 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.2856 -46.2856 -22.9818 -22.9817 -22.3422 -22.3421 -22.3064 -22.3063 -14.3151 -14.3151 -6.5829 -6.5825 -5.8292 -5.8289 -5.6980 -5.6973 -0.8376 -0.8314 1.0315 1.0453 1.1651 1.1684 6.2589 6.2606 7.0351 7.0427 7.2280 7.2318 7.5790 7.5792 8.1203 8.1206 8.8438 8.8445 9.1148 9.1154 9.1887 9.1905 9.6910 9.6916 12.9652 12.9657 13.7995 13.7999 13.8914 13.8921 14.8628 14.8632 k = 0.2121 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.2857 -46.2857 -22.9812 -22.9812 -22.3415 -22.3415 -22.3058 -22.3057 -14.3179 -14.3179 -6.6034 -6.6030 -5.8314 -5.8311 -5.6888 -5.6881 -0.8337 -0.8275 1.0428 1.0558 1.1675 1.1700 6.2653 6.2671 7.0972 7.1062 7.2771 7.2822 7.5766 7.5767 8.1524 8.1526 8.8051 8.8057 9.1508 9.1517 9.1949 9.1969 9.6393 9.6398 12.9050 12.9055 13.7988 13.7992 13.8780 13.8788 14.8305 14.8309 k = 0.1996 0.5000-0.0000 ( 2757 PWs) bands (ev): -46.2857 -46.2857 -22.9807 -22.9807 -22.3410 -22.3409 -22.3052 -22.3052 -14.3207 -14.3207 -6.6232 -6.6229 -5.8338 -5.8335 -5.6798 -5.6792 -0.8298 -0.8237 1.0533 1.0653 1.1709 1.1726 6.2716 6.2734 7.1606 7.1714 7.3229 7.3298 7.5743 7.5744 8.1841 8.1842 8.7668 8.7673 9.1841 9.1854 9.2086 9.2110 9.5849 9.5854 12.8451 12.8456 13.7981 13.7984 13.8659 13.8668 14.7955 14.7959 k = 0.1872 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.2858 -46.2858 -22.9803 -22.9802 -22.3405 -22.3404 -22.3046 -22.3046 -14.3234 -14.3234 -6.6423 -6.6421 -5.8362 -5.8360 -5.6711 -5.6705 -0.8260 -0.8201 1.0629 1.0735 1.1756 1.1761 6.2776 6.2795 7.2246 7.2378 7.3654 7.3747 7.5721 7.5721 8.2151 8.2152 8.7293 8.7296 9.2094 9.2101 9.2360 9.2377 9.5281 9.5285 12.7858 12.7863 13.7973 13.7975 13.8552 13.8562 14.7579 14.7584 k = 0.1747 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.2858 -46.2858 -22.9798 -22.9798 -22.3400 -22.3399 -22.3040 -22.3040 -14.3260 -14.3260 -6.6607 -6.6604 -5.8387 -5.8385 -5.6626 -5.6621 -0.8223 -0.8166 1.0714 1.0804 1.1807 1.1814 6.2834 6.2853 7.2879 7.3048 7.4047 7.4176 7.5700 7.5701 8.2452 8.2453 8.6927 8.6930 9.2313 9.2315 9.2712 9.2723 9.4689 9.4693 12.7275 12.7279 13.7965 13.7966 13.8458 13.8468 14.7179 14.7184 k = 0.1622 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.2858 -46.2858 -22.9794 -22.9793 -22.3395 -22.3395 -22.3034 -22.3034 -14.3285 -14.3285 -6.6781 -6.6779 -5.8412 -5.8410 -5.6545 -5.6540 -0.8187 -0.8133 1.0786 1.0861 1.1863 1.1882 6.2891 6.2910 7.3483 7.3701 7.4427 7.4605 7.5680 7.5682 8.2743 8.2744 8.6574 8.6576 9.2553 9.2555 9.3075 9.3084 9.4076 9.4081 12.6706 12.6710 13.7955 13.7955 13.8376 13.8388 14.6758 14.6764 k = 0.1497 0.5000-0.0000 ( 2766 PWs) bands (ev): -46.2859 -46.2859 -22.9790 -22.9789 -22.3391 -22.3391 -22.3028 -22.3028 -14.3309 -14.3309 -6.6946 -6.6944 -5.8437 -5.8434 -5.6467 -5.6463 -0.8153 -0.8101 1.0846 1.0906 1.1928 1.1957 6.2945 6.2964 7.4015 7.4267 7.4861 7.5075 7.5662 7.5665 8.3022 8.3022 8.6236 8.6238 9.2818 9.2826 9.3379 9.3411 9.3479 9.3512 12.6154 12.6158 13.7944 13.7944 13.8308 13.8320 14.6322 14.6328 k = 0.1373 0.5000-0.0000 ( 2764 PWs) bands (ev): -46.2859 -46.2859 -22.9785 -22.9785 -22.3387 -22.3387 -22.3022 -22.3022 -14.3331 -14.3331 -6.7100 -6.7098 -5.8461 -5.8459 -5.6395 -5.6391 -0.8121 -0.8072 1.0895 1.0941 1.1999 1.2038 6.2998 6.3016 7.4432 7.4652 7.5444 7.5606 7.5647 7.5671 8.3285 8.3285 8.5916 8.5918 9.2741 9.2762 9.3155 9.3168 9.3801 9.3802 12.5624 12.5627 13.7931 13.7932 13.8252 13.8265 14.5874 14.5881 k = 0.1248 0.5000-0.0000 ( 2764 PWs) bands (ev): -46.2859 -46.2859 -22.9782 -22.9781 -22.3384 -22.3383 -22.3017 -22.3017 -14.3352 -14.3352 -6.7243 -6.7242 -5.8484 -5.8482 -5.6326 -5.6323 -0.8090 -0.8045 1.0934 1.0969 1.2076 1.2120 6.3048 6.3066 7.4735 7.4900 7.5627 7.5631 7.6138 7.6269 8.3531 8.3531 8.5617 8.5618 9.2086 9.2097 9.3473 9.3478 9.4142 9.4144 12.5120 12.5123 13.7918 13.7919 13.8207 13.8220 14.5423 14.5430 k = 0.1123 0.5000-0.0000 ( 2766 PWs) bands (ev): -46.2859 -46.2859 -22.9778 -22.9778 -22.3381 -22.3380 -22.3012 -22.3012 -14.3372 -14.3371 -6.7375 -6.7373 -5.8505 -5.8504 -5.6263 -5.6260 -0.8062 -0.8020 1.0965 1.0991 1.2153 1.2201 6.3095 6.3112 7.4954 7.5079 7.5614 7.5619 7.6868 7.6960 8.3758 8.3758 8.5340 8.5342 9.1399 9.1408 9.3813 9.3816 9.4469 9.4471 12.4645 12.4648 13.7904 13.7905 13.8172 13.8186 14.4976 14.4983 k = 0.0998 0.5000-0.0000 ( 2769 PWs) bands (ev): -46.2860 -46.2860 -22.9775 -22.9775 -22.3378 -22.3378 -22.3007 -22.3007 -14.3389 -14.3389 -6.7494 -6.7493 -5.8526 -5.8524 -5.6206 -5.6203 -0.8036 -0.7998 1.0990 1.1008 1.2230 1.2278 6.3139 6.3155 7.5114 7.5212 7.5603 7.5609 7.7617 7.7682 8.3962 8.3962 8.5090 8.5092 9.0695 9.0705 9.4157 9.4160 9.4777 9.4779 12.4205 12.4207 13.7891 13.7892 13.8146 13.8159 14.4541 14.4548 k = 0.0873 0.5000-0.0000 ( 2769 PWs) bands (ev): -46.2860 -46.2860 -22.9773 -22.9772 -22.3376 -22.3375 -22.3003 -22.3003 -14.3405 -14.3405 -6.7600 -6.7599 -5.8544 -5.8543 -5.6155 -5.6152 -0.8012 -0.7979 1.1009 1.1022 1.2303 1.2350 6.3179 6.3194 7.5231 7.5311 7.5593 7.5601 7.8374 7.8422 8.4139 8.4139 8.4870 8.4873 8.9982 8.9991 9.4493 9.4495 9.5063 9.5065 12.3803 12.3805 13.7878 13.7879 13.8127 13.8139 14.4127 14.4134 k = 0.0749 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.2860 -46.2860 -22.9770 -22.9769 -22.3373 -22.3373 -22.2998 -22.2998 -14.3419 -14.3419 -6.7694 -6.7693 -5.8561 -5.8560 -5.6109 -5.6107 -0.7991 -0.7962 1.1025 1.1033 1.2372 1.2415 6.3215 6.3228 7.5316 7.5381 7.5586 7.5595 7.9133 7.9169 8.4276 8.4276 8.4695 8.4699 8.9262 8.9272 9.4809 9.4811 9.5324 9.5325 12.3444 12.3446 13.7867 13.7867 13.8113 13.8124 14.3744 14.3752 k = 0.0624 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.2860 -46.2860 -22.9768 -22.9767 -22.3372 -22.3371 -22.2995 -22.2995 -14.3431 -14.3431 -6.7773 -6.7772 -5.8575 -5.8574 -5.6071 -5.6069 -0.7973 -0.7948 1.1036 1.1042 1.2432 1.2471 6.3247 6.3258 7.5375 7.5428 7.5583 7.5592 7.9889 7.9915 8.4323 8.4326 8.4610 8.4617 8.8544 8.8553 9.5094 9.5096 9.5556 9.5557 12.3132 12.3134 13.7857 13.7857 13.8102 13.8112 14.3402 14.3409 k = 0.0499 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.2860 -46.2860 -22.9766 -22.9766 -22.3370 -22.3370 -22.2992 -22.2992 -14.3441 -14.3441 -6.7839 -6.7838 -5.8587 -5.8586 -5.6038 -5.6037 -0.7957 -0.7938 1.1045 1.1049 1.2485 1.2517 6.3274 6.3283 7.5416 7.5457 7.5583 7.5591 8.0630 8.0649 8.4258 8.4259 8.4643 8.4650 8.7838 8.7847 9.5337 9.5339 9.5756 9.5757 12.2871 12.2873 13.7850 13.7850 13.8096 13.8104 14.3108 14.3114 k = 0.0374 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.2860 -46.2860 -22.9764 -22.9764 -22.3369 -22.3369 -22.2989 -22.2989 -14.3448 -14.3448 -6.7890 -6.7889 -5.8596 -5.8596 -5.6013 -5.6012 -0.7944 -0.7929 1.1052 1.1054 1.2528 1.2553 6.3296 6.3303 7.5442 7.5472 7.5585 7.5591 8.1339 8.1353 8.4170 8.4170 8.4698 8.4704 8.7164 8.7173 9.5532 9.5534 9.5919 9.5921 12.2664 12.2665 13.7844 13.7844 13.8091 13.8097 14.2871 14.2876 k = 0.0250 0.5000-0.0000 ( 2759 PWs) bands (ev): -46.2860 -46.2860 -22.9763 -22.9763 -22.3368 -22.3368 -22.2988 -22.2988 -14.3454 -14.3454 -6.7926 -6.7926 -5.8603 -5.8603 -5.5995 -5.5995 -0.7934 -0.7924 1.1056 1.1057 1.2560 1.2577 6.3312 6.3317 7.5459 7.5478 7.5588 7.5592 8.1983 8.1993 8.4100 8.4101 8.4725 8.4732 8.6564 8.6572 9.5674 9.5675 9.6042 9.6043 12.2515 12.2515 13.7840 13.7840 13.8088 13.8093 14.2697 14.2701 k = 0.0125 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9763 -22.9763 -22.3368 -22.3368 -22.2987 -22.2987 -14.3457 -14.3457 -6.7949 -6.7948 -5.8607 -5.8607 -5.5984 -5.5984 -0.7927 -0.7922 1.1059 1.1060 1.2582 1.2591 6.3322 6.3325 7.5469 7.5479 7.5591 7.5593 8.2481 8.2487 8.4061 8.4062 8.4711 8.4716 8.6122 8.6127 9.5759 9.5759 9.6118 9.6119 12.2424 12.2424 13.7837 13.7838 13.8088 13.8090 14.2591 14.2593 k = 0.0000 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9763 -22.9763 -22.3368 -22.3368 -22.2987 -22.2987 -14.3458 -14.3458 -6.7956 -6.7956 -5.8609 -5.8609 -5.5980 -5.5980 -0.7923 -0.7923 1.1060 1.1060 1.2592 1.2592 6.3327 6.3327 7.5476 7.5476 7.5592 7.5592 8.2686 8.2686 8.4051 8.4051 8.4691 8.4691 8.5956 8.5956 9.5787 9.5787 9.6144 9.6144 12.2393 12.2393 13.7837 13.7837 13.8088 13.8088 14.2556 14.2556 k = 0.0000 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9763 -22.9763 -22.3368 -22.3368 -22.2987 -22.2987 -14.3458 -14.3458 -6.7956 -6.7956 -5.8609 -5.8609 -5.5980 -5.5980 -0.7923 -0.7923 1.1060 1.1060 1.2592 1.2592 6.3327 6.3327 7.5476 7.5476 7.5592 7.5592 8.2686 8.2686 8.4051 8.4051 8.4691 8.4691 8.5956 8.5956 9.5787 9.5787 9.6144 9.6144 12.2393 12.2393 13.7837 13.7837 13.8088 13.8088 14.2556 14.2556 k = 0.0000 0.5000 0.0126 ( 2758 PWs) bands (ev): -46.2860 -46.2860 -22.9763 -22.9763 -22.3368 -22.3368 -22.2987 -22.2987 -14.3457 -14.3457 -6.7949 -6.7948 -5.8608 -5.8607 -5.5984 -5.5984 -0.7931 -0.7920 1.1049 1.1069 1.2583 1.2589 6.3322 6.3325 7.5405 7.5513 7.5552 7.5661 8.2484 8.2726 8.3523 8.3844 8.4956 8.5204 8.5855 8.6177 9.5695 9.5825 9.6049 9.6182 12.2423 12.2426 13.7835 13.7840 13.8086 13.8092 14.2591 14.2592 k = 0.0000 0.5000 0.0251 ( 2756 PWs) bands (ev): -46.2860 -46.2860 -22.9763 -22.9763 -22.3368 -22.3368 -22.2988 -22.2988 -14.3454 -14.3454 -6.7926 -6.7924 -5.8603 -5.8601 -5.5996 -5.5994 -0.7941 -0.7919 1.1037 1.1077 1.2561 1.2574 6.3311 6.3317 7.5331 7.5443 7.5613 7.5728 8.2059 8.2457 8.3056 8.3592 8.5280 8.5644 8.6096 8.6589 9.5548 9.5809 9.5898 9.6164 12.2514 12.2521 13.7834 13.7846 13.8086 13.8097 14.2696 14.2698 k = 0.0000 0.5000 0.0377 ( 2754 PWs) bands (ev): -46.2860 -46.2860 -22.9764 -22.9764 -22.3368 -22.3368 -22.2990 -22.2990 -14.3448 -14.3448 -6.7889 -6.7886 -5.8596 -5.8593 -5.6014 -5.6011 -0.7955 -0.7922 1.1023 1.1082 1.2527 1.2546 6.3295 6.3304 7.5254 7.5367 7.5674 7.5790 8.1446 8.1763 8.2973 8.3487 8.5466 8.5629 8.6836 8.7184 9.5348 9.5681 9.5753 9.6092 12.2665 12.2675 13.7836 13.7853 13.8087 13.8105 14.2868 14.2870 k = 0.0000 0.5000 0.0502 ( 2756 PWs) bands (ev): -46.2860 -46.2860 -22.9766 -22.9765 -22.3369 -22.3369 -22.2993 -22.2993 -14.3440 -14.3440 -6.7836 -6.7833 -5.8586 -5.8582 -5.6039 -5.6036 -0.7972 -0.7928 1.1007 1.1085 1.2482 1.2507 6.3273 6.3284 7.5173 7.5286 7.5729 7.5846 8.0741 8.0982 8.2962 8.3459 8.5575 8.5588 8.7617 8.7871 9.5099 9.5424 9.5639 9.5973 12.2874 12.2888 13.7839 13.7861 13.8092 13.8115 14.3102 14.3105 k = 0.0000 0.5000 0.0628 ( 2770 PWs) bands (ev): -46.2860 -46.2860 -22.9768 -22.9768 -22.3371 -22.3370 -22.2998 -22.2998 -14.3430 -14.3430 -6.7769 -6.7765 -5.8574 -5.8568 -5.6071 -5.6067 -0.7992 -0.7938 1.0989 1.1086 1.2426 1.2456 6.3246 6.3259 7.5086 7.5200 7.5777 7.5895 7.9998 8.0190 8.2952 8.3457 8.5561 8.5662 8.8399 8.8594 9.4805 9.5118 9.5485 9.5809 12.3139 12.3156 13.7843 13.7872 13.8098 13.8127 14.3391 14.3394 k = 0.0000 0.5000 0.0753 ( 2770 PWs) bands (ev): -46.2860 -46.2860 -22.9770 -22.9770 -22.3372 -22.3371 -22.3002 -22.3002 -14.3417 -14.3417 -6.7687 -6.7682 -5.8558 -5.8552 -5.6110 -5.6105 -0.8015 -0.7951 1.0969 1.1084 1.2360 1.2396 6.3213 6.3229 7.4991 7.5105 7.5814 7.5934 7.9241 7.9402 8.2930 8.3449 8.5563 8.5750 8.9173 8.9330 9.4474 9.4776 9.5294 9.5608 12.3456 12.3475 13.7850 13.7884 13.8109 13.8143 14.3727 14.3730 k = 0.0000 0.5000 0.0879 ( 2764 PWs) bands (ev): -46.2860 -46.2860 -22.9773 -22.9772 -22.3373 -22.3372 -22.3007 -22.3007 -14.3403 -14.3403 -6.7592 -6.7585 -5.8540 -5.8533 -5.6155 -5.6149 -0.8040 -0.7967 1.0947 1.1079 1.2286 1.2327 6.3177 6.3194 7.4882 7.4999 7.5838 7.5960 7.8482 7.8626 8.2886 8.3417 8.5606 8.5854 8.9936 9.0065 9.4113 9.4405 9.5071 9.5374 12.3821 12.3842 13.7859 13.7897 13.8125 13.8164 14.4102 14.4105 k = 0.0000 0.5000 0.1004 ( 2766 PWs) bands (ev): -46.2859 -46.2859 -22.9776 -22.9775 -22.3374 -22.3374 -22.3013 -22.3012 -14.3386 -14.3386 -6.7482 -6.7475 -5.8520 -5.8512 -5.6206 -5.6200 -0.8069 -0.7986 1.0922 1.1070 1.2205 1.2250 6.3136 6.3155 7.4752 7.4875 7.5845 7.5970 7.7730 7.7873 8.2815 8.3346 8.5699 8.5986 9.0684 9.0793 9.3734 9.4016 9.4820 9.5114 12.4229 12.4253 13.7869 13.7911 13.8146 13.8189 14.4506 14.4509 k = 0.0000 0.5000 0.1130 ( 2760 PWs) bands (ev): -46.2859 -46.2859 -22.9779 -22.9778 -22.3376 -22.3375 -22.3019 -22.3019 -14.3368 -14.3368 -6.7360 -6.7352 -5.8497 -5.8488 -5.6264 -5.6256 -0.8099 -0.8009 1.0894 1.1056 1.2120 1.2168 6.3091 6.3112 7.4592 7.4725 7.5825 7.5956 7.7000 7.7162 8.2713 8.3232 8.5843 8.6149 9.1414 9.1509 9.3345 9.3619 9.4547 9.4834 12.4678 12.4703 13.7881 13.7925 13.8176 13.8221 14.4929 14.4932 k = 0.0000 0.5000 0.1255 ( 2766 PWs) bands (ev): -46.2859 -46.2859 -22.9782 -22.9782 -22.3378 -22.3377 -22.3027 -22.3026 -14.3348 -14.3348 -6.7224 -6.7215 -5.8473 -5.8463 -5.6326 -5.6318 -0.8133 -0.8034 1.0861 1.1034 1.2033 1.2082 6.3044 6.3065 7.4384 7.4539 7.5741 7.5863 7.6354 7.6543 8.2579 8.3075 8.6038 8.6346 9.2115 9.2208 9.2962 9.3232 9.4259 9.4539 12.5161 12.5188 13.7893 13.7938 13.8215 13.8261 14.5363 14.5366 k = 0.0000 0.5000 0.1381 ( 2766 PWs) bands (ev): -46.2859 -46.2859 -22.9786 -22.9786 -22.3380 -22.3380 -22.3034 -22.3033 -14.3326 -14.3326 -6.7077 -6.7067 -5.8448 -5.8437 -5.6394 -5.6386 -0.8168 -0.8062 1.0822 1.1003 1.1948 1.1995 6.2993 6.3015 7.4106 7.4294 7.5439 7.5469 7.6059 7.6166 8.2412 8.2881 8.6276 8.6576 9.2504 9.2720 9.2882 9.3019 9.3962 9.4238 12.5675 12.5703 13.7907 13.7950 13.8265 13.8310 14.5800 14.5802 k = 0.0000 0.5000 0.1506 ( 2762 PWs) bands (ev): -46.2858 -46.2858 -22.9790 -22.9790 -22.3383 -22.3382 -22.3042 -22.3040 -14.3302 -14.3302 -6.6918 -6.6908 -5.8421 -5.8409 -5.6467 -5.6458 -0.8205 -0.8093 1.0777 1.0960 1.1869 1.1910 6.2940 6.2962 7.3731 7.3952 7.4868 7.5010 7.5977 7.6042 8.2217 8.2655 8.6551 8.6838 9.2176 9.2423 9.3531 9.3576 9.3668 9.3947 12.6215 12.6244 13.7920 13.7961 13.8327 13.8370 14.6231 14.6233 k = 0.0000 0.5000 0.1632 ( 2758 PWs) bands (ev): -46.2858 -46.2858 -22.9794 -22.9794 -22.3385 -22.3384 -22.3049 -22.3048 -14.3277 -14.3277 -6.6749 -6.6737 -5.8393 -5.8380 -5.6544 -5.6534 -0.8244 -0.8127 1.0722 1.0903 1.1798 1.1828 6.2885 6.2907 7.3250 7.3472 7.4373 7.4547 7.5931 7.5990 8.1996 8.2403 8.6856 8.7127 9.1830 9.2076 9.3367 9.3618 9.4189 9.4245 12.6777 12.6808 13.7933 13.7971 13.8401 13.8442 14.6650 14.6651 k = 0.0000 0.5000 0.1757 ( 2756 PWs) bands (ev): -46.2858 -46.2858 -22.9799 -22.9798 -22.3388 -22.3387 -22.3058 -22.3056 -14.3251 -14.3251 -6.6569 -6.6557 -5.8365 -5.8351 -5.6624 -5.6614 -0.8285 -0.8162 1.0657 1.0830 1.1739 1.1754 6.2828 6.2850 7.2687 7.2881 7.3953 7.4111 7.5899 7.5952 8.1753 8.2130 8.7186 8.7441 9.1501 9.1742 9.3090 9.3340 9.4819 9.4862 12.7357 12.7388 13.7946 13.7980 13.8489 13.8526 14.7052 14.7053 k = 0.0000 0.5000 0.1883 ( 2756 PWs) bands (ev): -46.2857 -46.2857 -22.9804 -22.9803 -22.3392 -22.3391 -22.3066 -22.3065 -14.3224 -14.3224 -6.6381 -6.6368 -5.8337 -5.8322 -5.6708 -5.6698 -0.8326 -0.8200 1.0581 1.0741 1.1690 1.1694 6.2769 6.2790 7.2080 7.2242 7.3548 7.3678 7.5874 7.5920 8.1491 8.1840 8.7534 8.7774 9.1190 9.1424 9.2839 9.3080 9.5426 9.5462 12.7952 12.7983 13.7958 13.7989 13.8589 13.8623 14.7432 14.7433 k = 0.0000 0.5000 0.2008 ( 2754 PWs) bands (ev): -46.2857 -46.2857 -22.9809 -22.9808 -22.3395 -22.3395 -22.3074 -22.3073 -14.3196 -14.3196 -6.6184 -6.6170 -5.8309 -5.8294 -5.6795 -5.6785 -0.8369 -0.8240 1.0493 1.0637 1.1636 1.1661 6.2707 6.2728 7.1456 7.1591 7.3123 7.3228 7.5854 7.5894 8.1214 8.1536 8.7897 8.8123 9.0893 9.1114 9.2626 9.2853 9.6008 9.6038 12.8556 12.8588 13.7969 13.7997 13.8703 13.8734 14.7788 14.7790 k = 0.0000 0.5000 0.2134 ( 2758 PWs) bands (ev): -46.2857 -46.2857 -22.9814 -22.9813 -22.3400 -22.3399 -22.3082 -22.3081 -14.3167 -14.3167 -6.5980 -6.5966 -5.8282 -5.8266 -5.6885 -5.6874 -0.8413 -0.8281 1.0393 1.0521 1.1594 1.1640 6.2644 6.2664 7.0832 7.0945 7.2666 7.2750 7.5839 7.5872 8.0924 8.1223 8.8270 8.8484 9.0605 9.0809 9.2461 9.2668 9.6564 9.6589 12.9167 12.9199 13.7980 13.8005 13.8830 13.8858 14.8119 14.8121 k = 0.0000 0.5000 0.2260 ( 2762 PWs) bands (ev): -46.2856 -46.2856 -22.9819 -22.9818 -22.3405 -22.3404 -22.3091 -22.3089 -14.3138 -14.3138 -6.5770 -6.5755 -5.8255 -5.8239 -5.6976 -5.6964 -0.8457 -0.8324 1.0284 1.0395 1.1563 1.1629 6.2578 6.2597 7.0217 7.0312 7.2178 7.2244 7.5829 7.5856 8.0627 8.0902 8.8647 8.8853 9.0318 9.0504 9.2350 9.2533 9.7093 9.7114 12.9780 12.9813 13.7991 13.8013 13.8971 13.8996 14.8422 14.8426 k = 0.0000 0.5000 0.2385 ( 2760 PWs) bands (ev): -46.2856 -46.2856 -22.9825 -22.9824 -22.3409 -22.3408 -22.3098 -22.3097 -14.3108 -14.3108 -6.5554 -6.5539 -5.8231 -5.8213 -5.7068 -5.7056 -0.8501 -0.8367 1.0167 1.0263 1.1543 1.1626 6.2509 6.2527 6.9615 6.9696 7.1660 7.1711 7.5823 7.5845 8.0323 8.0578 8.9023 8.9224 9.0030 9.0201 9.2293 9.2452 9.7595 9.7612 13.0394 13.0426 13.8001 13.8020 13.9124 13.9147 14.8699 14.8704 k = 0.0000 0.5000 0.2511 ( 2760 PWs) bands (ev): -46.2855 -46.2855 -22.9830 -22.9829 -22.3415 -22.3414 -22.3106 -22.3104 -14.3078 -14.3077 -6.5334 -6.5318 -5.8208 -5.8190 -5.7161 -5.7149 -0.8545 -0.8412 1.0045 1.0127 1.1531 1.1628 6.2437 6.2454 6.9030 6.9099 7.1119 7.1157 7.5820 7.5838 8.0016 8.0251 8.9368 8.9575 8.9757 8.9926 9.2289 9.2424 9.8069 9.8083 13.1003 13.1036 13.8011 13.8028 13.9289 13.9310 14.8949 14.8955 k = 0.0000 0.5000 0.2636 ( 2756 PWs) bands (ev): -46.2855 -46.2855 -22.9835 -22.9834 -22.3420 -22.3419 -22.3112 -22.3111 -14.3047 -14.3047 -6.5111 -6.5095 -5.8188 -5.8169 -5.7255 -5.7241 -0.8589 -0.8457 0.9919 0.9990 1.1527 1.1636 6.2361 6.2376 6.8466 6.8524 7.0562 7.0590 7.5821 7.5836 7.9708 7.9925 8.9417 8.9453 8.9898 8.9997 9.2333 9.2447 9.8515 9.8527 13.1606 13.1639 13.8021 13.8035 13.9466 13.9484 14.9175 14.9182 k = 0.0000 0.5000 0.2762 ( 2750 PWs) bands (ev): -46.2854 -46.2854 -22.9840 -22.9839 -22.3426 -22.3425 -22.3119 -22.3117 -14.3017 -14.3017 -6.4886 -6.4869 -5.8171 -5.8150 -5.7348 -5.7333 -0.8632 -0.8502 0.9791 0.9852 1.1530 1.1647 6.2280 6.2294 6.7923 6.7971 6.9998 7.0016 7.5825 7.5837 7.9402 7.9602 8.9129 8.9186 9.0223 9.0353 9.2418 9.2515 9.8933 9.8942 13.2199 13.2232 13.8030 13.8043 13.9652 13.9669 14.9377 14.9385 k = 0.0000 0.5000 0.2887 ( 2750 PWs) bands (ev): -46.2854 -46.2854 -22.9846 -22.9845 -22.3432 -22.3431 -22.3125 -22.3124 -14.2988 -14.2987 -6.4661 -6.4643 -5.8156 -5.8135 -5.7440 -5.7423 -0.8674 -0.8547 0.9663 0.9716 1.1538 1.1661 6.2193 6.2205 6.7403 6.7443 6.9434 6.9444 7.5832 7.5841 7.9099 7.9284 8.8835 8.8888 9.0574 9.0707 9.2538 9.2622 9.9322 9.9330 13.2780 13.2812 13.8039 13.8050 13.9847 13.9862 14.9556 14.9565 k = 0.0000 0.5000 0.3013 ( 2744 PWs) bands (ev): -46.2854 -46.2854 -22.9851 -22.9850 -22.3438 -22.3437 -22.3130 -22.3129 -14.2958 -14.2958 -6.4435 -6.4417 -5.8146 -5.8123 -5.7530 -5.7511 -0.8715 -0.8591 0.9537 0.9583 1.1551 1.1677 6.2099 6.2110 6.6908 6.6941 6.8878 6.8882 7.5840 7.5848 7.8803 7.8972 8.8544 8.8589 9.0919 9.1050 9.2688 9.2763 9.9684 9.9691 13.3344 13.3376 13.8048 13.8058 14.0049 14.0063 14.9715 14.9725 k = 0.0000 0.5000 0.3138 ( 2746 PWs) bands (ev): -46.2853 -46.2853 -22.9856 -22.9855 -22.3444 -22.3444 -22.3136 -22.3134 -14.2930 -14.2930 -6.4212 -6.4193 -5.8140 -5.8113 -5.7619 -5.7596 -0.8754 -0.8635 0.9414 0.9454 1.1567 1.1695 6.1997 6.2007 6.6438 6.6464 6.8335 6.8341 7.5850 7.5858 7.8514 7.8669 8.8261 8.8298 9.1250 9.1377 9.2862 9.2932 10.0018 10.0024 13.3890 13.3922 13.8056 13.8065 14.0256 14.0268 14.9855 14.9866 k = 0.0000 0.5000 0.3264 ( 2748 PWs) bands (ev): -46.2853 -46.2853 -22.9861 -22.9860 -22.3451 -22.3450 -22.3140 -22.3139 -14.2902 -14.2902 -6.3991 -6.3973 -5.8139 -5.8108 -5.7705 -5.7677 -0.8792 -0.8678 0.9295 0.9329 1.1586 1.1713 6.1886 6.1894 6.5993 6.6014 6.7814 6.7827 7.5861 7.5869 7.8236 7.8377 8.7987 8.8018 9.1564 9.1686 9.3055 9.3122 10.0325 10.0332 13.4416 13.4446 13.8064 13.8072 14.0466 14.0477 14.9978 14.9990 k = 0.0000 0.5000 0.3389 ( 2748 PWs) bands (ev): -46.2853 -46.2853 -22.9866 -22.9865 -22.3458 -22.3457 -22.3145 -22.3144 -14.2875 -14.2875 -6.3775 -6.3757 -5.8143 -5.8106 -5.7788 -5.7753 -0.8828 -0.8719 0.9181 0.9211 1.1608 1.1732 6.1765 6.1772 6.5574 6.5591 6.7326 6.7343 7.5874 7.5882 7.7969 7.8097 8.7725 8.7750 9.1859 9.1975 9.3263 9.3328 10.0606 10.0613 13.4917 13.4947 13.8072 13.8079 14.0676 14.0686 15.0085 15.0097 k = 0.0000 0.5000 0.3515 ( 2754 PWs) bands (ev): -46.2852 -46.2852 -22.9871 -22.9870 -22.3465 -22.3464 -22.3149 -22.3148 -14.2850 -14.2850 -6.3565 -6.3547 -5.8154 -5.8107 -5.7868 -5.7822 -0.8862 -0.8759 0.9073 0.9098 1.1631 1.1752 6.1634 6.1640 6.5181 6.5196 6.6875 6.6896 7.5887 7.5896 7.7715 7.7830 8.7477 8.7497 9.2134 9.2242 9.3479 9.3542 10.0862 10.0869 13.5393 13.5421 13.8079 13.8086 14.0885 14.0893 15.0178 15.0190 k = 0.0000 0.5000 0.3640 ( 2750 PWs) bands (ev): -46.2852 -46.2852 -22.9875 -22.9874 -22.3470 -22.3470 -22.3152 -22.3151 -14.2826 -14.2826 -6.3362 -6.3344 -5.8171 -5.8111 -5.7943 -5.7884 -0.8893 -0.8797 0.8971 0.8993 1.1655 1.1770 6.1493 6.1497 6.4815 6.4829 6.6466 6.6490 7.5900 7.5910 7.7475 7.7579 8.7243 8.7260 9.2388 9.2488 9.3699 9.3759 10.1093 10.1100 13.5840 13.5867 13.8086 13.8093 14.1089 14.1097 15.0258 15.0270 k = 0.0000 0.5000 0.3766 ( 2750 PWs) bands (ev): -46.2852 -46.2852 -22.9879 -22.9878 -22.3476 -22.3476 -22.3155 -22.3154 -14.2803 -14.2803 -6.3168 -6.3151 -5.8195 -5.8119 -5.8014 -5.7938 -0.8922 -0.8833 0.8877 0.8896 1.1679 1.1788 6.1342 6.1347 6.4477 6.4491 6.6104 6.6128 7.5914 7.5925 7.7252 7.7345 8.7026 8.7040 9.2622 9.2713 9.3917 9.3973 10.1301 10.1307 13.6256 13.6282 13.8093 13.8100 14.1287 14.1293 15.0326 15.0338 k = 0.0000 0.5000 0.3891 ( 2748 PWs) bands (ev): -46.2851 -46.2851 -22.9883 -22.9882 -22.3482 -22.3481 -22.3158 -22.3157 -14.2783 -14.2783 -6.2985 -6.2968 -5.8225 -5.8132 -5.8077 -5.7984 -0.8948 -0.8867 0.8790 0.8807 1.1704 1.1805 6.1185 6.1191 6.4167 6.4180 6.5788 6.5812 7.5928 7.5940 7.7046 7.7128 8.6827 8.6838 9.2835 9.2916 9.4128 9.4180 10.1485 10.1492 13.6639 13.6664 13.8100 13.8107 14.1475 14.1481 15.0385 15.0396 k = 0.0000 0.5000 0.4017 ( 2750 PWs) bands (ev): -46.2851 -46.2851 -22.9886 -22.9886 -22.3488 -22.3487 -22.3160 -22.3159 -14.2764 -14.2764 -6.2814 -6.2798 -5.8259 -5.8161 -5.8121 -5.8023 -0.8971 -0.8898 0.8712 0.8726 1.1728 1.1821 6.1026 6.1032 6.3886 6.3899 6.5518 6.5541 7.5941 7.5955 7.6859 7.6930 8.6646 8.6654 9.3027 9.3099 9.4328 9.4375 10.1648 10.1654 13.6986 13.7011 13.8106 13.8115 14.1651 14.1656 15.0434 15.0445 k = 0.0000 0.5000 0.4142 ( 2750 PWs) bands (ev): -46.2851 -46.2851 -22.9889 -22.9889 -22.3492 -22.3492 -22.3162 -22.3161 -14.2747 -14.2746 -6.2657 -6.2642 -5.8294 -5.8209 -5.8141 -5.8056 -0.8991 -0.8926 0.8642 0.8653 1.1751 1.1834 6.0868 6.0875 6.3636 6.3648 6.5292 6.5312 7.5954 7.5970 7.6691 7.6752 8.6484 8.6491 9.3198 9.3260 9.4513 9.4554 10.1789 10.1795 13.7296 13.7320 13.8112 13.8123 14.1813 14.1817 15.0474 15.0485 k = 0.0000 0.5000 0.4268 ( 2740 PWs) bands (ev): -46.2851 -46.2851 -22.9892 -22.9891 -22.3496 -22.3496 -22.3163 -22.3162 -14.2731 -14.2731 -6.2515 -6.2502 -5.8328 -5.8258 -5.8155 -5.8085 -0.9008 -0.8952 0.8581 0.8590 1.1772 1.1845 6.0718 6.0725 6.3418 6.3428 6.5106 6.5124 7.5966 7.5984 7.6543 7.6595 8.6342 8.6348 9.3348 9.3401 9.4679 9.4714 10.1910 10.1915 13.7565 13.7589 13.8120 13.8134 14.1959 14.1962 15.0508 15.0517 k = 0.0000 0.5000 0.4394 ( 2728 PWs) bands (ev): -46.2851 -46.2851 -22.9893 -22.9893 -22.3499 -22.3499 -22.3164 -22.3164 -14.2719 -14.2718 -6.2392 -6.2380 -5.8359 -5.8302 -5.8167 -5.8110 -0.9022 -0.8975 0.8529 0.8537 1.1793 1.1854 6.0580 6.0587 6.3232 6.3241 6.4957 6.4973 7.5977 7.5998 7.6416 7.6459 8.6222 8.6226 9.3477 9.3521 9.4824 9.4854 10.2011 10.2016 13.7788 13.7813 13.8132 13.8151 14.2085 14.2089 15.0535 15.0544 k = 0.0000 0.5000 0.4519 ( 2732 PWs) bands (ev): -46.2850 -46.2850 -22.9896 -22.9895 -22.3502 -22.3502 -22.3165 -22.3165 -14.2708 -14.2708 -6.2287 -6.2277 -5.8384 -5.8340 -5.8177 -5.8132 -0.9033 -0.8994 0.8486 0.8492 1.1811 1.1861 6.0460 6.0466 6.3079 6.3087 6.4842 6.4854 7.5989 7.6012 7.6309 7.6345 8.6122 8.6125 9.3584 9.3618 9.4946 9.4969 10.2093 10.2097 13.7951 13.7980 13.8161 13.8186 14.2192 14.2194 15.0557 15.0564 k = 0.0000 0.5000 0.4645 ( 2736 PWs) bands (ev): -46.2850 -46.2850 -22.9897 -22.9897 -22.3505 -22.3505 -22.3166 -22.3166 -14.2699 -14.2699 -6.2204 -6.2196 -5.8404 -5.8371 -5.8185 -5.8151 -0.9040 -0.9011 0.8453 0.8457 1.1826 1.1865 6.0362 6.0367 6.2960 6.2966 6.4755 6.4764 7.6000 7.6026 7.6223 7.6253 8.6044 8.6046 9.3668 9.3694 9.5043 9.5060 10.2156 10.2159 13.8039 13.8061 13.8233 13.8253 14.2277 14.2278 15.0573 15.0578 k = 0.0000 0.5000 0.4770 ( 2740 PWs) bands (ev): -46.2850 -46.2850 -22.9899 -22.9898 -22.3507 -22.3507 -22.3167 -22.3167 -14.2693 -14.2693 -6.2142 -6.2137 -5.8418 -5.8395 -5.8189 -5.8167 -0.9044 -0.9024 0.8429 0.8432 1.1840 1.1865 6.0289 6.0293 6.2875 6.2879 6.4696 6.4702 7.6013 7.6041 7.6155 7.6183 8.5988 8.5989 9.3730 9.3747 9.5113 9.5125 10.2201 10.2203 13.8073 13.8084 13.8320 13.8331 14.2338 14.2339 15.0585 15.0588 k = 0.0000 0.5000 0.4896 ( 2742 PWs) bands (ev): -46.2850 -46.2850 -22.9899 -22.9899 -22.3508 -22.3508 -22.3168 -22.3168 -14.2690 -14.2690 -6.2105 -6.2102 -5.8423 -5.8412 -5.8190 -5.8179 -0.9044 -0.9034 0.8415 0.8417 1.1850 1.1863 6.0245 6.0247 6.2825 6.2827 6.4662 6.4665 7.6030 7.6055 7.6108 7.6132 8.5955 8.5955 9.3769 9.3777 9.5157 9.5163 10.2228 10.2229 13.8086 13.8091 13.8380 13.8384 14.2375 14.2376 15.0592 15.0594 k = 0.0000 0.5000 0.5021 ( 2744 PWs) bands (ev): -46.2850 -46.2850 -22.9900 -22.9900 -22.3508 -22.3508 -22.3168 -22.3168 -14.2689 -14.2689 -6.2091 -6.2091 -5.8422 -5.8422 -5.8186 -5.8186 -0.9041 -0.9041 0.8411 0.8411 1.1858 1.1858 6.0231 6.0231 6.2808 6.2808 6.4652 6.4652 7.6051 7.6051 7.6101 7.6101 8.5944 8.5944 9.3785 9.3785 9.5174 9.5174 10.2237 10.2237 13.8091 13.8091 13.8402 13.8402 14.2388 14.2388 15.0595 15.0595 k = 0.0000 0.5000 0.5021 ( 2744 PWs) bands (ev): -46.2850 -46.2850 -22.9900 -22.9900 -22.3508 -22.3508 -22.3168 -22.3168 -14.2689 -14.2689 -6.2091 -6.2091 -5.8422 -5.8422 -5.8186 -5.8186 -0.9041 -0.9041 0.8411 0.8411 1.1858 1.1858 6.0231 6.0231 6.2808 6.2808 6.4652 6.4652 7.6051 7.6051 7.6101 7.6101 8.5944 8.5944 9.3785 9.3785 9.5174 9.5174 10.2237 10.2237 13.8091 13.8091 13.8402 13.8402 14.2388 14.2388 15.0595 15.0595 k = 0.0125 0.5000 0.5021 ( 2738 PWs) bands (ev): -46.2850 -46.2850 -22.9899 -22.9899 -22.3508 -22.3508 -22.3168 -22.3168 -14.2688 -14.2688 -6.2084 -6.2083 -5.8419 -5.8419 -5.8184 -5.8184 -0.9055 -0.9048 0.8399 0.8399 1.1832 1.1843 6.0231 6.0231 6.2835 6.2839 6.4652 6.4652 7.6056 7.6058 7.6110 7.6112 8.5897 8.5897 9.3794 9.3795 9.5179 9.5180 10.2238 10.2239 13.8099 13.8101 13.8410 13.8411 14.2391 14.2392 15.0646 15.0648 k = 0.0250 0.5000 0.5021 ( 2732 PWs) bands (ev): -46.2850 -46.2850 -22.9900 -22.9900 -22.3508 -22.3508 -22.3169 -22.3169 -14.2685 -14.2685 -6.2061 -6.2059 -5.8411 -5.8410 -5.8178 -5.8177 -0.9089 -0.9075 0.8363 0.8364 1.1765 1.1788 6.0232 6.0232 6.2920 6.2928 6.4652 6.4652 7.6073 7.6079 7.6141 7.6144 8.5757 8.5758 9.3822 9.3826 9.5196 9.5197 10.2242 10.2242 13.8124 13.8129 13.8435 13.8437 14.2402 14.2402 15.0801 15.0803 k = 0.0374 0.5000 0.5021 ( 2732 PWs) bands (ev): -46.2850 -46.2850 -22.9901 -22.9901 -22.3507 -22.3507 -22.3172 -22.3172 -14.2680 -14.2680 -6.2022 -6.2020 -5.8398 -5.8397 -5.8167 -5.8165 -0.9144 -0.9123 0.8304 0.8305 1.1659 1.1692 6.0233 6.0234 6.3061 6.3072 6.4653 6.4653 7.6099 7.6108 7.6195 7.6198 8.5526 8.5528 9.3871 9.3877 9.5224 9.5226 10.2247 10.2248 13.8167 13.8174 13.8477 13.8479 14.2419 14.2420 15.1056 15.1060 k = 0.0499 0.5000 0.5021 ( 2740 PWs) bands (ev): -46.2850 -46.2850 -22.9902 -22.9902 -22.3507 -22.3507 -22.3176 -22.3176 -14.2673 -14.2673 -6.1968 -6.1966 -5.8380 -5.8378 -5.8151 -5.8149 -0.9220 -0.9192 0.8222 0.8223 1.1513 1.1557 6.0235 6.0236 6.3257 6.3272 6.4654 6.4655 7.6133 7.6147 7.6273 7.6275 8.5208 8.5210 9.3940 9.3947 9.5264 9.5267 10.2254 10.2255 13.8228 13.8237 13.8536 13.8539 14.2444 14.2445 15.1408 15.1413 k = 0.0624 0.5000 0.5021 ( 2742 PWs) bands (ev): -46.2850 -46.2850 -22.9904 -22.9904 -22.3507 -22.3507 -22.3181 -22.3181 -14.2665 -14.2665 -6.1899 -6.1897 -5.8356 -5.8353 -5.8131 -5.8128 -0.9314 -0.9280 0.8118 0.8119 1.1331 1.1385 6.0237 6.0238 6.3507 6.3524 6.4656 6.4657 7.6174 7.6193 7.6372 7.6374 8.4807 8.4809 9.4029 9.4038 9.5316 9.5319 10.2264 10.2265 13.8306 13.8316 13.8611 13.8615 14.2475 14.2476 15.1853 15.1859 k = 0.0749 0.5000 0.5021 ( 2744 PWs) bands (ev): -46.2850 -46.2850 -22.9906 -22.9906 -22.3507 -22.3507 -22.3186 -22.3186 -14.2654 -14.2654 -6.1816 -6.1813 -5.8327 -5.8324 -5.8107 -5.8103 -0.9428 -0.9387 0.7992 0.7994 1.1114 1.1178 6.0240 6.0241 6.3806 6.3825 6.4658 6.4659 7.6224 7.6247 7.6490 7.6492 8.4329 8.4331 9.4138 9.4149 9.5381 9.5385 10.2276 10.2277 13.8400 13.8413 13.8702 13.8707 14.2513 14.2515 15.2384 15.2391 k = 0.0873 0.5000 0.5021 ( 2744 PWs) bands (ev): -46.2850 -46.2850 -22.9908 -22.9908 -22.3506 -22.3506 -22.3193 -22.3193 -14.2642 -14.2642 -6.1718 -6.1715 -5.8293 -5.8290 -5.8078 -5.8074 -0.9560 -0.9513 0.7846 0.7848 1.0865 1.0937 6.0242 6.0244 6.4153 6.4171 6.4660 6.4664 7.6281 7.6309 7.6626 7.6628 8.3779 8.3782 9.4268 9.4280 9.5459 9.5463 10.2289 10.2291 13.8511 13.8525 13.8809 13.8815 14.2557 14.2559 15.2996 15.3004 k = 0.0998 0.5000 0.5021 ( 2746 PWs) bands (ev): -46.2849 -46.2849 -22.9911 -22.9911 -22.3506 -22.3506 -22.3200 -22.3200 -14.2629 -14.2629 -6.1607 -6.1603 -5.8255 -5.8251 -5.8045 -5.8041 -0.9708 -0.9656 0.7681 0.7683 1.0586 1.0667 6.0245 6.0247 6.4543 6.4545 6.4664 6.4685 7.6343 7.6377 7.6778 7.6780 8.3166 8.3169 9.4417 9.4431 9.5551 9.5556 10.2305 10.2307 13.8638 13.8653 13.8931 13.8937 14.2608 14.2610 15.3681 15.3689 k = 0.1123 0.5000 0.5021 ( 2744 PWs) bands (ev): -46.2849 -46.2849 -22.9914 -22.9914 -22.3505 -22.3505 -22.3209 -22.3208 -14.2613 -14.2613 -6.1483 -6.1477 -5.8212 -5.8207 -5.8009 -5.8004 -0.9873 -0.9815 0.7497 0.7500 1.0281 1.0369 6.0248 6.0249 6.4655 6.4665 6.4977 6.5010 7.6412 7.6450 7.6944 7.6945 8.2495 8.2499 9.4587 9.4602 9.5658 9.5663 10.2322 10.2324 13.8780 13.8795 13.9068 13.9075 14.2664 14.2667 15.4430 15.4439 k = 0.1248 0.5000 0.5021 ( 2748 PWs) bands (ev): -46.2849 -46.2849 -22.9917 -22.9917 -22.3505 -22.3505 -22.3218 -22.3217 -14.2596 -14.2596 -6.1346 -6.1340 -5.8165 -5.8160 -5.7968 -5.7963 -1.0053 -0.9990 0.7297 0.7300 0.9951 1.0046 6.0250 6.0251 6.4662 6.4668 6.5444 6.5472 7.6484 7.6528 7.7120 7.7121 8.1776 8.1780 9.4777 9.4793 9.5781 9.5786 10.2341 10.2343 13.8936 13.8952 13.9218 13.9226 14.2726 14.2729 15.5237 15.5246 k = 0.1373 0.5000 0.5021 ( 2748 PWs) bands (ev): -46.2849 -46.2849 -22.9921 -22.9920 -22.3504 -22.3504 -22.3227 -22.3227 -14.2578 -14.2578 -6.1197 -6.1190 -5.8113 -5.8108 -5.7924 -5.7918 -1.0247 -1.0179 0.7082 0.7085 0.9601 0.9703 6.0251 6.0253 6.4667 6.4672 6.5943 6.5969 7.6560 7.6609 7.7304 7.7304 8.1016 8.1021 9.4987 9.5003 9.5919 9.5925 10.2361 10.2364 13.9106 13.9123 13.9382 13.9390 14.2793 14.2797 15.6092 15.6102 k = 0.1497 0.5000 0.5021 ( 2750 PWs) bands (ev): -46.2848 -46.2848 -22.9924 -22.9924 -22.3504 -22.3504 -22.3238 -22.3237 -14.2559 -14.2559 -6.1037 -6.1030 -5.8058 -5.8052 -5.7877 -5.7871 -1.0453 -1.0381 0.6853 0.6857 0.9234 0.9341 6.0251 6.0253 6.4672 6.4675 6.6470 6.6493 7.6638 7.6693 7.7491 7.7492 8.0225 8.0230 9.5216 9.5233 9.6075 9.6081 10.2383 10.2387 13.9289 13.9306 13.9558 13.9567 14.2865 14.2869 15.6987 15.6998 k = 0.1622 0.5000 0.5021 ( 2746 PWs) bands (ev): -46.2848 -46.2848 -22.9928 -22.9928 -22.3503 -22.3503 -22.3249 -22.3248 -14.2538 -14.2538 -6.0867 -6.0859 -5.8000 -5.7993 -5.7827 -5.7820 -1.0671 -1.0595 0.6613 0.6616 0.8852 0.8963 6.0250 6.0253 6.4676 6.4679 6.7020 6.7039 7.6717 7.6777 7.7674 7.7675 7.9416 7.9423 9.5464 9.5481 9.6248 9.6255 10.2407 10.2410 13.9483 13.9501 13.9746 13.9756 14.2942 14.2946 15.7915 15.7926 k = 0.1747 0.5000 0.5021 ( 2750 PWs) bands (ev): -46.2848 -46.2848 -22.9932 -22.9932 -22.3502 -22.3502 -22.3260 -22.3260 -14.2517 -14.2516 -6.0688 -6.0679 -5.7938 -5.7931 -5.7774 -5.7766 -1.0898 -1.0818 0.6361 0.6366 0.8458 0.8574 6.0248 6.0250 6.4680 6.4684 6.7587 6.7602 7.6791 7.6856 7.7816 7.7819 7.8635 7.8645 9.5730 9.5748 9.6438 9.6446 10.2431 10.2435 13.9689 13.9706 13.9945 13.9955 14.3022 14.3027 15.8866 15.8878 k = 0.1872 0.5000 0.5021 ( 2748 PWs) bands (ev): -46.2847 -46.2847 -22.9937 -22.9936 -22.3501 -22.3501 -22.3272 -22.3272 -14.2494 -14.2494 -6.0501 -6.0491 -5.7874 -5.7866 -5.7718 -5.7710 -1.1133 -1.1051 0.6102 0.6106 0.8057 0.8176 6.0243 6.0245 6.4685 6.4688 6.8168 6.8178 7.6839 7.6902 7.7581 7.7589 7.8249 7.8257 9.6014 9.6031 9.6647 9.6655 10.2457 10.2461 13.9904 13.9921 14.0154 14.0164 14.3106 14.3111 15.9833 15.9846 k = 0.1996 0.5000 0.5021 ( 2746 PWs) bands (ev): -46.2847 -46.2847 -22.9941 -22.9941 -22.3500 -22.3500 -22.3284 -22.3284 -14.2471 -14.2470 -6.0306 -6.0296 -5.7808 -5.7799 -5.7659 -5.7651 -1.1375 -1.1291 0.5835 0.5840 0.7650 0.7771 6.0235 6.0237 6.4690 6.4693 6.8758 6.8762 7.6589 7.6601 7.7129 7.7199 7.8366 7.8369 9.6313 9.6330 9.6874 9.6883 10.2483 10.2488 14.0128 14.0145 14.0371 14.0382 14.3193 14.3199 16.0806 16.0821 k = 0.2121 0.5000 0.5021 ( 2740 PWs) bands (ev): -46.2847 -46.2847 -22.9946 -22.9945 -22.3499 -22.3499 -22.3296 -22.3296 -14.2446 -14.2446 -6.0106 -6.0094 -5.7740 -5.7730 -5.7599 -5.7590 -1.1622 -1.1536 0.5563 0.5569 0.7240 0.7363 6.0224 6.0226 6.4695 6.4698 6.9349 6.9351 7.5819 7.5820 7.7135 7.7224 7.8542 7.8543 9.6627 9.6643 9.7118 9.7129 10.2510 10.2516 14.0360 14.0376 14.0596 14.0607 14.3282 14.3289 16.1779 16.1795 k = 0.2246 0.5000 0.5021 ( 2740 PWs) bands (ev): -46.2846 -46.2846 -22.9950 -22.9950 -22.3499 -22.3499 -22.3309 -22.3308 -14.2422 -14.2422 -5.9900 -5.9888 -5.7670 -5.7660 -5.7536 -5.7527 -1.1873 -1.1786 0.5288 0.5294 0.6830 0.6954 6.0208 6.0211 6.4700 6.4703 6.9933 6.9944 7.4974 7.4975 7.7211 7.7309 7.8722 7.8723 9.6954 9.6968 9.7380 9.7392 10.2538 10.2544 14.0598 14.0614 14.0827 14.0839 14.3374 14.3381 16.2741 16.2759 k = 0.2371 0.5000 0.5021 ( 2742 PWs) bands (ev): -46.2846 -46.2846 -22.9955 -22.9955 -22.3498 -22.3498 -22.3322 -22.3321 -14.2397 -14.2397 -5.9691 -5.9677 -5.7600 -5.7588 -5.7472 -5.7463 -1.2126 -1.2038 0.5011 0.5018 0.6422 0.6546 6.0188 6.0191 6.4706 6.4708 7.0510 7.0530 7.4125 7.4127 7.7300 7.7406 7.8899 7.8899 9.7292 9.7304 9.7659 9.7673 10.2566 10.2573 14.0841 14.0857 14.1064 14.1076 14.3466 14.3474 16.3684 16.3704 k = 0.2495 0.5000 0.5021 ( 2748 PWs) bands (ev): -46.2846 -46.2846 -22.9960 -22.9960 -22.3497 -22.3497 -22.3335 -22.3334 -14.2372 -14.2372 -5.9479 -5.9464 -5.7530 -5.7517 -5.7406 -5.7398 -1.2379 -1.2291 0.4735 0.4742 0.6019 0.6143 6.0163 6.0166 6.4711 6.4713 7.1075 7.1104 7.3287 7.3289 7.7396 7.7511 7.9068 7.9068 9.7638 9.7648 9.7954 9.7969 10.2595 10.2602 14.1089 14.1104 14.1304 14.1318 14.3560 14.3569 16.4598 16.4622 k = 0.2620 0.5000 0.5021 ( 2752 PWs) bands (ev): -46.2845 -46.2845 -22.9966 -22.9965 -22.3497 -22.3497 -22.3348 -22.3347 -14.2347 -14.2347 -5.9266 -5.9250 -5.7460 -5.7445 -5.7339 -5.7331 -1.2631 -1.2544 0.4459 0.4467 0.5623 0.5746 6.0131 6.0134 6.4716 6.4719 7.1623 7.1661 7.2470 7.2472 7.7500 7.7623 7.9228 7.9229 9.7991 9.7998 9.8263 9.8281 10.2623 10.2631 14.1339 14.1353 14.1548 14.1562 14.3654 14.3664 16.5474 16.5501 k = 0.2745 0.5000 0.5021 ( 2754 PWs) bands (ev): -46.2845 -46.2845 -22.9971 -22.9970 -22.3496 -22.3496 -22.3360 -22.3360 -14.2322 -14.2322 -5.9054 -5.9036 -5.7391 -5.7374 -5.7272 -5.7264 -1.2881 -1.2794 0.4188 0.4196 0.5235 0.5357 6.0091 6.0094 6.4722 6.4724 7.1670 7.1672 7.2154 7.2203 7.7612 7.7744 7.9379 7.9380 9.8346 9.8351 9.8586 9.8605 10.2651 10.2660 14.1590 14.1604 14.1793 14.1808 14.3747 14.3758 16.6300 16.6333 k = 0.2870 0.5000 0.5021 ( 2758 PWs) bands (ev): -46.2845 -46.2845 -22.9976 -22.9975 -22.3496 -22.3496 -22.3373 -22.3373 -14.2297 -14.2297 -5.8843 -5.8824 -5.7324 -5.7304 -5.7203 -5.7196 -1.3127 -1.3041 0.3921 0.3930 0.4859 0.4979 6.0044 6.0047 6.4727 6.4729 7.0908 7.0911 7.2650 7.2710 7.7733 7.7873 7.9519 7.9521 9.8702 9.8705 9.8919 9.8941 10.2679 10.2689 14.1842 14.1855 14.2039 14.2054 14.3840 14.3852 16.7064 16.7105 k = 0.2995 0.5000 0.5021 ( 2752 PWs) bands (ev): -46.2844 -46.2844 -22.9980 -22.9980 -22.3495 -22.3495 -22.3384 -22.3384 -14.2273 -14.2273 -5.8634 -5.8614 -5.7258 -5.7236 -5.7135 -5.7128 -1.3367 -1.3284 0.3660 0.3670 0.4495 0.4612 5.9987 5.9990 6.4732 6.4735 7.0180 7.0183 7.3116 7.3186 7.7867 7.8014 7.9648 7.9650 9.9057 9.9057 9.9261 9.9284 10.2707 10.2718 14.2092 14.2104 14.2283 14.2299 14.3932 14.3944 16.7756 16.7805 k = 0.3119 0.5000 0.5021 ( 2752 PWs) bands (ev): -46.2844 -46.2844 -22.9985 -22.9985 -22.3495 -22.3495 -22.3396 -22.3396 -14.2250 -14.2250 -5.8431 -5.8408 -5.7194 -5.7169 -5.7067 -5.7061 -1.3600 -1.3519 0.3407 0.3418 0.4146 0.4260 5.9920 5.9923 6.4738 6.4740 6.9492 6.9494 7.3546 7.3624 7.8015 7.8168 7.9766 7.9769 9.9407 9.9407 9.9608 9.9631 10.2733 10.2745 14.2339 14.2351 14.2524 14.2541 14.4021 14.4034 16.8364 16.8424 k = 0.3244 0.5000 0.5021 ( 2756 PWs) bands (ev): -46.2843 -46.2843 -22.9990 -22.9989 -22.3495 -22.3495 -22.3407 -22.3407 -14.2227 -14.2227 -5.8233 -5.8207 -5.7132 -5.7105 -5.7000 -5.6995 -1.3825 -1.3747 0.3163 0.3175 0.3812 0.3923 5.9842 5.9845 6.4743 6.4745 6.8847 6.8849 7.3935 7.4020 7.8179 7.8336 7.9873 7.9877 9.9751 9.9752 9.9955 9.9979 10.2759 10.2773 14.2582 14.2593 14.2762 14.2779 14.4108 14.4122 16.8878 16.8951 k = 0.3369 0.5000 0.5021 ( 2754 PWs) bands (ev): -46.2843 -46.2843 -22.9994 -22.9994 -22.3495 -22.3495 -22.3417 -22.3417 -14.2205 -14.2205 -5.8042 -5.8014 -5.7073 -5.7042 -5.6934 -5.6931 -1.4040 -1.3966 0.2930 0.2943 0.3496 0.3603 5.9753 5.9756 6.4747 6.4749 6.8249 6.8252 7.4282 7.4372 7.8359 7.8517 7.9970 7.9974 10.0089 10.0090 10.0299 10.0322 10.2784 10.2799 14.2819 14.2829 14.2993 14.3011 14.4191 14.4206 16.9295 16.9383 k = 0.3494 0.5000 0.5021 ( 2752 PWs) bands (ev): -46.2843 -46.2843 -22.9998 -22.9998 -22.3495 -22.3495 -22.3427 -22.3427 -14.2184 -14.2183 -5.7859 -5.7829 -5.7017 -5.6983 -5.6871 -5.6868 -1.4245 -1.4174 0.2709 0.2723 0.3199 0.3301 5.9654 5.9657 6.4752 6.4754 6.7701 6.7704 7.4585 7.4677 7.8554 7.8711 8.0057 8.0062 10.0418 10.0418 10.0635 10.0657 10.2808 10.2825 14.3048 14.3058 14.3217 14.3236 14.4271 14.4287 16.9616 16.9720 k = 0.3618 0.5000 0.5021 ( 2752 PWs) bands (ev): -46.2843 -46.2843 -23.0002 -23.0002 -22.3496 -22.3495 -22.3435 -22.3435 -14.2164 -14.2164 -5.7687 -5.7653 -5.6963 -5.6925 -5.6810 -5.6808 -1.4437 -1.4371 0.2500 0.2515 0.2921 0.3018 5.9544 5.9547 6.4756 6.4758 6.7205 6.7208 7.4846 7.4937 7.8762 7.8914 8.0134 8.0139 10.0734 10.0735 10.0959 10.0981 10.2831 10.2849 14.3268 14.3277 14.3432 14.3452 14.4347 14.4364 16.9848 16.9969 k = 0.3743 0.5000 0.5021 ( 2758 PWs) bands (ev): -46.2842 -46.2842 -23.0006 -23.0006 -22.3497 -22.3497 -22.3443 -22.3443 -14.2145 -14.2145 -5.7527 -5.7489 -5.6913 -5.6871 -5.6753 -5.6752 -1.4617 -1.4555 0.2306 0.2322 0.2664 0.2756 5.9425 5.9428 6.4760 6.4762 6.6762 6.6765 7.5068 7.5155 7.8978 7.9122 8.0201 8.0208 10.1036 10.1038 10.1267 10.1290 10.2852 10.2872 14.3477 14.3486 14.3636 14.3657 14.4419 14.4437 17.0005 17.0143 k = 0.3868 0.5000 0.5021 ( 2766 PWs) bands (ev): -46.2842 -46.2842 -23.0010 -23.0010 -22.3499 -22.3498 -22.3450 -22.3450 -14.2128 -14.2128 -5.7379 -5.7338 -5.6865 -5.6818 -5.6699 -5.6699 -1.4782 -1.4726 0.2126 0.2143 0.2430 0.2516 5.9301 5.9303 6.4763 6.4765 6.6372 6.6374 7.5252 7.5333 7.9196 7.9330 8.0261 8.0268 10.1321 10.1323 10.1557 10.1580 10.2872 10.2894 14.3674 14.3682 14.3828 14.3850 14.4486 14.4505 17.0100 17.0255 k = 0.3993 0.5000 0.5021 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0013 -23.0013 -22.3501 -22.3500 -22.3456 -22.3456 -14.2112 -14.2112 -5.7246 -5.7200 -5.6820 -5.6769 -5.6651 -5.6650 -1.4932 -1.4881 0.1962 0.1980 0.2218 0.2298 5.9172 5.9175 6.4766 6.4767 6.6033 6.6035 7.5405 7.5479 7.9411 7.9533 8.0312 8.0320 10.1584 10.1588 10.1825 10.1849 10.2890 10.2915 14.3856 14.3864 14.4004 14.4027 14.4548 14.4569 17.0149 17.0320 k = 0.4118 0.5000 0.5021 ( 2778 PWs) bands (ev): -46.2842 -46.2842 -23.0017 -23.0016 -22.3503 -22.3503 -22.3461 -22.3461 -14.2098 -14.2098 -5.7129 -5.7079 -5.6778 -5.6721 -5.6607 -5.6605 -1.5067 -1.5022 0.1815 0.1833 0.2030 0.2104 5.9045 5.9047 6.4768 6.4769 6.5745 6.5747 7.5530 7.5595 7.9614 7.9725 8.0356 8.0365 10.1825 10.1830 10.2069 10.2093 10.2907 10.2935 14.4022 14.4029 14.4164 14.4189 14.4605 14.4627 17.0163 17.0349 k = 0.4242 0.5000 0.5021 ( 2784 PWs) bands (ev): -46.2842 -46.2842 -23.0019 -23.0019 -22.3506 -22.3506 -22.3465 -22.3465 -14.2085 -14.2085 -5.7029 -5.6976 -5.6735 -5.6676 -5.6567 -5.6565 -1.5185 -1.5145 0.1685 0.1703 0.1868 0.1934 5.8922 5.8924 6.4769 6.4770 6.5504 6.5505 7.5631 7.5687 7.9802 7.9900 8.0393 8.0404 10.2039 10.2045 10.2285 10.2311 10.2922 10.2954 14.4170 14.4176 14.4305 14.4331 14.4657 14.4681 17.0154 17.0353 k = 0.4367 0.5000 0.5021 ( 2806 PWs) bands (ev): -46.2842 -46.2842 -23.0022 -23.0022 -22.3509 -22.3509 -22.3468 -22.3468 -14.2075 -14.2074 -5.6947 -5.6895 -5.6693 -5.6634 -5.6533 -5.6530 -1.5285 -1.5252 0.1574 0.1591 0.1731 0.1788 5.8809 5.8810 6.4769 6.4770 6.5307 6.5309 7.5711 7.5758 7.9970 8.0053 8.0425 8.0437 10.2225 10.2232 10.2470 10.2499 10.2937 10.2973 14.4299 14.4304 14.4425 14.4452 14.4706 14.4730 17.0130 17.0336 k = 0.4492 0.5000 0.5021 ( 2804 PWs) bands (ev): -46.2841 -46.2841 -23.0024 -23.0024 -22.3512 -22.3512 -22.3469 -22.3469 -14.2066 -14.2066 -5.6881 -5.6835 -5.6649 -5.6597 -5.6504 -5.6501 -1.5368 -1.5341 0.1481 0.1496 0.1620 0.1668 5.8709 5.8710 6.4767 6.4768 6.5154 6.5155 7.5775 7.5811 8.0112 8.0182 8.0451 8.0464 10.2380 10.2388 10.2623 10.2656 10.2951 10.2991 14.4406 14.4411 14.4523 14.4549 14.4751 14.4775 17.0100 17.0300 k = 0.4617 0.5000 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0025 -23.0025 -22.3514 -22.3514 -22.3470 -22.3470 -14.2059 -14.2059 -5.6832 -5.6796 -5.6607 -5.6565 -5.6481 -5.6477 -1.5432 -1.5412 0.1408 0.1420 0.1536 0.1572 5.8626 5.8627 6.4762 6.4763 6.5040 6.5041 7.5823 7.5850 8.0225 8.0281 8.0474 8.0487 10.2502 10.2510 10.2741 10.2776 10.2967 10.3010 14.4492 14.4495 14.4597 14.4619 14.4793 14.4814 17.0072 17.0248 k = 0.4741 0.5000 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0026 -22.3515 -22.3515 -22.3471 -22.3471 -14.2053 -14.2053 -5.6797 -5.6772 -5.6572 -5.6543 -5.6463 -5.6460 -1.5478 -1.5464 0.1355 0.1364 0.1478 0.1502 5.8565 5.8565 6.4755 6.4755 6.4965 6.4965 7.5857 7.5875 8.0309 8.0348 8.0495 8.0506 10.2591 10.2598 10.2824 10.2854 10.2990 10.3026 14.4553 14.4556 14.4650 14.4665 14.4831 14.4845 17.0055 17.0186 k = 0.4866 0.5000 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3516 -22.3516 -22.3471 -22.3471 -14.2050 -14.2050 -5.6774 -5.6761 -5.6546 -5.6532 -5.6451 -5.6450 -1.5504 -1.5497 0.1323 0.1328 0.1445 0.1457 5.8526 5.8526 6.4746 6.4746 6.4923 6.4923 7.5879 7.5889 8.0361 8.0381 8.0513 8.0519 10.2646 10.2650 10.2875 10.2891 10.3016 10.3037 14.4591 14.4593 14.4682 14.4690 14.4858 14.4865 17.0060 17.0130 k = 0.4991 0.5000 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3517 -22.3517 -22.3472 -22.3472 -14.2049 -14.2049 -5.6762 -5.6762 -5.6532 -5.6532 -5.6446 -5.6446 -1.5512 -1.5512 0.1313 0.1313 0.1437 0.1437 5.8511 5.8511 6.4742 6.4742 6.4909 6.4909 7.5890 7.5890 8.0386 8.0386 8.0522 8.0522 10.2668 10.2668 10.2897 10.2897 10.3036 10.3036 14.4605 14.4605 14.4696 14.4696 14.4870 14.4870 17.0085 17.0108 k = 0.4991 0.5000 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3517 -22.3517 -22.3472 -22.3472 -14.2049 -14.2049 -5.6762 -5.6762 -5.6532 -5.6532 -5.6446 -5.6446 -1.5512 -1.5512 0.1313 0.1313 0.1437 0.1437 5.8511 5.8511 6.4742 6.4742 6.4909 6.4909 7.5890 7.5890 8.0386 8.0386 8.0522 8.0522 10.2668 10.2668 10.2897 10.2897 10.3036 10.3036 14.4605 14.4605 14.4696 14.4696 14.4870 14.4870 17.0084 17.0091 k = 0.4902 0.4911 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3516 -22.3516 -22.3471 -22.3471 -14.2050 -14.2050 -5.6768 -5.6768 -5.6540 -5.6540 -5.6451 -5.6451 -1.5500 -1.5500 0.1327 0.1327 0.1452 0.1452 5.8527 5.8527 6.4747 6.4747 6.4924 6.4924 7.5884 7.5884 8.0372 8.0372 8.0513 8.0513 10.2646 10.2646 10.2880 10.2880 10.3028 10.3028 14.4591 14.4591 14.4686 14.4686 14.4860 14.4860 17.0117 17.0121 k = 0.4813 0.4821 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0026 -23.0026 -22.3515 -22.3515 -22.3471 -22.3471 -14.2054 -14.2054 -5.6785 -5.6785 -5.6559 -5.6559 -5.6462 -5.6462 -1.5469 -1.5469 0.1362 0.1362 0.1493 0.1493 5.8569 5.8569 6.4761 6.4761 6.4962 6.4962 7.5865 7.5865 8.0330 8.0330 8.0494 8.0494 10.2589 10.2589 10.2834 10.2834 10.3008 10.3008 14.4553 14.4553 14.4658 14.4658 14.4834 14.4834 17.0195 17.0197 k = 0.4724 0.4732 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0025 -23.0025 -22.3513 -22.3513 -22.3470 -22.3470 -14.2059 -14.2059 -5.6817 -5.6817 -5.6589 -5.6589 -5.6479 -5.6479 -1.5418 -1.5418 0.1414 0.1414 0.1563 0.1563 5.8635 5.8635 6.4783 6.4783 6.5023 6.5023 7.5835 7.5835 8.0256 8.0256 8.0472 8.0472 10.2497 10.2497 10.2761 10.2761 10.2977 10.2977 14.4490 14.4490 14.4614 14.4614 14.4791 14.4791 17.0311 17.0313 k = 0.4634 0.4643 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0024 -23.0024 -22.3511 -22.3511 -22.3469 -22.3469 -14.2066 -14.2066 -5.6868 -5.6868 -5.6625 -5.6625 -5.6500 -5.6500 -1.5349 -1.5349 0.1482 0.1482 0.1665 0.1665 5.8726 5.8726 6.4815 6.4815 6.5108 6.5108 7.5793 7.5793 8.0147 8.0147 8.0448 8.0448 10.2368 10.2368 10.2660 10.2660 10.2936 10.2936 14.4403 14.4403 14.4554 14.4554 14.4732 14.4732 17.0462 17.0462 k = 0.4545 0.4554 0.5021 ( 2784 PWs) bands (ev): -46.2841 -46.2841 -23.0021 -23.0021 -22.3507 -22.3507 -22.3468 -22.3468 -14.2075 -14.2075 -5.6942 -5.6942 -5.6663 -5.6663 -5.6524 -5.6524 -1.5261 -1.5261 0.1563 0.1563 0.1799 0.1799 5.8840 5.8840 6.4858 6.4858 6.5217 6.5217 7.5736 7.5736 8.0008 8.0008 8.0425 8.0425 10.2205 10.2205 10.2534 10.2534 10.2884 10.2884 14.4291 14.4291 14.4479 14.4479 14.4657 14.4657 17.0639 17.0640 k = 0.4456 0.4464 0.5021 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0018 -23.0018 -22.3502 -22.3502 -22.3466 -22.3466 -14.2087 -14.2087 -5.7040 -5.7040 -5.6700 -5.6700 -5.6552 -5.6552 -1.5156 -1.5156 0.1658 0.1658 0.1964 0.1964 5.8975 5.8975 6.4912 6.4912 6.5348 6.5348 7.5663 7.5663 7.9843 7.9843 8.0399 8.0399 10.2007 10.2007 10.2386 10.2386 10.2823 10.2823 14.4154 14.4154 14.4390 14.4390 14.4568 14.4568 17.0838 17.0838 k = 0.4367 0.4375 0.5021 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0015 -23.0015 -22.3498 -22.3498 -22.3464 -22.3464 -14.2100 -14.2100 -5.7163 -5.7163 -5.6736 -5.6736 -5.6584 -5.6584 -1.5034 -1.5034 0.1767 0.1767 0.2159 0.2159 5.9129 5.9129 6.4980 6.4980 6.5502 6.5502 7.5572 7.5572 7.9658 7.9658 8.0371 8.0371 10.1777 10.1777 10.2217 10.2217 10.2751 10.2751 14.3994 14.3994 14.4286 14.4286 14.4463 14.4463 17.1048 17.1048 k = 0.4278 0.4286 0.5021 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0012 -23.0012 -22.3493 -22.3493 -22.3462 -22.3462 -14.2115 -14.2115 -5.7307 -5.7307 -5.6773 -5.6773 -5.6618 -5.6618 -1.4896 -1.4896 0.1890 0.1890 0.2381 0.2381 5.9299 5.9299 6.5063 6.5063 6.5678 6.5678 7.5461 7.5461 7.9459 7.9459 8.0342 8.0342 10.1516 10.1516 10.2031 10.2031 10.2668 10.2668 14.3809 14.3809 14.4169 14.4169 14.4345 14.4345 17.1256 17.1256 k = 0.4189 0.4196 0.5021 ( 2772 PWs) bands (ev): -46.2842 -46.2842 -23.0009 -23.0009 -22.3489 -22.3489 -22.3459 -22.3459 -14.2132 -14.2132 -5.7472 -5.7472 -5.6810 -5.6810 -5.6654 -5.6654 -1.4744 -1.4744 0.2028 0.2028 0.2630 0.2630 5.9483 5.9483 6.5163 6.5163 6.5876 6.5876 7.5326 7.5326 7.9252 7.9252 8.0311 8.0311 10.1226 10.1226 10.1829 10.1829 10.2573 10.2573 14.3602 14.3602 14.4039 14.4039 14.4213 14.4213 17.1448 17.1448 k = 0.4100 0.4107 0.5021 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0005 -23.0005 -22.3483 -22.3483 -22.3456 -22.3456 -14.2151 -14.2151 -5.7655 -5.7655 -5.6849 -5.6849 -5.6692 -5.6692 -1.4577 -1.4577 0.2180 0.2180 0.2903 0.2903 5.9676 5.9676 6.5282 6.5282 6.6095 6.6095 7.5165 7.5165 7.9044 7.9044 8.0279 8.0279 10.0910 10.0910 10.1614 10.1614 10.2467 10.2467 14.3372 14.3372 14.3896 14.3896 14.4068 14.4068 17.1607 17.1607 k = 0.4011 0.4018 0.5021 ( 2760 PWs) bands (ev): -46.2843 -46.2843 -23.0001 -23.0001 -22.3478 -22.3478 -22.3451 -22.3451 -14.2171 -14.2171 -5.7856 -5.7856 -5.6890 -5.6890 -5.6732 -5.6732 -1.4398 -1.4398 0.2345 0.2345 0.3199 0.3199 5.9876 5.9876 6.5425 6.5425 6.6335 6.6335 7.4973 7.4973 7.8842 7.8842 8.0248 8.0248 10.0570 10.0570 10.1389 10.1389 10.2349 10.2349 14.3119 14.3119 14.3743 14.3743 14.3912 14.3912 17.1709 17.1709 k = 0.3921 0.3929 0.5021 ( 2760 PWs) bands (ev): -46.2843 -46.2843 -22.9996 -22.9996 -22.3472 -22.3472 -22.3447 -22.3447 -14.2193 -14.2193 -5.8072 -5.8072 -5.6932 -5.6932 -5.6774 -5.6774 -1.4208 -1.4208 0.2524 0.2524 0.3516 0.3516 6.0077 6.0077 6.5592 6.5592 6.6594 6.6594 7.4750 7.4750 7.8653 7.8653 8.0217 8.0217 10.0209 10.0209 10.1155 10.1155 10.2218 10.2218 14.2845 14.2845 14.3579 14.3579 14.3744 14.3744 17.1731 17.1731 k = 0.3832 0.3839 0.5021 ( 2756 PWs) bands (ev): -46.2843 -46.2843 -22.9991 -22.9991 -22.3467 -22.3467 -22.3440 -22.3440 -14.2217 -14.2217 -5.8302 -5.8302 -5.6975 -5.6975 -5.6816 -5.6816 -1.4007 -1.4007 0.2715 0.2715 0.3853 0.3853 6.0276 6.0276 6.5787 6.5787 6.6872 6.6872 7.4495 7.4495 7.8482 7.8482 8.0188 8.0188 9.9829 9.9829 10.0914 10.0914 10.2075 10.2075 14.2550 14.2550 14.3405 14.3405 14.3566 14.3566 17.1651 17.1651 k = 0.3743 0.3750 0.5021 ( 2748 PWs) bands (ev): -46.2844 -46.2844 -22.9986 -22.9986 -22.3463 -22.3463 -22.3433 -22.3433 -14.2243 -14.2243 -5.8546 -5.8546 -5.7019 -5.7019 -5.6860 -5.6860 -1.3797 -1.3797 0.2919 0.2919 0.4206 0.4206 6.0468 6.0468 6.6013 6.6013 6.7169 6.7169 7.4208 7.4208 7.8334 7.8334 8.0162 8.0162 9.9432 9.9432 10.0668 10.0668 10.1917 10.1917 14.2234 14.2234 14.3222 14.3222 14.3379 14.3379 17.1456 17.1456 k = 0.3654 0.3661 0.5021 ( 2758 PWs) bands (ev): -46.2844 -46.2844 -22.9981 -22.9981 -22.3459 -22.3459 -22.3425 -22.3425 -14.2270 -14.2270 -5.8802 -5.8802 -5.7062 -5.7062 -5.6904 -5.6904 -1.3580 -1.3580 0.3135 0.3135 0.4574 0.4574 6.0652 6.0652 6.6270 6.6270 6.7482 6.7482 7.3894 7.3894 7.8209 7.8209 8.0141 8.0141 9.9021 9.9021 10.0419 10.0419 10.1746 10.1746 14.1898 14.1898 14.3031 14.3031 14.3184 14.3184 17.1146 17.1146 k = 0.3565 0.3571 0.5021 ( 2762 PWs) bands (ev): -46.2844 -46.2844 -22.9976 -22.9976 -22.3456 -22.3456 -22.3416 -22.3416 -14.2298 -14.2298 -5.9069 -5.9069 -5.7105 -5.7105 -5.6949 -5.6949 -1.3356 -1.3356 0.3361 0.3361 0.4954 0.4954 6.0823 6.0823 6.6559 6.6559 6.7812 6.7812 7.3556 7.3556 7.8110 7.8110 8.0126 8.0126 9.8600 9.8600 10.0167 10.0167 10.1561 10.1561 14.1541 14.1541 14.2833 14.2833 14.2983 14.2983 17.0728 17.0728 k = 0.3476 0.3482 0.5021 ( 2762 PWs) bands (ev): -46.2845 -46.2845 -22.9970 -22.9970 -22.3452 -22.3452 -22.3406 -22.3406 -14.2328 -14.2328 -5.9346 -5.9346 -5.7148 -5.7148 -5.6993 -5.6993 -1.3127 -1.3127 0.3599 0.3599 0.5344 0.5344 6.0979 6.0979 6.6880 6.6880 6.8156 6.8156 7.3202 7.3202 7.8035 7.8035 8.0119 8.0119 9.8171 9.8171 9.9913 9.9913 10.1360 10.1360 14.1165 14.1165 14.2629 14.2629 14.2776 14.2776 17.0218 17.0218 k = 0.3387 0.3393 0.5021 ( 2758 PWs) bands (ev): -46.2845 -46.2845 -22.9963 -22.9963 -22.3448 -22.3448 -22.3396 -22.3396 -14.2359 -14.2359 -5.9631 -5.9631 -5.7189 -5.7189 -5.7037 -5.7037 -1.2893 -1.2893 0.3845 0.3845 0.5741 0.5741 6.1121 6.1121 6.7230 6.7230 6.8514 6.8514 7.2839 7.2839 7.7982 7.7982 8.0122 8.0122 9.7737 9.7737 9.9658 9.9658 10.1145 10.1145 14.0770 14.0770 14.2420 14.2420 14.2565 14.2565 16.9629 16.9629 k = 0.3298 0.3304 0.5021 ( 2754 PWs) bands (ev): -46.2846 -46.2846 -22.9957 -22.9957 -22.3445 -22.3445 -22.3384 -22.3384 -14.2392 -14.2392 -5.9924 -5.9924 -5.7229 -5.7229 -5.7080 -5.7080 -1.2657 -1.2657 0.4101 0.4101 0.6142 0.6142 6.1248 6.1248 6.7608 6.7608 6.8885 6.8885 7.2473 7.2473 7.7951 7.7951 8.0138 8.0138 9.7301 9.7301 9.9402 9.9402 10.0914 10.0914 14.0356 14.0356 14.2206 14.2206 14.2351 14.2351 16.8975 16.8975 k = 0.3208 0.3214 0.5021 ( 2762 PWs) bands (ev): -46.2846 -46.2846 -22.9951 -22.9951 -22.3441 -22.3441 -22.3373 -22.3373 -14.2425 -14.2425 -6.0223 -6.0223 -5.7270 -5.7270 -5.7119 -5.7119 -1.2419 -1.2419 0.4365 0.4365 0.6545 0.6545 6.1360 6.1360 6.8009 6.8009 6.9265 6.9265 7.2112 7.2112 7.7939 7.7939 8.0169 8.0169 9.6865 9.6865 9.9145 9.9145 10.0666 10.0666 13.9923 13.9923 14.1989 14.1989 14.2135 14.2135 16.8266 16.8266 k = 0.3119 0.3125 0.5021 ( 2770 PWs) bands (ev): -46.2847 -46.2847 -22.9944 -22.9944 -22.3438 -22.3438 -22.3362 -22.3362 -14.2460 -14.2460 -6.0528 -6.0528 -5.7311 -5.7311 -5.7155 -5.7155 -1.2179 -1.2179 0.4636 0.4636 0.6947 0.6947 6.1459 6.1459 6.8428 6.8428 6.9655 6.9655 7.1764 7.1764 7.7943 7.7943 8.0220 8.0220 9.6433 9.6433 9.8887 9.8887 10.0403 10.0403 13.9473 13.9473 14.1769 14.1769 14.1919 14.1919 16.7511 16.7511 k = 0.3030 0.3036 0.5021 ( 2766 PWs) bands (ev): -46.2847 -46.2847 -22.9937 -22.9937 -22.3435 -22.3435 -22.3349 -22.3349 -14.2495 -14.2495 -6.0837 -6.0837 -5.7353 -5.7353 -5.7184 -5.7184 -1.1940 -1.1940 0.4914 0.4914 0.7344 0.7344 6.1546 6.1546 6.8859 6.8859 7.0052 7.0052 7.1435 7.1435 7.7963 7.7963 8.0295 8.0295 9.6008 9.6008 9.8628 9.8628 10.0123 10.0123 13.9005 13.9005 14.1549 14.1549 14.1703 14.1703 16.6718 16.6718 k = 0.2941 0.2946 0.5021 ( 2762 PWs) bands (ev): -46.2848 -46.2848 -22.9930 -22.9930 -22.3431 -22.3431 -22.3336 -22.3336 -14.2531 -14.2531 -6.1149 -6.1149 -5.7398 -5.7398 -5.7207 -5.7207 -1.1702 -1.1702 0.5198 0.5198 0.7735 0.7735 6.1623 6.1623 6.9294 6.9294 7.0453 7.0453 7.1134 7.1134 7.7995 7.7995 8.0398 8.0398 9.5593 9.5593 9.8368 9.8368 9.9826 9.9826 13.8520 13.8520 14.1329 14.1329 14.1489 14.1489 16.5892 16.5892 k = 0.2852 0.2857 0.5021 ( 2766 PWs) bands (ev): -46.2848 -46.2848 -22.9923 -22.9923 -22.3427 -22.3427 -22.3324 -22.3324 -14.2568 -14.2568 -6.1463 -6.1463 -5.7446 -5.7446 -5.7222 -5.7222 -1.1467 -1.1467 0.5486 0.5486 0.8116 0.8116 6.1691 6.1691 6.9720 6.9720 7.0855 7.0855 7.0875 7.0875 7.8037 7.8037 8.0534 8.0534 9.5190 9.5190 9.8106 9.8106 9.9512 9.9512 13.8019 13.8019 14.1110 14.1110 14.1278 14.1278 16.5038 16.5038 k = 0.2763 0.2768 0.5021 ( 2754 PWs) bands (ev): -46.2849 -46.2849 -22.9916 -22.9916 -22.3423 -22.3423 -22.3310 -22.3310 -14.2605 -14.2605 -6.1778 -6.1778 -5.7495 -5.7495 -5.7229 -5.7229 -1.1234 -1.1234 0.5777 0.5777 0.8485 0.8485 6.1753 6.1753 7.0097 7.0097 7.0693 7.0693 7.1261 7.1261 7.8088 7.8088 8.0709 8.0709 9.4804 9.4804 9.7843 9.7843 9.9182 9.9182 13.7502 13.7502 14.0894 14.0894 14.1069 14.1069 16.4160 16.4160 k = 0.2674 0.2679 0.5021 ( 2754 PWs) bands (ev): -46.2849 -46.2849 -22.9908 -22.9908 -22.3419 -22.3419 -22.3297 -22.3297 -14.2643 -14.2643 -6.2093 -6.2093 -5.7546 -5.7546 -5.7229 -5.7229 -1.1005 -1.1005 0.6072 0.6072 0.8839 0.8839 6.1809 6.1809 7.0236 7.0236 7.0780 7.0780 7.1663 7.1663 7.8144 7.8144 8.0927 8.0927 9.4436 9.4436 9.7576 9.7576 9.8835 9.8835 13.6970 13.6970 14.0682 14.0682 14.0865 14.0865 16.3263 16.3263 k = 0.2585 0.2589 0.5021 ( 2760 PWs) bands (ev): -46.2850 -46.2850 -22.9901 -22.9901 -22.3416 -22.3416 -22.3284 -22.3284 -14.2682 -14.2682 -6.2407 -6.2407 -5.7598 -5.7598 -5.7222 -5.7222 -1.0782 -1.0782 0.6368 0.6368 0.9176 0.9176 6.1860 6.1860 7.0149 7.0149 7.1123 7.1123 7.2060 7.2060 7.8204 7.8204 8.1193 8.1193 9.4091 9.4091 9.7306 9.7306 9.8471 9.8471 13.6424 13.6424 14.0474 14.0474 14.0665 14.0665 16.2349 16.2349 k = 0.2495 0.2500 0.5021 ( 2760 PWs) bands (ev): -46.2850 -46.2850 -22.9894 -22.9894 -22.3412 -22.3412 -22.3271 -22.3271 -14.2720 -14.2720 -6.2719 -6.2719 -5.7651 -5.7651 -5.7208 -5.7208 -1.0563 -1.0563 0.6665 0.6665 0.9495 0.9495 6.1908 6.1908 7.0055 7.0055 7.1500 7.1500 7.2449 7.2449 7.8267 7.8267 8.1510 8.1510 9.3772 9.3772 9.7032 9.7032 9.8090 9.8090 13.5865 13.5865 14.0273 14.0273 14.0471 14.0471 16.1422 16.1422 k = 0.2406 0.2411 0.5021 ( 2758 PWs) bands (ev): -46.2851 -46.2851 -22.9887 -22.9887 -22.3408 -22.3408 -22.3257 -22.3257 -14.2759 -14.2759 -6.3029 -6.3029 -5.7704 -5.7704 -5.7187 -5.7187 -1.0352 -1.0352 0.6963 0.6963 0.9793 0.9793 6.1955 6.1955 6.9999 6.9999 7.1867 7.1867 7.2826 7.2826 7.8332 7.8332 8.1879 8.1879 9.3481 9.3481 9.6753 9.6753 9.7694 9.7694 13.5293 13.5293 14.0079 14.0079 14.0283 14.0283 16.0485 16.0485 k = 0.2317 0.2321 0.5021 ( 2762 PWs) bands (ev): -46.2851 -46.2851 -22.9880 -22.9880 -22.3405 -22.3405 -22.3244 -22.3244 -14.2797 -14.2797 -6.3334 -6.3334 -5.7757 -5.7757 -5.7160 -5.7160 -1.0147 -1.0147 0.7258 0.7258 1.0069 1.0069 6.2000 6.2000 6.9991 6.9991 7.2214 7.2214 7.3190 7.3190 7.8401 7.8401 8.2299 8.2299 9.3222 9.3222 9.6468 9.6468 9.7283 9.7283 13.4711 13.4711 13.9893 13.9893 14.0102 14.0102 15.9540 15.9540 k = 0.2228 0.2232 0.5021 ( 2756 PWs) bands (ev): -46.2852 -46.2852 -22.9872 -22.9872 -22.3401 -22.3401 -22.3231 -22.3231 -14.2836 -14.2836 -6.3635 -6.3635 -5.7810 -5.7810 -5.7127 -5.7127 -0.9950 -0.9950 0.7552 0.7552 1.0323 1.0323 6.2045 6.2045 7.0035 7.0035 7.2537 7.2537 7.3537 7.3537 7.8472 7.8472 8.2768 8.2768 9.2998 9.2998 9.6176 9.6176 9.6858 9.6858 13.4118 13.4118 13.9715 13.9715 13.9928 13.9928 15.8592 15.8592 k = 0.2139 0.2143 0.5021 ( 2756 PWs) bands (ev): -46.2852 -46.2852 -22.9865 -22.9865 -22.3397 -22.3397 -22.3218 -22.3218 -14.2874 -14.2874 -6.3931 -6.3931 -5.7862 -5.7862 -5.7089 -5.7089 -0.9761 -0.9761 0.7842 0.7842 1.0553 1.0553 6.2091 6.2091 7.0133 7.0133 7.2835 7.2835 7.3863 7.3863 7.8548 7.8548 8.3284 8.3284 9.2811 9.2811 9.5874 9.5874 9.6420 9.6420 13.3517 13.3517 13.9546 13.9546 13.9763 13.9763 15.7642 15.7642 k = 0.2050 0.2054 0.5021 ( 2760 PWs) bands (ev): -46.2853 -46.2853 -22.9858 -22.9858 -22.3394 -22.3394 -22.3205 -22.3205 -14.2912 -14.2912 -6.4220 -6.4220 -5.7914 -5.7914 -5.7045 -5.7045 -0.9581 -0.9581 0.8128 0.8128 1.0761 1.0761 6.2136 6.2136 7.0287 7.0287 7.3109 7.3109 7.4167 7.4167 7.8629 7.8629 8.3842 8.3842 9.2663 9.2663 9.5561 9.5561 9.5973 9.5973 13.2908 13.2908 13.9387 13.9387 13.9607 13.9607 15.6693 15.6693 k = 0.1961 0.1964 0.5021 ( 2764 PWs) bands (ev): -46.2853 -46.2853 -22.9852 -22.9852 -22.3391 -22.3391 -22.3192 -22.3192 -14.2949 -14.2949 -6.4503 -6.4503 -5.7964 -5.7964 -5.6996 -5.6996 -0.9411 -0.9411 0.8408 0.8408 1.0945 1.0945 6.2183 6.2183 7.0496 7.0496 7.3359 7.3359 7.4445 7.4445 7.8717 7.8717 8.4436 8.4436 9.2557 9.2557 9.5230 9.5230 9.5524 9.5524 13.2294 13.2294 13.9238 13.9238 13.9459 13.9459 15.5748 15.5748 k = 0.1872 0.1875 0.5021 ( 2756 PWs) bands (ev): -46.2854 -46.2854 -22.9845 -22.9845 -22.3387 -22.3387 -22.3179 -22.3179 -14.2986 -14.2986 -6.4778 -6.4778 -5.8014 -5.8014 -5.6942 -5.6942 -0.9250 -0.9250 0.8681 0.8681 1.1108 1.1108 6.2232 6.2232 7.0759 7.0759 7.3588 7.3588 7.4697 7.4697 7.8813 7.8813 8.5062 8.5062 9.2492 9.2492 9.4861 9.4861 9.5090 9.5090 13.1676 13.1676 13.9098 13.9098 13.9322 13.9322 15.4810 15.4810 k = 0.1782 0.1786 0.5021 ( 2752 PWs) bands (ev): -46.2854 -46.2854 -22.9838 -22.9838 -22.3383 -22.3383 -22.3166 -22.3166 -14.3022 -14.3022 -6.5045 -6.5045 -5.8062 -5.8062 -5.6885 -5.6885 -0.9099 -0.9099 0.8946 0.8946 1.1250 1.1250 6.2281 6.2281 7.1075 7.1075 7.3798 7.3798 7.4920 7.4920 7.8918 7.8918 8.5713 8.5713 9.2471 9.2471 9.4433 9.4433 9.4695 9.4695 13.1056 13.1056 13.8969 13.8969 13.9194 13.9194 15.3882 15.3882 k = 0.1693 0.1696 0.5021 ( 2752 PWs) bands (ev): -46.2855 -46.2855 -22.9832 -22.9832 -22.3380 -22.3380 -22.3154 -22.3154 -14.3057 -14.3057 -6.5302 -6.5302 -5.8109 -5.8109 -5.6825 -5.6825 -0.8959 -0.8959 0.9202 0.9202 1.1372 1.1372 6.2332 6.2332 7.1443 7.1443 7.3989 7.3989 7.5113 7.5113 7.9033 7.9033 8.6383 8.6383 9.2492 9.2492 9.3960 9.3960 9.4325 9.4325 13.0435 13.0435 13.8850 13.8850 13.9077 13.9077 15.2967 15.2967 k = 0.1604 0.1607 0.5021 ( 2752 PWs) bands (ev): -46.2855 -46.2855 -22.9825 -22.9825 -22.3377 -22.3377 -22.3143 -22.3143 -14.3091 -14.3091 -6.5551 -6.5551 -5.8154 -5.8154 -5.6761 -5.6761 -0.8829 -0.8829 0.9447 0.9447 1.1477 1.1477 6.2385 6.2385 7.1860 7.1860 7.4164 7.4164 7.5278 7.5278 7.9159 7.9159 8.7067 8.7067 9.2552 9.2552 9.3464 9.3464 9.3959 9.3959 12.9817 12.9817 13.8740 13.8740 13.8969 13.8969 15.2068 15.2068 k = 0.1515 0.1518 0.5021 ( 2752 PWs) bands (ev): -46.2856 -46.2856 -22.9820 -22.9820 -22.3374 -22.3374 -22.3131 -22.3131 -14.3124 -14.3124 -6.5789 -6.5789 -5.8198 -5.8198 -5.6696 -5.6696 -0.8709 -0.8709 0.9679 0.9679 1.1568 1.1568 6.2438 6.2438 7.2322 7.2322 7.4325 7.4325 7.5413 7.5413 7.9297 7.9297 8.7759 8.7759 9.2650 9.2650 9.2957 9.2957 9.3586 9.3586 12.9203 12.9203 13.8641 13.8641 13.8872 13.8872 15.1187 15.1187 k = 0.1426 0.1429 0.5021 ( 2754 PWs) bands (ev): -46.2856 -46.2856 -22.9814 -22.9814 -22.3371 -22.3371 -22.3121 -22.3121 -14.3155 -14.3155 -6.6016 -6.6016 -5.8239 -5.8239 -5.6629 -5.6629 -0.8600 -0.8600 0.9898 0.9898 1.1646 1.1646 6.2492 6.2492 7.2828 7.2828 7.4474 7.4474 7.5522 7.5522 7.9448 7.9448 8.8453 8.8453 9.2440 9.2440 9.2781 9.2781 9.3206 9.3206 12.8596 12.8596 13.8551 13.8551 13.8785 13.8785 15.0329 15.0329 k = 0.1337 0.1339 0.5021 ( 2758 PWs) bands (ev): -46.2857 -46.2857 -22.9809 -22.9809 -22.3368 -22.3368 -22.3110 -22.3110 -14.3186 -14.3186 -6.6232 -6.6232 -5.8279 -5.8279 -5.6561 -5.6561 -0.8501 -0.8501 1.0101 1.0101 1.1715 1.1715 6.2547 6.2547 7.3372 7.3372 7.4611 7.4611 7.5605 7.5605 7.9612 7.9612 8.9144 8.9144 9.1921 9.1921 9.2769 9.2769 9.2985 9.2985 12.7998 12.7998 13.8471 13.8471 13.8707 13.8707 14.9496 14.9496 k = 0.1248 0.1250 0.5021 ( 2758 PWs) bands (ev): -46.2857 -46.2857 -22.9803 -22.9803 -22.3365 -22.3365 -22.3101 -22.3101 -14.3215 -14.3215 -6.6436 -6.6436 -5.8317 -5.8317 -5.6493 -5.6493 -0.8413 -0.8413 1.0285 1.0285 1.1777 1.1777 6.2602 6.2602 7.3948 7.3948 7.4740 7.4740 7.5665 7.5665 7.9791 7.9791 8.9826 8.9826 9.1400 9.1400 9.2375 9.2375 9.3158 9.3158 12.7412 12.7412 13.8400 13.8400 13.8638 13.8638 14.8693 14.8693 k = 0.1159 0.1161 0.5021 ( 2758 PWs) bands (ev): -46.2857 -46.2857 -22.9799 -22.9799 -22.3363 -22.3363 -22.3091 -22.3091 -14.3242 -14.3242 -6.6629 -6.6629 -5.8352 -5.8352 -5.6426 -5.6426 -0.8334 -0.8334 1.0450 1.0450 1.1837 1.1837 6.2656 6.2656 7.4541 7.4541 7.4874 7.4874 7.5705 7.5705 7.9983 7.9983 9.0484 9.0484 9.0888 9.0888 9.1951 9.1951 9.3370 9.3370 12.6842 12.6842 13.8338 13.8338 13.8579 13.8579 14.7922 14.7922 k = 0.1069 0.1071 0.5021 ( 2766 PWs) bands (ev): -46.2858 -46.2858 -22.9794 -22.9794 -22.3360 -22.3360 -22.3083 -22.3083 -14.3268 -14.3268 -6.6808 -6.6808 -5.8386 -5.8386 -5.6361 -5.6361 -0.8264 -0.8264 1.0594 1.0594 1.1896 1.1896 6.2710 6.2710 7.4912 7.4912 7.5246 7.5246 7.5729 7.5729 8.0190 8.0190 9.0344 9.0344 9.1145 9.1145 9.1519 9.1519 9.3600 9.3600 12.6291 12.6291 13.8284 13.8284 13.8527 13.8527 14.7187 14.7187 k = 0.0980 0.0982 0.5021 ( 2760 PWs) bands (ev): -46.2858 -46.2858 -22.9790 -22.9790 -22.3358 -22.3358 -22.3074 -22.3074 -14.3292 -14.3292 -6.6975 -6.6975 -5.8417 -5.8417 -5.6297 -5.6297 -0.8203 -0.8203 1.0714 1.0714 1.1958 1.1958 6.2761 6.2761 7.5028 7.5028 7.5735 7.5735 7.5890 7.5890 8.0412 8.0412 8.9830 8.9830 9.1035 9.1035 9.1791 9.1791 9.3841 9.3841 12.5761 12.5761 13.8238 13.8238 13.8484 13.8484 14.6492 14.6492 k = 0.0891 0.0893 0.5021 ( 2762 PWs) bands (ev): -46.2858 -46.2858 -22.9786 -22.9786 -22.3356 -22.3356 -22.3067 -22.3067 -14.3314 -14.3314 -6.7128 -6.7128 -5.8445 -5.8445 -5.6236 -5.6236 -0.8151 -0.8151 1.0811 1.0811 1.2024 1.2024 6.2811 6.2811 7.5119 7.5119 7.5734 7.5734 7.6563 7.6563 8.0647 8.0647 8.9317 8.9317 9.0563 9.0563 9.2383 9.2383 9.4086 9.4086 12.5258 12.5258 13.8200 13.8200 13.8447 13.8447 14.5840 14.5840 k = 0.0802 0.0804 0.5021 ( 2758 PWs) bands (ev): -46.2859 -46.2859 -22.9782 -22.9782 -22.3354 -22.3354 -22.3060 -22.3060 -14.3335 -14.3335 -6.7268 -6.7268 -5.8471 -5.8471 -5.6179 -5.6179 -0.8106 -0.8106 1.0887 1.0887 1.2092 1.2092 6.2859 6.2859 7.5198 7.5198 7.5723 7.5723 7.7253 7.7253 8.0897 8.0897 8.8812 8.8812 9.0073 9.0073 9.2943 9.2943 9.4331 9.4331 12.4784 12.4784 13.8168 13.8168 13.8416 13.8416 14.5236 14.5236 k = 0.0713 0.0714 0.5021 ( 2760 PWs) bands (ev): -46.2859 -46.2859 -22.9779 -22.9779 -22.3352 -22.3352 -22.3053 -22.3053 -14.3353 -14.3353 -6.7394 -6.7394 -5.8495 -5.8495 -5.6125 -5.6125 -0.8068 -0.8068 1.0944 1.0944 1.2163 1.2163 6.2903 6.2903 7.5268 7.5268 7.5707 7.5707 7.7950 7.7950 8.1159 8.1159 8.8315 8.8315 8.9569 8.9569 9.3462 9.3462 9.4570 9.4570 12.4344 12.4344 13.8141 13.8141 13.8391 13.8391 14.4684 14.4684 k = 0.0624 0.0625 0.5021 ( 2764 PWs) bands (ev): -46.2859 -46.2859 -22.9776 -22.9776 -22.3351 -22.3351 -22.3048 -22.3048 -14.3369 -14.3369 -6.7505 -6.7505 -5.8516 -5.8516 -5.6077 -5.6077 -0.8036 -0.8036 1.0985 1.0985 1.2232 1.2232 6.2943 6.2943 7.5328 7.5328 7.5688 7.5688 7.8648 7.8648 8.1431 8.1431 8.7831 8.7831 8.9053 8.9053 9.3934 9.3934 9.4798 9.4798 12.3942 12.3942 13.8120 13.8120 13.8371 13.8371 14.4185 14.4185 k = 0.0535 0.0536 0.5021 ( 2766 PWs) bands (ev): -46.2859 -46.2859 -22.9774 -22.9774 -22.3350 -22.3350 -22.3043 -22.3043 -14.3384 -14.3384 -6.7603 -6.7603 -5.8534 -5.8534 -5.6033 -5.6033 -0.8010 -0.8010 1.1013 1.1013 1.2298 1.2298 6.2979 6.2979 7.5380 7.5380 7.5667 7.5667 7.9339 7.9339 8.1713 8.1713 8.7362 8.7362 8.8529 8.8529 9.4352 9.4352 9.5012 9.5012 12.3582 12.3582 13.8104 13.8104 13.8355 13.8355 14.3746 14.3746 k = 0.0446 0.0446 0.5021 ( 2762 PWs) bands (ev): -46.2859 -46.2859 -22.9771 -22.9771 -22.3348 -22.3348 -22.3039 -22.3039 -14.3396 -14.3396 -6.7685 -6.7685 -5.8549 -5.8549 -5.5996 -5.5996 -0.7989 -0.7989 1.1032 1.1032 1.2358 1.2358 6.3011 6.3011 7.5422 7.5422 7.5648 7.5648 8.0014 8.0014 8.1998 8.1998 8.6913 8.6913 8.8006 8.8006 9.4707 9.4707 9.5211 9.5211 12.3269 12.3269 13.8092 13.8092 13.8343 13.8343 14.3368 14.3368 k = 0.0356 0.0357 0.5021 ( 2762 PWs) bands (ev): -46.2859 -46.2859 -22.9770 -22.9770 -22.3347 -22.3347 -22.3036 -22.3036 -14.3406 -14.3406 -6.7753 -6.7753 -5.8562 -5.8562 -5.5965 -5.5965 -0.7973 -0.7973 1.1044 1.1044 1.2410 1.2410 6.3037 6.3037 7.5455 7.5455 7.5632 7.5632 8.0658 8.0658 8.2281 8.2281 8.6491 8.6491 8.7495 8.7495 9.4993 9.4993 9.5391 9.5391 12.3007 12.3007 13.8082 13.8082 13.8334 13.8334 14.3054 14.3054 k = 0.0267 0.0268 0.5021 ( 2758 PWs) bands (ev): -46.2860 -46.2860 -22.9768 -22.9768 -22.3346 -22.3346 -22.3033 -22.3033 -14.3414 -14.3414 -6.7806 -6.7806 -5.8572 -5.8572 -5.5940 -5.5940 -0.7961 -0.7961 1.1052 1.1052 1.2452 1.2452 6.3058 6.3058 7.5479 7.5479 7.5621 7.5621 8.1250 8.1250 8.2549 8.2549 8.6106 8.6106 8.7016 8.7016 9.5205 9.5205 9.5551 9.5551 12.2798 12.2798 13.8076 13.8076 13.8327 13.8327 14.2807 14.2807 k = 0.0178 0.0179 0.5021 ( 2758 PWs) bands (ev): -46.2860 -46.2860 -22.9767 -22.9767 -22.3346 -22.3346 -22.3031 -22.3031 -14.3419 -14.3419 -6.7844 -6.7844 -5.8579 -5.8579 -5.5922 -5.5922 -0.7953 -0.7953 1.1056 1.1056 1.2483 1.2483 6.3073 6.3073 7.5493 7.5493 7.5614 7.5614 8.1754 8.1754 8.2784 8.2784 8.5776 8.5776 8.6605 8.6605 9.5346 9.5346 9.5681 9.5681 12.2647 12.2647 13.8071 13.8071 13.8323 13.8323 14.2629 14.2629 k = 0.0089 0.0089 0.5021 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9767 -22.9767 -22.3346 -22.3346 -22.3030 -22.3030 -14.3423 -14.3423 -6.7866 -6.7866 -5.8583 -5.8583 -5.5911 -5.5911 -0.7948 -0.7948 1.1058 1.1058 1.2502 1.2502 6.3083 6.3083 7.5500 7.5500 7.5612 7.5612 8.2109 8.2109 8.2953 8.2953 8.5538 8.5538 8.6318 8.6318 9.5425 9.5425 9.5765 9.5765 12.2555 12.2555 13.8069 13.8069 13.8320 13.8320 14.2522 14.2522 k = 0.0000 0.0000 0.5021 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9766 -22.9766 -22.3345 -22.3345 -22.3029 -22.3029 -14.3424 -14.3424 -6.7874 -6.7874 -5.8585 -5.8585 -5.5907 -5.5907 -0.7946 -0.7946 1.1059 1.1059 1.2508 1.2508 6.3086 6.3086 7.5502 7.5502 7.5611 7.5611 8.2240 8.2240 8.3017 8.3017 8.5448 8.5448 8.6213 8.6213 9.5451 9.5451 9.5794 9.5794 12.2524 12.2524 13.8068 13.8068 13.8319 13.8319 14.2486 14.2486 k = 0.0000 0.0000 0.5021 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9766 -22.9766 -22.3345 -22.3345 -22.3029 -22.3029 -14.3424 -14.3424 -6.7874 -6.7874 -5.8585 -5.8585 -5.5907 -5.5907 -0.7946 -0.7946 1.1059 1.1059 1.2508 1.2508 6.3086 6.3086 7.5502 7.5502 7.5611 7.5611 8.2240 8.2240 8.3017 8.3017 8.5448 8.5448 8.6213 8.6213 9.5451 9.5451 9.5794 9.5794 12.2524 12.2524 13.8068 13.8068 13.8319 13.8319 14.2486 14.2486 k = 0.0000 0.0000 0.4896 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9766 -22.9766 -22.3345 -22.3345 -22.3029 -22.3029 -14.3426 -14.3426 -6.7869 -6.7868 -5.8585 -5.8585 -5.5915 -5.5915 -0.7954 -0.7945 1.1055 1.1056 1.2495 1.2511 6.3110 6.3112 7.5505 7.5516 7.5621 7.5623 8.2227 8.2281 8.3021 8.3034 8.5442 8.5471 8.6215 8.6224 9.5456 9.5459 9.5802 9.5802 12.2522 12.2523 13.8045 13.8045 13.8294 13.8299 14.2484 14.2488 k = 0.0000 0.0000 0.4770 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9766 -22.9765 -22.3344 -22.3343 -22.3029 -22.3029 -14.3432 -14.3431 -6.7853 -6.7852 -5.8587 -5.8587 -5.5938 -5.5937 -0.7968 -0.7949 1.1046 1.1046 1.2471 1.2503 6.3184 6.3189 7.5525 7.5547 7.5651 7.5656 8.2243 8.2349 8.3043 8.3069 8.5454 8.5512 8.6231 8.6250 9.5472 9.5480 9.5823 9.5824 12.2515 12.2517 13.7976 13.7977 13.8222 13.8233 14.2483 14.2492 k = 0.0000 0.0000 0.4645 ( 2758 PWs) bands (ev): -46.2860 -46.2860 -22.9764 -22.9764 -22.3341 -22.3340 -22.3029 -22.3029 -14.3441 -14.3441 -6.7827 -6.7826 -5.8590 -5.8590 -5.5976 -5.5974 -0.7987 -0.7960 1.1029 1.1031 1.2437 1.2485 6.3308 6.3315 7.5562 7.5594 7.5703 7.5709 8.2286 8.2444 8.3086 8.3124 8.5485 8.5570 8.6261 8.6290 9.5502 9.5514 9.5859 9.5860 12.2505 12.2507 13.7862 13.7864 13.8105 13.8121 14.2483 14.2496 k = 0.0000 0.0000 0.4519 ( 2754 PWs) bands (ev): -46.2860 -46.2860 -22.9762 -22.9762 -22.3337 -22.3337 -22.3029 -22.3029 -14.3454 -14.3454 -6.7790 -6.7789 -5.8593 -5.8593 -5.6028 -5.6025 -0.8013 -0.7976 1.1007 1.1009 1.2394 1.2457 6.3481 6.3490 7.5615 7.5657 7.5775 7.5783 8.2356 8.2564 8.3149 8.3199 8.5534 8.5644 8.6305 8.6345 9.5543 9.5560 9.5909 9.5910 12.2490 12.2493 13.7703 13.7706 13.7944 13.7964 14.2484 14.2500 k = 0.0000 0.0000 0.4394 ( 2770 PWs) bands (ev): -46.2860 -46.2860 -22.9761 -22.9761 -22.3334 -22.3333 -22.3030 -22.3030 -14.3471 -14.3470 -6.7744 -6.7742 -5.8598 -5.8598 -5.6093 -5.6090 -0.8044 -0.7999 1.0979 1.0981 1.2340 1.2419 6.3702 6.3714 7.5685 7.5736 7.5867 7.5876 8.2451 8.2706 8.3234 8.3293 8.5602 8.5735 8.6365 8.6417 9.5597 9.5618 9.5973 9.5974 12.2472 12.2476 13.7501 13.7504 13.7739 13.7763 14.2485 14.2504 k = 0.0000 0.0000 0.4268 ( 2772 PWs) bands (ev): -46.2860 -46.2860 -22.9758 -22.9758 -22.3328 -22.3327 -22.3031 -22.3031 -14.3491 -14.3490 -6.7688 -6.7686 -5.8604 -5.8604 -5.6172 -5.6168 -0.8080 -0.8027 1.0944 1.0947 1.2278 1.2371 6.3970 6.3985 7.5769 7.5829 7.5978 7.5989 8.2571 8.2866 8.3343 8.3406 8.5691 8.5841 8.6441 8.6508 9.5663 9.5689 9.6051 9.6052 12.2450 12.2454 13.7256 13.7259 13.7492 13.7519 14.2487 14.2509 k = 0.0000 0.0000 0.4142 ( 2774 PWs) bands (ev): -46.2861 -46.2861 -22.9756 -22.9755 -22.3322 -22.3321 -22.3031 -22.3031 -14.3514 -14.3514 -6.7623 -6.7620 -5.8611 -5.8611 -5.6263 -5.6258 -0.8122 -0.8061 1.0904 1.0908 1.2207 1.2313 6.4283 6.4301 7.5868 7.5935 7.6108 7.6119 8.2714 8.3039 8.3480 8.3539 8.5799 8.5963 8.6534 8.6620 9.5740 9.5772 9.6142 9.6144 12.2424 12.2429 13.6969 13.6973 13.7203 13.7233 14.2489 14.2513 k = 0.0000 0.0000 0.4017 ( 2772 PWs) bands (ev): -46.2861 -46.2861 -22.9752 -22.9751 -22.3314 -22.3313 -22.3032 -22.3032 -14.3541 -14.3540 -6.7550 -6.7546 -5.8618 -5.8618 -5.6366 -5.6360 -0.8169 -0.8100 1.0859 1.0863 1.2127 1.2247 6.4640 6.4661 7.5980 7.6054 7.6256 7.6267 8.2878 8.3218 8.3647 8.3691 8.5929 8.6098 8.6648 8.6755 9.5829 9.5867 9.6247 9.6249 12.2395 12.2401 13.6643 13.6647 13.6874 13.6907 14.2491 14.2517 k = 0.0000 0.0000 0.3891 ( 2770 PWs) bands (ev): -46.2861 -46.2861 -22.9748 -22.9747 -22.3306 -22.3305 -22.3032 -22.3032 -14.3570 -14.3570 -6.7469 -6.7465 -5.8627 -5.8627 -5.6479 -5.6472 -0.8221 -0.8145 1.0809 1.0813 1.2039 1.2171 6.5039 6.5064 7.6104 7.6184 7.6419 7.6431 8.3061 8.3399 8.3845 8.3862 8.6080 8.6245 8.6785 8.6917 9.5929 9.5973 9.6364 9.6367 12.2362 12.2369 13.6278 13.6283 13.6508 13.6542 14.2494 14.2520 k = 0.0000 0.0000 0.3766 ( 2774 PWs) bands (ev): -46.2861 -46.2861 -22.9744 -22.9743 -22.3297 -22.3296 -22.3033 -22.3033 -14.3603 -14.3602 -6.7381 -6.7377 -5.8636 -5.8636 -5.6600 -5.6593 -0.8278 -0.8194 1.0754 1.0759 1.1944 1.2088 6.5478 6.5505 7.6239 7.6324 7.6597 7.6608 8.3260 8.3583 8.4052 8.4071 8.6251 8.6404 8.6949 8.7109 9.6040 9.6091 9.6494 9.6498 12.2327 12.2335 13.5877 13.5882 13.6104 13.6141 14.2496 14.2523 k = 0.0000 0.0000 0.3640 ( 2774 PWs) bands (ev): -46.2862 -46.2862 -22.9739 -22.9738 -22.3287 -22.3286 -22.3033 -22.3033 -14.3638 -14.3637 -6.7287 -6.7282 -5.8647 -5.8647 -5.6730 -5.6722 -0.8338 -0.8248 1.0695 1.0701 1.1843 1.1996 6.5953 6.5984 7.6383 7.6472 7.6788 7.6799 8.3475 8.3771 8.4260 8.4318 8.6441 8.6574 8.7146 8.7332 9.6161 9.6221 9.6636 9.6641 12.2290 12.2298 13.5441 13.5446 13.5667 13.5704 14.2498 14.2525 k = 0.0000 0.0000 0.3515 ( 2766 PWs) bands (ev): -46.2862 -46.2862 -22.9734 -22.9733 -22.3276 -22.3275 -22.3034 -22.3034 -14.3675 -14.3674 -6.7188 -6.7182 -5.8657 -5.8657 -5.6866 -5.6858 -0.8403 -0.8307 1.0632 1.0639 1.1736 1.1898 6.6462 6.6498 7.6535 7.6628 7.6989 7.7001 8.3704 8.3967 8.4484 8.4580 8.6647 8.6755 8.7380 8.7591 9.6292 9.6361 9.6790 9.6795 12.2250 12.2259 13.4972 13.4978 13.5196 13.5234 14.2500 14.2527 k = 0.0000 0.0000 0.3389 ( 2766 PWs) bands (ev): -46.2862 -46.2862 -22.9729 -22.9728 -22.3265 -22.3264 -22.3035 -22.3034 -14.3714 -14.3714 -6.7085 -6.7079 -5.8669 -5.8669 -5.7007 -5.6998 -0.8471 -0.8370 1.0566 1.0573 1.1623 1.1793 6.7003 6.7042 7.6694 7.6789 7.7201 7.7212 8.3945 8.4173 8.4725 8.4850 8.6866 8.6947 8.7659 8.7885 9.6433 9.6511 9.6954 9.6960 12.2208 12.2218 13.4473 13.4479 13.4695 13.4735 14.2502 14.2529 k = 0.0000 0.0000 0.3264 ( 2761 PWs) bands (ev): -46.2863 -46.2863 -22.9723 -22.9722 -22.3253 -22.3252 -22.3035 -22.3035 -14.3755 -14.3755 -6.6978 -6.6972 -5.8681 -5.8681 -5.7152 -5.7142 -0.8542 -0.8436 1.0497 1.0505 1.1506 1.1682 6.7572 6.7616 7.6858 7.6955 7.7419 7.7430 8.4198 8.4391 8.4979 8.5125 8.7095 8.7150 8.7986 8.8215 9.6583 9.6672 9.7129 9.7135 12.2164 12.2175 13.3946 13.3953 13.4167 13.4206 14.2504 14.2530 k = 0.0000 0.0000 0.3138 ( 2765 PWs) bands (ev): -46.2863 -46.2863 -22.9718 -22.9717 -22.3241 -22.3240 -22.3036 -22.3036 -14.3798 -14.3798 -6.6870 -6.6863 -5.8693 -5.8693 -5.7299 -5.7288 -0.8616 -0.8506 1.0425 1.0434 1.1384 1.1567 6.8165 6.8214 7.7025 7.7122 7.7642 7.7653 8.4462 8.4622 8.5246 8.5402 8.7332 8.7364 8.8363 8.8583 9.6741 9.6842 9.7313 9.7320 12.2119 12.2130 13.3393 13.3401 13.3612 13.3653 14.2505 14.2531 k = 0.0000 0.0000 0.3013 ( 2769 PWs) bands (ev): -46.2863 -46.2863 -22.9712 -22.9711 -22.3229 -22.3227 -22.3037 -22.3037 -14.3843 -14.3842 -6.6761 -6.6754 -5.8706 -5.8706 -5.7446 -5.7435 -0.8692 -0.8579 1.0351 1.0361 1.1260 1.1447 6.8779 6.8833 7.7194 7.7290 7.7868 7.7879 8.4737 8.4866 8.5524 8.5681 8.7577 8.7591 8.8788 8.8987 9.6908 9.7021 9.7506 9.7513 12.2073 12.2085 13.2818 13.2826 13.3035 13.3076 14.2506 14.2531 k = 0.0000 0.0000 0.2887 ( 2773 PWs) bands (ev): -46.2864 -46.2864 -22.9707 -22.9705 -22.3216 -22.3214 -22.3038 -22.3038 -14.3888 -14.3887 -6.6653 -6.6645 -5.8720 -5.8720 -5.7592 -5.7580 -0.8771 -0.8655 1.0275 1.0286 1.1134 1.1323 6.9410 6.9470 7.7364 7.7458 7.8095 7.8105 8.5023 8.5124 8.5812 8.5963 8.7829 8.7830 8.9258 8.9426 9.7081 9.7208 9.7707 9.7715 12.2026 12.2039 13.2221 13.2230 13.2437 13.2478 14.2507 14.2531 k = 0.0000 0.0000 0.2762 ( 2773 PWs) bands (ev): -46.2864 -46.2864 -22.9701 -22.9699 -22.3202 -22.3201 -22.3039 -22.3038 -14.3934 -14.3933 -6.6546 -6.6538 -5.8733 -5.8733 -5.7735 -5.7723 -0.8850 -0.8732 1.0199 1.0211 1.1006 1.1197 7.0053 7.0120 7.7533 7.7623 7.8320 7.8330 8.5320 8.5396 8.6109 8.6248 8.8078 8.8092 8.9770 8.9900 9.7262 9.7404 9.7915 9.7924 12.1978 12.1992 13.1607 13.1617 13.1821 13.1863 14.2507 14.2530 k = 0.0000 0.0000 0.2636 ( 2777 PWs) bands (ev): -46.2865 -46.2865 -22.9695 -22.9694 -22.3189 -22.3187 -22.3040 -22.3039 -14.3980 -14.3980 -6.6442 -6.6434 -5.8747 -5.8747 -5.7874 -5.7862 -0.8931 -0.8812 1.0121 1.0135 1.0877 1.1068 7.0706 7.0779 7.7701 7.7786 7.8542 7.8550 8.5628 8.5682 8.6416 8.6538 8.8336 8.8360 9.0319 9.0407 9.7448 9.7606 9.8129 9.8139 12.1931 12.1946 13.0978 13.0989 13.1191 13.1234 14.2507 14.2530 k = 0.0000 0.0000 0.2511 ( 2777 PWs) bands (ev): -46.2865 -46.2865 -22.9689 -22.9687 -22.3175 -22.3174 -22.3040 -22.3040 -14.4027 -14.4026 -6.6343 -6.6334 -5.8761 -5.8761 -5.8008 -5.7995 -0.9012 -0.8892 1.0044 1.0058 1.0749 1.0939 7.1363 7.1443 7.7867 7.7945 7.8757 7.8766 8.5946 8.5980 8.6730 8.6834 8.8601 8.8635 9.0901 9.0944 9.7639 9.7815 9.8349 9.8359 12.1884 12.1899 13.0338 13.0349 13.0549 13.0592 14.2508 14.2529 k = 0.0000 0.0000 0.2385 ( 2773 PWs) bands (ev): -46.2865 -46.2865 -22.9682 -22.9681 -22.3162 -22.3160 -22.3041 -22.3040 -14.4074 -14.4073 -6.6248 -6.6239 -5.8774 -5.8774 -5.8134 -5.8121 -0.9093 -0.8973 0.9967 0.9983 1.0621 1.0809 7.2019 7.2107 7.8030 7.8099 7.8966 7.8973 8.6273 8.6291 8.7053 8.7137 8.8873 8.8914 9.1509 9.1512 9.7835 9.8031 9.8573 9.8584 12.1837 12.1853 12.9688 12.9700 12.9899 12.9943 14.2508 14.2528 k = 0.0000 0.0000 0.2260 ( 2769 PWs) bands (ev): -46.2866 -46.2866 -22.9676 -22.9675 -22.3148 -22.3146 -22.3041 -22.3041 -14.4120 -14.4119 -6.6159 -6.6150 -5.8788 -5.8788 -5.8253 -5.8239 -0.9173 -0.9055 0.9891 0.9908 1.0495 1.0679 7.2670 7.2767 7.8190 7.8248 7.9165 7.9172 8.6610 8.6614 8.7382 8.7448 8.9148 8.9196 9.2099 9.2147 9.8035 9.8251 9.8801 9.8812 12.1791 12.1808 12.9034 12.9047 12.9244 12.9288 14.2507 14.2526 k = 0.0000 0.0000 0.2134 ( 2769 PWs) bands (ev): -46.2866 -46.2866 -22.9670 -22.9669 -22.3135 -22.3133 -22.3042 -22.3041 -14.4165 -14.4165 -6.6078 -6.6068 -5.8802 -5.8801 -5.8362 -5.8348 -0.9253 -0.9136 0.9816 0.9835 1.0372 1.0550 7.3311 7.3417 7.8347 7.8393 7.9354 7.9360 8.6947 8.6955 8.7716 8.7765 8.9425 8.9479 9.2709 9.2803 9.8237 9.8476 9.9030 9.9042 12.1746 12.1764 12.8377 12.8391 12.8586 12.8631 14.2507 14.2525 k = 0.0000 0.0000 0.2008 ( 2785 PWs) bands (ev): -46.2867 -46.2867 -22.9665 -22.9664 -22.3122 -22.3121 -22.3043 -22.3042 -14.4210 -14.4209 -6.6004 -6.5994 -5.8815 -5.8815 -5.8462 -5.8448 -0.9331 -0.9216 0.9743 0.9763 1.0251 1.0424 7.3937 7.4053 7.8501 7.8533 7.9531 7.9537 8.7288 8.7306 8.8055 8.8088 8.9700 8.9761 9.3336 9.3475 9.8441 9.8705 9.9261 9.9273 12.1702 12.1722 12.7722 12.7736 12.7931 12.7976 14.2507 14.2524 k = 0.0000 0.0000 0.1883 ( 2781 PWs) bands (ev): -46.2867 -46.2867 -22.9659 -22.9658 -22.3110 -22.3108 -22.3043 -22.3042 -14.4253 -14.4253 -6.5938 -6.5928 -5.8828 -5.8828 -5.8551 -5.8537 -0.9407 -0.9296 0.9672 0.9693 1.0135 1.0300 7.4541 7.4669 7.8654 7.8669 7.9697 7.9702 8.7636 8.7663 8.8396 8.8416 8.9972 9.0038 9.3975 9.4159 9.8645 9.8937 9.9492 9.9503 12.1660 12.1681 12.7072 12.7087 12.7281 12.7327 14.2506 14.2522 k = 0.0000 0.0000 0.1757 ( 2773 PWs) bands (ev): -46.2867 -46.2867 -22.9654 -22.9653 -22.3097 -22.3095 -22.3042 -22.3042 -14.4295 -14.4295 -6.5880 -6.5870 -5.8840 -5.8840 -5.8630 -5.8616 -0.9480 -0.9373 0.9603 0.9627 1.0023 1.0180 7.5119 7.5259 7.8804 7.8807 7.9850 7.9855 8.7989 8.8024 8.8736 8.8746 9.0238 9.0309 9.4621 9.4850 9.8849 9.9171 9.9721 9.9732 12.1619 12.1642 12.6431 12.6447 12.6641 12.6688 14.2506 14.2521 k = 0.0000 0.0000 0.1632 ( 2773 PWs) bands (ev): -46.2868 -46.2868 -22.9648 -22.9647 -22.3086 -22.3084 -22.3042 -22.3042 -14.4335 -14.4335 -6.5831 -6.5821 -5.8852 -5.8852 -5.8698 -5.8684 -0.9551 -0.9448 0.9538 0.9563 0.9917 1.0064 7.5665 7.5818 7.8938 7.8961 7.9991 7.9996 8.8344 8.8386 8.9073 8.9075 9.0494 9.0570 9.5267 9.5542 9.9052 9.9406 9.9948 9.9958 12.1580 12.1605 12.5804 12.5820 12.6015 12.6062 14.2505 14.2519 k = 0.0000 0.0000 0.1506 ( 2773 PWs) bands (ev): -46.2868 -46.2868 -22.9644 -22.9643 -22.3076 -22.3074 -22.3041 -22.3040 -14.4373 -14.4373 -6.5790 -6.5780 -5.8864 -5.8863 -5.8755 -5.8742 -0.9618 -0.9520 0.9475 0.9502 0.9816 0.9952 7.6171 7.6338 7.9076 7.9120 8.0119 8.0124 8.8698 8.8747 8.9400 8.9405 9.0738 9.0819 9.5906 9.6229 9.9251 9.9642 10.0171 10.0179 12.1543 12.1569 12.5194 12.5211 12.5407 12.5454 14.2505 14.2517 k = 0.0000 0.0000 0.1381 ( 2769 PWs) bands (ev): -46.2868 -46.2868 -22.9639 -22.9638 -22.3068 -22.3066 -22.3038 -22.3038 -14.4409 -14.4409 -6.5756 -6.5747 -5.8875 -5.8874 -5.8803 -5.8791 -0.9681 -0.9589 0.9417 0.9445 0.9722 0.9846 7.6632 7.6812 7.9220 7.9285 8.0235 8.0240 8.9049 8.9103 8.9718 8.9727 9.0967 9.1054 9.6532 9.6904 9.9447 9.9878 10.0389 10.0395 12.1508 12.1537 12.4607 12.4623 12.4821 12.4869 14.2504 14.2516 k = 0.0000 0.0000 0.1255 ( 2769 PWs) bands (ev): -46.2869 -46.2868 -22.9634 -22.9634 -22.3062 -22.3060 -22.3034 -22.3034 -14.4443 -14.4443 -6.5730 -6.5722 -5.8886 -5.8884 -5.8841 -5.8830 -0.9740 -0.9654 0.9363 0.9392 0.9635 0.9747 7.7043 7.7232 7.9376 7.9459 8.0339 8.0344 8.9393 8.9453 9.0024 9.0036 9.1180 9.1270 9.7135 9.7561 9.9639 10.0113 10.0600 10.0602 12.1475 12.1506 12.4047 12.4062 12.4263 12.4311 14.2504 14.2514 k = 0.0000 0.0000 0.1130 ( 2761 PWs) bands (ev): -46.2869 -46.2869 -22.9630 -22.9629 -22.3058 -22.3057 -22.3028 -22.3028 -14.4474 -14.4474 -6.5710 -6.5702 -5.8896 -5.8894 -5.8870 -5.8861 -0.9794 -0.9715 0.9313 0.9344 0.9555 0.9654 7.7398 7.7592 7.9546 7.9642 8.0431 8.0437 8.9727 8.9792 9.0316 9.0330 9.1372 9.1467 9.7706 9.8189 9.9824 10.0346 10.0800 10.0803 12.1443 12.1478 12.3520 12.3533 12.3737 12.3785 14.2503 14.2513 k = 0.0000 0.0000 0.1004 ( 2761 PWs) bands (ev): -46.2869 -46.2869 -22.9627 -22.9626 -22.3056 -22.3055 -22.3022 -22.3022 -14.4502 -14.4502 -6.5696 -6.5689 -5.8907 -5.8903 -5.8891 -5.8885 -0.9843 -0.9772 0.9267 0.9300 0.9483 0.9568 7.7696 7.7887 7.9733 7.9834 8.0511 8.0519 9.0049 9.0117 9.0589 9.0605 9.1541 9.1640 9.8237 9.8779 10.0006 10.0575 10.0986 10.0995 12.1412 12.1453 12.3030 12.3040 12.3248 12.3298 14.2503 14.2511 k = 0.0000 0.0000 0.0879 ( 2761 PWs) bands (ev): -46.2869 -46.2869 -22.9623 -22.9623 -22.3055 -22.3055 -22.3015 -22.3015 -14.4527 -14.4527 -6.5686 -6.5680 -5.8918 -5.8912 -5.8904 -5.8902 -0.9887 -0.9823 0.9228 0.9260 0.9419 0.9490 7.7941 7.8119 7.9931 8.0029 8.0581 8.0590 9.0353 9.0425 9.0840 9.0858 9.1685 9.1788 9.8718 9.9313 10.0188 10.0798 10.1157 10.1177 12.1382 12.1429 12.2583 12.2589 12.2803 12.2854 14.2503 14.2510 k = 0.0000 0.0000 0.0753 ( 2771 PWs) bands (ev): -46.2869 -46.2869 -22.9621 -22.9620 -22.3055 -22.3054 -22.3010 -22.3010 -14.4550 -14.4549 -6.5680 -6.5674 -5.8928 -5.8920 -5.8913 -5.8913 -0.9924 -0.9869 0.9193 0.9226 0.9363 0.9421 7.8137 7.8296 8.0133 8.0219 8.0641 8.0652 9.0639 9.0712 9.1065 9.1085 9.1802 9.1908 9.9141 9.9764 10.0389 10.1009 10.1313 10.1345 12.1350 12.1407 12.2184 12.2185 12.2406 12.2459 14.2502 14.2509 k = 0.0000 0.0000 0.0628 ( 2777 PWs) bands (ev): -46.2870 -46.2870 -22.9619 -22.9618 -22.3055 -22.3054 -22.3005 -22.3005 -14.4569 -14.4569 -6.5676 -6.5671 -5.8935 -5.8928 -5.8920 -5.8919 -0.9956 -0.9909 0.9165 0.9196 0.9315 0.9360 7.8290 7.8425 8.0325 8.0394 8.0691 8.0706 9.0901 9.0975 9.1261 9.1285 9.1890 9.1999 9.9503 10.0086 10.0642 10.1203 10.1450 10.1499 12.1312 12.1384 12.1831 12.1843 12.2064 12.2121 14.2502 14.2507 k = 0.0000 0.0000 0.0502 ( 2779 PWs) bands (ev): -46.2870 -46.2870 -22.9617 -22.9616 -22.3055 -22.3054 -22.3000 -22.3000 -14.4584 -14.4584 -6.5674 -6.5671 -5.8940 -5.8933 -5.8926 -5.8925 -0.9981 -0.9943 0.9143 0.9172 0.9276 0.9308 7.8409 7.8518 8.0497 8.0544 8.0732 8.0752 9.1137 9.1207 9.1425 9.1455 9.1948 9.2058 9.9801 10.0276 10.0940 10.1369 10.1567 10.1636 12.1260 12.1357 12.1534 12.1565 12.1788 12.1850 14.2502 14.2506 k = 0.0000 0.0000 0.0377 ( 2775 PWs) bands (ev): -46.2870 -46.2870 -22.9615 -22.9615 -22.3055 -22.3054 -22.2996 -22.2996 -14.4597 -14.4597 -6.5674 -6.5671 -5.8942 -5.8937 -5.8930 -5.8929 -1.0000 -0.9971 0.9127 0.9152 0.9245 0.9267 7.8499 7.8580 8.0639 8.0660 8.0765 8.0795 9.1344 9.1405 9.1554 9.1595 9.1977 9.2086 10.0037 10.0384 10.1221 10.1502 10.1664 10.1748 12.1177 12.1295 12.1314 12.1365 12.1592 12.1656 14.2502 14.2505 k = 0.0000 0.0000 0.0251 ( 2779 PWs) bands (ev): -46.2870 -46.2870 -22.9614 -22.9614 -22.3055 -22.3054 -22.2994 -22.2994 -14.4606 -14.4606 -6.5674 -6.5672 -5.8943 -5.8939 -5.8932 -5.8932 -1.0012 -0.9993 0.9118 0.9136 0.9224 0.9236 7.8563 7.8617 8.0732 8.0737 8.0799 8.0838 9.1517 9.1557 9.1647 9.1706 9.1980 9.2083 10.0215 10.0438 10.1445 10.1595 10.1741 10.1827 12.1071 12.1122 12.1239 12.1240 12.1493 12.1542 14.2503 14.2505 k = 0.0000 0.0000 0.0126 ( 2779 PWs) bands (ev): -46.2870 -46.2870 -22.9613 -22.9613 -22.3055 -22.3055 -22.2993 -22.2993 -14.4611 -14.4611 -6.5673 -6.5672 -5.8943 -5.8941 -5.8934 -5.8934 -1.0017 -1.0008 0.9115 0.9124 0.9211 0.9217 7.8606 7.8633 8.0767 8.0774 8.0846 8.0870 9.1645 9.1653 9.1709 9.1775 9.1976 9.2052 10.0340 10.0449 10.1590 10.1647 10.1804 10.1862 12.0993 12.1014 12.1165 12.1169 12.1461 12.1485 14.2503 14.2504 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -46.2870 -46.2870 -22.9613 -22.9613 -22.3054 -22.3054 -22.2992 -22.2992 -14.4613 -14.4613 -6.5673 -6.5673 -5.8942 -5.8942 -5.8934 -5.8934 -1.0016 -1.0016 0.9117 0.9117 0.9209 0.9209 7.8630 7.8630 8.0779 8.0779 8.0874 8.0874 9.1688 9.1688 9.1766 9.1766 9.2005 9.2005 10.0417 10.0417 10.1651 10.1651 10.1850 10.1850 12.0971 12.0971 12.1141 12.1141 12.1461 12.1461 14.2504 14.2507 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -46.2870 -46.2870 -22.9613 -22.9613 -22.3054 -22.3054 -22.2992 -22.2992 -14.4613 -14.4613 -6.5673 -6.5673 -5.8942 -5.8942 -5.8934 -5.8934 -1.0016 -1.0016 0.9117 0.9117 0.9209 0.9209 7.8630 7.8630 8.0779 8.0779 8.0874 8.0874 9.1688 9.1688 9.1766 9.1766 9.2005 9.2005 10.0417 10.0417 10.1651 10.1651 10.1850 10.1850 12.0971 12.0971 12.1141 12.1141 12.1461 12.1461 14.2503 14.2506 k =-0.0089 0.0089 0.0000 ( 2779 PWs) bands (ev): -46.2870 -46.2870 -22.9613 -22.9613 -22.3055 -22.3055 -22.2992 -22.2992 -14.4611 -14.4611 -6.5674 -6.5673 -5.8944 -5.8942 -5.8935 -5.8931 -1.0020 -1.0005 0.9106 0.9133 0.9212 0.9217 7.8606 7.8632 8.0753 8.0768 8.0867 8.0868 9.1658 9.1666 9.1721 9.1781 9.1958 9.2024 10.0317 10.0468 10.1521 10.1722 10.1812 10.1855 12.0959 12.1015 12.1146 12.1186 12.1478 12.1504 14.2541 14.2543 k =-0.0179 0.0178 0.0000 ( 2779 PWs) bands (ev): -46.2870 -46.2870 -22.9614 -22.9614 -22.3056 -22.3056 -22.2993 -22.2993 -14.4606 -14.4606 -6.5675 -6.5673 -5.8944 -5.8943 -5.8931 -5.8926 -1.0018 -0.9987 0.9100 0.9148 0.9231 0.9236 7.8562 7.8613 8.0690 8.0722 8.0847 8.0849 9.1565 9.1594 9.1656 9.1739 9.1911 9.2021 10.0167 10.0469 10.1334 10.1726 10.1753 10.1826 12.0980 12.1085 12.1202 12.1279 12.1558 12.1603 14.2607 14.2611 k =-0.0268 0.0267 0.0000 ( 2783 PWs) bands (ev): -46.2870 -46.2870 -22.9615 -22.9615 -22.3058 -22.3058 -22.2993 -22.2993 -14.4597 -14.4597 -6.5677 -6.5674 -5.8944 -5.8943 -5.8926 -5.8921 -1.0008 -0.9962 0.9100 0.9161 0.9265 0.9268 7.8494 7.8571 8.0592 8.0641 8.0814 8.0817 9.1404 9.1458 9.1563 9.1625 9.1895 9.2008 9.9965 10.0416 10.1096 10.1627 10.1711 10.1765 12.1036 12.1174 12.1310 12.1417 12.1702 12.1758 14.2670 14.2673 k =-0.0357 0.0356 0.0000 ( 2783 PWs) bands (ev): -46.2870 -46.2870 -22.9617 -22.9617 -22.3061 -22.3061 -22.2994 -22.2994 -14.4585 -14.4585 -6.5679 -6.5675 -5.8945 -5.8941 -5.8919 -5.8914 -0.9992 -0.9931 0.9104 0.9173 0.9305 0.9322 7.8402 7.8505 8.0462 8.0528 8.0766 8.0772 9.1178 9.1243 9.1435 9.1475 9.1894 9.1994 9.9709 10.0295 10.0827 10.1486 10.1633 10.1673 12.1126 12.1284 12.1466 12.1595 12.1909 12.1969 14.2758 14.2762 k =-0.0446 0.0446 0.0000 ( 2769 PWs) bands (ev): -46.2870 -46.2870 -22.9618 -22.9618 -22.3064 -22.3063 -22.2995 -22.2994 -14.4569 -14.4569 -6.5681 -6.5677 -5.8944 -5.8937 -5.8911 -5.8907 -0.9969 -0.9894 0.9112 0.9186 0.9357 0.9389 7.8283 7.8412 8.0303 8.0387 8.0706 8.0713 9.0890 9.0955 9.1273 9.1300 9.1898 9.1983 9.9401 10.0070 10.0569 10.1311 10.1518 10.1551 12.1251 12.1419 12.1663 12.1808 12.2175 12.2236 14.2870 14.2875 k =-0.0536 0.0535 0.0000 ( 2777 PWs) bands (ev): -46.2870 -46.2870 -22.9621 -22.9621 -22.3068 -22.3068 -22.2996 -22.2996 -14.4550 -14.4550 -6.5684 -6.5679 -5.8942 -5.8930 -5.8901 -5.8900 -0.9941 -0.9851 0.9122 0.9200 0.9420 0.9469 7.8134 7.8288 8.0121 8.0220 8.0633 8.0641 9.0545 9.0606 9.1076 9.1097 9.1903 9.1977 9.9039 9.9717 10.0353 10.1105 10.1373 10.1402 12.1407 12.1580 12.1897 12.2051 12.2492 12.2553 14.3004 14.3010 k =-0.0625 0.0624 0.0000 ( 2781 PWs) bands (ev): -46.2869 -46.2869 -22.9624 -22.9624 -22.3073 -22.3073 -22.2998 -22.2998 -14.4528 -14.4528 -6.5688 -6.5682 -5.8938 -5.8922 -5.8892 -5.8890 -0.9906 -0.9803 0.9135 0.9216 0.9495 0.9559 7.7952 7.8128 7.9920 8.0033 8.0547 8.0557 9.0149 9.0206 9.0849 9.0866 9.1910 9.1974 9.8625 9.9265 10.0157 10.0873 10.1202 10.1228 12.1595 12.1769 12.2164 12.2324 12.2855 12.2916 14.3159 14.3166 k =-0.0714 0.0713 0.0000 ( 2781 PWs) bands (ev): -46.2869 -46.2869 -22.9627 -22.9627 -22.3079 -22.3079 -22.2999 -22.2999 -14.4503 -14.4502 -6.5691 -6.5685 -5.8933 -5.8912 -5.8883 -5.8877 -0.9867 -0.9750 0.9149 0.9234 0.9580 0.9660 7.7732 7.7928 7.9708 7.9829 8.0450 8.0460 8.9708 8.9761 9.0592 9.0607 9.1919 9.1975 9.8164 9.8746 9.9957 10.0617 10.1009 10.1032 12.1811 12.1985 12.2463 12.2624 12.3258 12.3319 14.3332 14.3340 k =-0.0804 0.0802 0.0000 ( 2785 PWs) bands (ev): -46.2869 -46.2869 -22.9631 -22.9631 -22.3085 -22.3085 -22.3002 -22.3002 -14.4474 -14.4474 -6.5695 -6.5688 -5.8926 -5.8899 -5.8872 -5.8863 -0.9823 -0.9694 0.9165 0.9255 0.9676 0.9769 7.7473 7.7682 7.9489 7.9614 8.0342 8.0351 8.9227 8.9277 9.0309 9.0323 9.1930 9.1980 9.7657 9.8179 9.9747 10.0344 10.0797 10.0815 12.2056 12.2227 12.2789 12.2950 12.3694 12.3755 14.3523 14.3531 k =-0.0893 0.0891 0.0000 ( 2779 PWs) bands (ev): -46.2869 -46.2869 -22.9635 -22.9635 -22.3092 -22.3092 -22.3004 -22.3003 -14.4443 -14.4443 -6.5699 -6.5691 -5.8917 -5.8885 -5.8859 -5.8846 -0.9774 -0.9633 0.9184 0.9277 0.9780 0.9885 7.7172 7.7389 7.9267 7.9389 8.0223 8.0232 8.8713 8.8760 9.0002 9.0016 9.1943 9.1989 9.7112 9.7572 9.9525 10.0059 10.0569 10.0580 12.2326 12.2494 12.3142 12.3300 12.4158 12.4219 14.3728 14.3738 k =-0.0982 0.0980 0.0000 ( 2775 PWs) bands (ev): -46.2868 -46.2868 -22.9639 -22.9639 -22.3099 -22.3099 -22.3006 -22.3006 -14.4409 -14.4408 -6.5702 -6.5694 -5.8908 -5.8871 -5.8843 -5.8826 -0.9722 -0.9570 0.9203 0.9302 0.9892 1.0008 7.6831 7.7050 7.9043 7.9156 8.0097 8.0104 8.8169 8.8215 8.9674 8.9687 9.1959 9.2002 9.6532 9.6936 9.9293 9.9765 10.0327 10.0330 12.2621 12.2785 12.3517 12.3672 12.4645 12.4705 14.3948 14.3957 k =-0.1071 0.1069 0.0000 ( 2771 PWs) bands (ev): -46.2868 -46.2868 -22.9644 -22.9644 -22.3108 -22.3107 -22.3008 -22.3008 -14.4372 -14.4372 -6.5705 -6.5697 -5.8897 -5.8858 -5.8821 -5.8803 -0.9667 -0.9505 0.9225 0.9328 1.0009 1.0136 7.6450 7.6667 7.8815 7.8914 7.9963 7.9968 8.7599 8.7645 8.9328 8.9340 9.1978 9.2018 9.5926 9.6278 9.9053 9.9465 10.0068 10.0075 12.2938 12.3098 12.3912 12.4064 12.5150 12.5210 14.4178 14.4189 k =-0.1161 0.1159 0.0000 ( 2771 PWs) bands (ev): -46.2868 -46.2868 -22.9649 -22.9649 -22.3117 -22.3116 -22.3010 -22.3010 -14.4333 -14.4332 -6.5708 -6.5699 -5.8885 -5.8846 -5.8795 -5.8777 -0.9609 -0.9439 0.9247 0.9357 1.0132 1.0267 7.6035 7.6245 7.8579 7.8661 7.9824 7.9827 8.7007 8.7053 8.8965 8.8977 9.2000 9.2039 9.5300 9.5605 9.8808 9.9162 9.9797 9.9816 12.3276 12.3432 12.4326 12.4474 12.5670 12.5729 14.4419 14.4429 k =-0.1250 0.1248 0.0000 ( 2765 PWs) bands (ev): -46.2867 -46.2867 -22.9654 -22.9654 -22.3126 -22.3125 -22.3013 -22.3013 -14.4291 -14.4291 -6.5710 -6.5701 -5.8873 -5.8834 -5.8765 -5.8748 -0.9550 -0.9371 0.9271 0.9387 1.0258 1.0401 7.5588 7.5791 7.8331 7.8395 7.9681 7.9682 8.6395 8.6443 8.8588 8.8600 9.2024 9.2064 9.4662 9.4926 9.8557 9.8857 9.9521 9.9555 12.3634 12.3786 12.4755 12.4899 12.6201 12.6258 14.4667 14.4678 k =-0.1339 0.1337 0.0000 ( 2769 PWs) bands (ev): -46.2867 -46.2867 -22.9660 -22.9660 -22.3136 -22.3136 -22.3016 -22.3016 -14.4248 -14.4247 -6.5710 -6.5701 -5.8860 -5.8822 -5.8730 -5.8714 -0.9490 -0.9303 0.9297 0.9418 1.0386 1.0534 7.5116 7.5309 7.8068 7.8114 7.9534 7.9535 8.5765 8.5815 8.8199 8.8211 9.2049 9.2092 9.4020 9.4249 9.8301 9.8547 9.9247 9.9297 12.4009 12.4157 12.5197 12.5337 12.6740 12.6796 14.4921 14.4933 k =-0.1429 0.1426 0.0000 ( 2767 PWs) bands (ev): -46.2866 -46.2866 -22.9666 -22.9666 -22.3147 -22.3146 -22.3019 -22.3019 -14.4202 -14.4202 -6.5708 -6.5700 -5.8846 -5.8809 -5.8692 -5.8677 -0.9429 -0.9236 0.9323 0.9451 1.0514 1.0666 7.4622 7.4807 7.7786 7.7816 7.9386 7.9389 8.5118 8.5170 8.7801 8.7812 9.2069 9.2120 9.3385 9.3589 9.8036 9.8232 9.8982 9.9049 12.4400 12.4544 12.5650 12.5787 12.7285 12.7339 14.5181 14.5192 k =-0.1518 0.1515 0.0000 ( 2763 PWs) bands (ev): -46.2866 -46.2866 -22.9673 -22.9672 -22.3158 -22.3157 -22.3022 -22.3021 -14.4155 -14.4154 -6.5705 -6.5697 -5.8832 -5.8797 -5.8649 -5.8636 -0.9368 -0.9169 0.9351 0.9485 1.0641 1.0795 7.4112 7.4287 7.7484 7.7499 7.9239 7.9242 8.4455 8.4510 8.7395 8.7406 9.2067 9.2136 9.2778 9.2969 9.7758 9.7909 9.8734 9.8817 12.4806 12.4946 12.6111 12.6245 12.7833 12.7886 14.5443 14.5454 k =-0.1607 0.1604 0.0000 ( 2763 PWs) bands (ev): -46.2866 -46.2866 -22.9679 -22.9679 -22.3169 -22.3168 -22.3025 -22.3025 -14.4106 -14.4105 -6.5699 -6.5691 -5.8817 -5.8784 -5.8604 -5.8592 -0.9307 -0.9104 0.9379 0.9521 1.0765 1.0920 7.3589 7.3756 7.7161 7.7164 7.9092 7.9095 8.3777 8.3834 8.6984 8.6993 9.1939 9.1994 9.2350 9.2502 9.7462 9.7574 9.8511 9.8607 12.5225 12.5361 12.6580 12.6710 12.8384 12.8435 14.5707 14.5718 k =-0.1696 0.1693 0.0000 ( 2764 PWs) bands (ev): -46.2865 -46.2865 -22.9686 -22.9686 -22.3181 -22.3180 -22.3028 -22.3028 -14.4056 -14.4055 -6.5689 -6.5682 -5.8802 -5.8770 -5.8555 -5.8544 -0.9248 -0.9041 0.9407 0.9557 1.0884 1.1038 7.3059 7.3217 7.6809 7.6816 7.8947 7.8948 8.3083 8.3142 8.6568 8.6577 9.1489 9.1510 9.2315 9.2367 9.7146 9.7227 9.8320 9.8424 12.5655 12.5788 12.7053 12.7180 12.8936 12.8984 14.5971 14.5982 k =-0.1786 0.1782 0.0000 ( 2752 PWs) bands (ev): -46.2865 -46.2865 -22.9693 -22.9692 -22.3193 -22.3192 -22.3031 -22.3031 -14.4004 -14.4004 -6.5677 -6.5670 -5.8787 -5.8756 -5.8504 -5.8493 -0.9190 -0.8981 0.9436 0.9593 1.0998 1.1150 7.2524 7.2674 7.6436 7.6452 7.8801 7.8803 8.2374 8.2434 8.6150 8.6159 9.0946 9.0978 9.2352 9.2374 9.6810 9.6868 9.8164 9.8270 12.6095 12.6225 12.7529 12.7653 12.9487 12.9533 14.6234 14.6246 k =-0.1875 0.1872 0.0000 ( 2752 PWs) bands (ev): -46.2864 -46.2864 -22.9700 -22.9700 -22.3205 -22.3204 -22.3035 -22.3035 -14.3952 -14.3951 -6.5660 -6.5653 -5.8772 -5.8742 -5.8450 -5.8440 -0.9134 -0.8923 0.9465 0.9630 1.1105 1.1252 7.1987 7.2130 7.6046 7.6068 7.8654 7.8660 8.1651 8.1711 8.5732 8.5739 9.0431 9.0459 9.2402 9.2411 9.6455 9.6497 9.8042 9.8146 12.6544 12.6671 12.8006 12.8128 13.0036 13.0081 14.6496 14.6507 k =-0.1964 0.1961 0.0000 ( 2748 PWs) bands (ev): -46.2863 -46.2863 -22.9707 -22.9707 -22.3218 -22.3217 -22.3038 -22.3038 -14.3898 -14.3898 -6.5639 -6.5632 -5.8756 -5.8727 -5.8394 -5.8385 -0.9081 -0.8868 0.9493 0.9667 1.1204 1.1345 7.1452 7.1587 7.5640 7.5666 7.8505 7.8517 8.0917 8.0975 8.5314 8.5320 8.9956 8.9977 9.2457 9.2460 9.6086 9.6115 9.7954 9.8052 12.7001 12.7125 12.8483 12.8602 13.0583 13.0626 14.6754 14.6765 k =-0.2054 0.2050 0.0000 ( 2744 PWs) bands (ev): -46.2863 -46.2863 -22.9715 -22.9714 -22.3231 -22.3230 -22.3042 -22.3041 -14.3845 -14.3844 -6.5612 -6.5607 -5.8739 -5.8712 -5.8337 -5.8328 -0.9030 -0.8818 0.9521 0.9704 1.1294 1.1428 7.0921 7.1049 7.5219 7.5249 7.8351 7.8373 8.0176 8.0227 8.4898 8.4903 8.9527 8.9542 9.2514 9.2515 9.5704 9.5725 9.7897 9.7988 12.7463 12.7585 12.8958 12.9075 13.1128 13.1168 14.7009 14.7020 k =-0.2143 0.2139 0.0000 ( 2748 PWs) bands (ev): -46.2862 -46.2862 -22.9723 -22.9722 -22.3244 -22.3243 -22.3045 -22.3045 -14.3791 -14.3790 -6.5580 -6.5575 -5.8723 -5.8697 -5.8279 -5.8270 -0.8982 -0.8771 0.9547 0.9740 1.1374 1.1499 7.0397 7.0517 7.4786 7.4818 7.8181 7.8220 7.9440 7.9475 8.4484 8.4489 8.9149 8.9158 9.2570 9.2575 9.5313 9.5329 9.7872 9.7954 12.7929 12.8049 12.9430 12.9545 13.1668 13.1706 14.7259 14.7269 k =-0.2232 0.2228 0.0000 ( 2750 PWs) bands (ev): -46.2862 -46.2862 -22.9731 -22.9730 -22.3258 -22.3257 -22.3049 -22.3049 -14.3736 -14.3736 -6.5542 -6.5538 -5.8706 -5.8681 -5.8221 -5.8212 -0.8938 -0.8728 0.9571 0.9774 1.1445 1.1558 6.9879 6.9992 7.4343 7.4375 7.7953 7.8035 7.8749 7.8753 8.4075 8.4079 8.8823 8.8829 9.2628 9.2636 9.4916 9.4928 9.7874 9.7948 12.8399 12.8517 12.9897 13.0011 13.2203 13.2239 14.7503 14.7513 k =-0.2321 0.2317 0.0000 ( 2750 PWs) bands (ev): -46.2861 -46.2861 -22.9739 -22.9738 -22.3271 -22.3270 -22.3052 -22.3052 -14.3682 -14.3682 -6.5498 -6.5494 -5.8689 -5.8666 -5.8163 -5.8154 -0.8897 -0.8690 0.9594 0.9806 1.1505 1.1606 6.9371 6.9477 7.3891 7.3923 7.7526 7.7662 7.8203 7.8260 8.3672 8.3675 8.8552 8.8556 9.2686 9.2696 9.4516 9.4524 9.7904 9.7968 12.8871 12.8987 13.0358 13.0470 13.2734 13.2768 14.7741 14.7751 k =-0.2411 0.2406 0.0000 ( 2754 PWs) bands (ev): -46.2861 -46.2861 -22.9747 -22.9746 -22.3285 -22.3284 -22.3056 -22.3056 -14.3628 -14.3628 -6.5447 -6.5444 -5.8672 -5.8650 -5.8106 -5.8097 -0.8861 -0.8656 0.9613 0.9836 1.1555 1.1642 6.8873 6.8971 7.3433 7.3464 7.6858 7.6981 7.7962 7.8006 8.3274 8.3276 8.8336 8.8339 9.2740 9.2753 9.4116 9.4122 9.7960 9.8015 12.9343 12.9458 13.0813 13.0924 13.3258 13.3290 14.7973 14.7982 k =-0.2500 0.2495 0.0000 ( 2750 PWs) bands (ev): -46.2860 -46.2860 -22.9755 -22.9754 -22.3299 -22.3298 -22.3060 -22.3059 -14.3574 -14.3574 -6.5388 -6.5386 -5.8655 -5.8634 -5.8051 -5.8041 -0.8828 -0.8627 0.9629 0.9862 1.1596 1.1668 6.8385 6.8477 7.2970 7.3000 7.6106 7.6215 7.7808 7.7837 8.2883 8.2884 8.8176 8.8180 9.2787 9.2802 9.3723 9.3727 9.8038 9.8085 12.9814 12.9928 13.1259 13.1369 13.3776 13.3806 14.8197 14.8206 k =-0.2589 0.2585 0.0000 ( 2754 PWs) bands (ev): -46.2860 -46.2860 -22.9763 -22.9762 -22.3313 -22.3312 -22.3063 -22.3063 -14.3521 -14.3521 -6.5323 -6.5321 -5.8637 -5.8617 -5.7998 -5.7988 -0.8799 -0.8603 0.9640 0.9884 1.1628 1.1684 6.7909 6.7994 7.2505 7.2533 7.5331 7.5432 7.7673 7.7693 8.2500 8.2501 8.8071 8.8076 9.2801 9.2818 9.3363 9.3366 9.8139 9.8177 13.0283 13.0396 13.1697 13.1806 13.4287 13.4315 14.8413 14.8422 k =-0.2679 0.2674 0.0000 ( 2744 PWs) bands (ev): -46.2859 -46.2859 -22.9770 -22.9770 -22.3326 -22.3324 -22.3066 -22.3066 -14.3469 -14.3469 -6.5249 -6.5249 -5.8620 -5.8601 -5.7948 -5.7938 -0.8775 -0.8583 0.9647 0.9901 1.1653 1.1691 6.7445 6.7523 7.2040 7.2065 7.4553 7.4648 7.7548 7.7562 8.2125 8.2126 8.8021 8.8026 9.2680 9.2693 9.3140 9.3148 9.8258 9.8289 13.0749 13.0861 13.2124 13.2233 13.4790 13.4815 14.8622 14.8630 k =-0.2768 0.2763 0.0000 ( 2748 PWs) bands (ev): -46.2859 -46.2859 -22.9778 -22.9778 -22.3339 -22.3338 -22.3070 -22.3070 -14.3418 -14.3417 -6.5168 -6.5168 -5.8603 -5.8585 -5.7902 -5.7892 -0.8754 -0.8568 0.9647 0.9911 1.1670 1.1691 6.6993 6.7064 7.1576 7.1597 7.3778 7.3869 7.7429 7.7438 8.1759 8.1761 8.8022 8.8029 9.2365 9.2372 9.3114 9.3129 9.8396 9.8419 13.1210 13.1321 13.2541 13.2650 13.5284 13.5307 14.8822 14.8830 k =-0.2857 0.2852 0.0000 ( 2752 PWs) bands (ev): -46.2858 -46.2858 -22.9786 -22.9786 -22.3353 -22.3352 -22.3074 -22.3073 -14.3367 -14.3367 -6.5080 -6.5079 -5.8586 -5.8569 -5.7861 -5.7850 -0.8738 -0.8558 0.9641 0.9913 1.1682 1.1687 6.6553 6.6617 7.1115 7.1132 7.3012 7.3100 7.7314 7.7320 8.1403 8.1405 8.8074 8.8083 9.1990 9.1994 9.3153 9.3171 9.8548 9.8565 13.1665 13.1776 13.2947 13.3055 13.5768 13.5790 14.9013 14.9021 k =-0.2946 0.2941 0.0000 ( 2746 PWs) bands (ev): -46.2858 -46.2858 -22.9794 -22.9793 -22.3366 -22.3365 -22.3077 -22.3076 -14.3318 -14.3318 -6.4984 -6.4982 -5.8568 -5.8553 -5.7824 -5.7813 -0.8726 -0.8553 0.9628 0.9906 1.1679 1.1691 6.6126 6.6184 7.0658 7.0671 7.2259 7.2346 7.7204 7.7207 8.1056 8.1060 8.8174 8.8184 9.1603 9.1607 9.3209 9.3229 9.8714 9.8725 13.2113 13.2223 13.3340 13.3448 13.6241 13.6261 14.9196 14.9203 k =-0.3036 0.3030 0.0000 ( 2750 PWs) bands (ev): -46.2857 -46.2857 -22.9802 -22.9801 -22.3379 -22.3378 -22.3080 -22.3080 -14.3270 -14.3270 -6.4880 -6.4877 -5.8552 -5.8537 -5.7793 -5.7782 -0.8718 -0.8551 0.9607 0.9890 1.1670 1.1696 6.5711 6.5762 7.0207 7.0214 7.1522 7.1611 7.7098 7.7099 8.0721 8.0725 8.8318 8.8330 9.1217 9.1220 9.3271 9.3293 9.8891 9.8896 13.2552 13.2663 13.3720 13.3829 13.6703 13.6722 14.9369 14.9376 k =-0.3125 0.3119 0.0000 ( 2746 PWs) bands (ev): -46.2857 -46.2857 -22.9809 -22.9808 -22.3391 -22.3390 -22.3083 -22.3083 -14.3224 -14.3224 -6.4768 -6.4765 -5.8535 -5.8522 -5.7768 -5.7756 -0.8714 -0.8555 0.9578 0.9863 1.1662 1.1701 6.5309 6.5354 6.9762 6.9762 7.0808 7.0898 7.6996 7.6998 8.0396 8.0401 8.8504 8.8517 9.0837 9.0839 9.3337 9.3359 9.9076 9.9077 13.2982 13.3093 13.4087 13.4197 13.7153 13.7170 14.9533 14.9540 k =-0.3214 0.3208 0.0000 ( 2748 PWs) bands (ev): -46.2856 -46.2856 -22.9816 -22.9815 -22.3403 -22.3402 -22.3086 -22.3086 -14.3179 -14.3179 -6.4649 -6.4645 -5.8518 -5.8507 -5.7750 -5.7738 -0.8714 -0.8562 0.9540 0.9825 1.1656 1.1706 6.4920 6.4959 6.9312 6.9322 7.0119 7.0215 7.6898 7.6901 8.0083 8.0089 8.8727 8.8742 9.0464 9.0466 9.3404 9.3428 9.9266 9.9269 13.3401 13.3513 13.4440 13.4551 13.7589 13.7604 14.9688 14.9694 k =-0.3304 0.3298 0.0000 ( 2748 PWs) bands (ev): -46.2856 -46.2856 -22.9823 -22.9822 -22.3415 -22.3414 -22.3089 -22.3089 -14.3136 -14.3136 -6.4524 -6.4519 -5.8502 -5.8492 -5.7739 -5.7727 -0.8717 -0.8572 0.9495 0.9777 1.1654 1.1711 6.4543 6.4576 6.8860 6.8881 6.9467 6.9571 7.6806 7.6810 7.9782 7.9788 8.8983 8.8999 9.0100 9.0102 9.3473 9.3497 9.9459 9.9467 13.3807 13.3920 13.4779 13.4891 13.8011 13.8025 14.9834 14.9839 k =-0.3393 0.3387 0.0000 ( 2740 PWs) bands (ev): -46.2855 -46.2855 -22.9830 -22.9829 -22.3427 -22.3425 -22.3092 -22.3091 -14.3095 -14.3095 -6.4391 -6.4385 -5.8487 -5.8478 -5.7734 -5.7722 -0.8723 -0.8587 0.9443 0.9718 1.1656 1.1718 6.4179 6.4206 6.8394 6.8427 6.8868 6.8979 7.6718 7.6724 7.9493 7.9500 8.9266 8.9283 8.9750 8.9752 9.3543 9.3568 9.9657 9.9667 13.4201 13.4315 13.5102 13.5216 13.8417 13.8430 14.9970 14.9975 k =-0.3482 0.3476 0.0000 ( 2744 PWs) bands (ev): -46.2855 -46.2855 -22.9836 -22.9836 -22.3438 -22.3437 -22.3095 -22.3094 -14.3055 -14.3055 -6.4253 -6.4246 -5.8472 -5.8465 -5.7738 -5.7726 -0.8732 -0.8604 0.9384 0.9650 1.1662 1.1727 6.3828 6.3849 6.7903 6.7933 6.8351 6.8456 7.6637 7.6644 7.9216 7.9224 8.9386 8.9389 8.9601 8.9613 9.3613 9.3638 9.9855 9.9869 13.4579 13.4696 13.5410 13.5526 13.8807 13.8818 15.0097 15.0102 k =-0.3571 0.3565 0.0000 ( 2746 PWs) bands (ev): -46.2854 -46.2854 -22.9843 -22.9842 -22.3449 -22.3448 -22.3097 -22.3097 -14.3018 -14.3018 -6.4109 -6.4102 -5.8457 -5.8452 -5.7749 -5.7737 -0.8744 -0.8624 0.9320 0.9575 1.1672 1.1739 6.3489 6.3506 6.7389 6.7405 6.7915 6.8002 7.6561 7.6569 7.8951 7.8960 8.9070 8.9070 8.9918 8.9934 9.3684 9.3710 10.0054 10.0070 13.4943 13.5062 13.5702 13.5821 13.9180 13.9190 15.0215 15.0219 k =-0.3661 0.3654 0.0000 ( 2744 PWs) bands (ev): -46.2854 -46.2854 -22.9849 -22.9848 -22.3459 -22.3458 -22.3100 -22.3099 -14.2982 -14.2982 -6.3961 -6.3953 -5.8444 -5.8439 -5.7767 -5.7756 -0.8758 -0.8645 0.9252 0.9493 1.1686 1.1752 6.3164 6.3175 6.6872 6.6874 6.7531 6.7602 7.6491 7.6501 7.8699 7.8708 8.8757 8.8757 9.0260 9.0277 9.3756 9.3782 10.0250 10.0268 13.5290 13.5412 13.5978 13.6099 13.9534 13.9543 15.0324 15.0328 k =-0.3750 0.3743 0.0000 ( 2742 PWs) bands (ev): -46.2854 -46.2854 -22.9855 -22.9854 -22.3468 -22.3467 -22.3102 -22.3102 -14.2949 -14.2949 -6.3809 -6.3801 -5.8430 -5.8428 -5.7793 -5.7783 -0.8773 -0.8669 0.9181 0.9407 1.1704 1.1767 6.2851 6.2859 6.6361 6.6369 6.7180 6.7239 7.6428 7.6439 7.8459 7.8469 8.8458 8.8458 9.0612 9.0629 9.3829 9.3855 10.0443 10.0462 13.5619 13.5744 13.6237 13.6362 13.9870 13.9877 15.0424 15.0427 k =-0.3839 0.3832 0.0000 ( 2740 PWs) bands (ev): -46.2853 -46.2853 -22.9860 -22.9859 -22.3477 -22.3476 -22.3104 -22.3104 -14.2917 -14.2917 -6.3655 -6.3646 -5.8418 -5.8418 -5.7825 -5.7816 -0.8790 -0.8694 0.9108 0.9319 1.1723 1.1784 6.2553 6.2556 6.5878 6.5892 6.6856 6.6905 7.6372 7.6383 7.8232 7.8243 8.8175 8.8175 9.0967 9.0984 9.3902 9.3929 10.0630 10.0650 13.5929 13.6059 13.6479 13.6609 14.0185 14.0191 15.0515 15.0518 k =-0.3929 0.3921 0.0000 ( 2738 PWs) bands (ev): -46.2853 -46.2853 -22.9865 -22.9864 -22.3486 -22.3485 -22.3106 -22.3106 -14.2888 -14.2888 -6.3499 -6.3490 -5.8408 -5.8407 -5.7864 -5.7857 -0.8807 -0.8720 0.9036 0.9230 1.1745 1.1801 6.2268 6.2268 6.5428 6.5446 6.6554 6.6596 7.6323 7.6335 7.8018 7.8030 8.7910 8.7910 9.1318 9.1335 9.3977 9.4004 10.0810 10.0831 13.6219 13.6354 13.6704 13.6839 14.0479 14.0484 15.0597 15.0600 k =-0.4018 0.4011 0.0000 ( 2746 PWs) bands (ev): -46.2853 -46.2853 -22.9870 -22.9870 -22.3494 -22.3493 -22.3108 -22.3108 -14.2861 -14.2861 -6.3344 -6.3335 -5.8401 -5.8397 -5.7909 -5.7903 -0.8825 -0.8746 0.8965 0.9142 1.1768 1.1820 6.1996 6.1999 6.5014 6.5034 6.6275 6.6312 7.6281 7.6294 7.7816 7.7828 8.7662 8.7662 9.1659 9.1676 9.4054 9.4081 10.0982 10.1003 13.6489 13.6630 13.6912 13.7052 14.0751 14.0756 15.0672 15.0674 k =-0.4107 0.4100 0.0000 ( 2748 PWs) bands (ev): -46.2852 -46.2852 -22.9875 -22.9874 -22.3502 -22.3501 -22.3110 -22.3110 -14.2837 -14.2836 -6.3190 -6.3181 -5.8395 -5.8388 -5.7958 -5.7954 -0.8843 -0.8772 0.8896 0.9057 1.1791 1.1838 6.1739 6.1745 6.4638 6.4659 6.6020 6.6051 7.6247 7.6260 7.7627 7.7640 8.7432 8.7432 9.1985 9.2001 9.4134 9.4161 10.1144 10.1165 13.6738 13.6885 13.7102 13.7249 14.1002 14.1005 15.0738 15.0740 k =-0.4196 0.4189 0.0000 ( 2748 PWs) bands (ev): -46.2852 -46.2852 -22.9879 -22.9878 -22.3508 -22.3507 -22.3112 -22.3112 -14.2814 -14.2814 -6.3040 -6.3030 -5.8391 -5.8381 -5.8009 -5.8008 -0.8861 -0.8797 0.8831 0.8975 1.1813 1.1856 6.1501 6.1508 6.4299 6.4320 6.5787 6.5814 7.6220 7.6234 7.7450 7.7464 8.7223 8.7223 9.2287 9.2304 9.4219 9.4244 10.1295 10.1315 13.6964 13.7119 13.7274 13.7428 14.1229 14.1232 15.0797 15.0799 k =-0.4286 0.4278 0.0000 ( 2750 PWs) bands (ev): -46.2852 -46.2852 -22.9882 -22.9882 -22.3514 -22.3514 -22.3113 -22.3113 -14.2794 -14.2794 -6.2895 -6.2886 -5.8389 -5.8376 -5.8064 -5.8061 -0.8878 -0.8822 0.8771 0.8898 1.1835 1.1873 6.1281 6.1289 6.3998 6.4019 6.5577 6.5601 7.6202 7.6217 7.7286 7.7300 8.7033 8.7033 9.2561 9.2577 9.4307 9.4332 10.1433 10.1452 13.7168 13.7330 13.7428 13.7590 14.1433 14.1436 15.0849 15.0850 k =-0.4375 0.4367 0.0000 ( 2746 PWs) bands (ev): -46.2852 -46.2852 -22.9885 -22.9885 -22.3520 -22.3519 -22.3115 -22.3114 -14.2776 -14.2776 -6.2758 -6.2749 -5.8392 -5.8375 -5.8118 -5.8111 -0.8893 -0.8844 0.8717 0.8827 1.1856 1.1889 6.1082 6.1091 6.3736 6.3756 6.5392 6.5412 7.6193 7.6208 7.7134 7.7149 8.6865 8.6865 9.2801 9.2816 9.4401 9.4424 10.1558 10.1576 13.7348 13.7517 13.7565 13.7734 14.1614 14.1616 15.0893 15.0895 k =-0.4464 0.4456 0.0000 ( 2746 PWs) bands (ev): -46.2851 -46.2851 -22.9888 -22.9888 -22.3524 -22.3524 -22.3116 -22.3116 -14.2761 -14.2761 -6.2631 -6.2623 -5.8399 -5.8378 -5.8167 -5.8156 -0.8907 -0.8865 0.8669 0.8763 1.1875 1.1903 6.0906 6.0914 6.3511 6.3529 6.5230 6.5247 7.6192 7.6208 7.6995 7.7010 8.6717 8.6718 9.3004 9.3018 9.4498 9.4519 10.1669 10.1685 13.7505 13.7669 13.7696 13.7860 14.1771 14.1773 15.0931 15.0932 k =-0.4554 0.4545 0.0000 ( 2744 PWs) bands (ev): -46.2851 -46.2851 -22.9890 -22.9890 -22.3528 -22.3528 -22.3117 -22.3116 -14.2748 -14.2748 -6.2517 -6.2509 -5.8412 -5.8389 -5.8208 -5.8194 -0.8919 -0.8884 0.8629 0.8707 1.1892 1.1915 6.0753 6.0761 6.3322 6.3338 6.5093 6.5107 7.6201 7.6217 7.6868 7.6883 8.6592 8.6592 9.3170 9.3181 9.4596 9.4614 10.1764 10.1778 13.7639 13.7772 13.7833 13.7966 14.1904 14.1905 15.0963 15.0964 k =-0.4643 0.4634 0.0000 ( 2744 PWs) bands (ev): -46.2851 -46.2851 -22.9892 -22.9892 -22.3531 -22.3531 -22.3118 -22.3117 -14.2737 -14.2737 -6.2418 -6.2411 -5.8429 -5.8407 -5.8236 -5.8221 -0.8928 -0.8901 0.8596 0.8659 1.1907 1.1925 6.0626 6.0633 6.3170 6.3183 6.4981 6.4992 7.6219 7.6235 7.6752 7.6768 8.6489 8.6489 9.3298 9.3307 9.4689 9.4704 10.1844 10.1855 13.7749 13.7851 13.7951 13.8053 14.2013 14.2014 15.0988 15.0989 k =-0.4732 0.4724 0.0000 ( 2738 PWs) bands (ev): -46.2851 -46.2851 -22.9894 -22.9893 -22.3533 -22.3533 -22.3118 -22.3118 -14.2729 -14.2729 -6.2337 -6.2332 -5.8449 -5.8431 -5.8252 -5.8240 -0.8935 -0.8915 0.8572 0.8619 1.1919 1.1933 6.0526 6.0531 6.3053 6.3063 6.4893 6.4902 7.6246 7.6262 7.6649 7.6665 8.6408 8.6408 9.3393 9.3400 9.4771 9.4782 10.1906 10.1915 13.7837 13.7910 13.8046 13.8119 14.2097 14.2098 15.1008 15.1008 k =-0.4821 0.4813 0.0000 ( 2740 PWs) bands (ev): -46.2851 -46.2851 -22.9895 -22.9895 -22.3535 -22.3535 -22.3118 -22.3118 -14.2723 -14.2723 -6.2277 -6.2274 -5.8466 -5.8453 -5.8260 -5.8251 -0.8939 -0.8926 0.8557 0.8588 1.1928 1.1937 6.0454 6.0458 6.2970 6.2977 6.4831 6.4837 7.6282 7.6298 7.6559 7.6575 8.6350 8.6351 9.3458 9.3463 9.4835 9.4842 10.1952 10.1958 13.7902 13.7949 13.8117 13.8164 14.2158 14.2158 15.1022 15.1022 k =-0.4911 0.4902 0.0000 ( 2740 PWs) bands (ev): -46.2851 -46.2851 -22.9895 -22.9895 -22.3536 -22.3536 -22.3118 -22.3118 -14.2719 -14.2719 -6.2240 -6.2238 -5.8477 -5.8470 -5.8263 -5.8258 -0.8940 -0.8934 0.8551 0.8566 1.1935 1.1940 6.0411 6.0413 6.2921 6.2925 6.4794 6.4797 7.6325 7.6339 7.6486 7.6500 8.6316 8.6316 9.3496 9.3498 9.4876 9.4879 10.1980 10.1983 13.7945 13.7969 13.8164 13.8187 14.2194 14.2194 15.1030 15.1030 k =-0.5000 0.4991 0.0000 ( 2744 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3537 -22.3537 -22.3119 -22.3119 -14.2718 -14.2718 -6.2227 -6.2227 -5.8479 -5.8479 -5.8262 -5.8262 -0.8939 -0.8939 0.8554 0.8554 1.1939 1.1939 6.0397 6.0397 6.2906 6.2906 6.4783 6.4783 7.6360 7.6360 7.6454 7.6454 8.6304 8.6304 9.3509 9.3509 9.4891 9.4891 10.1991 10.1991 13.7967 13.7967 13.8187 13.8187 14.2206 14.2206 15.1033 15.1033 k =-0.5000 0.4991 0.0000 ( 2744 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3537 -22.3537 -22.3119 -22.3119 -14.2718 -14.2718 -6.2227 -6.2227 -5.8479 -5.8479 -5.8262 -5.8262 -0.8939 -0.8939 0.8554 0.8554 1.1939 1.1939 6.0397 6.0397 6.2906 6.2906 6.4783 6.4783 7.6360 7.6360 7.6454 7.6454 8.6304 8.6304 9.3509 9.3509 9.4891 9.4891 10.1991 10.1991 13.7967 13.7967 13.8187 13.8187 14.2206 14.2206 15.1033 15.1033 k =-0.4991 0.5000-0.0000 ( 2744 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3537 -22.3537 -22.3119 -22.3119 -14.2718 -14.2718 -6.2227 -6.2227 -5.8479 -5.8479 -5.8262 -5.8262 -0.8939 -0.8939 0.8554 0.8554 1.1939 1.1939 6.0397 6.0397 6.2906 6.2906 6.4783 6.4783 7.6360 7.6360 7.6455 7.6455 8.6304 8.6304 9.3509 9.3509 9.4891 9.4891 10.1991 10.1991 13.7967 13.7967 13.8187 13.8187 14.2206 14.2206 15.1033 15.1033 k =-0.4991 0.5000-0.0000 ( 2744 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3537 -22.3537 -22.3119 -22.3119 -14.2718 -14.2718 -6.2227 -6.2227 -5.8479 -5.8479 -5.8262 -5.8262 -0.8939 -0.8939 0.8554 0.8554 1.1939 1.1939 6.0397 6.0397 6.2906 6.2906 6.4783 6.4783 7.6360 7.6360 7.6455 7.6455 8.6304 8.6304 9.3509 9.3509 9.4891 9.4891 10.1991 10.1991 13.7967 13.7967 13.8187 13.8187 14.2206 14.2206 15.1033 15.1033 k =-0.4991 0.5000 0.0126 ( 2740 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3537 -22.3537 -22.3119 -22.3119 -14.2717 -14.2717 -6.2219 -6.2218 -5.8477 -5.8475 -5.8260 -5.8259 -0.8959 -0.8939 0.8542 0.8542 1.1904 1.1932 6.0397 6.0397 6.2931 6.2940 6.4783 6.4783 7.6361 7.6371 7.6463 7.6463 8.6257 8.6257 9.3517 9.3523 9.4897 9.4897 10.1992 10.1992 13.7976 13.7977 13.8196 13.8196 14.2210 14.2210 15.1085 15.1086 k =-0.4991 0.5000 0.0251 ( 2740 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3536 -22.3536 -22.3121 -22.3121 -14.2714 -14.2714 -6.2196 -6.2193 -5.8469 -5.8466 -5.8254 -5.8251 -0.9001 -0.8961 0.8506 0.8507 1.1828 1.1883 6.0398 6.0398 6.3015 6.3032 6.4784 6.4784 7.6374 7.6394 7.6488 7.6490 8.6114 8.6115 9.3546 9.3559 9.4915 9.4916 10.1995 10.1995 13.8003 13.8005 13.8222 13.8223 14.2221 14.2221 15.1242 15.1243 k =-0.4991 0.5000 0.0377 ( 2736 PWs) bands (ev): -46.2851 -46.2851 -22.9897 -22.9897 -22.3536 -22.3536 -22.3124 -22.3123 -14.2709 -14.2709 -6.2156 -6.2152 -5.8456 -5.8451 -5.8243 -5.8239 -0.9063 -0.9004 0.8446 0.8447 1.1711 1.1793 6.0399 6.0399 6.3156 6.3181 6.4784 6.4784 7.6394 7.6427 7.6533 7.6538 8.5880 8.5880 9.3598 9.3616 9.4946 9.4948 10.2000 10.2001 13.8048 13.8052 13.8266 13.8267 14.2239 14.2239 15.1502 15.1503 k =-0.4991 0.5000 0.0502 ( 2736 PWs) bands (ev): -46.2851 -46.2851 -22.9899 -22.9898 -22.3536 -22.3536 -22.3128 -22.3127 -14.2702 -14.2702 -6.2101 -6.2095 -5.8437 -5.8431 -5.8227 -5.8222 -0.9146 -0.9068 0.8363 0.8364 1.1555 1.1662 6.0400 6.0401 6.3353 6.3385 6.4785 6.4785 7.6421 7.6464 7.6600 7.6606 8.5557 8.5558 9.3671 9.3695 9.4990 9.4992 10.2008 10.2009 13.8111 13.8116 13.8327 13.8329 14.2264 14.2265 15.1860 15.1862 k =-0.4991 0.5000 0.0628 ( 2736 PWs) bands (ev): -46.2850 -46.2850 -22.9900 -22.9900 -22.3536 -22.3536 -22.3133 -22.3132 -14.2693 -14.2693 -6.2029 -6.2023 -5.8413 -5.8406 -5.8207 -5.8201 -0.9248 -0.9151 0.8257 0.8259 1.1362 1.1494 6.0402 6.0402 6.3604 6.3642 6.4786 6.4787 7.6452 7.6506 7.6687 7.6695 8.5150 8.5151 9.3766 9.3796 9.5048 9.5050 10.2018 10.2019 13.8192 13.8198 13.8405 13.8407 14.2297 14.2297 15.2312 15.2314 k =-0.4991 0.5000 0.0753 ( 2750 PWs) bands (ev): -46.2850 -46.2850 -22.9903 -22.9902 -22.3535 -22.3535 -22.3139 -22.3139 -14.2682 -14.2682 -6.1943 -6.1935 -5.8384 -5.8376 -5.8183 -5.8175 -0.9370 -0.9255 0.8129 0.8132 1.1133 1.1289 6.0403 6.0404 6.3907 6.3949 6.4788 6.4789 7.6488 7.6552 7.6793 7.6802 8.4666 8.4667 9.3883 9.3918 9.5119 9.5122 10.2029 10.2031 13.8290 13.8297 13.8500 13.8503 14.2336 14.2337 15.2852 15.2855 k =-0.4991 0.5000 0.0879 ( 2754 PWs) bands (ev): -46.2850 -46.2850 -22.9905 -22.9905 -22.3535 -22.3535 -22.3147 -22.3146 -14.2669 -14.2669 -6.1842 -6.1832 -5.8350 -5.8340 -5.8154 -5.8146 -0.9509 -0.9377 0.7981 0.7985 1.0873 1.1051 6.0405 6.0406 6.4257 6.4301 6.4790 6.4794 7.6528 7.6602 7.6915 7.6925 8.4111 8.4112 9.4021 9.4062 9.5205 9.5208 10.2043 10.2045 13.8405 13.8412 13.8612 13.8614 14.2382 14.2383 15.3472 15.3476 k =-0.4991 0.5000 0.1004 ( 2754 PWs) bands (ev): -46.2850 -46.2850 -22.9908 -22.9908 -22.3534 -22.3534 -22.3155 -22.3154 -14.2655 -14.2655 -6.1727 -6.1715 -5.8311 -5.8300 -5.8122 -5.8112 -0.9666 -0.9518 0.7814 0.7818 1.0582 1.0781 6.0407 6.0408 6.4652 6.4678 6.4792 6.4817 7.6571 7.6655 7.7051 7.7061 8.3494 8.3495 9.4182 9.4227 9.5306 9.5309 10.2059 10.2061 13.8536 13.8544 13.8739 13.8742 14.2434 14.2435 15.4167 15.4171 k =-0.4991 0.5000 0.1130 ( 2756 PWs) bands (ev): -46.2850 -46.2850 -22.9911 -22.9911 -22.3534 -22.3534 -22.3163 -22.3163 -14.2639 -14.2639 -6.1598 -6.1585 -5.8267 -5.8255 -5.8085 -5.8074 -0.9839 -0.9675 0.7628 0.7632 1.0265 1.0482 6.0408 6.0410 6.4783 6.4793 6.5090 6.5153 7.6616 7.6709 7.7196 7.7207 8.2824 8.2824 9.4365 9.4413 9.5423 9.5427 10.2076 10.2078 13.8682 13.8691 13.8881 13.8885 14.2492 14.2494 15.4927 15.4931 k =-0.4991 0.5000 0.1255 ( 2756 PWs) bands (ev): -46.2849 -46.2849 -22.9915 -22.9914 -22.3533 -22.3533 -22.3173 -22.3172 -14.2621 -14.2621 -6.1456 -6.1441 -5.8219 -5.8205 -5.8045 -5.8032 -1.0027 -0.9849 0.7425 0.7430 0.9924 1.0159 6.0409 6.0411 6.4790 6.4796 6.5562 6.5621 7.6661 7.6763 7.7348 7.7359 8.2110 8.2110 9.4569 9.4621 9.5557 9.5561 10.2096 10.2098 13.8843 13.8853 13.9038 13.9042 14.2556 14.2558 15.5744 15.5749 k =-0.4991 0.5000 0.1381 ( 2758 PWs) bands (ev): -46.2849 -46.2849 -22.9918 -22.9917 -22.3533 -22.3533 -22.3184 -22.3183 -14.2602 -14.2602 -6.1302 -6.1285 -5.8166 -5.8152 -5.8001 -5.7987 -1.0229 -1.0037 0.7207 0.7212 0.9563 0.9813 6.0410 6.0412 6.4794 6.4799 6.6068 6.6123 7.6702 7.6813 7.7499 7.7512 8.1365 8.1367 9.4795 9.4849 9.5708 9.5712 10.2116 10.2119 13.9018 13.9028 13.9209 13.9213 14.2625 14.2627 15.6610 15.6616 k =-0.4991 0.5000 0.1506 ( 2750 PWs) bands (ev): -46.2849 -46.2849 -22.9922 -22.9921 -22.3532 -22.3532 -22.3194 -22.3193 -14.2582 -14.2582 -6.1136 -6.1118 -5.8110 -5.8094 -5.7954 -5.7938 -1.0443 -1.0239 0.6975 0.6981 0.9185 0.9448 6.0409 6.0412 6.4798 6.4802 6.6601 6.6652 7.6735 7.6855 7.7642 7.7656 8.0609 8.0613 9.5041 9.5097 9.5876 9.5881 10.2139 10.2142 13.9206 13.9217 13.9394 13.9397 14.2699 14.2702 15.7516 15.7523 k =-0.4991 0.5000 0.1632 ( 2748 PWs) bands (ev): -46.2849 -46.2849 -22.9926 -22.9925 -22.3531 -22.3531 -22.3206 -22.3205 -14.2560 -14.2560 -6.0960 -6.0940 -5.8049 -5.8033 -5.7904 -5.7886 -1.0667 -1.0453 0.6731 0.6738 0.8793 0.9067 6.0407 6.0410 6.4802 6.4806 6.7157 6.7204 7.6749 7.6876 7.7757 7.7773 7.9877 7.9884 9.5307 9.5364 9.6063 9.6068 10.2163 10.2166 13.9407 13.9417 13.9590 13.9593 14.2778 14.2781 15.8455 15.8462 k =-0.4991 0.5000 0.1757 ( 2748 PWs) bands (ev): -46.2848 -46.2848 -22.9930 -22.9929 -22.3530 -22.3530 -22.3218 -22.3217 -14.2537 -14.2537 -6.0774 -6.0752 -5.7986 -5.7969 -5.7851 -5.7832 -1.0902 -1.0678 0.6477 0.6484 0.8390 0.8673 6.0403 6.0406 6.4806 6.4810 6.7731 6.7771 7.6715 7.6841 7.7802 7.7814 7.9248 7.9262 9.5592 9.5650 9.6269 9.6274 10.2187 10.2192 13.9618 13.9628 13.9798 13.9801 14.2860 14.2864 15.9416 15.9425 k =-0.4991 0.5000 0.1883 ( 2744 PWs) bands (ev): -46.2848 -46.2848 -22.9934 -22.9934 -22.3529 -22.3529 -22.3231 -22.3230 -14.2514 -14.2514 -6.0580 -6.0556 -5.7919 -5.7902 -5.7795 -5.7775 -1.1144 -1.0912 0.6213 0.6221 0.7980 0.8270 6.0397 6.0400 6.4810 6.4814 6.8319 6.8351 7.6557 7.6661 7.7702 7.7719 7.8882 7.8899 9.5896 9.5953 9.6493 9.6498 10.2213 10.2218 13.9839 13.9850 14.0016 14.0019 14.2946 14.2951 16.0393 16.0403 k =-0.4991 0.5000 0.2008 ( 2750 PWs) bands (ev): -46.2847 -46.2847 -22.9939 -22.9938 -22.3528 -22.3528 -22.3244 -22.3243 -14.2489 -14.2489 -6.0378 -6.0352 -5.7851 -5.7833 -5.7737 -5.7715 -1.1393 -1.1154 0.5943 0.5952 0.7564 0.7859 6.0388 6.0391 6.4815 6.4818 6.8915 6.8938 7.6149 7.6209 7.7531 7.7607 7.8815 7.8828 9.6216 9.6273 9.6735 9.6741 10.2240 10.2246 14.0069 14.0080 14.0244 14.0246 14.3035 14.3040 16.1375 16.1387 k =-0.4991 0.5000 0.2134 ( 2748 PWs) bands (ev): -46.2847 -46.2847 -22.9944 -22.9943 -22.3527 -22.3527 -22.3258 -22.3257 -14.2464 -14.2464 -6.0170 -6.0142 -5.7780 -5.7762 -5.7677 -5.7654 -1.1646 -1.1402 0.5668 0.5677 0.7147 0.7445 6.0376 6.0379 6.4819 6.4823 6.9515 6.9527 7.5499 7.5530 7.7458 7.7577 7.8889 7.8896 9.6552 9.6607 9.6995 9.7002 10.2268 10.2274 14.0307 14.0318 14.0479 14.0481 14.3127 14.3133 16.2355 16.2369 k =-0.4991 0.5000 0.2260 ( 2744 PWs) bands (ev): -46.2847 -46.2847 -22.9949 -22.9948 -22.3526 -22.3526 -22.3271 -22.3270 -14.2438 -14.2438 -5.9957 -5.9926 -5.7707 -5.7690 -5.7615 -5.7590 -1.1902 -1.1655 0.5389 0.5399 0.6731 0.7030 6.0359 6.0363 6.4824 6.4828 7.0112 7.0113 7.4731 7.4750 7.7459 7.7604 7.9007 7.9012 9.6901 9.6954 9.7272 9.7279 10.2296 10.2303 14.0551 14.0562 14.0722 14.0724 14.3220 14.3227 16.3323 16.3340 k =-0.4991 0.5000 0.2385 ( 2744 PWs) bands (ev): -46.2846 -46.2846 -22.9954 -22.9953 -22.3525 -22.3525 -22.3285 -22.3284 -14.2412 -14.2412 -5.9740 -5.9707 -5.7633 -5.7618 -5.7551 -5.7525 -1.2160 -1.1911 0.5108 0.5120 0.6317 0.6615 6.0338 6.0342 6.4829 6.4833 7.0689 7.0703 7.3921 7.3934 7.7495 7.7658 7.9139 7.9142 9.7262 9.7313 9.7565 9.7573 10.2325 10.2333 14.0801 14.0812 14.0970 14.0972 14.3314 14.3322 16.4270 16.4291 k =-0.4991 0.5000 0.2511 ( 2752 PWs) bands (ev): -46.2846 -46.2846 -22.9959 -22.9958 -22.3524 -22.3524 -22.3299 -22.3298 -14.2386 -14.2386 -5.9521 -5.9485 -5.7559 -5.7546 -5.7484 -5.7459 -1.2419 -1.2168 0.4828 0.4840 0.5910 0.6205 6.0311 6.0314 6.4835 6.4838 7.1249 7.1280 7.3103 7.3115 7.7553 7.7729 7.9272 7.9274 9.7632 9.7680 9.7872 9.7881 10.2353 10.2363 14.1054 14.1066 14.1224 14.1224 14.3410 14.3418 16.5185 16.5211 k =-0.4991 0.5000 0.2636 ( 2752 PWs) bands (ev): -46.2845 -46.2845 -22.9964 -22.9963 -22.3523 -22.3523 -22.3313 -22.3312 -14.2360 -14.2360 -5.9300 -5.9261 -5.7484 -5.7476 -5.7416 -5.7392 -1.2675 -1.2425 0.4549 0.4562 0.5510 0.5800 6.0277 6.0280 6.4840 6.4843 7.1767 7.1824 7.2309 7.2330 7.7625 7.7814 7.9401 7.9402 9.8009 9.8055 9.8191 9.8202 10.2382 10.2393 14.1311 14.1323 14.1480 14.1480 14.3505 14.3514 16.6058 16.6089 k =-0.4991 0.5000 0.2762 ( 2752 PWs) bands (ev): -46.2845 -46.2845 -22.9969 -22.9968 -22.3523 -22.3522 -22.3326 -22.3325 -14.2334 -14.2334 -5.9080 -5.9037 -5.7410 -5.7408 -5.7346 -5.7324 -1.2928 -1.2681 0.4273 0.4288 0.5120 0.5404 6.0235 6.0238 6.4845 6.4848 7.1470 7.1479 7.2356 7.2399 7.7711 7.7911 7.9523 7.9524 9.8391 9.8434 9.8521 9.8533 10.2411 10.2423 14.1569 14.1581 14.1738 14.1738 14.3600 14.3610 16.6876 16.6915 k =-0.4991 0.5000 0.2887 ( 2748 PWs) bands (ev): -46.2845 -46.2845 -22.9974 -22.9973 -22.3522 -22.3521 -22.3339 -22.3338 -14.2308 -14.2308 -5.8862 -5.8815 -5.7342 -5.7337 -5.7274 -5.7255 -1.3177 -1.2934 0.4002 0.4018 0.4742 0.5017 6.0184 6.0187 6.4851 6.4853 7.0718 7.0721 7.2835 7.2901 7.7812 7.8022 7.9636 7.9637 9.8775 9.8815 9.8859 9.8874 10.2440 10.2453 14.1827 14.1839 14.1996 14.1996 14.3694 14.3705 16.7626 16.7674 k =-0.4991 0.5000 0.3013 ( 2748 PWs) bands (ev): -46.2844 -46.2844 -22.9979 -22.9978 -22.3521 -22.3521 -22.3353 -22.3352 -14.2283 -14.2282 -5.8647 -5.8596 -5.7278 -5.7266 -5.7202 -5.7186 -1.3419 -1.3182 0.3738 0.3755 0.4378 0.4643 6.0123 6.0126 6.4856 6.4859 6.9990 6.9991 7.3291 7.3373 7.7930 7.8147 7.9741 7.9742 9.9156 9.9195 9.9202 9.9221 10.2468 10.2482 14.2083 14.2096 14.2253 14.2254 14.3786 14.3798 16.8294 16.8354 k =-0.4991 0.5000 0.3138 ( 2750 PWs) bands (ev): -46.2844 -46.2844 -22.9984 -22.9983 -22.3520 -22.3520 -22.3365 -22.3365 -14.2258 -14.2258 -5.8437 -5.8381 -5.7217 -5.7197 -5.7131 -5.7117 -1.3654 -1.3423 0.3481 0.3501 0.4029 0.4282 6.0051 6.0054 6.4861 6.4864 6.9299 6.9300 7.3711 7.3805 7.8067 7.8288 7.9836 7.9837 9.9528 9.9545 9.9574 9.9576 10.2495 10.2512 14.2337 14.2350 14.2507 14.2508 14.3875 14.3889 16.8867 16.8942 k =-0.4991 0.5000 0.3264 ( 2752 PWs) bands (ev): -46.2844 -46.2844 -22.9989 -22.9988 -22.3519 -22.3519 -22.3378 -22.3377 -14.2234 -14.2234 -5.8232 -5.8171 -5.7158 -5.7130 -5.7061 -5.7049 -1.3880 -1.3658 0.3233 0.3255 0.3697 0.3936 5.9966 5.9970 6.4867 6.4869 6.8652 6.8653 7.4088 7.4193 7.8224 7.8447 7.9922 7.9924 9.9886 9.9889 9.9939 9.9945 10.2521 10.2540 14.2587 14.2600 14.2757 14.2759 14.3962 14.3977 16.9337 16.9428 k =-0.4991 0.5000 0.3389 ( 2752 PWs) bands (ev): -46.2843 -46.2843 -22.9993 -22.9992 -22.3519 -22.3518 -22.3390 -22.3389 -14.2211 -14.2211 -5.8036 -5.7969 -5.7101 -5.7066 -5.6992 -5.6982 -1.4096 -1.3883 0.2995 0.3021 0.3384 0.3608 5.9870 5.9874 6.4872 6.4874 6.8052 6.8054 7.4422 7.4532 7.8402 7.8622 7.9999 8.0001 10.0228 10.0233 10.0300 10.0307 10.2547 10.2568 14.2830 14.2844 14.3001 14.3003 14.4046 14.4062 16.9701 16.9809 k =-0.4991 0.5000 0.3515 ( 2760 PWs) bands (ev): -46.2843 -46.2843 -22.9998 -22.9997 -22.3518 -22.3518 -22.3401 -22.3400 -14.2189 -14.2189 -5.7850 -5.7775 -5.7048 -5.7004 -5.6927 -5.6916 -1.4300 -1.4098 0.2768 0.2798 0.3092 0.3297 5.9761 5.9765 6.4877 6.4879 6.7505 6.7506 7.4710 7.4822 7.8600 7.8812 8.0067 8.0070 10.0559 10.0568 10.0652 10.0658 10.2571 10.2595 14.3066 14.3080 14.3238 14.3240 14.4126 14.4143 16.9963 17.0091 k =-0.4991 0.5000 0.3640 ( 2764 PWs) bands (ev): -46.2843 -46.2843 -23.0002 -23.0002 -22.3518 -22.3517 -22.3412 -22.3411 -14.2168 -14.2168 -5.7674 -5.7590 -5.6997 -5.6945 -5.6865 -5.6853 -1.4491 -1.4302 0.2554 0.2588 0.2821 0.3006 5.9641 5.9644 6.4881 6.4883 6.7011 6.7012 7.4956 7.5064 7.8814 7.9014 8.0127 8.0130 10.0879 10.0892 10.0990 10.0993 10.2594 10.2622 14.3292 14.3307 14.3465 14.3468 14.4202 14.4220 17.0138 17.0284 k =-0.4991 0.5000 0.3766 ( 2772 PWs) bands (ev): -46.2842 -46.2842 -23.0007 -23.0006 -22.3518 -22.3517 -22.3422 -22.3421 -14.2148 -14.2148 -5.7511 -5.7418 -5.6949 -5.6888 -5.6806 -5.6792 -1.4669 -1.4493 0.2352 0.2393 0.2573 0.2735 5.9510 5.9513 6.4886 6.4887 6.6571 6.6572 7.5160 7.5263 7.9038 7.9222 8.0179 8.0183 10.1184 10.1201 10.1311 10.1311 10.2616 10.2648 14.3507 14.3523 14.3680 14.3684 14.4272 14.4293 17.0240 17.0405 k =-0.4991 0.5000 0.3891 ( 2770 PWs) bands (ev): -46.2842 -46.2842 -23.0010 -23.0009 -22.3517 -22.3517 -22.3431 -22.3430 -14.2130 -14.2130 -5.7362 -5.7257 -5.6904 -5.6834 -5.6752 -5.6734 -1.4832 -1.4670 0.2164 0.2213 0.2350 0.2486 5.9373 5.9376 6.4890 6.4891 6.6186 6.6187 7.5329 7.5423 7.9265 7.9431 8.0224 8.0229 10.1470 10.1492 10.1607 10.1611 10.2636 10.2673 14.3709 14.3725 14.3882 14.3887 14.4338 14.4361 17.0286 17.0471 k =-0.4991 0.5000 0.4017 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0013 -23.0013 -22.3516 -22.3516 -22.3439 -22.3438 -14.2114 -14.2114 -5.7230 -5.7112 -5.6862 -5.6781 -5.6702 -5.6680 -1.4979 -1.4832 0.1990 0.2049 0.2152 0.2260 5.9231 5.9234 6.4894 6.4895 6.5854 6.5855 7.5467 7.5551 7.9488 7.9634 8.0263 8.0269 10.1735 10.1762 10.1880 10.1888 10.2655 10.2699 14.3896 14.3913 14.4068 14.4075 14.4399 14.4425 17.0293 17.0495 k =-0.4991 0.5000 0.4142 ( 2764 PWs) bands (ev): -46.2842 -46.2842 -23.0016 -23.0015 -22.3516 -22.3516 -22.3446 -22.3445 -14.2099 -14.2099 -5.7115 -5.6985 -5.6821 -5.6732 -5.6657 -5.6630 -1.5110 -1.4979 0.1831 0.1902 0.1981 0.2058 5.9091 5.9093 6.4897 6.4898 6.5572 6.5573 7.5578 7.5651 7.9701 7.9825 8.0295 8.0303 10.1974 10.2007 10.2126 10.2138 10.2673 10.2726 14.4065 14.4085 14.4236 14.4244 14.4455 14.4485 17.0272 17.0492 k =-0.4991 0.5000 0.4268 ( 2766 PWs) bands (ev): -46.2842 -46.2842 -23.0019 -23.0018 -22.3516 -22.3516 -22.3452 -22.3452 -14.2086 -14.2086 -5.7018 -5.6884 -5.6774 -5.6685 -5.6617 -5.6583 -1.5223 -1.5110 0.1689 0.1771 0.1835 0.1882 5.8956 5.8958 6.4900 6.4901 6.5337 6.5338 7.5667 7.5728 7.9898 7.9999 8.0322 8.0333 10.2182 10.2225 10.2342 10.2359 10.2692 10.2757 14.4216 14.4238 14.4380 14.4390 14.4511 14.4545 17.0233 17.0468 k =-0.4991 0.5000 0.4394 ( 2772 PWs) bands (ev): -46.2841 -46.2841 -23.0021 -23.0021 -22.3516 -22.3516 -22.3458 -22.3457 -14.2075 -14.2075 -5.6940 -5.6821 -5.6710 -5.6642 -5.6582 -5.6540 -1.5318 -1.5223 0.1568 0.1655 0.1713 0.1734 5.8831 5.8833 6.4903 6.4904 6.5147 6.5147 7.5737 7.5787 8.0073 8.0150 8.0344 8.0359 10.2355 10.2412 10.2523 10.2543 10.2717 10.2797 14.4344 14.4371 14.4492 14.4494 14.4581 14.4612 17.0184 17.0427 k =-0.4991 0.5000 0.4519 ( 2784 PWs) bands (ev): -46.2841 -46.2841 -23.0023 -23.0023 -22.3517 -22.3516 -22.3463 -22.3463 -14.2066 -14.2066 -5.6879 -5.6787 -5.6640 -5.6605 -5.6551 -5.6503 -1.5395 -1.5318 0.1468 0.1551 0.1614 0.1618 5.8722 5.8724 6.4905 6.4906 6.4996 6.4997 7.5791 7.5831 8.0222 8.0268 8.0361 8.0388 10.2486 10.2559 10.2666 10.2669 10.2774 10.2851 14.4447 14.4482 14.4549 14.4567 14.4672 14.4690 17.0134 17.0372 k =-0.4991 0.5000 0.4645 ( 2792 PWs) bands (ev): -46.2841 -46.2841 -23.0025 -23.0025 -22.3517 -22.3517 -22.3467 -22.3467 -14.2059 -14.2059 -5.6832 -5.6768 -5.6584 -5.6575 -5.6522 -5.6473 -1.5453 -1.5395 0.1392 0.1460 0.1534 0.1537 5.8633 5.8634 6.4883 6.4883 6.4907 6.4907 7.5832 7.5862 8.0340 8.0344 8.0374 8.0432 10.2573 10.2641 10.2747 10.2771 10.2873 10.2919 14.4522 14.4563 14.4587 14.4620 14.4755 14.4765 17.0090 17.0303 k =-0.4991 0.5000 0.4770 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0026 -22.3517 -22.3517 -22.3470 -22.3470 -14.2053 -14.2053 -5.6799 -5.6758 -5.6553 -5.6550 -5.6491 -5.6452 -1.5492 -1.5453 0.1340 0.1387 0.1479 0.1482 5.8566 5.8567 6.4804 6.4804 6.4908 6.4908 7.5862 7.5881 8.0369 8.0382 8.0436 8.0485 10.2625 10.2667 10.2823 10.2843 10.2959 10.2982 14.4569 14.4594 14.4641 14.4662 14.4818 14.4823 17.0061 17.0219 k =-0.4991 0.5000 0.4896 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3517 -22.3517 -22.3471 -22.3471 -14.2050 -14.2050 -5.6775 -5.6756 -5.6538 -5.6535 -5.6463 -5.6443 -1.5512 -1.5492 0.1314 0.1338 0.1447 0.1449 5.8525 5.8525 6.4757 6.4758 6.4909 6.4909 7.5881 7.5891 8.0381 8.0386 8.0495 8.0518 10.2653 10.2672 10.2876 10.2886 10.3014 10.3024 14.4594 14.4605 14.4680 14.4689 14.4857 14.4859 17.0057 17.0147 k =-0.4991 0.5000 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3517 -22.3517 -22.3472 -22.3472 -14.2049 -14.2049 -5.6762 -5.6762 -5.6532 -5.6532 -5.6446 -5.6446 -1.5512 -1.5512 0.1313 0.1313 0.1437 0.1437 5.8511 5.8511 6.4742 6.4742 6.4909 6.4909 7.5890 7.5890 8.0386 8.0386 8.0522 8.0522 10.2668 10.2668 10.2897 10.2897 10.3036 10.3036 14.4605 14.4605 14.4696 14.4696 14.4870 14.4870 17.0084 17.0103 k =-0.4991 0.5000 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3517 -22.3517 -22.3472 -22.3472 -14.2049 -14.2049 -5.6762 -5.6762 -5.6532 -5.6532 -5.6446 -5.6446 -1.5512 -1.5512 0.1313 0.1313 0.1437 0.1437 5.8511 5.8511 6.4742 6.4742 6.4909 6.4909 7.5890 7.5890 8.0386 8.0386 8.0522 8.0522 10.2668 10.2668 10.2897 10.2897 10.3036 10.3036 14.4605 14.4605 14.4696 14.4696 14.4870 14.4870 17.0084 17.0084 k =-0.5000 0.4991 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3517 -22.3517 -22.3472 -22.3472 -14.2049 -14.2049 -5.6762 -5.6762 -5.6532 -5.6532 -5.6446 -5.6446 -1.5512 -1.5512 0.1313 0.1313 0.1437 0.1437 5.8511 5.8511 6.4742 6.4742 6.4909 6.4909 7.5890 7.5890 8.0386 8.0386 8.0522 8.0522 10.2668 10.2668 10.2898 10.2898 10.3036 10.3036 14.4605 14.4605 14.4696 14.4696 14.4870 14.4870 17.0084 17.0092 k =-0.5000 0.4991 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3517 -22.3517 -22.3472 -22.3472 -14.2049 -14.2049 -5.6762 -5.6762 -5.6532 -5.6532 -5.6446 -5.6446 -1.5512 -1.5512 0.1313 0.1313 0.1437 0.1437 5.8511 5.8511 6.4742 6.4742 6.4909 6.4909 7.5890 7.5890 8.0386 8.0386 8.0522 8.0522 10.2668 10.2668 10.2898 10.2898 10.3036 10.3036 14.4605 14.4605 14.4696 14.4696 14.4870 14.4870 17.0093 17.0159 k =-0.5000 0.4991 0.4896 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3517 -22.3517 -22.3471 -22.3471 -14.2050 -14.2050 -5.6775 -5.6756 -5.6538 -5.6535 -5.6463 -5.6443 -1.5512 -1.5492 0.1314 0.1338 0.1447 0.1448 5.8525 5.8525 6.4757 6.4757 6.4909 6.4909 7.5881 7.5891 8.0381 8.0386 8.0495 8.0518 10.2653 10.2673 10.2876 10.2886 10.3014 10.3024 14.4594 14.4605 14.4680 14.4689 14.4857 14.4859 17.0072 17.0144 k =-0.5000 0.4991 0.4770 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0026 -22.3517 -22.3517 -22.3470 -22.3470 -14.2053 -14.2053 -5.6799 -5.6758 -5.6552 -5.6550 -5.6491 -5.6452 -1.5492 -1.5453 0.1340 0.1387 0.1479 0.1482 5.8566 5.8567 6.4804 6.4804 6.4908 6.4908 7.5862 7.5881 8.0369 8.0382 8.0436 8.0485 10.2625 10.2667 10.2823 10.2843 10.2959 10.2982 14.4569 14.4594 14.4641 14.4662 14.4818 14.4823 17.0061 17.0219 k =-0.5000 0.4991 0.4645 ( 2792 PWs) bands (ev): -46.2841 -46.2841 -23.0025 -23.0025 -22.3517 -22.3517 -22.3467 -22.3467 -14.2059 -14.2059 -5.6832 -5.6768 -5.6584 -5.6575 -5.6522 -5.6473 -1.5454 -1.5395 0.1392 0.1460 0.1534 0.1537 5.8632 5.8634 6.4883 6.4883 6.4907 6.4907 7.5832 7.5862 8.0340 8.0344 8.0373 8.0432 10.2574 10.2642 10.2747 10.2771 10.2873 10.2919 14.4522 14.4563 14.4587 14.4620 14.4756 14.4765 17.0089 17.0301 k =-0.5000 0.4991 0.4519 ( 2784 PWs) bands (ev): -46.2841 -46.2841 -23.0023 -23.0023 -22.3517 -22.3516 -22.3463 -22.3463 -14.2066 -14.2066 -5.6879 -5.6787 -5.6640 -5.6605 -5.6551 -5.6503 -1.5395 -1.5318 0.1468 0.1551 0.1613 0.1617 5.8722 5.8723 6.4905 6.4906 6.4996 6.4997 7.5791 7.5831 8.0223 8.0268 8.0361 8.0388 10.2486 10.2559 10.2666 10.2669 10.2774 10.2851 14.4447 14.4482 14.4549 14.4567 14.4672 14.4690 17.0133 17.0372 k =-0.5000 0.4991 0.4394 ( 2772 PWs) bands (ev): -46.2841 -46.2841 -23.0021 -23.0021 -22.3516 -22.3516 -22.3458 -22.3457 -14.2075 -14.2075 -5.6940 -5.6821 -5.6710 -5.6642 -5.6582 -5.6540 -1.5318 -1.5223 0.1568 0.1655 0.1712 0.1734 5.8831 5.8833 6.4903 6.4904 6.5147 6.5147 7.5737 7.5787 8.0073 8.0150 8.0344 8.0359 10.2355 10.2412 10.2524 10.2543 10.2717 10.2797 14.4344 14.4371 14.4492 14.4494 14.4581 14.4612 17.0184 17.0427 k =-0.5000 0.4991 0.4268 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0019 -23.0018 -22.3516 -22.3516 -22.3452 -22.3452 -14.2086 -14.2086 -5.7018 -5.6884 -5.6774 -5.6685 -5.6617 -5.6583 -1.5223 -1.5110 0.1689 0.1771 0.1835 0.1882 5.8956 5.8958 6.4900 6.4901 6.5337 6.5338 7.5667 7.5728 7.9898 7.9999 8.0322 8.0333 10.2182 10.2226 10.2342 10.2359 10.2692 10.2757 14.4216 14.4238 14.4380 14.4390 14.4511 14.4545 17.0232 17.0467 k =-0.5000 0.4991 0.4142 ( 2764 PWs) bands (ev): -46.2842 -46.2842 -23.0016 -23.0015 -22.3516 -22.3516 -22.3446 -22.3445 -14.2099 -14.2099 -5.7115 -5.6985 -5.6821 -5.6732 -5.6657 -5.6630 -1.5110 -1.4979 0.1831 0.1902 0.1981 0.2058 5.9091 5.9093 6.4897 6.4898 6.5572 6.5573 7.5578 7.5651 7.9701 7.9825 8.0295 8.0303 10.1974 10.2008 10.2126 10.2139 10.2673 10.2726 14.4065 14.4085 14.4236 14.4245 14.4456 14.4485 17.0271 17.0491 k =-0.5000 0.4991 0.4017 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0013 -23.0013 -22.3516 -22.3516 -22.3439 -22.3438 -14.2114 -14.2114 -5.7230 -5.7112 -5.6862 -5.6781 -5.6702 -5.6680 -1.4979 -1.4832 0.1990 0.2049 0.2152 0.2260 5.9231 5.9234 6.4894 6.4895 6.5854 6.5855 7.5467 7.5551 7.9489 7.9634 8.0263 8.0269 10.1735 10.1762 10.1880 10.1888 10.2655 10.2699 14.3896 14.3914 14.4068 14.4075 14.4399 14.4425 17.0293 17.0495 k =-0.5000 0.4991 0.3891 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0010 -23.0009 -22.3517 -22.3517 -22.3431 -22.3430 -14.2130 -14.2130 -5.7362 -5.7257 -5.6904 -5.6834 -5.6752 -5.6735 -1.4832 -1.4670 0.2164 0.2213 0.2350 0.2486 5.9372 5.9375 6.4890 6.4891 6.6186 6.6187 7.5329 7.5423 7.9265 7.9431 8.0224 8.0229 10.1470 10.1492 10.1607 10.1611 10.2636 10.2673 14.3709 14.3725 14.3882 14.3887 14.4338 14.4361 17.0286 17.0470 k =-0.5000 0.4991 0.3766 ( 2772 PWs) bands (ev): -46.2842 -46.2842 -23.0007 -23.0006 -22.3518 -22.3517 -22.3422 -22.3421 -14.2148 -14.2148 -5.7511 -5.7417 -5.6949 -5.6888 -5.6806 -5.6792 -1.4669 -1.4493 0.2352 0.2393 0.2573 0.2735 5.9510 5.9513 6.4886 6.4887 6.6571 6.6572 7.5160 7.5263 7.9038 7.9222 8.0179 8.0183 10.1184 10.1201 10.1311 10.1311 10.2616 10.2648 14.3507 14.3523 14.3680 14.3684 14.4272 14.4293 17.0239 17.0405 k =-0.5000 0.4991 0.3640 ( 2764 PWs) bands (ev): -46.2843 -46.2843 -23.0002 -23.0002 -22.3518 -22.3517 -22.3412 -22.3411 -14.2168 -14.2168 -5.7674 -5.7590 -5.6997 -5.6945 -5.6865 -5.6853 -1.4491 -1.4302 0.2554 0.2588 0.2820 0.3005 5.9640 5.9644 6.4881 6.4883 6.7011 6.7012 7.4956 7.5064 7.8814 7.9014 8.0127 8.0130 10.0879 10.0892 10.0990 10.0993 10.2594 10.2622 14.3292 14.3307 14.3465 14.3468 14.4202 14.4220 17.0137 17.0284 k =-0.5000 0.4991 0.3515 ( 2760 PWs) bands (ev): -46.2843 -46.2843 -22.9998 -22.9997 -22.3518 -22.3518 -22.3401 -22.3400 -14.2189 -14.2189 -5.7849 -5.7774 -5.7048 -5.7004 -5.6927 -5.6916 -1.4300 -1.4098 0.2769 0.2798 0.3091 0.3297 5.9761 5.9764 6.4877 6.4879 6.7505 6.7506 7.4710 7.4822 7.8600 7.8812 8.0067 8.0070 10.0559 10.0569 10.0652 10.0658 10.2571 10.2595 14.3066 14.3080 14.3238 14.3240 14.4126 14.4143 16.9963 17.0091 k =-0.5000 0.4991 0.3389 ( 2752 PWs) bands (ev): -46.2843 -46.2843 -22.9993 -22.9992 -22.3519 -22.3518 -22.3390 -22.3389 -14.2211 -14.2211 -5.8036 -5.7968 -5.7101 -5.7066 -5.6992 -5.6982 -1.4096 -1.3883 0.2995 0.3021 0.3384 0.3607 5.9870 5.9873 6.4872 6.4874 6.8052 6.8054 7.4422 7.4532 7.8402 7.8622 7.9999 8.0001 10.0228 10.0233 10.0300 10.0307 10.2547 10.2568 14.2830 14.2844 14.3001 14.3003 14.4046 14.4062 16.9700 16.9809 k =-0.5000 0.4991 0.3264 ( 2752 PWs) bands (ev): -46.2844 -46.2844 -22.9989 -22.9988 -22.3519 -22.3519 -22.3378 -22.3377 -14.2234 -14.2234 -5.8232 -5.8171 -5.7158 -5.7130 -5.7061 -5.7049 -1.3880 -1.3658 0.3233 0.3255 0.3697 0.3936 5.9966 5.9970 6.4867 6.4869 6.8652 6.8653 7.4089 7.4193 7.8224 7.8447 7.9922 7.9924 9.9887 9.9889 9.9939 9.9945 10.2521 10.2540 14.2587 14.2600 14.2757 14.2759 14.3963 14.3977 16.9337 16.9428 k =-0.5000 0.4991 0.3138 ( 2752 PWs) bands (ev): -46.2844 -46.2844 -22.9984 -22.9983 -22.3520 -22.3520 -22.3366 -22.3365 -14.2258 -14.2258 -5.8436 -5.8381 -5.7217 -5.7197 -5.7131 -5.7117 -1.3654 -1.3423 0.3481 0.3501 0.4029 0.4282 6.0050 6.0054 6.4861 6.4864 6.9299 6.9300 7.3711 7.3805 7.8067 7.8288 7.9836 7.9837 9.9528 9.9545 9.9574 9.9577 10.2495 10.2512 14.2337 14.2351 14.2507 14.2508 14.3876 14.3889 16.8867 16.8941 k =-0.5000 0.4991 0.3013 ( 2748 PWs) bands (ev): -46.2844 -46.2844 -22.9979 -22.9978 -22.3521 -22.3521 -22.3353 -22.3352 -14.2283 -14.2282 -5.8647 -5.8596 -5.7278 -5.7266 -5.7202 -5.7186 -1.3419 -1.3182 0.3738 0.3755 0.4377 0.4643 6.0122 6.0126 6.4856 6.4859 6.9990 6.9991 7.3291 7.3373 7.7930 7.8147 7.9741 7.9742 9.9156 9.9195 9.9202 9.9221 10.2468 10.2483 14.2084 14.2097 14.2253 14.2254 14.3786 14.3798 16.8293 16.8354 k =-0.5000 0.4991 0.2887 ( 2748 PWs) bands (ev): -46.2845 -46.2845 -22.9974 -22.9973 -22.3522 -22.3521 -22.3339 -22.3338 -14.2308 -14.2308 -5.8862 -5.8815 -5.7342 -5.7337 -5.7274 -5.7255 -1.3177 -1.2934 0.4002 0.4018 0.4742 0.5017 6.0183 6.0187 6.4851 6.4853 7.0719 7.0721 7.2835 7.2901 7.7812 7.8022 7.9636 7.9637 9.8775 9.8815 9.8859 9.8874 10.2440 10.2453 14.1827 14.1840 14.1996 14.1996 14.3694 14.3705 16.7625 16.7674 k =-0.5000 0.4991 0.2762 ( 2748 PWs) bands (ev): -46.2845 -46.2845 -22.9969 -22.9968 -22.3522 -22.3522 -22.3326 -22.3325 -14.2334 -14.2334 -5.9080 -5.9037 -5.7410 -5.7408 -5.7346 -5.7324 -1.2928 -1.2681 0.4273 0.4288 0.5120 0.5404 6.0234 6.0238 6.4845 6.4848 7.1470 7.1479 7.2356 7.2399 7.7711 7.7911 7.9523 7.9524 9.8392 9.8434 9.8521 9.8533 10.2411 10.2423 14.1569 14.1581 14.1738 14.1738 14.3600 14.3610 16.6876 16.6915 k =-0.5000 0.4991 0.2636 ( 2752 PWs) bands (ev): -46.2845 -46.2845 -22.9964 -22.9963 -22.3523 -22.3523 -22.3313 -22.3312 -14.2360 -14.2360 -5.9300 -5.9261 -5.7484 -5.7476 -5.7416 -5.7392 -1.2675 -1.2425 0.4549 0.4562 0.5510 0.5800 6.0276 6.0280 6.4840 6.4843 7.1767 7.1824 7.2309 7.2330 7.7625 7.7814 7.9401 7.9402 9.8010 9.8055 9.8192 9.8202 10.2383 10.2393 14.1311 14.1323 14.1480 14.1480 14.3505 14.3514 16.6058 16.6089 k =-0.5000 0.4991 0.2511 ( 2752 PWs) bands (ev): -46.2846 -46.2846 -22.9959 -22.9958 -22.3524 -22.3524 -22.3299 -22.3298 -14.2386 -14.2386 -5.9521 -5.9484 -5.7559 -5.7546 -5.7485 -5.7459 -1.2419 -1.2168 0.4828 0.4840 0.5910 0.6205 6.0311 6.0314 6.4834 6.4838 7.1249 7.1280 7.3103 7.3115 7.7553 7.7729 7.9272 7.9274 9.7632 9.7680 9.7872 9.7881 10.2354 10.2363 14.1054 14.1066 14.1224 14.1224 14.3410 14.3418 16.5185 16.5211 k =-0.5000 0.4991 0.2385 ( 2744 PWs) bands (ev): -46.2846 -46.2846 -22.9954 -22.9953 -22.3525 -22.3525 -22.3285 -22.3284 -14.2412 -14.2412 -5.9740 -5.9707 -5.7633 -5.7618 -5.7551 -5.7525 -1.2161 -1.1911 0.5108 0.5120 0.6317 0.6615 6.0338 6.0342 6.4829 6.4832 7.0689 7.0703 7.3921 7.3934 7.7495 7.7658 7.9139 7.9142 9.7262 9.7313 9.7565 9.7573 10.2325 10.2333 14.0801 14.0812 14.0971 14.0972 14.3315 14.3322 16.4269 16.4291 k =-0.5000 0.4991 0.2260 ( 2744 PWs) bands (ev): -46.2847 -46.2847 -22.9949 -22.9948 -22.3526 -22.3526 -22.3271 -22.3270 -14.2438 -14.2438 -5.9957 -5.9926 -5.7707 -5.7690 -5.7615 -5.7590 -1.1902 -1.1655 0.5389 0.5399 0.6731 0.7030 6.0359 6.0363 6.4824 6.4827 7.0112 7.0113 7.4731 7.4750 7.7458 7.7604 7.9007 7.9012 9.6901 9.6954 9.7272 9.7279 10.2296 10.2303 14.0551 14.0563 14.0722 14.0724 14.3220 14.3227 16.3323 16.3340 k =-0.5000 0.4991 0.2134 ( 2748 PWs) bands (ev): -46.2847 -46.2847 -22.9944 -22.9943 -22.3527 -22.3527 -22.3258 -22.3257 -14.2464 -14.2464 -6.0170 -6.0142 -5.7780 -5.7762 -5.7677 -5.7654 -1.1646 -1.1402 0.5668 0.5677 0.7147 0.7445 6.0376 6.0379 6.4819 6.4823 6.9515 6.9527 7.5499 7.5530 7.7458 7.7577 7.8889 7.8896 9.6552 9.6607 9.6995 9.7002 10.2268 10.2274 14.0307 14.0318 14.0479 14.0481 14.3127 14.3133 16.2355 16.2369 k =-0.5000 0.4991 0.2008 ( 2748 PWs) bands (ev): -46.2847 -46.2847 -22.9939 -22.9938 -22.3528 -22.3528 -22.3244 -22.3243 -14.2489 -14.2489 -6.0378 -6.0352 -5.7851 -5.7833 -5.7737 -5.7715 -1.1393 -1.1154 0.5943 0.5952 0.7564 0.7859 6.0388 6.0391 6.4815 6.4818 6.8915 6.8938 7.6149 7.6209 7.7531 7.7607 7.8815 7.8828 9.6216 9.6273 9.6735 9.6741 10.2240 10.2246 14.0069 14.0080 14.0244 14.0246 14.3035 14.3041 16.1375 16.1387 k =-0.5000 0.4991 0.1883 ( 2744 PWs) bands (ev): -46.2848 -46.2848 -22.9934 -22.9934 -22.3529 -22.3529 -22.3231 -22.3230 -14.2514 -14.2514 -6.0580 -6.0556 -5.7919 -5.7902 -5.7795 -5.7775 -1.1144 -1.0912 0.6213 0.6221 0.7980 0.8269 6.0397 6.0400 6.4810 6.4814 6.8319 6.8351 7.6557 7.6661 7.7702 7.7719 7.8881 7.8899 9.5896 9.5953 9.6493 9.6498 10.2213 10.2218 13.9839 13.9850 14.0016 14.0019 14.2946 14.2951 16.0393 16.0403 k =-0.5000 0.4991 0.1757 ( 2748 PWs) bands (ev): -46.2848 -46.2848 -22.9930 -22.9929 -22.3530 -22.3530 -22.3218 -22.3217 -14.2537 -14.2537 -6.0774 -6.0752 -5.7986 -5.7969 -5.7851 -5.7832 -1.0902 -1.0678 0.6476 0.6484 0.8390 0.8673 6.0403 6.0406 6.4806 6.4810 6.7731 6.7771 7.6715 7.6842 7.7802 7.7814 7.9248 7.9262 9.5592 9.5650 9.6269 9.6274 10.2188 10.2192 13.9618 13.9628 13.9798 13.9801 14.2860 14.2864 15.9416 15.9425 k =-0.5000 0.4991 0.1632 ( 2748 PWs) bands (ev): -46.2849 -46.2849 -22.9926 -22.9925 -22.3531 -22.3531 -22.3206 -22.3205 -14.2560 -14.2560 -6.0960 -6.0940 -5.8049 -5.8033 -5.7904 -5.7886 -1.0667 -1.0453 0.6731 0.6738 0.8793 0.9067 6.0407 6.0410 6.4802 6.4806 6.7157 6.7203 7.6749 7.6876 7.7757 7.7773 7.9877 7.9884 9.5307 9.5364 9.6064 9.6068 10.2163 10.2166 13.9407 13.9417 13.9590 13.9593 14.2778 14.2781 15.8455 15.8462 k =-0.5000 0.4991 0.1506 ( 2752 PWs) bands (ev): -46.2849 -46.2849 -22.9922 -22.9921 -22.3532 -22.3532 -22.3194 -22.3193 -14.2582 -14.2582 -6.1136 -6.1118 -5.8110 -5.8094 -5.7954 -5.7938 -1.0443 -1.0239 0.6975 0.6981 0.9185 0.9448 6.0409 6.0411 6.4798 6.4802 6.6601 6.6652 7.6735 7.6855 7.7642 7.7656 8.0609 8.0613 9.5041 9.5097 9.5877 9.5881 10.2139 10.2142 13.9207 13.9217 13.9394 13.9397 14.2699 14.2702 15.7516 15.7523 k =-0.5000 0.4991 0.1381 ( 2758 PWs) bands (ev): -46.2849 -46.2849 -22.9918 -22.9917 -22.3533 -22.3533 -22.3184 -22.3183 -14.2602 -14.2602 -6.1301 -6.1285 -5.8166 -5.8152 -5.8001 -5.7987 -1.0229 -1.0037 0.7207 0.7212 0.9563 0.9813 6.0409 6.0412 6.4794 6.4799 6.6068 6.6123 7.6702 7.6813 7.7499 7.7512 8.1365 8.1366 9.4795 9.4849 9.5708 9.5712 10.2117 10.2119 13.9019 13.9028 13.9210 13.9213 14.2625 14.2628 15.6610 15.6616 k =-0.5000 0.4991 0.1255 ( 2756 PWs) bands (ev): -46.2849 -46.2849 -22.9915 -22.9914 -22.3533 -22.3533 -22.3173 -22.3172 -14.2621 -14.2621 -6.1456 -6.1441 -5.8219 -5.8205 -5.8045 -5.8032 -1.0027 -0.9849 0.7425 0.7430 0.9924 1.0158 6.0409 6.0411 6.4790 6.4796 6.5562 6.5621 7.6661 7.6763 7.7348 7.7359 8.2109 8.2110 9.4569 9.4621 9.5557 9.5561 10.2096 10.2098 13.8843 13.8853 13.9039 13.9042 14.2556 14.2558 15.5744 15.5749 k =-0.5000 0.4991 0.1130 ( 2756 PWs) bands (ev): -46.2850 -46.2850 -22.9911 -22.9911 -22.3534 -22.3534 -22.3163 -22.3163 -14.2639 -14.2639 -6.1598 -6.1585 -5.8267 -5.8255 -5.8085 -5.8074 -0.9839 -0.9675 0.7628 0.7632 1.0265 1.0482 6.0408 6.0410 6.4782 6.4793 6.5090 6.5153 7.6616 7.6709 7.7196 7.7207 8.2824 8.2824 9.4365 9.4413 9.5423 9.5427 10.2077 10.2079 13.8682 13.8691 13.8881 13.8885 14.2492 14.2494 15.4927 15.4931 k =-0.5000 0.4991 0.1004 ( 2754 PWs) bands (ev): -46.2850 -46.2850 -22.9908 -22.9908 -22.3534 -22.3534 -22.3155 -22.3154 -14.2655 -14.2655 -6.1727 -6.1715 -5.8311 -5.8300 -5.8122 -5.8112 -0.9666 -0.9518 0.7814 0.7818 1.0582 1.0781 6.0407 6.0408 6.4652 6.4678 6.4792 6.4817 7.6571 7.6655 7.7051 7.7061 8.3494 8.3495 9.4182 9.4227 9.5306 9.5310 10.2059 10.2061 13.8536 13.8544 13.8739 13.8742 14.2434 14.2435 15.4167 15.4171 k =-0.5000 0.4991 0.0879 ( 2754 PWs) bands (ev): -46.2850 -46.2850 -22.9905 -22.9905 -22.3535 -22.3535 -22.3147 -22.3146 -14.2669 -14.2669 -6.1842 -6.1832 -5.8350 -5.8340 -5.8155 -5.8146 -0.9509 -0.9377 0.7981 0.7985 1.0873 1.1051 6.0405 6.0406 6.4257 6.4301 6.4790 6.4793 7.6528 7.6602 7.6915 7.6925 8.4111 8.4112 9.4022 9.4062 9.5205 9.5208 10.2043 10.2045 13.8405 13.8412 13.8612 13.8615 14.2382 14.2383 15.3472 15.3476 k =-0.5000 0.4991 0.0753 ( 2750 PWs) bands (ev): -46.2850 -46.2850 -22.9903 -22.9902 -22.3535 -22.3535 -22.3139 -22.3139 -14.2682 -14.2682 -6.1943 -6.1935 -5.8384 -5.8376 -5.8183 -5.8176 -0.9370 -0.9255 0.8129 0.8132 1.1133 1.1289 6.0403 6.0404 6.3907 6.3949 6.4788 6.4789 7.6488 7.6552 7.6793 7.6802 8.4666 8.4667 9.3883 9.3918 9.5119 9.5122 10.2030 10.2031 13.8290 13.8297 13.8500 13.8503 14.2336 14.2337 15.2852 15.2855 k =-0.5000 0.4991 0.0628 ( 2736 PWs) bands (ev): -46.2850 -46.2850 -22.9900 -22.9900 -22.3536 -22.3536 -22.3133 -22.3132 -14.2693 -14.2693 -6.2029 -6.2022 -5.8413 -5.8406 -5.8207 -5.8201 -0.9248 -0.9151 0.8257 0.8259 1.1362 1.1494 6.0401 6.0402 6.3604 6.3642 6.4786 6.4787 7.6452 7.6506 7.6687 7.6695 8.5150 8.5151 9.3766 9.3796 9.5048 9.5050 10.2018 10.2019 13.8192 13.8198 13.8405 13.8408 14.2297 14.2297 15.2312 15.2314 k =-0.5000 0.4991 0.0502 ( 2736 PWs) bands (ev): -46.2851 -46.2851 -22.9899 -22.9898 -22.3536 -22.3536 -22.3128 -22.3127 -14.2702 -14.2702 -6.2100 -6.2095 -5.8437 -5.8431 -5.8227 -5.8222 -0.9146 -0.9068 0.8362 0.8364 1.1555 1.1662 6.0400 6.0400 6.3353 6.3385 6.4785 6.4785 7.6421 7.6464 7.6600 7.6606 8.5557 8.5557 9.3671 9.3695 9.4990 9.4993 10.2008 10.2009 13.8111 13.8116 13.8327 13.8329 14.2264 14.2265 15.1860 15.1862 k =-0.5000 0.4991 0.0377 ( 2736 PWs) bands (ev): -46.2851 -46.2851 -22.9897 -22.9897 -22.3536 -22.3536 -22.3124 -22.3123 -14.2709 -14.2709 -6.2156 -6.2152 -5.8456 -5.8451 -5.8243 -5.8239 -0.9063 -0.9004 0.8446 0.8447 1.1711 1.1793 6.0399 6.0399 6.3156 6.3181 6.4784 6.4784 7.6394 7.6427 7.6533 7.6538 8.5880 8.5880 9.3598 9.3616 9.4946 9.4948 10.2000 10.2001 13.8048 13.8052 13.8266 13.8267 14.2239 14.2239 15.1502 15.1503 k =-0.5000 0.4991 0.0251 ( 2740 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3536 -22.3536 -22.3121 -22.3121 -14.2714 -14.2714 -6.2196 -6.2193 -5.8469 -5.8466 -5.8254 -5.8251 -0.9001 -0.8961 0.8506 0.8507 1.1828 1.1883 6.0398 6.0398 6.3015 6.3032 6.4783 6.4784 7.6374 7.6394 7.6488 7.6490 8.6114 8.6115 9.3546 9.3559 9.4915 9.4916 10.1995 10.1995 13.8003 13.8005 13.8222 13.8223 14.2221 14.2221 15.1242 15.1243 k =-0.5000 0.4991 0.0126 ( 2740 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3537 -22.3537 -22.3119 -22.3119 -14.2717 -14.2717 -6.2219 -6.2218 -5.8477 -5.8475 -5.8260 -5.8259 -0.8959 -0.8939 0.8542 0.8542 1.1904 1.1932 6.0397 6.0397 6.2931 6.2940 6.4783 6.4783 7.6361 7.6371 7.6463 7.6463 8.6256 8.6257 9.3517 9.3523 9.4897 9.4898 10.1992 10.1992 13.7976 13.7977 13.8196 13.8196 14.2210 14.2210 15.1085 15.1086 k =-0.5000 0.4991 0.0000 ( 2744 PWs) bands (ev): -46.2851 -46.2851 -22.9896 -22.9896 -22.3537 -22.3537 -22.3119 -22.3119 -14.2718 -14.2718 -6.2227 -6.2227 -5.8479 -5.8479 -5.8262 -5.8262 -0.8939 -0.8939 0.8554 0.8554 1.1939 1.1939 6.0397 6.0397 6.2906 6.2906 6.4783 6.4783 7.6360 7.6360 7.6454 7.6454 8.6304 8.6304 9.3509 9.3509 9.4891 9.4891 10.1991 10.1991 13.7967 13.7967 13.8187 13.8187 14.2206 14.2206 15.1033 15.1033 k = 0.0000 0.0000 0.5021 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9766 -22.9766 -22.3345 -22.3345 -22.3029 -22.3029 -14.3424 -14.3424 -6.7874 -6.7874 -5.8585 -5.8585 -5.5907 -5.5907 -0.7946 -0.7946 1.1059 1.1059 1.2508 1.2508 6.3086 6.3086 7.5502 7.5502 7.5611 7.5611 8.2240 8.2240 8.3017 8.3017 8.5448 8.5448 8.6213 8.6213 9.5451 9.5451 9.5794 9.5794 12.2524 12.2524 13.8068 13.8068 13.8319 13.8319 14.2486 14.2486 k =-0.0089 0.0089 0.5021 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9767 -22.9767 -22.3346 -22.3346 -22.3030 -22.3030 -14.3423 -14.3423 -6.7867 -6.7866 -5.8584 -5.8583 -5.5911 -5.5911 -0.7953 -0.7943 1.1047 1.1068 1.2499 1.2505 6.3083 6.3083 7.5411 7.5511 7.5601 7.5701 8.1987 8.2305 8.2702 8.3134 8.5447 8.5673 8.6128 8.6462 9.5304 9.5533 9.5657 9.5889 12.2550 12.2558 13.8064 13.8073 13.8315 13.8325 14.2522 14.2522 k =-0.0179 0.0178 0.5021 ( 2766 PWs) bands (ev): -46.2860 -46.2860 -22.9768 -22.9767 -22.3346 -22.3346 -22.3031 -22.3031 -14.3419 -14.3419 -6.7845 -6.7842 -5.8580 -5.8577 -5.5922 -5.5921 -0.7963 -0.7943 1.1034 1.1075 1.2478 1.2490 6.3073 6.3074 7.5317 7.5419 7.5688 7.5791 8.1587 8.2044 8.2400 8.3052 8.5636 8.6064 8.6224 8.6834 9.5103 9.5413 9.5613 9.5931 12.2635 12.2650 13.8062 13.8081 13.8312 13.8333 14.2629 14.2631 k =-0.0268 0.0267 0.5021 ( 2762 PWs) bands (ev): -46.2860 -46.2860 -22.9768 -22.9768 -22.3346 -22.3346 -22.3033 -22.3033 -14.3414 -14.3414 -6.7808 -6.7804 -5.8574 -5.8570 -5.5940 -5.5938 -0.7977 -0.7947 1.1018 1.1079 1.2445 1.2463 6.3058 6.3059 7.5222 7.5323 7.5775 7.5878 8.1081 8.1478 8.2206 8.2844 8.5949 8.6394 8.6615 8.7284 9.4849 9.5156 9.5601 9.5921 12.2777 12.2799 13.8061 13.8090 13.8311 13.8342 14.2808 14.2810 k =-0.0357 0.0356 0.5021 ( 2762 PWs) bands (ev): -46.2859 -46.2859 -22.9770 -22.9770 -22.3347 -22.3347 -22.3036 -22.3036 -14.3406 -14.3406 -6.7755 -6.7750 -5.8565 -5.8559 -5.5964 -5.5963 -0.7995 -0.7955 1.0998 1.1079 1.2402 1.2426 6.3037 6.3038 7.5125 7.5225 7.5860 7.5963 8.0504 8.0824 8.1985 8.2575 8.6334 8.6708 8.7158 8.7777 9.4545 9.4842 9.5548 9.5862 12.2975 12.3004 13.8063 13.8102 13.8313 13.8353 14.3056 14.3058 k =-0.0446 0.0446 0.5021 ( 2766 PWs) bands (ev): -46.2859 -46.2859 -22.9772 -22.9772 -22.3348 -22.3348 -22.3039 -22.3039 -14.3396 -14.3396 -6.7688 -6.7682 -5.8552 -5.8545 -5.5996 -5.5993 -0.8016 -0.7968 1.0972 1.1074 1.2349 1.2378 6.3011 6.3012 7.5027 7.5126 7.5942 7.6044 7.9879 8.0134 8.1739 8.2281 8.6763 8.7077 8.7722 8.8292 9.4191 9.4476 9.5453 9.5757 12.3226 12.3261 13.8068 13.8116 13.8316 13.8367 14.3371 14.3374 k =-0.0536 0.0535 0.5021 ( 2758 PWs) bands (ev): -46.2859 -46.2859 -22.9774 -22.9773 -22.3349 -22.3349 -22.3043 -22.3043 -14.3384 -14.3384 -6.7606 -6.7599 -5.8537 -5.8528 -5.6033 -5.6030 -0.8043 -0.7985 1.0940 1.1060 1.2289 1.2323 6.2980 6.2981 7.4927 7.5025 7.6019 7.6120 7.9223 7.9426 8.1482 8.1983 8.7221 8.7487 8.8287 8.8815 9.3792 9.4062 9.5320 9.5611 12.3528 12.3567 13.8075 13.8133 13.8323 13.8385 14.3751 14.3754 k =-0.0625 0.0624 0.5021 ( 2762 PWs) bands (ev): -46.2859 -46.2859 -22.9776 -22.9776 -22.3351 -22.3351 -22.3048 -22.3048 -14.3369 -14.3369 -6.7509 -6.7501 -5.8520 -5.8509 -5.6075 -5.6072 -0.8075 -0.8008 1.0899 1.1035 1.2224 1.2261 6.2944 6.2944 7.4824 7.4921 7.6089 7.6190 7.8549 7.8709 8.1223 8.1689 8.7698 8.7928 8.8843 8.9336 9.3350 9.3605 9.5153 9.5430 12.3875 12.3919 13.8087 13.8154 13.8334 13.8405 14.4192 14.4196 k =-0.0714 0.0713 0.5021 ( 2766 PWs) bands (ev): -46.2859 -46.2859 -22.9779 -22.9779 -22.3353 -22.3352 -22.3054 -22.3054 -14.3353 -14.3353 -6.7398 -6.7389 -5.8499 -5.8487 -5.6123 -5.6120 -0.8112 -0.8036 1.0846 1.0996 1.2157 1.2195 6.2903 6.2904 7.4720 7.4815 7.6151 7.6252 7.7866 7.7991 8.0968 8.1405 8.8190 8.8390 8.9386 8.9850 9.2869 9.3107 9.4959 9.5221 12.4265 12.4312 13.8103 13.8179 13.8349 13.8430 14.4692 14.4696 k =-0.0804 0.0802 0.5021 ( 2760 PWs) bands (ev): -46.2859 -46.2859 -22.9782 -22.9782 -22.3354 -22.3354 -22.3060 -22.3059 -14.3334 -14.3334 -6.7273 -6.7262 -5.8476 -5.8463 -5.6176 -5.6172 -0.8156 -0.8072 1.0779 1.0939 1.2091 1.2126 6.2859 6.2860 7.4612 7.4706 7.6201 7.6305 7.7186 7.7278 8.0721 8.1135 8.8693 8.8870 8.9913 9.0353 9.2351 9.2574 9.4743 9.4989 12.4694 12.4744 13.8125 13.8210 13.8370 13.8460 14.5247 14.5250 k =-0.0893 0.0891 0.5021 ( 2758 PWs) bands (ev): -46.2858 -46.2858 -22.9786 -22.9786 -22.3356 -22.3356 -22.3067 -22.3066 -14.3314 -14.3314 -6.7133 -6.7122 -5.8450 -5.8436 -5.6233 -5.6228 -0.8207 -0.8114 1.0695 1.0862 1.2028 1.2057 6.2811 6.2813 7.4501 7.4593 7.6215 7.6343 7.6534 7.6581 8.0484 8.0878 8.9204 8.9363 9.0420 9.0844 9.1802 9.2012 9.4514 9.4742 12.5158 12.5210 13.8152 13.8245 13.8397 13.8495 14.5852 14.5856 k =-0.0982 0.0980 0.5021 ( 2760 PWs) bands (ev): -46.2858 -46.2858 -22.9790 -22.9790 -22.3358 -22.3358 -22.3075 -22.3074 -14.3292 -14.3292 -6.6980 -6.6967 -5.8422 -5.8406 -5.6293 -5.6287 -0.8265 -0.8164 1.0592 1.0760 1.1969 1.1988 6.2761 6.2763 7.4385 7.4475 7.5800 7.5884 7.6311 7.6381 8.0259 8.0637 8.9721 8.9865 9.0888 9.1223 9.1320 9.1442 9.4276 9.4488 12.5652 12.5706 13.8187 13.8287 13.8430 13.8536 14.6505 14.6509 k =-0.1071 0.1069 0.5021 ( 2758 PWs) bands (ev): -46.2858 -46.2858 -22.9794 -22.9794 -22.3360 -22.3360 -22.3083 -22.3082 -14.3268 -14.3268 -6.6814 -6.6800 -5.8391 -5.8374 -5.6355 -5.6350 -0.8332 -0.8223 1.0469 1.0635 1.1914 1.1920 6.2709 6.2711 7.4263 7.4352 7.5162 7.5219 7.6311 7.6392 8.0047 8.0411 9.0234 9.0369 9.0629 9.0757 9.1435 9.1780 9.4038 9.4233 12.6174 12.6228 13.8229 13.8335 13.8472 13.8584 14.7202 14.7205 k =-0.1161 0.1159 0.5021 ( 2762 PWs) bands (ev): -46.2857 -46.2857 -22.9799 -22.9799 -22.3363 -22.3363 -22.3092 -22.3091 -14.3242 -14.3242 -6.6634 -6.6620 -5.8358 -5.8339 -5.6420 -5.6414 -0.8407 -0.8291 1.0326 1.0487 1.1851 1.1862 6.2655 6.2657 7.4133 7.4218 7.4540 7.4580 7.6304 7.6386 7.9848 8.0201 8.9988 9.0124 9.0775 9.0896 9.1875 9.2224 9.3806 9.3985 12.6718 12.6773 13.8279 13.8390 13.8522 13.8640 14.7938 14.7941 k =-0.1250 0.1248 0.5021 ( 2758 PWs) bands (ev): -46.2857 -46.2857 -22.9804 -22.9803 -22.3365 -22.3365 -22.3101 -22.3101 -14.3214 -14.3214 -6.6443 -6.6427 -5.8322 -5.8302 -5.6486 -5.6480 -0.8491 -0.8369 1.0163 1.0316 1.1781 1.1809 6.2600 6.2602 7.3906 7.3917 7.4049 7.4115 7.6276 7.6359 7.9663 8.0006 8.9351 8.9475 9.1297 9.1412 9.2313 9.2651 9.3588 9.3753 12.7283 12.7338 13.8338 13.8452 13.8582 13.8703 14.8710 14.8713 k =-0.1339 0.1337 0.5021 ( 2754 PWs) bands (ev): -46.2857 -46.2857 -22.9809 -22.9808 -22.3368 -22.3368 -22.3111 -22.3110 -14.3185 -14.3185 -6.6238 -6.6221 -5.8284 -5.8264 -5.6553 -5.6546 -0.8585 -0.8456 0.9981 1.0127 1.1707 1.1751 6.2545 6.2547 7.3345 7.3367 7.3877 7.3962 7.6226 7.6308 7.9491 7.9826 8.8699 8.8810 9.1819 9.1930 9.2735 9.3058 9.3389 9.3546 12.7864 12.7919 13.8406 13.8521 13.8652 13.8774 14.9515 14.9517 k =-0.1429 0.1426 0.5021 ( 2754 PWs) bands (ev): -46.2856 -46.2856 -22.9814 -22.9814 -22.3371 -22.3371 -22.3121 -22.3121 -14.3155 -14.3155 -6.6023 -6.6005 -5.8245 -5.8222 -5.6620 -5.6613 -0.8688 -0.8553 0.9782 0.9920 1.1626 1.1687 6.2489 6.2491 7.2808 7.2824 7.3726 7.3810 7.6150 7.6231 7.9332 7.9660 8.8040 8.8138 9.2339 9.2448 9.3139 9.3218 9.3303 9.3513 12.8458 12.8512 13.8484 13.8598 13.8733 13.8855 15.0348 15.0350 k =-0.1518 0.1515 0.5021 ( 2754 PWs) bands (ev): -46.2856 -46.2856 -22.9820 -22.9820 -22.3374 -22.3374 -22.3132 -22.3132 -14.3123 -14.3123 -6.5796 -6.5777 -5.8203 -5.8180 -5.6685 -5.6678 -0.8802 -0.8661 0.9567 0.9697 1.1536 1.1612 6.2434 6.2436 7.2308 7.2320 7.3567 7.3651 7.6045 7.6125 7.9186 7.9508 8.7378 8.7464 9.2849 9.2959 9.3073 9.3182 9.3537 9.3870 12.9063 12.9117 13.8572 13.8684 13.8825 13.8944 15.1207 15.1209 k =-0.1607 0.1604 0.5021 ( 2756 PWs) bands (ev): -46.2855 -46.2855 -22.9826 -22.9826 -22.3377 -22.3377 -22.3144 -22.3143 -14.3090 -14.3090 -6.5558 -6.5538 -5.8159 -5.8135 -5.6750 -5.6742 -0.8925 -0.8780 0.9338 0.9462 1.1434 1.1524 6.2380 6.2382 7.1850 7.1860 7.3398 7.3481 7.5910 7.5989 7.9051 7.9370 8.6718 8.6793 9.2959 9.3048 9.3375 9.3475 9.3915 9.4240 12.9676 12.9728 13.8671 13.8778 13.8928 13.9043 15.2088 15.2089 k =-0.1696 0.1693 0.5021 ( 2756 PWs) bands (ev): -46.2855 -46.2855 -22.9832 -22.9832 -22.3380 -22.3380 -22.3155 -22.3155 -14.3056 -14.3056 -6.5310 -6.5289 -5.8114 -5.8088 -5.6812 -5.6804 -0.9059 -0.8909 0.9097 0.9214 1.1317 1.1421 6.2326 6.2329 7.1438 7.1446 7.3217 7.3299 7.5743 7.5822 7.8928 7.9243 8.6066 8.6131 9.2889 9.2973 9.3870 9.3980 9.4280 9.4602 13.0294 13.0345 13.8780 13.8881 13.9042 13.9152 15.2988 15.2989 k =-0.1786 0.1782 0.5021 ( 2752 PWs) bands (ev): -46.2854 -46.2854 -22.9838 -22.9838 -22.3383 -22.3383 -22.3167 -22.3167 -14.3021 -14.3021 -6.5052 -6.5030 -5.8067 -5.8040 -5.6872 -5.6864 -0.9203 -0.9049 0.8845 0.8955 1.1184 1.1299 6.2274 6.2276 7.1074 7.1082 7.3023 7.3103 7.5544 7.5622 7.8815 7.9128 8.5427 8.5482 9.2860 9.2935 9.4356 9.4477 9.4633 9.4958 13.0914 13.0964 13.8900 13.8994 13.9166 13.9270 15.3904 15.3904 k =-0.1875 0.1872 0.5021 ( 2760 PWs) bands (ev): -46.2854 -46.2854 -22.9845 -22.9845 -22.3387 -22.3387 -22.3180 -22.3180 -14.2985 -14.2985 -6.4786 -6.4763 -5.8018 -5.7991 -5.6928 -5.6920 -0.9357 -0.9200 0.8583 0.8688 1.1032 1.1157 6.2223 6.2225 7.0761 7.0770 7.2813 7.2893 7.5312 7.5390 7.8711 7.9024 8.4806 8.4853 9.2873 9.2940 9.4825 9.4957 9.4982 9.5310 13.1536 13.1584 13.9030 13.9117 13.9302 13.9398 15.4832 15.4833 k =-0.1964 0.1961 0.5021 ( 2760 PWs) bands (ev): -46.2853 -46.2853 -22.9852 -22.9852 -22.3390 -22.3390 -22.3193 -22.3192 -14.2948 -14.2948 -6.4511 -6.4487 -5.7969 -5.7940 -5.6981 -5.6972 -0.9520 -0.9360 0.8313 0.8413 1.0860 1.0994 6.2173 6.2176 7.0500 7.0511 7.2588 7.2666 7.5049 7.5126 7.8616 7.8928 8.4211 8.4248 9.2928 9.2988 9.5268 9.5300 9.5448 9.5668 13.2156 13.2202 13.9172 13.9250 13.9447 13.9535 15.5770 15.5771 k =-0.2054 0.2050 0.5021 ( 2760 PWs) bands (ev): -46.2853 -46.2853 -22.9859 -22.9859 -22.3394 -22.3394 -22.3206 -22.3205 -14.2911 -14.2911 -6.4229 -6.4204 -5.7918 -5.7889 -5.7029 -5.7020 -0.9693 -0.9530 0.8035 0.8131 1.0667 1.0809 6.2125 6.2127 7.0293 7.0307 7.2345 7.2421 7.4754 7.4831 7.8527 7.8841 8.3645 8.3675 9.3027 9.3079 9.5619 9.5674 9.5915 9.6042 13.2772 13.2817 13.9324 13.9392 13.9602 13.9681 15.6714 15.6716 k =-0.2143 0.2139 0.5021 ( 2752 PWs) bands (ev): -46.2852 -46.2852 -22.9866 -22.9865 -22.3397 -22.3397 -22.3219 -22.3218 -14.2873 -14.2873 -6.3939 -6.3914 -5.7866 -5.7836 -5.7073 -5.7063 -0.9875 -0.9710 0.7752 0.7844 1.0453 1.0600 6.2077 6.2080 7.0140 7.0159 7.2083 7.2158 7.4431 7.4506 7.8445 7.8761 8.3114 8.3137 9.3166 9.3212 9.5929 9.6037 9.6371 9.6438 13.3384 13.3427 13.9486 13.9545 13.9767 13.9836 15.7663 15.7666 k =-0.2232 0.2228 0.5021 ( 2756 PWs) bands (ev): -46.2852 -46.2852 -22.9873 -22.9872 -22.3401 -22.3401 -22.3232 -22.3231 -14.2835 -14.2835 -6.3644 -6.3618 -5.7813 -5.7782 -5.7111 -5.7101 -1.0065 -0.9899 0.7465 0.7552 1.0216 1.0368 6.2030 6.2033 7.0042 7.0065 7.1803 7.1876 7.4080 7.4154 7.8368 7.8687 8.2625 8.2639 9.3345 9.3385 9.6231 9.6366 9.6813 9.6846 13.3989 13.4030 13.9658 13.9707 13.9940 13.9999 15.8613 15.8616 k =-0.2321 0.2317 0.5021 ( 2756 PWs) bands (ev): -46.2851 -46.2851 -22.9880 -22.9880 -22.3404 -22.3404 -22.3245 -22.3245 -14.2796 -14.2796 -6.3343 -6.3316 -5.7760 -5.7729 -5.7143 -5.7133 -1.0263 -1.0096 0.7174 0.7257 0.9956 1.0113 6.1983 6.1986 6.9996 7.0025 7.1505 7.1575 7.3705 7.3778 7.8294 7.8617 8.2179 8.2187 9.3561 9.3596 9.6525 9.6672 9.7241 9.7254 13.4585 13.4625 13.9839 13.9878 14.0122 14.0171 15.9562 15.9565 k =-0.2411 0.2406 0.5021 ( 2760 PWs) bands (ev): -46.2851 -46.2851 -22.9887 -22.9887 -22.3408 -22.3408 -22.3259 -22.3258 -14.2758 -14.2758 -6.3037 -6.3010 -5.7707 -5.7674 -5.7170 -5.7160 -1.0469 -1.0301 0.6880 0.6960 0.9675 0.9835 6.1935 6.1938 6.9999 7.0036 7.1191 7.1257 7.3308 7.3379 7.8224 7.8551 8.1782 8.1782 9.3812 9.3841 9.6812 9.6964 9.7655 9.7655 13.5172 13.5210 14.0029 14.0058 14.0311 14.0349 16.0506 16.0509 k =-0.2500 0.2495 0.5021 ( 2756 PWs) bands (ev): -46.2850 -46.2850 -22.9895 -22.9894 -22.3412 -22.3412 -22.3272 -22.3271 -14.2719 -14.2719 -6.2728 -6.2700 -5.7653 -5.7620 -5.7190 -5.7180 -1.0681 -1.0514 0.6585 0.6662 0.9374 0.9535 6.1887 6.1890 7.0046 7.0088 7.0869 7.0929 7.2894 7.2962 7.8156 7.8487 8.1428 8.1434 9.4093 9.4119 9.7094 9.7246 9.8045 9.8053 13.5748 13.5785 14.0227 14.0245 14.0507 14.0535 16.1443 16.1446 k =-0.2589 0.2585 0.5021 ( 2756 PWs) bands (ev): -46.2850 -46.2850 -22.9902 -22.9901 -22.3416 -22.3415 -22.3286 -22.3285 -14.2681 -14.2680 -6.2417 -6.2388 -5.7599 -5.7566 -5.7205 -5.7194 -1.0900 -1.0732 0.6290 0.6363 0.9053 0.9215 6.1836 6.1839 7.0105 7.0141 7.0579 7.0619 7.2467 7.2531 7.8090 7.8426 8.1124 8.1136 9.4404 9.4426 9.7371 9.7521 9.8421 9.8434 13.6312 13.6347 14.0432 14.0440 14.0710 14.0727 16.2370 16.2373 k =-0.2679 0.2674 0.5021 ( 2760 PWs) bands (ev): -46.2849 -46.2849 -22.9909 -22.9909 -22.3419 -22.3419 -22.3299 -22.3298 -14.2642 -14.2642 -6.2103 -6.2073 -5.7547 -5.7513 -5.7212 -5.7200 -1.1123 -1.0957 0.5996 0.6066 0.8714 0.8876 6.1782 6.1785 6.9997 7.0018 7.0486 7.0516 7.2030 7.2090 7.8028 7.8366 8.0870 8.0885 9.4739 9.4757 9.7643 9.7790 9.8782 9.8800 13.6864 13.6896 14.0640 14.0644 14.0917 14.0924 16.3283 16.3285 k =-0.2768 0.2763 0.5021 ( 2762 PWs) bands (ev): -46.2849 -46.2849 -22.9917 -22.9916 -22.3423 -22.3423 -22.3312 -22.3311 -14.2604 -14.2604 -6.1788 -6.1758 -5.7495 -5.7462 -5.7213 -5.7200 -1.1352 -1.1186 0.5703 0.5770 0.8358 0.8520 6.1723 6.1726 6.9663 6.9701 7.0612 7.0675 7.1590 7.1645 7.7969 7.8311 8.0662 8.0680 9.5096 9.5112 9.7912 9.8055 9.9127 9.9148 13.7401 13.7432 14.0846 14.0860 14.1125 14.1130 16.4180 16.4180 k =-0.2857 0.2852 0.5021 ( 2762 PWs) bands (ev): -46.2848 -46.2848 -22.9924 -22.9923 -22.3427 -22.3427 -22.3325 -22.3324 -14.2567 -14.2567 -6.1473 -6.1442 -5.7444 -5.7411 -5.7206 -5.7193 -1.1583 -1.1420 0.5413 0.5477 0.7990 0.8150 6.1659 6.1662 6.9286 6.9324 7.0816 7.0893 7.1160 7.1212 7.7917 7.8260 8.0497 8.0516 9.5472 9.5485 9.8177 9.8315 9.9456 9.9480 13.7924 13.7953 14.1057 14.1080 14.1331 14.1346 16.5055 16.5056 k =-0.2946 0.2941 0.5021 ( 2766 PWs) bands (ev): -46.2848 -46.2848 -22.9931 -22.9931 -22.3431 -22.3431 -22.3338 -22.3337 -14.2530 -14.2530 -6.1160 -6.1128 -5.7395 -5.7363 -5.7192 -5.7178 -1.1818 -1.1656 0.5127 0.5188 0.7609 0.7768 6.1588 6.1591 6.8897 6.8931 7.0679 7.0724 7.1119 7.1211 7.7873 7.8216 8.0370 8.0389 9.5863 9.5873 9.8441 9.8573 9.9768 9.9795 13.8431 13.8458 14.1270 14.1304 14.1539 14.1564 16.5903 16.5907 k =-0.3036 0.3030 0.5021 ( 2766 PWs) bands (ev): -46.2847 -46.2847 -22.9938 -22.9938 -22.3434 -22.3434 -22.3351 -22.3350 -14.2494 -14.2494 -6.0848 -6.0816 -5.7349 -5.7318 -5.7172 -5.7155 -1.2054 -1.1895 0.4846 0.4903 0.7220 0.7376 6.1508 6.1511 6.8506 6.8535 7.0253 7.0291 7.1406 7.1512 7.7839 7.8183 8.0275 8.0293 9.6267 9.6275 9.8702 9.8829 10.0064 10.0093 13.8921 13.8947 14.1486 14.1528 14.1750 14.1785 16.6722 16.6729 k =-0.3125 0.3119 0.5021 ( 2766 PWs) bands (ev): -46.2847 -46.2847 -22.9945 -22.9944 -22.3438 -22.3438 -22.3363 -22.3362 -14.2458 -14.2458 -6.0540 -6.0507 -5.7304 -5.7276 -5.7144 -5.7125 -1.2291 -1.2136 0.4570 0.4625 0.6825 0.6978 6.1418 6.1420 6.8118 6.8143 6.9827 6.9859 7.1726 7.1846 7.7818 7.8161 8.0208 8.0224 9.6680 9.6686 9.8961 9.9083 10.0343 10.0374 13.9395 13.9420 14.1703 14.1753 14.1962 14.2005 16.7505 16.7517 k =-0.3214 0.3208 0.5021 ( 2766 PWs) bands (ev): -46.2846 -46.2846 -22.9952 -22.9951 -22.3441 -22.3441 -22.3375 -22.3374 -14.2424 -14.2424 -6.0236 -6.0202 -5.7262 -5.7235 -5.7110 -5.7089 -1.2528 -1.2376 0.4301 0.4352 0.6426 0.6576 6.1315 6.1318 6.7741 6.7761 6.9409 6.9437 7.2066 7.2199 7.7812 7.8154 8.0164 8.0178 9.7099 9.7103 9.9220 9.9335 10.0606 10.0639 13.9852 13.9875 14.1919 14.1977 14.2175 14.2226 16.8244 16.8264 k =-0.3304 0.3298 0.5021 ( 2758 PWs) bands (ev): -46.2846 -46.2846 -22.9958 -22.9957 -22.3444 -22.3444 -22.3386 -22.3386 -14.2390 -14.2390 -5.9937 -5.9903 -5.7221 -5.7195 -5.7072 -5.7049 -1.2763 -1.2616 0.4039 0.4088 0.6026 0.6172 6.1200 6.1203 6.7379 6.7394 6.9004 6.9027 7.2418 7.2564 7.7823 7.8164 8.0139 8.0151 9.7522 9.7524 9.9477 9.9587 10.0852 10.0887 14.0291 14.0312 14.2134 14.2199 14.2387 14.2445 16.8931 16.8961 k =-0.3393 0.3387 0.5021 ( 2754 PWs) bands (ev): -46.2845 -46.2845 -22.9964 -22.9963 -22.3448 -22.3448 -22.3397 -22.3396 -14.2358 -14.2358 -5.9645 -5.9609 -5.7180 -5.7156 -5.7031 -5.7006 -1.2997 -1.2854 0.3785 0.3831 0.5629 0.5770 6.1071 6.1073 6.7036 6.7048 6.8613 6.8631 7.2775 7.2934 7.7853 7.8193 8.0129 8.0139 9.7945 9.7946 9.9733 9.9838 10.1083 10.1120 14.0711 14.0731 14.2347 14.2417 14.2597 14.2660 16.9554 16.9599 k =-0.3482 0.3476 0.5021 ( 2754 PWs) bands (ev): -46.2845 -46.2845 -22.9970 -22.9969 -22.3451 -22.3451 -22.3407 -22.3407 -14.2327 -14.2327 -5.9361 -5.9324 -5.7139 -5.7115 -5.6987 -5.6961 -1.3227 -1.3089 0.3541 0.3583 0.5237 0.5373 6.0927 6.0929 6.6716 6.6725 6.8236 6.8251 7.3131 7.3300 7.7905 7.8242 8.0130 8.0139 9.8365 9.8365 9.9987 10.0087 10.1298 10.1337 14.1113 14.1131 14.2557 14.2630 14.2804 14.2872 17.0099 17.0164 k =-0.3571 0.3565 0.5021 ( 2754 PWs) bands (ev): -46.2844 -46.2844 -22.9976 -22.9975 -22.3455 -22.3455 -22.3417 -22.3417 -14.2297 -14.2297 -5.9085 -5.9047 -5.7097 -5.7073 -5.6943 -5.6917 -1.3452 -1.3320 0.3306 0.3345 0.4852 0.4983 6.0769 6.0770 6.6423 6.6430 6.7876 6.7887 7.3478 7.3656 7.7980 7.8313 8.0142 8.0148 9.8780 9.8780 10.0240 10.0335 10.1497 10.1539 14.1495 14.1512 14.2762 14.2838 14.3008 14.3079 17.0550 17.0644 k =-0.3661 0.3654 0.5021 ( 2760 PWs) bands (ev): -46.2844 -46.2844 -22.9982 -22.9981 -22.3459 -22.3459 -22.3427 -22.3426 -14.2268 -14.2268 -5.8820 -5.8780 -5.7055 -5.7030 -5.6899 -5.6873 -1.3672 -1.3546 0.3082 0.3117 0.4477 0.4603 6.0598 6.0598 6.6158 6.6163 6.7533 6.7541 7.3810 7.3994 7.8080 7.8407 8.0160 8.0166 9.9186 9.9187 10.0490 10.0581 10.1682 10.1726 14.1857 14.1873 14.2962 14.3039 14.3206 14.3278 17.0890 17.1021 k =-0.3750 0.3743 0.5021 ( 2756 PWs) bands (ev): -46.2844 -46.2844 -22.9987 -22.9986 -22.3463 -22.3463 -22.3435 -22.3434 -14.2241 -14.2241 -5.8565 -5.8524 -5.7013 -5.6986 -5.6854 -5.6829 -1.3885 -1.3765 0.2869 0.2901 0.4114 0.4235 6.0415 6.0415 6.5922 6.5925 6.7208 6.7214 7.4121 7.4307 7.8206 7.8523 8.0184 8.0189 9.9581 9.9583 10.0737 10.0824 10.1852 10.1898 14.2199 14.2214 14.3156 14.3233 14.3397 14.3471 17.1108 17.1284 k =-0.3839 0.3832 0.5021 ( 2756 PWs) bands (ev): -46.2843 -46.2843 -22.9992 -22.9992 -22.3468 -22.3468 -22.3441 -22.3441 -14.2216 -14.2216 -5.8323 -5.8280 -5.6971 -5.6942 -5.6811 -5.6787 -1.4090 -1.3976 0.2668 0.2696 0.3767 0.3882 6.0223 6.0224 6.5714 6.5716 6.6902 6.6906 7.4407 7.4591 7.8358 7.8661 8.0212 8.0217 9.9964 9.9966 10.0980 10.1063 10.2008 10.2057 14.2521 14.2534 14.3342 14.3418 14.3581 14.3654 17.1204 17.1428 k =-0.3929 0.3921 0.5021 ( 2756 PWs) bands (ev): -46.2843 -46.2843 -22.9997 -22.9996 -22.3473 -22.3473 -22.3447 -22.3447 -14.2192 -14.2192 -5.8094 -5.8050 -5.6930 -5.6898 -5.6768 -5.6746 -1.4285 -1.4179 0.2479 0.2503 0.3436 0.3546 6.0027 6.0027 6.5534 6.5534 6.6616 6.6618 7.4665 7.4842 7.8534 7.8819 8.0243 8.0248 10.0330 10.0332 10.1217 10.1298 10.2150 10.2203 14.2822 14.2834 14.3519 14.3594 14.3756 14.3828 17.1193 17.1465 k =-0.4018 0.4011 0.5021 ( 2756 PWs) bands (ev): -46.2843 -46.2843 -23.0001 -23.0001 -22.3478 -22.3478 -22.3452 -22.3451 -14.2170 -14.2170 -5.7880 -5.7833 -5.6891 -5.6854 -5.6726 -5.6706 -1.4470 -1.4371 0.2303 0.2324 0.3125 0.3229 5.9828 5.9830 6.5378 6.5378 6.6350 6.6351 7.4892 7.5059 7.8729 7.8994 8.0275 8.0280 10.0678 10.0680 10.1447 10.1526 10.2280 10.2336 14.3101 14.3112 14.3688 14.3760 14.3920 14.3991 17.1101 17.1412 k =-0.4107 0.4100 0.5021 ( 2764 PWs) bands (ev): -46.2842 -46.2842 -23.0006 -23.0005 -22.3484 -22.3484 -22.3456 -22.3456 -14.2149 -14.2149 -5.7683 -5.7633 -5.6853 -5.6811 -5.6686 -5.6669 -1.4644 -1.4552 0.2141 0.2157 0.2835 0.2933 5.9633 5.9634 6.5245 6.5246 6.6105 6.6105 7.5090 7.5243 7.8938 7.9179 8.0308 8.0313 10.1004 10.1006 10.1667 10.1745 10.2396 10.2457 14.3357 14.3367 14.3846 14.3916 14.4074 14.4142 17.0958 17.1298 k =-0.4196 0.4189 0.5021 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0009 -23.0009 -22.3490 -22.3489 -22.3459 -22.3459 -14.2131 -14.2131 -5.7502 -5.7448 -5.6817 -5.6770 -5.6648 -5.6633 -1.4804 -1.4721 0.1993 0.2005 0.2568 0.2660 5.9444 5.9446 6.5133 6.5134 6.5881 6.5882 7.5260 7.5396 7.9154 7.9370 8.0340 8.0346 10.1307 10.1308 10.1876 10.1955 10.2500 10.2566 14.3591 14.3601 14.3993 14.4059 14.4215 14.4281 17.0787 17.1146 k =-0.4286 0.4278 0.5021 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0013 -23.0013 -22.3495 -22.3494 -22.3461 -22.3461 -14.2114 -14.2114 -5.7340 -5.7282 -5.6784 -5.6729 -5.6611 -5.6600 -1.4951 -1.4876 0.1860 0.1866 0.2326 0.2411 5.9265 5.9267 6.5040 6.5041 6.5679 6.5681 7.5403 7.5523 7.9369 7.9559 8.0371 8.0378 10.1584 10.1585 10.2072 10.2151 10.2591 10.2664 14.3802 14.3811 14.4128 14.4191 14.4344 14.4406 17.0609 17.0978 k =-0.4375 0.4367 0.5021 ( 2768 PWs) bands (ev): -46.2842 -46.2842 -23.0016 -23.0016 -22.3499 -22.3499 -22.3463 -22.3463 -14.2099 -14.2099 -5.7198 -5.7135 -5.6752 -5.6690 -5.6577 -5.6569 -1.5082 -1.5016 0.1741 0.1742 0.2110 0.2189 5.9099 5.9101 6.4962 6.4963 6.5500 6.5502 7.5523 7.5625 7.9575 7.9741 8.0400 8.0408 10.1832 10.1835 10.2251 10.2333 10.2672 10.2751 14.3990 14.3997 14.4250 14.4309 14.4460 14.4518 17.0440 17.0807 k =-0.4464 0.4456 0.5021 ( 2792 PWs) bands (ev): -46.2842 -46.2842 -23.0020 -23.0019 -22.3504 -22.3504 -22.3466 -22.3466 -14.2086 -14.2086 -5.7077 -5.7010 -5.6721 -5.6652 -5.6545 -5.6542 -1.5197 -1.5140 0.1633 0.1637 0.1921 0.1994 5.8950 5.8952 6.4899 6.4900 6.5344 6.5346 7.5622 7.5708 7.9768 7.9910 8.0426 8.0436 10.2050 10.2055 10.2412 10.2497 10.2741 10.2828 14.4153 14.4160 14.4359 14.4413 14.4562 14.4614 17.0290 17.0644 k =-0.4554 0.4545 0.5021 ( 2808 PWs) bands (ev): -46.2842 -46.2842 -23.0023 -23.0022 -22.3509 -22.3508 -22.3469 -22.3469 -14.2075 -14.2075 -5.6978 -5.6909 -5.6689 -5.6616 -5.6517 -5.6517 -1.5296 -1.5248 0.1539 0.1547 0.1761 0.1827 5.8820 5.8822 6.4848 6.4849 6.5212 6.5213 7.5703 7.5773 7.9941 8.0060 8.0449 8.0461 10.2236 10.2243 10.2552 10.2641 10.2799 10.2894 14.4291 14.4297 14.4454 14.4502 14.4650 14.4696 17.0166 17.0496 k =-0.4643 0.4634 0.5021 ( 2804 PWs) bands (ev): -46.2841 -46.2841 -23.0024 -23.0024 -22.3512 -22.3511 -22.3470 -22.3470 -14.2066 -14.2065 -5.6900 -5.6836 -5.6653 -5.6583 -5.6495 -5.6493 -1.5377 -1.5338 0.1459 0.1471 0.1632 0.1691 5.8711 5.8712 6.4808 6.4809 6.5103 6.5104 7.5768 7.5822 8.0089 8.0186 8.0469 8.0483 10.2389 10.2399 10.2669 10.2761 10.2850 10.2950 14.4404 14.4410 14.4534 14.4575 14.4724 14.4763 17.0076 17.0365 k =-0.4732 0.4724 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0026 -23.0025 -22.3514 -22.3514 -22.3470 -22.3470 -14.2058 -14.2058 -5.6843 -5.6791 -5.6613 -5.6555 -5.6477 -5.6473 -1.5439 -1.5410 0.1396 0.1409 0.1536 0.1584 5.8624 5.8625 6.4778 6.4779 6.5018 6.5019 7.5817 7.5858 8.0209 8.0285 8.0486 8.0501 10.2509 10.2520 10.2762 10.2845 10.2901 10.2995 14.4492 14.4497 14.4600 14.4632 14.4784 14.4814 17.0021 17.0254 k =-0.4821 0.4813 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0026 -22.3515 -22.3515 -22.3471 -22.3471 -14.2053 -14.2053 -5.6802 -5.6767 -5.6576 -5.6536 -5.6461 -5.6458 -1.5483 -1.5463 0.1349 0.1360 0.1473 0.1507 5.8562 5.8562 6.4758 6.4758 6.4958 6.4958 7.5854 7.5880 8.0298 8.0352 8.0502 8.0514 10.2595 10.2605 10.2830 10.2885 10.2961 10.3026 14.4555 14.4558 14.4649 14.4671 14.4828 14.4849 17.0006 17.0170 k =-0.4911 0.4902 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3516 -22.3516 -22.3471 -22.3471 -14.2050 -14.2050 -5.6776 -5.6758 -5.6548 -5.6528 -5.6451 -5.6449 -1.5507 -1.5497 0.1321 0.1326 0.1441 0.1459 5.8524 5.8524 6.4746 6.4746 6.4921 6.4922 7.5878 7.5891 8.0357 8.0385 8.0515 8.0522 10.2648 10.2654 10.2875 10.2900 10.3009 10.3041 14.4592 14.4594 14.4681 14.4693 14.4857 14.4868 17.0031 17.0120 k =-0.5000 0.4991 0.5021 ( 2800 PWs) bands (ev): -46.2841 -46.2841 -23.0027 -23.0027 -22.3517 -22.3517 -22.3472 -22.3472 -14.2049 -14.2049 -5.6762 -5.6762 -5.6532 -5.6532 -5.6446 -5.6446 -1.5512 -1.5512 0.1313 0.1313 0.1437 0.1437 5.8511 5.8511 6.4742 6.4742 6.4909 6.4909 7.5890 7.5890 8.0386 8.0386 8.0522 8.0522 10.2668 10.2668 10.2898 10.2898 10.3036 10.3036 14.4605 14.4605 14.4696 14.4696 14.4870 14.4870 17.0084 17.0084 Writing output data file BaTiO3.save init_run : 3.76s CPU 13.40s WALL ( 1 calls) electrons : 748.87s CPU 756.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 748.83s CPU 756.64s WALL ( 1 calls) v_of_rho : 0.07s CPU 1.06s WALL ( 1 calls) v_h : 0.02s CPU 0.04s WALL ( 1 calls) v_xc : 0.05s CPU 0.63s WALL ( 1 calls) newd : 0.42s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 478 calls) cegterg : 717.83s CPU 723.36s WALL ( 1250 calls) Called by sum_band: Called by *egterg: h_psi : 267.36s CPU 279.43s WALL ( 21743 calls) s_psi : 30.97s CPU 31.57s WALL ( 21743 calls) g_psi : 0.63s CPU 0.69s WALL ( 20015 calls) cdiaghg : 312.43s CPU 307.05s WALL ( 20493 calls) cegterg:over : 61.72s CPU 58.25s WALL ( 20015 calls) cegterg:upda : 8.82s CPU 13.24s WALL ( 20015 calls) cegterg:last : 9.25s CPU 10.54s WALL ( 3165 calls) Called by h_psi: h_psi:vloc : 206.84s CPU 217.17s WALL ( 21743 calls) h_psi:vnl : 60.27s CPU 61.41s WALL ( 21743 calls) add_vuspsi : 18.69s CPU 23.02s WALL ( 21743 calls) General routines calbec : 41.51s CPU 38.20s WALL ( 21743 calls) fft : 0.13s CPU 1.13s WALL ( 19 calls) ffts : 0.02s CPU 0.09s WALL ( 4 calls) fftw : 193.00s CPU 198.77s WALL ( 1765408 calls) interpolate : 0.03s CPU 0.11s WALL ( 4 calls) davcio : 0.04s CPU 1.80s WALL ( 956 calls) Parallel routines fft_scatter : 138.90s CPU 141.14s WALL ( 1765431 calls) PWSCF : 13m28.77s CPU 15m 5.76s WALL This run was terminated on: 23:48:14 10Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=