Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:12:54 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: ./Ge2N2O.save/ 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 50 29 8 1852 807 126 Max 51 30 9 1857 832 131 Sum 2429 1417 409 89019 39333 6139 bravais-lattice index = 14 lattice parameter (alat) = 10.2688 a.u. unit-cell volume = 902.7334 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.268845 celldm(2)= 1.000000 celldm(3)= 0.933560 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.450052 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.450052 0.893002 0.000000 ) a(3) = ( 0.000000 0.000000 0.933560 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.503976 -0.000000 ) b(2) = ( 0.000000 1.119818 -0.000000 ) b(3) = ( 0.000000 0.000000 1.071169 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4667799 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 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 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0088414 0.0143566 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0176828 0.0287133 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0265242 0.0430699 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0353657 0.0574266 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0442071 0.0717832 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0530485 0.0861398 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0618899 0.1004965 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0707313 0.1148531 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0795728 0.1292097 -0.0000000), wk = 0.0027933 k( 11) = ( 0.0884142 0.1435664 -0.0000000), wk = 0.0027933 k( 12) = ( 0.0972556 0.1579230 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1060970 0.1722797 -0.0000000), wk = 0.0027933 k( 14) = ( 0.1149384 0.1866363 -0.0000000), wk = 0.0027933 k( 15) = ( 0.1237798 0.2009929 -0.0000000), wk = 0.0027933 k( 16) = ( 0.1326213 0.2153496 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1414627 0.2297062 -0.0000000), wk = 0.0027933 k( 18) = ( 0.1503041 0.2440628 -0.0000000), wk = 0.0027933 k( 19) = ( 0.1591455 0.2584195 -0.0000000), wk = 0.0027933 k( 20) = ( 0.1679869 0.2727761 -0.0000000), wk = 0.0027933 k( 21) = ( 0.1768283 0.2871328 -0.0000000), wk = 0.0027933 k( 22) = ( 0.1856698 0.3014894 -0.0000000), wk = 0.0027933 k( 23) = ( 0.1945112 0.3158460 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2033526 0.3302027 -0.0000000), wk = 0.0027933 k( 25) = ( 0.2121940 0.3445593 -0.0000000), wk = 0.0027933 k( 26) = ( 0.2210354 0.3589159 -0.0000000), wk = 0.0027933 k( 27) = ( 0.2298768 0.3732726 -0.0000000), wk = 0.0027933 k( 28) = ( 0.2387183 0.3876292 -0.0000000), wk = 0.0027933 k( 29) = ( 0.2475597 0.4019859 -0.0000000), wk = 0.0027933 k( 30) = ( 0.2564011 0.4163425 -0.0000000), wk = 0.0027933 k( 31) = ( 0.2652425 0.4306991 -0.0000000), wk = 0.0027933 k( 32) = ( 0.2740839 0.4450558 -0.0000000), wk = 0.0027933 k( 33) = ( 0.2829254 0.4594124 -0.0000000), wk = 0.0027933 k( 34) = ( 0.2917668 0.4737690 -0.0000000), wk = 0.0027933 k( 35) = ( 0.3006082 0.4881257 -0.0000000), wk = 0.0027933 k( 36) = ( 0.3094496 0.5024823 -0.0000000), wk = 0.0027933 k( 37) = ( 0.3182910 0.5168390 -0.0000000), wk = 0.0027933 k( 38) = ( 0.3271325 0.5311956 -0.0000000), wk = 0.0027933 k( 39) = ( 0.3359739 0.5455522 -0.0000000), wk = 0.0027933 k( 40) = ( 0.3448153 0.5599089 -0.0000000), wk = 0.0027933 k( 41) = ( 0.3448153 0.5599089 -0.0000000), wk = 0.0027933 k( 42) = ( 0.3275745 0.5599089 -0.0000000), wk = 0.0027933 k( 43) = ( 0.3103338 0.5599089 -0.0000000), wk = 0.0027933 k( 44) = ( 0.2930930 0.5599089 -0.0000000), wk = 0.0027933 k( 45) = ( 0.2758522 0.5599089 -0.0000000), wk = 0.0027933 k( 46) = ( 0.2586115 0.5599089 -0.0000000), wk = 0.0027933 k( 47) = ( 0.2413707 0.5599089 -0.0000000), wk = 0.0027933 k( 48) = ( 0.2241299 0.5599089 -0.0000000), wk = 0.0027933 k( 49) = ( 0.2068892 0.5599089 -0.0000000), wk = 0.0027933 k( 50) = ( 0.1896484 0.5599089 -0.0000000), wk = 0.0027933 k( 51) = ( 0.1724076 0.5599089 -0.0000000), wk = 0.0027933 k( 52) = ( 0.1551669 0.5599089 -0.0000000), wk = 0.0027933 k( 53) = ( 0.1379261 0.5599089 -0.0000000), wk = 0.0027933 k( 54) = ( 0.1206853 0.5599089 -0.0000000), wk = 0.0027933 k( 55) = ( 0.1034446 0.5599089 -0.0000000), wk = 0.0027933 k( 56) = ( 0.0862038 0.5599089 -0.0000000), wk = 0.0027933 k( 57) = ( 0.0689631 0.5599089 -0.0000000), wk = 0.0027933 k( 58) = ( 0.0517223 0.5599089 -0.0000000), wk = 0.0027933 k( 59) = ( 0.0344815 0.5599089 -0.0000000), wk = 0.0027933 k( 60) = ( 0.0172408 0.5599089 -0.0000000), wk = 0.0027933 k( 61) = ( 0.0000000 0.5599089 -0.0000000), wk = 0.0027933 k( 62) = ( 0.0000000 0.5599089 -0.0000000), wk = 0.0027933 k( 63) = ( 0.0000000 0.5599089 0.0172769), wk = 0.0027933 k( 64) = ( 0.0000000 0.5599089 0.0345538), wk = 0.0027933 k( 65) = ( 0.0000000 0.5599089 0.0518307), wk = 0.0027933 k( 66) = ( 0.0000000 0.5599089 0.0691077), wk = 0.0027933 k( 67) = ( 0.0000000 0.5599089 0.0863846), wk = 0.0027933 k( 68) = ( 0.0000000 0.5599089 0.1036615), wk = 0.0027933 k( 69) = ( 0.0000000 0.5599089 0.1209384), wk = 0.0027933 k( 70) = ( 0.0000000 0.5599089 0.1382153), wk = 0.0027933 k( 71) = ( 0.0000000 0.5599089 0.1554922), wk = 0.0027933 k( 72) = ( 0.0000000 0.5599089 0.1727691), wk = 0.0027933 k( 73) = ( 0.0000000 0.5599089 0.1900461), wk = 0.0027933 k( 74) = ( 0.0000000 0.5599089 0.2073230), wk = 0.0027933 k( 75) = ( 0.0000000 0.5599089 0.2245999), wk = 0.0027933 k( 76) = ( 0.0000000 0.5599089 0.2418768), wk = 0.0027933 k( 77) = ( 0.0000000 0.5599089 0.2591537), wk = 0.0027933 k( 78) = ( 0.0000000 0.5599089 0.2764306), wk = 0.0027933 k( 79) = ( 0.0000000 0.5599089 0.2937076), wk = 0.0027933 k( 80) = ( 0.0000000 0.5599089 0.3109845), wk = 0.0027933 k( 81) = ( 0.0000000 0.5599089 0.3282614), wk = 0.0027933 k( 82) = ( 0.0000000 0.5599089 0.3455383), wk = 0.0027933 k( 83) = ( 0.0000000 0.5599089 0.3628152), wk = 0.0027933 k( 84) = ( 0.0000000 0.5599089 0.3800921), wk = 0.0027933 k( 85) = ( 0.0000000 0.5599089 0.3973690), wk = 0.0027933 k( 86) = ( 0.0000000 0.5599089 0.4146460), wk = 0.0027933 k( 87) = ( 0.0000000 0.5599089 0.4319229), wk = 0.0027933 k( 88) = ( 0.0000000 0.5599089 0.4491998), wk = 0.0027933 k( 89) = ( 0.0000000 0.5599089 0.4664767), wk = 0.0027933 k( 90) = ( 0.0000000 0.5599089 0.4837536), wk = 0.0027933 k( 91) = ( 0.0000000 0.5599089 0.5010305), wk = 0.0027933 k( 92) = ( 0.0000000 0.5599089 0.5183075), wk = 0.0027933 k( 93) = ( 0.0000000 0.5599089 0.5355844), wk = 0.0027933 k( 94) = ( 0.0000000 0.5599089 0.5355844), wk = 0.0027933 k( 95) = ( 0.0172408 0.5599089 0.5355844), wk = 0.0027933 k( 96) = ( 0.0344815 0.5599089 0.5355844), wk = 0.0027933 k( 97) = ( 0.0517223 0.5599089 0.5355844), wk = 0.0027933 k( 98) = ( 0.0689631 0.5599089 0.5355844), wk = 0.0027933 k( 99) = ( 0.0862038 0.5599089 0.5355844), wk = 0.0027933 k( 100) = ( 0.1034446 0.5599089 0.5355844), wk = 0.0027933 k( 101) = ( 0.1206853 0.5599089 0.5355844), wk = 0.0027933 k( 102) = ( 0.1379261 0.5599089 0.5355844), wk = 0.0027933 k( 103) = ( 0.1551669 0.5599089 0.5355844), wk = 0.0027933 k( 104) = ( 0.1724076 0.5599089 0.5355844), wk = 0.0027933 k( 105) = ( 0.1896484 0.5599089 0.5355844), wk = 0.0027933 k( 106) = ( 0.2068892 0.5599089 0.5355844), wk = 0.0027933 k( 107) = ( 0.2241299 0.5599089 0.5355844), wk = 0.0027933 k( 108) = ( 0.2413707 0.5599089 0.5355844), wk = 0.0027933 k( 109) = ( 0.2586115 0.5599089 0.5355844), wk = 0.0027933 k( 110) = ( 0.2758522 0.5599089 0.5355844), wk = 0.0027933 k( 111) = ( 0.2930930 0.5599089 0.5355844), wk = 0.0027933 k( 112) = ( 0.3103338 0.5599089 0.5355844), wk = 0.0027933 k( 113) = ( 0.3275745 0.5599089 0.5355844), wk = 0.0027933 k( 114) = ( 0.3448153 0.5599089 0.5355844), wk = 0.0027933 k( 115) = ( 0.3448153 0.5599089 0.5355844), wk = 0.0027933 k( 116) = ( 0.3359739 0.5455522 0.5355844), wk = 0.0027933 k( 117) = ( 0.3271325 0.5311956 0.5355844), wk = 0.0027933 k( 118) = ( 0.3182910 0.5168390 0.5355844), wk = 0.0027933 k( 119) = ( 0.3094496 0.5024823 0.5355844), wk = 0.0027933 k( 120) = ( 0.3006082 0.4881257 0.5355844), wk = 0.0027933 k( 121) = ( 0.2917668 0.4737690 0.5355844), wk = 0.0027933 k( 122) = ( 0.2829254 0.4594124 0.5355844), wk = 0.0027933 k( 123) = ( 0.2740839 0.4450558 0.5355844), wk = 0.0027933 k( 124) = ( 0.2652425 0.4306991 0.5355844), wk = 0.0027933 k( 125) = ( 0.2564011 0.4163425 0.5355844), wk = 0.0027933 k( 126) = ( 0.2475597 0.4019859 0.5355844), wk = 0.0027933 k( 127) = ( 0.2387183 0.3876292 0.5355844), wk = 0.0027933 k( 128) = ( 0.2298768 0.3732726 0.5355844), wk = 0.0027933 k( 129) = ( 0.2210354 0.3589159 0.5355844), wk = 0.0027933 k( 130) = ( 0.2121940 0.3445593 0.5355844), wk = 0.0027933 k( 131) = ( 0.2033526 0.3302027 0.5355844), wk = 0.0027933 k( 132) = ( 0.1945112 0.3158460 0.5355844), wk = 0.0027933 k( 133) = ( 0.1856698 0.3014894 0.5355844), wk = 0.0027933 k( 134) = ( 0.1768283 0.2871328 0.5355844), wk = 0.0027933 k( 135) = ( 0.1679869 0.2727761 0.5355844), wk = 0.0027933 k( 136) = ( 0.1591455 0.2584195 0.5355844), wk = 0.0027933 k( 137) = ( 0.1503041 0.2440628 0.5355844), wk = 0.0027933 k( 138) = ( 0.1414627 0.2297062 0.5355844), wk = 0.0027933 k( 139) = ( 0.1326213 0.2153496 0.5355844), wk = 0.0027933 k( 140) = ( 0.1237798 0.2009929 0.5355844), wk = 0.0027933 k( 141) = ( 0.1149384 0.1866363 0.5355844), wk = 0.0027933 k( 142) = ( 0.1060970 0.1722797 0.5355844), wk = 0.0027933 k( 143) = ( 0.0972556 0.1579230 0.5355844), wk = 0.0027933 k( 144) = ( 0.0884142 0.1435664 0.5355844), wk = 0.0027933 k( 145) = ( 0.0795728 0.1292097 0.5355844), wk = 0.0027933 k( 146) = ( 0.0707313 0.1148531 0.5355844), wk = 0.0027933 k( 147) = ( 0.0618899 0.1004965 0.5355844), wk = 0.0027933 k( 148) = ( 0.0530485 0.0861398 0.5355844), wk = 0.0027933 k( 149) = ( 0.0442071 0.0717832 0.5355844), wk = 0.0027933 k( 150) = ( 0.0353657 0.0574266 0.5355844), wk = 0.0027933 k( 151) = ( 0.0265242 0.0430699 0.5355844), wk = 0.0027933 k( 152) = ( 0.0176828 0.0287133 0.5355844), wk = 0.0027933 k( 153) = ( 0.0088414 0.0143566 0.5355844), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.5355844), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.5355844), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.5183075), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.5010305), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.4837536), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.4664767), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.4491998), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.4319229), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.4146460), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.3973690), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.3800921), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.3628152), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.3455383), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.3282614), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.3109845), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.2937076), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.2764306), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.2591537), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.2418768), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.2245999), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.2073230), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.1900461), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.1727691), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.1554922), wk = 0.0027933 k( 178) = ( 0.0000000 0.0000000 0.1382153), wk = 0.0027933 k( 179) = ( 0.0000000 0.0000000 0.1209384), wk = 0.0027933 k( 180) = ( 0.0000000 0.0000000 0.1036615), wk = 0.0027933 k( 181) = ( 0.0000000 0.0000000 0.0863846), wk = 0.0027933 k( 182) = ( 0.0000000 0.0000000 0.0691077), wk = 0.0027933 k( 183) = ( 0.0000000 0.0000000 0.0518307), wk = 0.0027933 k( 184) = ( 0.0000000 0.0000000 0.0345538), wk = 0.0027933 k( 185) = ( 0.0000000 0.0000000 0.0172769), wk = 0.0027933 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 188) = ( -0.0147059 0.0090565 0.0000000), wk = 0.0027933 k( 189) = ( -0.0294118 0.0181130 0.0000000), wk = 0.0027933 k( 190) = ( -0.0441177 0.0271695 0.0000000), wk = 0.0027933 k( 191) = ( -0.0588235 0.0362260 0.0000000), wk = 0.0027933 k( 192) = ( -0.0735294 0.0452825 0.0000000), wk = 0.0027933 k( 193) = ( -0.0882353 0.0543390 0.0000000), wk = 0.0027933 k( 194) = ( -0.1029412 0.0633955 0.0000000), wk = 0.0027933 k( 195) = ( -0.1176471 0.0724520 0.0000000), wk = 0.0027933 k( 196) = ( -0.1323529 0.0815085 0.0000000), wk = 0.0027933 k( 197) = ( -0.1470588 0.0905650 0.0000000), wk = 0.0027933 k( 198) = ( -0.1617647 0.0996215 0.0000000), wk = 0.0027933 k( 199) = ( -0.1764706 0.1086780 0.0000000), wk = 0.0027933 k( 200) = ( -0.1911765 0.1177345 0.0000000), wk = 0.0027933 k( 201) = ( -0.2058823 0.1267910 0.0000000), wk = 0.0027933 k( 202) = ( -0.2205882 0.1358475 0.0000000), wk = 0.0027933 k( 203) = ( -0.2352941 0.1449040 0.0000000), wk = 0.0027933 k( 204) = ( -0.2500000 0.1539604 0.0000000), wk = 0.0027933 k( 205) = ( -0.2647059 0.1630169 0.0000000), wk = 0.0027933 k( 206) = ( -0.2794118 0.1720734 0.0000000), wk = 0.0027933 k( 207) = ( -0.2941177 0.1811299 0.0000000), wk = 0.0027933 k( 208) = ( -0.3088235 0.1901864 0.0000000), wk = 0.0027933 k( 209) = ( -0.3235294 0.1992429 0.0000000), wk = 0.0027933 k( 210) = ( -0.3382353 0.2082994 0.0000000), wk = 0.0027933 k( 211) = ( -0.3529412 0.2173559 0.0000000), wk = 0.0027933 k( 212) = ( -0.3676471 0.2264124 0.0000000), wk = 0.0027933 k( 213) = ( -0.3823529 0.2354689 0.0000000), wk = 0.0027933 k( 214) = ( -0.3970588 0.2445254 0.0000000), wk = 0.0027933 k( 215) = ( -0.4117647 0.2535819 0.0000000), wk = 0.0027933 k( 216) = ( -0.4264706 0.2626384 0.0000000), wk = 0.0027933 k( 217) = ( -0.4411765 0.2716949 0.0000000), wk = 0.0027933 k( 218) = ( -0.4558823 0.2807514 0.0000000), wk = 0.0027933 k( 219) = ( -0.4705882 0.2898079 0.0000000), wk = 0.0027933 k( 220) = ( -0.4852941 0.2988644 0.0000000), wk = 0.0027933 k( 221) = ( -0.5000000 0.3079209 0.0000000), wk = 0.0027933 k( 222) = ( -0.5000000 0.3079209 0.0000000), wk = 0.0027933 k( 223) = ( -0.4913786 0.3219202 -0.0000000), wk = 0.0027933 k( 224) = ( -0.4827573 0.3359196 -0.0000000), wk = 0.0027933 k( 225) = ( -0.4741359 0.3499189 -0.0000000), wk = 0.0027933 k( 226) = ( -0.4655145 0.3639182 -0.0000000), wk = 0.0027933 k( 227) = ( -0.4568931 0.3779176 -0.0000000), wk = 0.0027933 k( 228) = ( -0.4482718 0.3919169 -0.0000000), wk = 0.0027933 k( 229) = ( -0.4396504 0.4059162 -0.0000000), wk = 0.0027933 k( 230) = ( -0.4310290 0.4199156 -0.0000000), wk = 0.0027933 k( 231) = ( -0.4224076 0.4339149 -0.0000000), wk = 0.0027933 k( 232) = ( -0.4137863 0.4479142 -0.0000000), wk = 0.0027933 k( 233) = ( -0.4051649 0.4619135 -0.0000000), wk = 0.0027933 k( 234) = ( -0.3965435 0.4759129 -0.0000000), wk = 0.0027933 k( 235) = ( -0.3879222 0.4899122 -0.0000000), wk = 0.0027933 k( 236) = ( -0.3793008 0.5039115 -0.0000000), wk = 0.0027933 k( 237) = ( -0.3706794 0.5179109 -0.0000000), wk = 0.0027933 k( 238) = ( -0.3620580 0.5319102 -0.0000000), wk = 0.0027933 k( 239) = ( -0.3534367 0.5459095 -0.0000000), wk = 0.0027933 k( 240) = ( -0.3448153 0.5599089 -0.0000000), wk = 0.0027933 k( 241) = ( -0.3448153 0.5599089 -0.0000000), wk = 0.0027933 k( 242) = ( -0.3448153 0.5599089 0.0172769), wk = 0.0027933 k( 243) = ( -0.3448153 0.5599089 0.0345538), wk = 0.0027933 k( 244) = ( -0.3448153 0.5599089 0.0518307), wk = 0.0027933 k( 245) = ( -0.3448153 0.5599089 0.0691077), wk = 0.0027933 k( 246) = ( -0.3448153 0.5599089 0.0863846), wk = 0.0027933 k( 247) = ( -0.3448153 0.5599089 0.1036615), wk = 0.0027933 k( 248) = ( -0.3448153 0.5599089 0.1209384), wk = 0.0027933 k( 249) = ( -0.3448153 0.5599089 0.1382153), wk = 0.0027933 k( 250) = ( -0.3448153 0.5599089 0.1554922), wk = 0.0027933 k( 251) = ( -0.3448153 0.5599089 0.1727691), wk = 0.0027933 k( 252) = ( -0.3448153 0.5599089 0.1900461), wk = 0.0027933 k( 253) = ( -0.3448153 0.5599089 0.2073230), wk = 0.0027933 k( 254) = ( -0.3448153 0.5599089 0.2245999), wk = 0.0027933 k( 255) = ( -0.3448153 0.5599089 0.2418768), wk = 0.0027933 k( 256) = ( -0.3448153 0.5599089 0.2591537), wk = 0.0027933 k( 257) = ( -0.3448153 0.5599089 0.2764306), wk = 0.0027933 k( 258) = ( -0.3448153 0.5599089 0.2937076), wk = 0.0027933 k( 259) = ( -0.3448153 0.5599089 0.3109845), wk = 0.0027933 k( 260) = ( -0.3448153 0.5599089 0.3282614), wk = 0.0027933 k( 261) = ( -0.3448153 0.5599089 0.3455383), wk = 0.0027933 k( 262) = ( -0.3448153 0.5599089 0.3628152), wk = 0.0027933 k( 263) = ( -0.3448153 0.5599089 0.3800921), wk = 0.0027933 k( 264) = ( -0.3448153 0.5599089 0.3973690), wk = 0.0027933 k( 265) = ( -0.3448153 0.5599089 0.4146460), wk = 0.0027933 k( 266) = ( -0.3448153 0.5599089 0.4319229), wk = 0.0027933 k( 267) = ( -0.3448153 0.5599089 0.4491998), wk = 0.0027933 k( 268) = ( -0.3448153 0.5599089 0.4664767), wk = 0.0027933 k( 269) = ( -0.3448153 0.5599089 0.4837536), wk = 0.0027933 k( 270) = ( -0.3448153 0.5599089 0.5010305), wk = 0.0027933 k( 271) = ( -0.3448153 0.5599089 0.5183075), wk = 0.0027933 k( 272) = ( -0.3448153 0.5599089 0.5355844), wk = 0.0027933 k( 273) = ( -0.3448153 0.5599089 0.5355844), wk = 0.0027933 k( 274) = ( -0.3534367 0.5459095 0.5355844), wk = 0.0027933 k( 275) = ( -0.3620580 0.5319102 0.5355844), wk = 0.0027933 k( 276) = ( -0.3706794 0.5179109 0.5355844), wk = 0.0027933 k( 277) = ( -0.3793008 0.5039115 0.5355844), wk = 0.0027933 k( 278) = ( -0.3879222 0.4899122 0.5355844), wk = 0.0027933 k( 279) = ( -0.3965435 0.4759129 0.5355844), wk = 0.0027933 k( 280) = ( -0.4051649 0.4619135 0.5355844), wk = 0.0027933 k( 281) = ( -0.4137863 0.4479142 0.5355844), wk = 0.0027933 k( 282) = ( -0.4224076 0.4339149 0.5355844), wk = 0.0027933 k( 283) = ( -0.4310290 0.4199156 0.5355844), wk = 0.0027933 k( 284) = ( -0.4396504 0.4059162 0.5355844), wk = 0.0027933 k( 285) = ( -0.4482718 0.3919169 0.5355844), wk = 0.0027933 k( 286) = ( -0.4568931 0.3779176 0.5355844), wk = 0.0027933 k( 287) = ( -0.4655145 0.3639182 0.5355844), wk = 0.0027933 k( 288) = ( -0.4741359 0.3499189 0.5355844), wk = 0.0027933 k( 289) = ( -0.4827573 0.3359196 0.5355844), wk = 0.0027933 k( 290) = ( -0.4913786 0.3219202 0.5355844), wk = 0.0027933 k( 291) = ( -0.5000000 0.3079209 0.5355844), wk = 0.0027933 k( 292) = ( -0.5000000 0.3079209 0.5355844), wk = 0.0027933 k( 293) = ( -0.5000000 0.3079209 0.5183075), wk = 0.0027933 k( 294) = ( -0.5000000 0.3079209 0.5010305), wk = 0.0027933 k( 295) = ( -0.5000000 0.3079209 0.4837536), wk = 0.0027933 k( 296) = ( -0.5000000 0.3079209 0.4664767), wk = 0.0027933 k( 297) = ( -0.5000000 0.3079209 0.4491998), wk = 0.0027933 k( 298) = ( -0.5000000 0.3079209 0.4319229), wk = 0.0027933 k( 299) = ( -0.5000000 0.3079209 0.4146460), wk = 0.0027933 k( 300) = ( -0.5000000 0.3079209 0.3973690), wk = 0.0027933 k( 301) = ( -0.5000000 0.3079209 0.3800921), wk = 0.0027933 k( 302) = ( -0.5000000 0.3079209 0.3628152), wk = 0.0027933 k( 303) = ( -0.5000000 0.3079209 0.3455383), wk = 0.0027933 k( 304) = ( -0.5000000 0.3079209 0.3282614), wk = 0.0027933 k( 305) = ( -0.5000000 0.3079209 0.3109845), wk = 0.0027933 k( 306) = ( -0.5000000 0.3079209 0.2937076), wk = 0.0027933 k( 307) = ( -0.5000000 0.3079209 0.2764306), wk = 0.0027933 k( 308) = ( -0.5000000 0.3079209 0.2591537), wk = 0.0027933 k( 309) = ( -0.5000000 0.3079209 0.2418768), wk = 0.0027933 k( 310) = ( -0.5000000 0.3079209 0.2245999), wk = 0.0027933 k( 311) = ( -0.5000000 0.3079209 0.2073230), wk = 0.0027933 k( 312) = ( -0.5000000 0.3079209 0.1900461), wk = 0.0027933 k( 313) = ( -0.5000000 0.3079209 0.1727691), wk = 0.0027933 k( 314) = ( -0.5000000 0.3079209 0.1554922), wk = 0.0027933 k( 315) = ( -0.5000000 0.3079209 0.1382153), wk = 0.0027933 k( 316) = ( -0.5000000 0.3079209 0.1209384), wk = 0.0027933 k( 317) = ( -0.5000000 0.3079209 0.1036615), wk = 0.0027933 k( 318) = ( -0.5000000 0.3079209 0.0863846), wk = 0.0027933 k( 319) = ( -0.5000000 0.3079209 0.0691077), wk = 0.0027933 k( 320) = ( -0.5000000 0.3079209 0.0518307), wk = 0.0027933 k( 321) = ( -0.5000000 0.3079209 0.0345538), wk = 0.0027933 k( 322) = ( -0.5000000 0.3079209 0.0172769), wk = 0.0027933 k( 323) = ( -0.5000000 0.3079209 0.0000000), wk = 0.0027933 k( 324) = ( 0.0000000 0.0000000 0.5355844), wk = 0.0027933 k( 325) = ( -0.0147059 0.0090565 0.5355844), wk = 0.0027933 k( 326) = ( -0.0294118 0.0181130 0.5355844), wk = 0.0027933 k( 327) = ( -0.0441177 0.0271695 0.5355844), wk = 0.0027933 k( 328) = ( -0.0588235 0.0362260 0.5355844), wk = 0.0027933 k( 329) = ( -0.0735294 0.0452825 0.5355844), wk = 0.0027933 k( 330) = ( -0.0882353 0.0543390 0.5355844), wk = 0.0027933 k( 331) = ( -0.1029412 0.0633955 0.5355844), wk = 0.0027933 k( 332) = ( -0.1176471 0.0724520 0.5355844), wk = 0.0027933 k( 333) = ( -0.1323529 0.0815085 0.5355844), wk = 0.0027933 k( 334) = ( -0.1470588 0.0905650 0.5355844), wk = 0.0027933 k( 335) = ( -0.1617647 0.0996215 0.5355844), wk = 0.0027933 k( 336) = ( -0.1764706 0.1086780 0.5355844), wk = 0.0027933 k( 337) = ( -0.1911765 0.1177345 0.5355844), wk = 0.0027933 k( 338) = ( -0.2058823 0.1267910 0.5355844), wk = 0.0027933 k( 339) = ( -0.2205882 0.1358475 0.5355844), wk = 0.0027933 k( 340) = ( -0.2352941 0.1449040 0.5355844), wk = 0.0027933 k( 341) = ( -0.2500000 0.1539604 0.5355844), wk = 0.0027933 k( 342) = ( -0.2647059 0.1630169 0.5355844), wk = 0.0027933 k( 343) = ( -0.2794118 0.1720734 0.5355844), wk = 0.0027933 k( 344) = ( -0.2941177 0.1811299 0.5355844), wk = 0.0027933 k( 345) = ( -0.3088235 0.1901864 0.5355844), wk = 0.0027933 k( 346) = ( -0.3235294 0.1992429 0.5355844), wk = 0.0027933 k( 347) = ( -0.3382353 0.2082994 0.5355844), wk = 0.0027933 k( 348) = ( -0.3529412 0.2173559 0.5355844), wk = 0.0027933 k( 349) = ( -0.3676471 0.2264124 0.5355844), wk = 0.0027933 k( 350) = ( -0.3823529 0.2354689 0.5355844), wk = 0.0027933 k( 351) = ( -0.3970588 0.2445254 0.5355844), wk = 0.0027933 k( 352) = ( -0.4117647 0.2535819 0.5355844), wk = 0.0027933 k( 353) = ( -0.4264706 0.2626384 0.5355844), wk = 0.0027933 k( 354) = ( -0.4411765 0.2716949 0.5355844), wk = 0.0027933 k( 355) = ( -0.4558823 0.2807514 0.5355844), wk = 0.0027933 k( 356) = ( -0.4705882 0.2898079 0.5355844), wk = 0.0027933 k( 357) = ( -0.4852941 0.2988644 0.5355844), wk = 0.0027933 k( 358) = ( -0.5000000 0.3079209 0.5355844), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0088414 0.0088414 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0176828 0.0176828 0.0000000), wk = 0.0027933 k( 4) = ( 0.0265242 0.0265242 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0353657 0.0353657 0.0000000), wk = 0.0027933 k( 6) = ( 0.0442071 0.0442071 0.0000000), wk = 0.0027933 k( 7) = ( 0.0530485 0.0530485 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0618899 0.0618899 0.0000000), wk = 0.0027933 k( 9) = ( 0.0707313 0.0707313 0.0000000), wk = 0.0027933 k( 10) = ( 0.0795728 0.0795728 -0.0000000), wk = 0.0027933 k( 11) = ( 0.0884142 0.0884142 0.0000000), wk = 0.0027933 k( 12) = ( 0.0972556 0.0972556 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1060970 0.1060970 0.0000000), wk = 0.0027933 k( 14) = ( 0.1149384 0.1149384 -0.0000000), wk = 0.0027933 k( 15) = ( 0.1237798 0.1237798 0.0000000), wk = 0.0027933 k( 16) = ( 0.1326213 0.1326213 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1414627 0.1414627 0.0000000), wk = 0.0027933 k( 18) = ( 0.1503041 0.1503041 0.0000000), wk = 0.0027933 k( 19) = ( 0.1591455 0.1591455 0.0000000), wk = 0.0027933 k( 20) = ( 0.1679869 0.1679869 -0.0000000), wk = 0.0027933 k( 21) = ( 0.1768283 0.1768283 0.0000000), wk = 0.0027933 k( 22) = ( 0.1856698 0.1856698 -0.0000000), wk = 0.0027933 k( 23) = ( 0.1945112 0.1945112 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2033526 0.2033526 0.0000000), wk = 0.0027933 k( 25) = ( 0.2121940 0.2121940 0.0000000), wk = 0.0027933 k( 26) = ( 0.2210354 0.2210354 -0.0000000), wk = 0.0027933 k( 27) = ( 0.2298768 0.2298768 -0.0000000), wk = 0.0027933 k( 28) = ( 0.2387183 0.2387183 -0.0000000), wk = 0.0027933 k( 29) = ( 0.2475597 0.2475597 -0.0000000), wk = 0.0027933 k( 30) = ( 0.2564011 0.2564011 -0.0000000), wk = 0.0027933 k( 31) = ( 0.2652425 0.2652425 -0.0000000), wk = 0.0027933 k( 32) = ( 0.2740839 0.2740839 -0.0000000), wk = 0.0027933 k( 33) = ( 0.2829254 0.2829254 0.0000000), wk = 0.0027933 k( 34) = ( 0.2917668 0.2917668 0.0000000), wk = 0.0027933 k( 35) = ( 0.3006082 0.3006082 -0.0000000), wk = 0.0027933 k( 36) = ( 0.3094496 0.3094496 0.0000000), wk = 0.0027933 k( 37) = ( 0.3182910 0.3182910 -0.0000000), wk = 0.0027933 k( 38) = ( 0.3271325 0.3271325 0.0000000), wk = 0.0027933 k( 39) = ( 0.3359739 0.3359739 -0.0000000), wk = 0.0027933 k( 40) = ( 0.3448153 0.3448153 0.0000000), wk = 0.0027933 k( 41) = ( 0.3448153 0.3448153 0.0000000), wk = 0.0027933 k( 42) = ( 0.3275745 0.3525745 0.0000000), wk = 0.0027933 k( 43) = ( 0.3103338 0.3603338 -0.0000000), wk = 0.0027933 k( 44) = ( 0.2930930 0.3680930 0.0000000), wk = 0.0027933 k( 45) = ( 0.2758522 0.3758522 0.0000000), wk = 0.0027933 k( 46) = ( 0.2586115 0.3836115 0.0000000), wk = 0.0027933 k( 47) = ( 0.2413707 0.3913707 -0.0000000), wk = 0.0027933 k( 48) = ( 0.2241299 0.3991299 -0.0000000), wk = 0.0027933 k( 49) = ( 0.2068892 0.4068892 -0.0000000), wk = 0.0027933 k( 50) = ( 0.1896484 0.4146484 0.0000000), wk = 0.0027933 k( 51) = ( 0.1724076 0.4224076 0.0000000), wk = 0.0027933 k( 52) = ( 0.1551669 0.4301669 0.0000000), wk = 0.0027933 k( 53) = ( 0.1379261 0.4379261 0.0000000), wk = 0.0027933 k( 54) = ( 0.1206853 0.4456853 -0.0000000), wk = 0.0027933 k( 55) = ( 0.1034446 0.4534446 -0.0000000), wk = 0.0027933 k( 56) = ( 0.0862038 0.4612038 0.0000000), wk = 0.0027933 k( 57) = ( 0.0689631 0.4689631 0.0000000), wk = 0.0027933 k( 58) = ( 0.0517223 0.4767223 -0.0000000), wk = 0.0027933 k( 59) = ( 0.0344815 0.4844815 0.0000000), wk = 0.0027933 k( 60) = ( 0.0172408 0.4922408 0.0000000), wk = 0.0027933 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 63) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0027933 k( 64) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0027933 k( 65) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0027933 k( 66) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0027933 k( 67) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0027933 k( 68) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0027933 k( 69) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0027933 k( 70) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0027933 k( 71) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0027933 k( 72) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0027933 k( 73) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0027933 k( 74) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0027933 k( 75) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0027933 k( 76) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0027933 k( 77) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0027933 k( 78) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0027933 k( 79) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0027933 k( 80) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0027933 k( 81) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0027933 k( 82) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0027933 k( 83) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0027933 k( 84) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0027933 k( 85) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0027933 k( 86) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0027933 k( 87) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0027933 k( 88) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0027933 k( 89) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0027933 k( 90) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0027933 k( 91) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0027933 k( 92) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0027933 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 95) = ( 0.0172408 0.4922408 0.5000000), wk = 0.0027933 k( 96) = ( 0.0344815 0.4844815 0.5000000), wk = 0.0027933 k( 97) = ( 0.0517223 0.4767223 0.5000000), wk = 0.0027933 k( 98) = ( 0.0689631 0.4689631 0.5000000), wk = 0.0027933 k( 99) = ( 0.0862038 0.4612038 0.5000000), wk = 0.0027933 k( 100) = ( 0.1034446 0.4534446 0.5000000), wk = 0.0027933 k( 101) = ( 0.1206853 0.4456853 0.5000000), wk = 0.0027933 k( 102) = ( 0.1379261 0.4379261 0.5000000), wk = 0.0027933 k( 103) = ( 0.1551669 0.4301669 0.5000000), wk = 0.0027933 k( 104) = ( 0.1724076 0.4224076 0.5000000), wk = 0.0027933 k( 105) = ( 0.1896484 0.4146484 0.5000000), wk = 0.0027933 k( 106) = ( 0.2068892 0.4068892 0.5000000), wk = 0.0027933 k( 107) = ( 0.2241299 0.3991299 0.5000000), wk = 0.0027933 k( 108) = ( 0.2413707 0.3913707 0.5000000), wk = 0.0027933 k( 109) = ( 0.2586115 0.3836115 0.5000000), wk = 0.0027933 k( 110) = ( 0.2758522 0.3758522 0.5000000), wk = 0.0027933 k( 111) = ( 0.2930930 0.3680930 0.5000000), wk = 0.0027933 k( 112) = ( 0.3103338 0.3603338 0.5000000), wk = 0.0027933 k( 113) = ( 0.3275745 0.3525745 0.5000000), wk = 0.0027933 k( 114) = ( 0.3448153 0.3448153 0.5000000), wk = 0.0027933 k( 115) = ( 0.3448153 0.3448153 0.5000000), wk = 0.0027933 k( 116) = ( 0.3359739 0.3359739 0.5000000), wk = 0.0027933 k( 117) = ( 0.3271325 0.3271325 0.5000000), wk = 0.0027933 k( 118) = ( 0.3182910 0.3182910 0.5000000), wk = 0.0027933 k( 119) = ( 0.3094496 0.3094496 0.5000000), wk = 0.0027933 k( 120) = ( 0.3006082 0.3006082 0.5000000), wk = 0.0027933 k( 121) = ( 0.2917668 0.2917668 0.5000000), wk = 0.0027933 k( 122) = ( 0.2829254 0.2829254 0.5000000), wk = 0.0027933 k( 123) = ( 0.2740839 0.2740839 0.5000000), wk = 0.0027933 k( 124) = ( 0.2652425 0.2652425 0.5000000), wk = 0.0027933 k( 125) = ( 0.2564011 0.2564011 0.5000000), wk = 0.0027933 k( 126) = ( 0.2475597 0.2475597 0.5000000), wk = 0.0027933 k( 127) = ( 0.2387183 0.2387183 0.5000000), wk = 0.0027933 k( 128) = ( 0.2298768 0.2298768 0.5000000), wk = 0.0027933 k( 129) = ( 0.2210354 0.2210354 0.5000000), wk = 0.0027933 k( 130) = ( 0.2121940 0.2121940 0.5000000), wk = 0.0027933 k( 131) = ( 0.2033526 0.2033526 0.5000000), wk = 0.0027933 k( 132) = ( 0.1945112 0.1945112 0.5000000), wk = 0.0027933 k( 133) = ( 0.1856698 0.1856698 0.5000000), wk = 0.0027933 k( 134) = ( 0.1768283 0.1768283 0.5000000), wk = 0.0027933 k( 135) = ( 0.1679869 0.1679869 0.5000000), wk = 0.0027933 k( 136) = ( 0.1591455 0.1591455 0.5000000), wk = 0.0027933 k( 137) = ( 0.1503041 0.1503041 0.5000000), wk = 0.0027933 k( 138) = ( 0.1414627 0.1414627 0.5000000), wk = 0.0027933 k( 139) = ( 0.1326213 0.1326213 0.5000000), wk = 0.0027933 k( 140) = ( 0.1237798 0.1237798 0.5000000), wk = 0.0027933 k( 141) = ( 0.1149384 0.1149384 0.5000000), wk = 0.0027933 k( 142) = ( 0.1060970 0.1060970 0.5000000), wk = 0.0027933 k( 143) = ( 0.0972556 0.0972556 0.5000000), wk = 0.0027933 k( 144) = ( 0.0884142 0.0884142 0.5000000), wk = 0.0027933 k( 145) = ( 0.0795728 0.0795728 0.5000000), wk = 0.0027933 k( 146) = ( 0.0707313 0.0707313 0.5000000), wk = 0.0027933 k( 147) = ( 0.0618899 0.0618899 0.5000000), wk = 0.0027933 k( 148) = ( 0.0530485 0.0530485 0.5000000), wk = 0.0027933 k( 149) = ( 0.0442071 0.0442071 0.5000000), wk = 0.0027933 k( 150) = ( 0.0353657 0.0353657 0.5000000), wk = 0.0027933 k( 151) = ( 0.0265242 0.0265242 0.5000000), wk = 0.0027933 k( 152) = ( 0.0176828 0.0176828 0.5000000), wk = 0.0027933 k( 153) = ( 0.0088414 0.0088414 0.5000000), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.3225806), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0027933 k( 178) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0027933 k( 179) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0027933 k( 180) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0027933 k( 181) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0027933 k( 182) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0027933 k( 183) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0027933 k( 184) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0027933 k( 185) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0027933 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 188) = ( -0.0147059 0.0147059 -0.0000000), wk = 0.0027933 k( 189) = ( -0.0294118 0.0294118 -0.0000000), wk = 0.0027933 k( 190) = ( -0.0441177 0.0441177 0.0000000), wk = 0.0027933 k( 191) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0027933 k( 192) = ( -0.0735294 0.0735294 0.0000000), wk = 0.0027933 k( 193) = ( -0.0882353 0.0882353 -0.0000000), wk = 0.0027933 k( 194) = ( -0.1029412 0.1029412 -0.0000000), wk = 0.0027933 k( 195) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0027933 k( 196) = ( -0.1323529 0.1323529 -0.0000000), wk = 0.0027933 k( 197) = ( -0.1470588 0.1470588 0.0000000), wk = 0.0027933 k( 198) = ( -0.1617647 0.1617647 0.0000000), wk = 0.0027933 k( 199) = ( -0.1764706 0.1764706 -0.0000000), wk = 0.0027933 k( 200) = ( -0.1911765 0.1911765 -0.0000000), wk = 0.0027933 k( 201) = ( -0.2058823 0.2058823 -0.0000000), wk = 0.0027933 k( 202) = ( -0.2205882 0.2205882 -0.0000000), wk = 0.0027933 k( 203) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0027933 k( 204) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0027933 k( 205) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0027933 k( 206) = ( -0.2794118 0.2794118 0.0000000), wk = 0.0027933 k( 207) = ( -0.2941177 0.2941177 0.0000000), wk = 0.0027933 k( 208) = ( -0.3088235 0.3088235 0.0000000), wk = 0.0027933 k( 209) = ( -0.3235294 0.3235294 -0.0000000), wk = 0.0027933 k( 210) = ( -0.3382353 0.3382353 0.0000000), wk = 0.0027933 k( 211) = ( -0.3529412 0.3529412 -0.0000000), wk = 0.0027933 k( 212) = ( -0.3676471 0.3676471 -0.0000000), wk = 0.0027933 k( 213) = ( -0.3823529 0.3823529 -0.0000000), wk = 0.0027933 k( 214) = ( -0.3970588 0.3970588 -0.0000000), wk = 0.0027933 k( 215) = ( -0.4117647 0.4117647 -0.0000000), wk = 0.0027933 k( 216) = ( -0.4264706 0.4264706 0.0000000), wk = 0.0027933 k( 217) = ( -0.4411765 0.4411765 0.0000000), wk = 0.0027933 k( 218) = ( -0.4558823 0.4558824 0.0000000), wk = 0.0027933 k( 219) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0027933 k( 220) = ( -0.4852941 0.4852941 -0.0000000), wk = 0.0027933 k( 221) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 222) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 223) = ( -0.4913786 0.5086214 0.0000000), wk = 0.0027933 k( 224) = ( -0.4827573 0.5172427 0.0000000), wk = 0.0027933 k( 225) = ( -0.4741359 0.5258641 0.0000000), wk = 0.0027933 k( 226) = ( -0.4655145 0.5344855 -0.0000000), wk = 0.0027933 k( 227) = ( -0.4568931 0.5431069 -0.0000000), wk = 0.0027933 k( 228) = ( -0.4482718 0.5517282 0.0000000), wk = 0.0027933 k( 229) = ( -0.4396504 0.5603496 0.0000000), wk = 0.0027933 k( 230) = ( -0.4310290 0.5689710 0.0000000), wk = 0.0027933 k( 231) = ( -0.4224076 0.5775924 0.0000000), wk = 0.0027933 k( 232) = ( -0.4137863 0.5862137 -0.0000000), wk = 0.0027933 k( 233) = ( -0.4051649 0.5948351 0.0000000), wk = 0.0027933 k( 234) = ( -0.3965435 0.6034565 -0.0000000), wk = 0.0027933 k( 235) = ( -0.3879222 0.6120779 -0.0000000), wk = 0.0027933 k( 236) = ( -0.3793008 0.6206992 -0.0000000), wk = 0.0027933 k( 237) = ( -0.3706794 0.6293206 -0.0000000), wk = 0.0027933 k( 238) = ( -0.3620580 0.6379420 0.0000000), wk = 0.0027933 k( 239) = ( -0.3534367 0.6465634 -0.0000000), wk = 0.0027933 k( 240) = ( -0.3448153 0.6551847 -0.0000000), wk = 0.0027933 k( 241) = ( -0.3448153 0.6551847 -0.0000000), wk = 0.0027933 k( 242) = ( -0.3448153 0.6551847 0.0161290), wk = 0.0027933 k( 243) = ( -0.3448153 0.6551847 0.0322581), wk = 0.0027933 k( 244) = ( -0.3448153 0.6551847 0.0483871), wk = 0.0027933 k( 245) = ( -0.3448153 0.6551847 0.0645161), wk = 0.0027933 k( 246) = ( -0.3448153 0.6551847 0.0806452), wk = 0.0027933 k( 247) = ( -0.3448153 0.6551847 0.0967742), wk = 0.0027933 k( 248) = ( -0.3448153 0.6551847 0.1129032), wk = 0.0027933 k( 249) = ( -0.3448153 0.6551847 0.1290323), wk = 0.0027933 k( 250) = ( -0.3448153 0.6551847 0.1451613), wk = 0.0027933 k( 251) = ( -0.3448153 0.6551847 0.1612903), wk = 0.0027933 k( 252) = ( -0.3448153 0.6551847 0.1774194), wk = 0.0027933 k( 253) = ( -0.3448153 0.6551847 0.1935484), wk = 0.0027933 k( 254) = ( -0.3448153 0.6551847 0.2096774), wk = 0.0027933 k( 255) = ( -0.3448153 0.6551847 0.2258064), wk = 0.0027933 k( 256) = ( -0.3448153 0.6551847 0.2419355), wk = 0.0027933 k( 257) = ( -0.3448153 0.6551847 0.2580645), wk = 0.0027933 k( 258) = ( -0.3448153 0.6551847 0.2741936), wk = 0.0027933 k( 259) = ( -0.3448153 0.6551847 0.2903226), wk = 0.0027933 k( 260) = ( -0.3448153 0.6551847 0.3064516), wk = 0.0027933 k( 261) = ( -0.3448153 0.6551847 0.3225806), wk = 0.0027933 k( 262) = ( -0.3448153 0.6551847 0.3387097), wk = 0.0027933 k( 263) = ( -0.3448153 0.6551847 0.3548387), wk = 0.0027933 k( 264) = ( -0.3448153 0.6551847 0.3709677), wk = 0.0027933 k( 265) = ( -0.3448153 0.6551847 0.3870968), wk = 0.0027933 k( 266) = ( -0.3448153 0.6551847 0.4032258), wk = 0.0027933 k( 267) = ( -0.3448153 0.6551847 0.4193548), wk = 0.0027933 k( 268) = ( -0.3448153 0.6551847 0.4354839), wk = 0.0027933 k( 269) = ( -0.3448153 0.6551847 0.4516129), wk = 0.0027933 k( 270) = ( -0.3448153 0.6551847 0.4677419), wk = 0.0027933 k( 271) = ( -0.3448153 0.6551847 0.4838710), wk = 0.0027933 k( 272) = ( -0.3448153 0.6551847 0.5000000), wk = 0.0027933 k( 273) = ( -0.3448153 0.6551847 0.5000000), wk = 0.0027933 k( 274) = ( -0.3534367 0.6465634 0.5000000), wk = 0.0027933 k( 275) = ( -0.3620580 0.6379420 0.5000000), wk = 0.0027933 k( 276) = ( -0.3706794 0.6293206 0.5000000), wk = 0.0027933 k( 277) = ( -0.3793008 0.6206992 0.5000000), wk = 0.0027933 k( 278) = ( -0.3879222 0.6120779 0.5000000), wk = 0.0027933 k( 279) = ( -0.3965435 0.6034565 0.5000000), wk = 0.0027933 k( 280) = ( -0.4051649 0.5948351 0.5000000), wk = 0.0027933 k( 281) = ( -0.4137863 0.5862137 0.5000000), wk = 0.0027933 k( 282) = ( -0.4224076 0.5775924 0.5000000), wk = 0.0027933 k( 283) = ( -0.4310290 0.5689710 0.5000000), wk = 0.0027933 k( 284) = ( -0.4396504 0.5603496 0.5000000), wk = 0.0027933 k( 285) = ( -0.4482718 0.5517282 0.5000000), wk = 0.0027933 k( 286) = ( -0.4568931 0.5431069 0.5000000), wk = 0.0027933 k( 287) = ( -0.4655145 0.5344855 0.5000000), wk = 0.0027933 k( 288) = ( -0.4741359 0.5258641 0.5000000), wk = 0.0027933 k( 289) = ( -0.4827573 0.5172427 0.5000000), wk = 0.0027933 k( 290) = ( -0.4913786 0.5086214 0.5000000), wk = 0.0027933 k( 291) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 292) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 293) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0027933 k( 294) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0027933 k( 295) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0027933 k( 296) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0027933 k( 297) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0027933 k( 298) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0027933 k( 299) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0027933 k( 300) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0027933 k( 301) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0027933 k( 302) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0027933 k( 303) = ( -0.5000000 0.5000000 0.3225806), wk = 0.0027933 k( 304) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0027933 k( 305) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0027933 k( 306) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0027933 k( 307) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0027933 k( 308) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0027933 k( 309) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0027933 k( 310) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0027933 k( 311) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0027933 k( 312) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0027933 k( 313) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0027933 k( 314) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0027933 k( 315) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0027933 k( 316) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0027933 k( 317) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0027933 k( 318) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0027933 k( 319) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0027933 k( 320) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0027933 k( 321) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0027933 k( 322) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0027933 k( 323) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 324) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 325) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0027933 k( 326) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0027933 k( 327) = ( -0.0441177 0.0441177 0.5000000), wk = 0.0027933 k( 328) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0027933 k( 329) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0027933 k( 330) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0027933 k( 331) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0027933 k( 332) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0027933 k( 333) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0027933 k( 334) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0027933 k( 335) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0027933 k( 336) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0027933 k( 337) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0027933 k( 338) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0027933 k( 339) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0027933 k( 340) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0027933 k( 341) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027933 k( 342) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0027933 k( 343) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0027933 k( 344) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0027933 k( 345) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0027933 k( 346) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0027933 k( 347) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0027933 k( 348) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0027933 k( 349) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0027933 k( 350) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0027933 k( 351) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0027933 k( 352) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0027933 k( 353) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0027933 k( 354) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0027933 k( 355) = ( -0.4558823 0.4558824 0.5000000), wk = 0.0027933 k( 356) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0027933 k( 357) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0027933 k( 358) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 Dense grid: 89019 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 39333 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 216, 58) NL pseudopotentials 0.23 Mb ( 108, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1857) G-vector shells 0.01 Mb ( 936) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 216, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.8 secs Computing kpt #: 2 total cpu time spent up to now is 42.1 secs Computing kpt #: 3 total cpu time spent up to now is 44.4 secs Computing kpt #: 4 total cpu time spent up to now is 47.1 secs Computing kpt #: 5 total cpu time spent up to now is 49.6 secs Computing kpt #: 6 total cpu time spent up to now is 52.3 secs Computing kpt #: 7 total cpu time spent up to now is 54.8 secs Computing kpt #: 8 total cpu time spent up to now is 57.7 secs Computing kpt #: 9 total cpu time spent up to now is 61.5 secs Computing kpt #: 10 total cpu time spent up to now is 64.8 secs Computing kpt #: 11 total cpu time spent up to now is 67.5 secs Computing kpt #: 12 total cpu time spent up to now is 70.2 secs Computing kpt #: 13 total cpu time spent up to now is 72.8 secs Computing kpt #: 14 total cpu time spent up to now is 75.2 secs Computing kpt #: 15 total cpu time spent up to now is 77.7 secs Computing kpt #: 16 total cpu time spent up to now is 80.1 secs Computing kpt #: 17 total cpu time spent up to now is 82.6 secs Computing kpt #: 18 total cpu time spent up to now is 85.0 secs Computing kpt #: 19 total cpu time spent up to now is 87.4 secs Computing kpt #: 20 total cpu time spent up to now is 90.1 secs Computing kpt #: 21 total cpu time spent up to now is 92.8 secs Computing kpt #: 22 total cpu time spent up to now is 95.3 secs Computing kpt #: 23 total cpu time spent up to now is 98.0 secs Computing kpt #: 24 total cpu time spent up to now is 100.3 secs Computing kpt #: 25 total cpu time spent up to now is 102.8 secs Computing kpt #: 26 total cpu time spent up to now is 105.3 secs Computing kpt #: 27 total cpu time spent up to now is 107.9 secs Computing kpt #: 28 total cpu time spent up to now is 110.3 secs Computing kpt #: 29 total cpu time spent up to now is 112.6 secs Computing kpt #: 30 total cpu time spent up to now is 114.8 secs Computing kpt #: 31 total cpu time spent up to now is 116.9 secs Computing kpt #: 32 total cpu time spent up to now is 119.1 secs Computing kpt #: 33 total cpu time spent up to now is 121.4 secs Computing kpt #: 34 total cpu time spent up to now is 123.5 secs Computing kpt #: 35 total cpu time spent up to now is 125.7 secs Computing kpt #: 36 total cpu time spent up to now is 127.7 secs Computing kpt #: 37 total cpu time spent up to now is 129.9 secs Computing kpt #: 38 total cpu time spent up to now is 132.1 secs Computing kpt #: 39 total cpu time spent up to now is 134.7 secs Computing kpt #: 40 total cpu time spent up to now is 136.6 secs Computing kpt #: 41 total cpu time spent up to now is 138.5 secs Computing kpt #: 42 total cpu time spent up to now is 140.5 secs Computing kpt #: 43 total cpu time spent up to now is 143.2 secs Computing kpt #: 44 total cpu time spent up to now is 145.4 secs Computing kpt #: 45 total cpu time spent up to now is 147.4 secs Computing kpt #: 46 total cpu time spent up to now is 149.5 secs Computing kpt #: 47 total cpu time spent up to now is 151.6 secs Computing kpt #: 48 total cpu time spent up to now is 153.8 secs Computing kpt #: 49 total cpu time spent up to now is 156.0 secs Computing kpt #: 50 total cpu time spent up to now is 158.3 secs Computing kpt #: 51 total cpu time spent up to now is 160.5 secs Computing kpt #: 52 total cpu time spent up to now is 163.0 secs Computing kpt #: 53 total cpu time spent up to now is 165.4 secs Computing kpt #: 54 total cpu time spent up to now is 167.7 secs Computing kpt #: 55 total cpu time spent up to now is 170.1 secs Computing kpt #: 56 total cpu time spent up to now is 172.5 secs Computing kpt #: 57 total cpu time spent up to now is 175.2 secs Computing kpt #: 58 total cpu time spent up to now is 177.8 secs Computing kpt #: 59 total cpu time spent up to now is 180.1 secs Computing kpt #: 60 total cpu time spent up to now is 182.6 secs Computing kpt #: 61 total cpu time spent up to now is 185.0 secs Computing kpt #: 62 total cpu time spent up to now is 187.5 secs Computing kpt #: 63 total cpu time spent up to now is 189.7 secs Computing kpt #: 64 total cpu time spent up to now is 192.5 secs Computing kpt #: 65 total cpu time spent up to now is 194.7 secs Computing kpt #: 66 total cpu time spent up to now is 196.9 secs Computing kpt #: 67 total cpu time spent up to now is 199.2 secs Computing kpt #: 68 total cpu time spent up to now is 201.5 secs Computing kpt #: 69 total cpu time spent up to now is 203.6 secs Computing kpt #: 70 total cpu time spent up to now is 205.7 secs Computing kpt #: 71 total cpu time spent up to now is 208.0 secs Computing kpt #: 72 total cpu time spent up to now is 210.2 secs Computing kpt #: 73 total cpu time spent up to now is 212.4 secs Computing kpt #: 74 total cpu time spent up to now is 214.7 secs Computing kpt #: 75 total cpu time spent up to now is 216.8 secs Computing kpt #: 76 total cpu time spent up to now is 219.1 secs Computing kpt #: 77 total cpu time spent up to now is 221.9 secs Computing kpt #: 78 total cpu time spent up to now is 224.6 secs Computing kpt #: 79 total cpu time spent up to now is 227.5 secs Computing kpt #: 80 total cpu time spent up to now is 231.0 secs Computing kpt #: 81 total cpu time spent up to now is 235.8 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 241.0 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.0 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.8 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.6 secs Computing kpt #: 86 total cpu time spent up to now is 259.7 secs Computing kpt #: 87 total cpu time spent up to now is 264.2 secs Computing kpt #: 88 total cpu time spent up to now is 268.7 secs Computing kpt #: 89 total cpu time spent up to now is 272.0 secs Computing kpt #: 90 total cpu time spent up to now is 275.7 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.5 secs Computing kpt #: 92 total cpu time spent up to now is 283.7 secs Computing kpt #: 93 total cpu time spent up to now is 287.5 secs Computing kpt #: 94 total cpu time spent up to now is 290.7 secs Computing kpt #: 95 total cpu time spent up to now is 293.9 secs Computing kpt #: 96 total cpu time spent up to now is 297.0 secs Computing kpt #: 97 total cpu time spent up to now is 300.2 secs Computing kpt #: 98 total cpu time spent up to now is 304.4 secs Computing kpt #: 99 total cpu time spent up to now is 307.1 secs Computing kpt #: 100 total cpu time spent up to now is 310.2 secs Computing kpt #: 101 total cpu time spent up to now is 314.1 secs Computing kpt #: 102 total cpu time spent up to now is 317.2 secs Computing kpt #: 103 total cpu time spent up to now is 320.2 secs Computing kpt #: 104 total cpu time spent up to now is 323.1 secs Computing kpt #: 105 total cpu time spent up to now is 326.0 secs Computing kpt #: 106 total cpu time spent up to now is 328.8 secs Computing kpt #: 107 total cpu time spent up to now is 331.9 secs Computing kpt #: 108 total cpu time spent up to now is 335.1 secs Computing kpt #: 109 total cpu time spent up to now is 337.9 secs Computing kpt #: 110 total cpu time spent up to now is 340.8 secs Computing kpt #: 111 total cpu time spent up to now is 343.7 secs Computing kpt #: 112 total cpu time spent up to now is 346.9 secs Computing kpt #: 113 total cpu time spent up to now is 351.1 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 355.6 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.9 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.6 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.4 secs Computing kpt #: 118 total cpu time spent up to now is 373.7 secs Computing kpt #: 119 total cpu time spent up to now is 377.7 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 382.1 secs Computing kpt #: 121 total cpu time spent up to now is 385.5 secs Computing kpt #: 122 total cpu time spent up to now is 389.2 secs Computing kpt #: 123 total cpu time spent up to now is 392.5 secs Computing kpt #: 124 total cpu time spent up to now is 396.4 secs Computing kpt #: 125 total cpu time spent up to now is 399.8 secs Computing kpt #: 126 total cpu time spent up to now is 403.8 secs Computing kpt #: 127 total cpu time spent up to now is 407.6 secs Computing kpt #: 128 total cpu time spent up to now is 411.6 secs Computing kpt #: 129 total cpu time spent up to now is 414.9 secs Computing kpt #: 130 total cpu time spent up to now is 418.5 secs Computing kpt #: 131 total cpu time spent up to now is 422.3 secs Computing kpt #: 132 total cpu time spent up to now is 426.1 secs Computing kpt #: 133 total cpu time spent up to now is 429.9 secs Computing kpt #: 134 total cpu time spent up to now is 433.8 secs Computing kpt #: 135 total cpu time spent up to now is 438.1 secs Computing kpt #: 136 total cpu time spent up to now is 441.4 secs Computing kpt #: 137 total cpu time spent up to now is 445.3 secs Computing kpt #: 138 total cpu time spent up to now is 449.0 secs Computing kpt #: 139 total cpu time spent up to now is 452.9 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 457.5 secs Computing kpt #: 141 total cpu time spent up to now is 460.8 secs Computing kpt #: 142 total cpu time spent up to now is 463.3 secs Computing kpt #: 143 total cpu time spent up to now is 467.2 secs Computing kpt #: 144 total cpu time spent up to now is 471.2 secs Computing kpt #: 145 total cpu time spent up to now is 474.4 secs Computing kpt #: 146 total cpu time spent up to now is 477.0 secs Computing kpt #: 147 total cpu time spent up to now is 479.4 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 484.2 secs Computing kpt #: 149 total cpu time spent up to now is 488.5 secs Computing kpt #: 150 total cpu time spent up to now is 491.1 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 495.7 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 500.1 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.7 secs Computing kpt #: 154 total cpu time spent up to now is 506.7 secs Computing kpt #: 155 total cpu time spent up to now is 508.9 secs Computing kpt #: 156 total cpu time spent up to now is 511.3 secs Computing kpt #: 157 total cpu time spent up to now is 513.4 secs Computing kpt #: 158 total cpu time spent up to now is 515.3 secs Computing kpt #: 159 total cpu time spent up to now is 517.1 secs Computing kpt #: 160 total cpu time spent up to now is 518.9 secs Computing kpt #: 161 total cpu time spent up to now is 520.7 secs Computing kpt #: 162 total cpu time spent up to now is 522.6 secs Computing kpt #: 163 total cpu time spent up to now is 524.8 secs Computing kpt #: 164 total cpu time spent up to now is 526.6 secs Computing kpt #: 165 total cpu time spent up to now is 528.4 secs Computing kpt #: 166 total cpu time spent up to now is 530.2 secs Computing kpt #: 167 total cpu time spent up to now is 532.0 secs Computing kpt #: 168 total cpu time spent up to now is 534.4 secs Computing kpt #: 169 total cpu time spent up to now is 536.2 secs Computing kpt #: 170 total cpu time spent up to now is 538.0 secs Computing kpt #: 171 total cpu time spent up to now is 540.1 secs Computing kpt #: 172 total cpu time spent up to now is 542.1 secs Computing kpt #: 173 total cpu time spent up to now is 544.1 secs Computing kpt #: 174 total cpu time spent up to now is 546.1 secs Computing kpt #: 175 total cpu time spent up to now is 548.3 secs Computing kpt #: 176 total cpu time spent up to now is 550.2 secs Computing kpt #: 177 total cpu time spent up to now is 552.5 secs Computing kpt #: 178 total cpu time spent up to now is 554.8 secs Computing kpt #: 179 total cpu time spent up to now is 556.9 secs Computing kpt #: 180 total cpu time spent up to now is 558.9 secs Computing kpt #: 181 total cpu time spent up to now is 560.9 secs Computing kpt #: 182 total cpu time spent up to now is 563.0 secs Computing kpt #: 183 total cpu time spent up to now is 565.1 secs Computing kpt #: 184 total cpu time spent up to now is 567.1 secs Computing kpt #: 185 total cpu time spent up to now is 569.1 secs Computing kpt #: 186 total cpu time spent up to now is 571.1 secs Computing kpt #: 187 total cpu time spent up to now is 573.6 secs Computing kpt #: 188 total cpu time spent up to now is 575.9 secs Computing kpt #: 189 total cpu time spent up to now is 578.1 secs Computing kpt #: 190 total cpu time spent up to now is 580.3 secs Computing kpt #: 191 total cpu time spent up to now is 583.0 secs Computing kpt #: 192 total cpu time spent up to now is 585.6 secs Computing kpt #: 193 total cpu time spent up to now is 588.2 secs Computing kpt #: 194 total cpu time spent up to now is 590.9 secs Computing kpt #: 195 total cpu time spent up to now is 593.4 secs Computing kpt #: 196 total cpu time spent up to now is 595.9 secs Computing kpt #: 197 total cpu time spent up to now is 598.3 secs Computing kpt #: 198 total cpu time spent up to now is 600.8 secs Computing kpt #: 199 total cpu time spent up to now is 603.4 secs Computing kpt #: 200 total cpu time spent up to now is 606.2 secs Computing kpt #: 201 total cpu time spent up to now is 608.4 secs Computing kpt #: 202 total cpu time spent up to now is 610.5 secs Computing kpt #: 203 total cpu time spent up to now is 612.7 secs Computing kpt #: 204 total cpu time spent up to now is 614.9 secs Computing kpt #: 205 total cpu time spent up to now is 617.2 secs Computing kpt #: 206 total cpu time spent up to now is 619.3 secs Computing kpt #: 207 total cpu time spent up to now is 621.4 secs Computing kpt #: 208 total cpu time spent up to now is 623.7 secs Computing kpt #: 209 total cpu time spent up to now is 626.0 secs Computing kpt #: 210 total cpu time spent up to now is 628.4 secs Computing kpt #: 211 total cpu time spent up to now is 630.5 secs Computing kpt #: 212 total cpu time spent up to now is 632.9 secs Computing kpt #: 213 total cpu time spent up to now is 635.2 secs Computing kpt #: 214 total cpu time spent up to now is 637.4 secs Computing kpt #: 215 total cpu time spent up to now is 639.9 secs Computing kpt #: 216 total cpu time spent up to now is 642.4 secs Computing kpt #: 217 total cpu time spent up to now is 644.8 secs Computing kpt #: 218 total cpu time spent up to now is 647.1 secs Computing kpt #: 219 total cpu time spent up to now is 649.2 secs Computing kpt #: 220 total cpu time spent up to now is 651.4 secs Computing kpt #: 221 total cpu time spent up to now is 653.4 secs Computing kpt #: 222 total cpu time spent up to now is 655.3 secs Computing kpt #: 223 total cpu time spent up to now is 657.6 secs Computing kpt #: 224 total cpu time spent up to now is 660.7 secs Computing kpt #: 225 total cpu time spent up to now is 663.7 secs Computing kpt #: 226 total cpu time spent up to now is 666.0 secs Computing kpt #: 227 total cpu time spent up to now is 668.2 secs Computing kpt #: 228 total cpu time spent up to now is 670.3 secs Computing kpt #: 229 total cpu time spent up to now is 672.5 secs Computing kpt #: 230 total cpu time spent up to now is 674.6 secs Computing kpt #: 231 total cpu time spent up to now is 677.2 secs Computing kpt #: 232 total cpu time spent up to now is 679.3 secs Computing kpt #: 233 total cpu time spent up to now is 681.3 secs Computing kpt #: 234 total cpu time spent up to now is 683.3 secs Computing kpt #: 235 total cpu time spent up to now is 685.5 secs Computing kpt #: 236 total cpu time spent up to now is 687.5 secs Computing kpt #: 237 total cpu time spent up to now is 689.7 secs Computing kpt #: 238 total cpu time spent up to now is 692.1 secs Computing kpt #: 239 total cpu time spent up to now is 694.0 secs Computing kpt #: 240 total cpu time spent up to now is 695.9 secs Computing kpt #: 241 total cpu time spent up to now is 697.9 secs Computing kpt #: 242 total cpu time spent up to now is 700.0 secs Computing kpt #: 243 total cpu time spent up to now is 702.5 secs Computing kpt #: 244 total cpu time spent up to now is 704.3 secs Computing kpt #: 245 total cpu time spent up to now is 706.3 secs Computing kpt #: 246 total cpu time spent up to now is 708.3 secs Computing kpt #: 247 total cpu time spent up to now is 710.1 secs Computing kpt #: 248 total cpu time spent up to now is 711.9 secs Computing kpt #: 249 total cpu time spent up to now is 713.9 secs Computing kpt #: 250 total cpu time spent up to now is 716.0 secs Computing kpt #: 251 total cpu time spent up to now is 718.0 secs Computing kpt #: 252 total cpu time spent up to now is 720.4 secs Computing kpt #: 253 total cpu time spent up to now is 722.6 secs Computing kpt #: 254 total cpu time spent up to now is 724.9 secs Computing kpt #: 255 total cpu time spent up to now is 727.4 secs Computing kpt #: 256 total cpu time spent up to now is 729.9 secs Computing kpt #: 257 total cpu time spent up to now is 732.4 secs Computing kpt #: 258 total cpu time spent up to now is 734.7 secs Computing kpt #: 259 total cpu time spent up to now is 737.1 secs Computing kpt #: 260 total cpu time spent up to now is 739.6 secs Computing kpt #: 261 total cpu time spent up to now is 742.5 secs Computing kpt #: 262 total cpu time spent up to now is 744.8 secs Computing kpt #: 263 total cpu time spent up to now is 747.2 secs Computing kpt #: 264 total cpu time spent up to now is 749.7 secs Computing kpt #: 265 total cpu time spent up to now is 752.4 secs Computing kpt #: 266 total cpu time spent up to now is 754.8 secs Computing kpt #: 267 total cpu time spent up to now is 757.4 secs Computing kpt #: 268 total cpu time spent up to now is 760.0 secs Computing kpt #: 269 total cpu time spent up to now is 762.7 secs Computing kpt #: 270 total cpu time spent up to now is 765.5 secs Computing kpt #: 271 total cpu time spent up to now is 769.1 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 773.5 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 779.1 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 783.7 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 788.7 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 793.4 secs Computing kpt #: 277 total cpu time spent up to now is 797.6 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 802.5 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 807.1 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 811.9 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 816.5 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 821.3 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 826.2 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 830.7 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 835.4 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 840.3 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 845.4 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 850.2 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 855.1 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 859.8 secs Computing kpt #: 291 total cpu time spent up to now is 861.9 secs Computing kpt #: 292 total cpu time spent up to now is 863.9 secs Computing kpt #: 293 total cpu time spent up to now is 866.7 secs Computing kpt #: 294 total cpu time spent up to now is 869.2 secs Computing kpt #: 295 total cpu time spent up to now is 871.5 secs Computing kpt #: 296 total cpu time spent up to now is 874.4 secs Computing kpt #: 297 total cpu time spent up to now is 876.6 secs Computing kpt #: 298 total cpu time spent up to now is 878.8 secs Computing kpt #: 299 total cpu time spent up to now is 881.1 secs Computing kpt #: 300 total cpu time spent up to now is 883.2 secs Computing kpt #: 301 total cpu time spent up to now is 885.2 secs Computing kpt #: 302 total cpu time spent up to now is 887.3 secs Computing kpt #: 303 total cpu time spent up to now is 889.5 secs Computing kpt #: 304 total cpu time spent up to now is 891.6 secs Computing kpt #: 305 total cpu time spent up to now is 894.0 secs Computing kpt #: 306 total cpu time spent up to now is 896.3 secs Computing kpt #: 307 total cpu time spent up to now is 898.4 secs Computing kpt #: 308 total cpu time spent up to now is 901.0 secs Computing kpt #: 309 total cpu time spent up to now is 903.3 secs Computing kpt #: 310 total cpu time spent up to now is 905.7 secs Computing kpt #: 311 total cpu time spent up to now is 908.3 secs Computing kpt #: 312 total cpu time spent up to now is 910.7 secs Computing kpt #: 313 total cpu time spent up to now is 913.2 secs Computing kpt #: 314 total cpu time spent up to now is 916.5 secs Computing kpt #: 315 total cpu time spent up to now is 919.1 secs Computing kpt #: 316 total cpu time spent up to now is 921.6 secs Computing kpt #: 317 total cpu time spent up to now is 924.3 secs Computing kpt #: 318 total cpu time spent up to now is 926.7 secs Computing kpt #: 319 total cpu time spent up to now is 928.9 secs Computing kpt #: 320 total cpu time spent up to now is 931.1 secs Computing kpt #: 321 total cpu time spent up to now is 933.2 secs Computing kpt #: 322 total cpu time spent up to now is 935.3 secs Computing kpt #: 323 total cpu time spent up to now is 937.4 secs Computing kpt #: 324 total cpu time spent up to now is 939.7 secs Computing kpt #: 325 total cpu time spent up to now is 943.1 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 947.6 secs Computing kpt #: 327 total cpu time spent up to now is 950.2 secs Computing kpt #: 328 total cpu time spent up to now is 954.1 secs Computing kpt #: 329 total cpu time spent up to now is 956.6 secs Computing kpt #: 330 total cpu time spent up to now is 961.2 secs Computing kpt #: 331 total cpu time spent up to now is 966.7 secs Computing kpt #: 332 total cpu time spent up to now is 969.3 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 974.5 secs Computing kpt #: 334 total cpu time spent up to now is 978.6 secs Computing kpt #: 335 total cpu time spent up to now is 982.6 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 987.8 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 992.3 secs Computing kpt #: 338 total cpu time spent up to now is 996.9 secs Computing kpt #: 339 total cpu time spent up to now is 1001.4 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1006.1 secs Computing kpt #: 341 total cpu time spent up to now is 1010.4 secs Computing kpt #: 342 total cpu time spent up to now is 1014.9 secs Computing kpt #: 343 total cpu time spent up to now is 1018.7 secs Computing kpt #: 344 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1023.4 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1028.1 secs Computing kpt #: 346 total cpu time spent up to now is 1032.6 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1037.3 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1042.0 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1046.6 secs Computing kpt #: 350 total cpu time spent up to now is 1050.1 secs Computing kpt #: 351 total cpu time spent up to now is 1054.2 secs Computing kpt #: 352 total cpu time spent up to now is 1058.0 secs Computing kpt #: 353 total cpu time spent up to now is 1062.0 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1066.6 secs Computing kpt #: 355 total cpu time spent up to now is 1070.3 secs Computing kpt #: 356 total cpu time spent up to now is 1073.9 secs Computing kpt #: 357 total cpu time spent up to now is 1078.5 secs Computing kpt #: 358 total cpu time spent up to now is 1080.5 secs ethr = 2.08E-11, avg # of iterations = 53.0 total cpu time spent up to now is 1080.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4893 PWs) bands (ev): -13.4240 -13.4240 -12.8082 -12.8082 -11.0905 -11.0905 -9.7058 -9.7058 -9.4726 -9.4726 -9.2182 -9.2182 -4.2534 -4.2534 -3.4770 -3.4770 -3.3837 -3.3837 -0.8130 -0.8130 -0.7736 -0.7736 -0.5299 -0.5299 0.5744 0.5744 1.3481 1.3481 1.4394 1.4394 1.5521 1.5521 2.3281 2.3281 2.4949 2.4949 3.1219 3.1219 3.4888 3.4888 4.0107 4.0107 4.0771 4.0771 4.1309 4.1309 4.2372 4.2372 7.1333 7.1333 9.3407 9.3407 9.4099 9.4099 10.3394 10.3394 12.1236 12.1236 k = 0.0088 0.0144-0.0000 ( 4903 PWs) bands (ev): -13.4235 -13.4235 -12.8083 -12.8083 -11.0901 -11.0899 -9.7207 -9.7136 -9.4671 -9.4585 -9.2185 -9.2175 -4.2528 -4.2524 -3.5078 -3.5012 -3.3580 -3.3498 -0.8248 -0.8063 -0.7762 -0.7735 -0.5361 -0.5196 0.5764 0.5794 1.3482 1.3491 1.4360 1.4385 1.5480 1.5517 2.3248 2.3281 2.4943 2.4993 3.1229 3.1231 3.4874 3.4877 3.9991 4.0056 4.0761 4.0768 4.1335 4.1383 4.2372 4.2373 7.1373 7.1374 9.3417 9.3420 9.4113 9.4125 10.3403 10.3406 12.1149 12.1185 k = 0.0177 0.0287-0.0000 ( 4899 PWs) bands (ev): -13.4223 -13.4222 -12.8085 -12.8084 -11.0888 -11.0884 -9.7526 -9.7411 -9.4447 -9.4304 -9.2181 -9.2162 -4.2508 -4.2500 -3.5564 -3.5493 -3.3039 -3.2935 -0.8413 -0.8047 -0.7805 -0.7767 -0.5374 -0.5062 0.5852 0.5912 1.3493 1.3511 1.4284 1.4335 1.5392 1.5467 2.3188 2.3247 2.4977 2.5072 3.1261 3.1264 3.4834 3.4842 3.9750 3.9854 4.0745 4.0754 4.1437 4.1514 4.2373 4.2373 7.1494 7.1495 9.3449 9.3456 9.4166 9.4191 10.3435 10.3440 12.0945 12.1008 k = 0.0265 0.0431-0.0000 ( 4907 PWs) bands (ev): -13.4201 -13.4200 -12.8087 -12.8087 -11.0867 -11.0860 -9.7943 -9.7809 -9.4130 -9.3953 -9.2173 -9.2144 -4.2472 -4.2461 -3.6066 -3.6000 -3.2427 -3.2311 -0.8619 -0.8088 -0.7863 -0.7829 -0.5331 -0.4905 0.6007 0.6096 1.3513 1.3541 1.4167 1.4245 1.5260 1.5372 2.3109 2.3187 2.5044 2.5174 3.1311 3.1316 3.4771 3.4782 3.9431 3.9556 4.0724 4.0732 4.1567 4.1656 4.2373 4.2374 7.1693 7.1694 9.3504 9.3513 9.4259 9.4296 10.3488 10.3495 12.0660 12.0738 k = 0.0354 0.0574-0.0000 ( 4913 PWs) bands (ev): -13.4171 -13.4170 -12.8091 -12.8091 -11.0836 -11.0827 -9.8417 -9.8276 -9.3774 -9.3576 -9.2158 -9.2121 -4.2422 -4.2406 -3.6555 -3.6496 -3.1782 -3.1656 -0.8859 -0.8202 -0.7933 -0.7901 -0.5233 -0.4728 0.6223 0.6341 1.3535 1.3578 1.4011 1.4120 1.5084 1.5232 2.3019 2.3108 2.5135 2.5293 3.1376 3.1382 3.4684 3.4698 3.9062 3.9200 4.0696 4.0703 4.1693 4.1787 4.2373 4.2375 7.1966 7.1968 9.3580 9.3592 9.4389 9.4438 10.3561 10.3571 12.0319 12.0406 k = 0.0442 0.0718-0.0000 ( 4915 PWs) bands (ev): -13.4133 -13.4131 -12.8096 -12.8096 -11.0796 -11.0785 -9.8926 -9.8783 -9.3407 -9.3193 -9.2139 -9.2092 -4.2357 -4.2337 -3.7024 -3.6972 -3.1111 -3.0977 -0.9126 -0.8389 -0.8016 -0.7973 -0.5085 -0.4531 0.6497 0.6641 1.3543 1.3601 1.3838 1.3977 1.4867 1.5049 2.2925 2.3020 2.5242 2.5420 3.1450 3.1455 3.4576 3.4593 3.8660 3.8807 4.0663 4.0667 4.1806 4.1901 4.2374 4.2375 7.2310 7.2311 9.3677 9.3691 9.4555 9.4615 10.3653 10.3667 11.9939 12.0030 k = 0.0530 0.0861-0.0000 ( 4929 PWs) bands (ev): -13.4086 -13.4084 -12.8102 -12.8102 -11.0746 -11.0734 -9.9457 -9.9316 -9.3043 -9.2817 -9.2114 -9.2059 -4.2277 -4.2254 -3.7469 -3.7424 -3.0421 -3.0278 -0.9414 -0.8630 -0.8111 -0.8049 -0.4893 -0.4315 0.6821 0.6990 1.3482 1.3487 1.3771 1.3872 1.4610 1.4825 2.2832 2.2928 2.5356 2.5550 3.1522 3.1526 3.4451 3.4471 3.8236 3.8391 4.0623 4.0625 4.1901 4.1995 4.2374 4.2375 7.2720 7.2720 9.3794 9.3810 9.4753 9.4824 10.3763 10.3779 11.9532 11.9624 k = 0.0619 0.1005-0.0000 ( 4921 PWs) bands (ev): -13.4031 -13.4029 -12.8109 -12.8109 -11.0688 -11.0673 -10.0004 -9.9867 -9.2691 -9.2454 -9.2083 -9.2020 -4.2183 -4.2156 -3.7890 -3.7852 -2.9712 -2.9561 -0.9718 -0.8908 -0.8219 -0.8135 -0.4664 -0.4077 0.7190 0.7383 1.3224 1.3292 1.3819 1.3862 1.4317 1.4563 2.2742 2.2836 2.5473 2.5678 3.1581 3.1581 3.4318 3.4339 3.7801 3.7963 4.0578 4.0579 4.1980 4.2072 4.2373 4.2375 7.3188 7.3188 9.3930 9.3947 9.4982 9.5062 10.3889 10.3908 11.9102 11.9194 k = 0.0707 0.1149-0.0000 ( 4925 PWs) bands (ev): -13.3968 -13.3966 -12.8118 -12.8117 -11.0620 -11.0603 -10.0564 -10.0431 -9.2359 -9.2111 -9.2043 -9.1973 -4.2074 -4.2043 -3.8285 -3.8254 -2.8989 -2.8829 -1.0034 -0.9211 -0.8340 -0.8233 -0.4402 -0.3818 0.7597 0.7813 1.2904 1.3010 1.3881 1.3888 1.4015 1.4275 2.2656 2.2747 2.5588 2.5802 3.1603 3.1608 3.4190 3.4208 3.7365 3.7532 4.0529 4.0530 4.2046 4.2134 4.2372 4.2374 7.3709 7.3710 9.4083 9.4101 9.5236 9.5325 10.4027 10.4049 11.8656 11.8745 k = 0.0796 0.1292-0.0000 ( 4921 PWs) bands (ev): -13.3897 -13.3895 -12.8127 -12.8126 -11.0542 -11.0523 -10.1131 -10.1003 -9.2084 -9.1961 -9.1935 -9.1775 -4.1951 -4.1917 -3.8655 -3.8630 -2.8251 -2.8084 -1.0356 -0.9529 -0.8473 -0.8343 -0.4109 -0.3535 0.8038 0.8275 1.2543 1.2670 1.3609 1.3823 1.4010 1.4085 2.2575 2.2662 2.5700 2.5920 3.1570 3.1583 3.4083 3.4096 3.6936 3.7106 4.0476 4.0478 4.2100 4.2186 4.2370 4.2372 7.4277 7.4279 9.4254 9.4272 9.5511 9.5610 10.4176 10.4200 11.8197 11.8283 k = 0.0884 0.1436-0.0000 ( 4929 PWs) bands (ev): -13.3819 -13.3816 -12.8137 -12.8136 -11.0455 -11.0434 -10.1705 -10.1582 -9.1990 -9.1881 -9.1713 -9.1472 -4.1814 -4.1777 -3.8999 -3.8980 -2.7501 -2.7327 -1.0679 -0.9855 -0.8617 -0.8465 -0.3788 -0.3228 0.8505 0.8762 1.2145 1.2283 1.3221 1.3491 1.4100 1.4142 2.2498 2.2580 2.5805 2.6030 3.1462 3.1483 3.4016 3.4020 3.6519 3.6692 4.0421 4.0424 4.2148 4.2230 4.2368 4.2370 7.4886 7.4889 9.4440 9.4459 9.5805 9.5910 10.4329 10.4356 11.7729 11.7811 k = 0.0973 0.1579-0.0000 ( 4925 PWs) bands (ev): -13.3734 -13.3731 -12.8148 -12.8147 -11.0358 -11.0335 -10.2283 -10.2165 -9.1937 -9.1824 -9.1443 -9.1191 -4.1664 -4.1623 -3.9317 -3.9304 -2.6741 -2.6559 -1.1001 -1.0182 -0.8773 -0.8599 -0.3439 -0.2897 0.8994 0.9270 1.1713 1.1856 1.2803 1.3087 1.4204 1.4246 2.2424 2.2500 2.5903 2.6130 3.1266 3.1297 3.3995 3.4000 3.6120 3.6293 4.0365 4.0370 4.2192 4.2270 4.2366 4.2367 7.5529 7.5534 9.4640 9.4659 9.6112 9.6224 10.4485 10.4514 11.7255 11.7333 k = 0.1061 0.1723-0.0000 ( 4921 PWs) bands (ev): -13.3642 -13.3638 -12.8160 -12.8159 -11.0252 -11.0226 -10.2864 -10.2751 -9.1884 -9.1764 -9.1192 -9.0933 -4.1500 -4.1456 -3.9611 -3.9603 -2.5971 -2.5782 -1.1317 -1.0506 -0.8940 -0.8744 -0.3065 -0.2540 0.9496 0.9793 1.1253 1.1390 1.2359 1.2645 1.4317 1.4363 2.2351 2.2422 2.5991 2.6220 3.0987 3.1024 3.4019 3.4033 3.5742 3.5912 4.0309 4.0315 4.2233 4.2309 4.2364 4.2365 7.6201 7.6208 9.4854 9.4871 9.6429 9.6547 10.4635 10.4667 11.6781 11.6853 k = 0.1149 0.1866-0.0000 ( 4917 PWs) bands (ev): -13.3543 -13.3539 -12.8173 -12.8172 -11.0136 -11.0107 -10.3445 -10.3337 -9.1829 -9.1701 -9.0964 -9.0699 -4.1323 -4.1276 -3.9880 -3.9877 -2.5193 -2.4997 -1.1623 -1.0822 -0.9117 -0.8900 -0.2665 -0.2159 0.9991 1.0319 1.0780 1.0894 1.1895 1.2174 1.4437 1.4488 2.2279 2.2344 2.6070 2.6299 3.0637 3.0678 3.4082 3.4105 3.5386 3.5551 4.0254 4.0262 4.2274 4.2349 4.2360 4.2365 7.6896 7.6906 9.5078 9.5094 9.6753 9.6875 10.4775 10.4809 11.6309 11.6377 k = 0.1238 0.2010-0.0000 ( 4913 PWs) bands (ev): -13.3438 -13.3434 -12.8187 -12.8185 -11.0009 -10.9978 -10.4026 -10.3923 -9.1772 -9.1635 -9.0759 -9.0490 -4.1133 -4.1083 -4.0128 -4.0127 -2.4410 -2.4207 -1.1917 -1.1127 -0.9304 -0.9065 -0.2240 -0.1753 1.0138 1.0337 1.0618 1.0844 1.1445 1.1693 1.4563 1.4619 2.2205 2.2265 2.6139 2.6366 3.0233 3.0277 3.4170 3.4202 3.5054 3.5211 4.0202 4.0211 4.2310 4.2357 4.2372 4.2391 7.7610 7.7624 9.5312 9.5326 9.7080 9.7206 10.4895 10.4932 11.5847 11.5910 k = 0.1326 0.2153-0.0000 ( 4920 PWs) bands (ev): -13.3327 -13.3323 -12.8201 -12.8200 -10.9873 -10.9839 -10.4606 -10.4508 -9.1712 -9.1567 -9.0578 -9.0306 -4.0931 -4.0879 -4.0357 -4.0351 -2.3621 -2.3412 -1.2194 -1.1416 -0.9500 -0.9240 -0.1793 -0.1323 0.9640 0.9776 1.0799 1.0871 1.1394 1.1523 1.4694 1.4754 2.2129 2.2184 2.6196 2.6421 2.9791 2.9836 3.4259 3.4308 3.4758 3.4897 4.0154 4.0164 4.2330 4.2354 4.2398 4.2435 7.8338 7.8355 9.5553 9.5565 9.7409 9.7537 10.4988 10.5028 11.5400 11.5459 k = 0.1415 0.2297-0.0000 ( 4912 PWs) bands (ev): -13.3211 -13.3206 -12.8217 -12.8215 -10.9726 -10.9690 -10.5182 -10.5089 -9.1649 -9.1496 -9.0421 -9.0146 -4.0719 -4.0667 -4.0564 -4.0551 -2.2830 -2.2615 -1.2452 -1.1686 -0.9704 -0.9424 -0.1322 -0.0870 0.9071 0.9176 1.0297 1.0469 1.1773 1.2048 1.4830 1.4893 2.2050 2.2100 2.6240 2.6464 2.9325 2.9371 3.4265 3.4376 3.4570 3.4645 4.0111 4.0121 4.2337 4.2353 4.2441 4.2482 7.9075 7.9096 9.5800 9.5810 9.7737 9.7867 10.5044 10.5085 11.4977 11.5032 k = 0.1503 0.2441-0.0000 ( 4920 PWs) bands (ev): -13.3090 -13.3085 -12.8233 -12.8232 -10.9569 -10.9530 -10.5755 -10.5666 -9.1585 -9.1424 -9.0288 -9.0012 -4.0755 -4.0745 -4.0490 -4.0431 -2.2037 -2.1816 -1.2688 -1.1935 -0.9916 -0.9615 -0.0830 -0.0394 0.8470 0.8545 0.9754 0.9905 1.2298 1.2597 1.4971 1.5035 2.1968 2.2012 2.6272 2.6494 2.8846 2.8892 3.4070 3.4226 3.4603 3.4631 4.0073 4.0084 4.2341 4.2353 4.2491 4.2532 7.9818 7.9843 9.6050 9.6057 9.8066 9.8195 10.5052 10.5094 11.4585 11.4636 k = 0.1591 0.2584-0.0000 ( 4928 PWs) bands (ev): -13.2964 -13.2959 -12.8250 -12.8249 -10.9401 -10.9360 -10.6323 -10.6239 -9.1520 -9.1350 -9.0178 -8.9901 -4.0925 -4.0912 -4.0254 -4.0193 -2.1245 -2.1017 -1.2900 -1.2160 -1.0135 -0.9813 -0.0317 0.0102 0.7841 0.7883 0.9194 0.9308 1.2837 1.3143 1.5121 1.5182 2.1880 2.1920 2.6288 2.6510 2.8361 2.8410 3.3824 3.3974 3.4703 3.4733 4.0042 4.0053 4.2346 4.2356 4.2543 4.2582 8.0562 8.0593 9.6302 9.6305 9.8394 9.8521 10.5001 10.5046 11.4231 11.4280 k = 0.1680 0.2728-0.0000 ( 4926 PWs) bands (ev): -13.2835 -13.2829 -12.8267 -12.8266 -10.9223 -10.9179 -10.6886 -10.6805 -9.1454 -9.1276 -9.0091 -8.9813 -4.1080 -4.1064 -4.0007 -3.9944 -2.0454 -2.0220 -1.3085 -1.2359 -1.0360 -1.0018 0.0214 0.0618 0.7183 0.7190 0.8625 0.8694 1.3371 1.3672 1.5286 1.5337 2.1789 2.1823 2.6288 2.6510 2.7878 2.7932 3.3583 3.3727 3.4809 3.4843 4.0019 4.0030 4.2353 4.2363 4.2594 4.2631 8.1305 8.1341 9.6553 9.6553 9.8723 9.8848 10.4884 10.4930 11.3922 11.3969 k = 0.1768 0.2871-0.0000 ( 4914 PWs) bands (ev): -13.2701 -13.2695 -12.8285 -12.8284 -10.9034 -10.8987 -10.7441 -10.7365 -9.1388 -9.1201 -9.0025 -8.9748 -4.1220 -4.1202 -3.9750 -3.9686 -1.9668 -1.9427 -1.3240 -1.2529 -1.0590 -1.0228 0.0763 0.1153 0.6466 0.6495 0.8050 0.8072 1.3886 1.4164 1.5483 1.5507 2.1694 2.1723 2.6265 2.6492 2.7404 2.7468 3.3357 3.3494 3.4910 3.4948 4.0004 4.0015 4.2365 4.2373 4.2643 4.2677 8.2044 8.2085 9.6800 9.6803 9.9054 9.9176 10.4695 10.4741 11.3661 11.3706 k = 0.1857 0.3015-0.0000 ( 4926 PWs) bands (ev): -13.2565 -13.2559 -12.8304 -12.8303 -10.8835 -10.8784 -10.7989 -10.7918 -9.1322 -9.1128 -8.9981 -8.9704 -4.1348 -4.1329 -3.9483 -3.9418 -1.8887 -1.8640 -1.3363 -1.2668 -1.0824 -1.0442 0.1326 0.1703 0.5712 0.5775 0.7447 0.7474 1.4361 1.4586 1.5709 1.5741 2.1595 2.1619 2.6205 2.6440 2.6959 2.7036 3.3150 3.3279 3.5003 3.5044 3.9999 4.0008 4.2381 4.2389 4.2686 4.2717 8.2775 8.2823 9.7042 9.7049 9.9390 9.9507 10.4430 10.4476 11.3448 11.3491 k = 0.1945 0.3158-0.0000 ( 4912 PWs) bands (ev): -13.2426 -13.2420 -12.8322 -12.8321 -10.8630 -10.8571 -10.8524 -10.8461 -9.1257 -9.1055 -8.9956 -8.9681 -4.1465 -4.1445 -3.9208 -3.9141 -1.8115 -1.7860 -1.3451 -1.2773 -1.1061 -1.0659 0.1903 0.2266 0.4931 0.5024 0.6827 0.6901 1.4764 1.4904 1.5973 1.6092 2.1493 2.1511 2.6066 2.6274 2.6625 2.6680 3.2962 3.3084 3.5085 3.5130 4.0003 4.0011 4.2404 4.2410 4.2721 4.2751 8.3497 8.3551 9.7282 9.7292 9.9732 9.9844 10.4091 10.4137 11.3279 11.3318 k = 0.2034 0.3302-0.0000 ( 4912 PWs) bands (ev): -13.2286 -13.2279 -12.8341 -12.8340 -10.9063 -10.8997 -10.8400 -10.8345 -9.1194 -9.0985 -8.9949 -8.9677 -4.1574 -4.1553 -3.8925 -3.8857 -1.7356 -1.7090 -1.3501 -1.2843 -1.1300 -1.0879 0.2489 0.2834 0.4129 0.4243 0.6215 0.6332 1.5067 1.5120 1.6323 1.6530 2.1387 2.1400 2.5795 2.5911 2.6456 2.6486 3.2794 3.2909 3.5155 3.5204 4.0018 4.0024 4.2433 4.2439 4.2745 4.2774 8.4207 8.4267 9.7518 9.7531 10.0082 10.0189 10.3683 10.3729 11.3145 11.3179 k = 0.2122 0.3446-0.0000 ( 4908 PWs) bands (ev): -13.2144 -13.2137 -12.8360 -12.8360 -10.9584 -10.9522 -10.8167 -10.8109 -9.1134 -9.0918 -8.9960 -8.9691 -4.1676 -4.1654 -3.8634 -3.8565 -1.6614 -1.6335 -1.3508 -1.2873 -1.1539 -1.1099 0.3047 0.3171 0.3466 0.3542 0.5614 0.5771 1.5266 1.5274 1.6754 1.7022 2.1277 2.1285 2.5431 2.5496 2.6327 2.6403 3.2647 3.2754 3.5213 3.5265 4.0043 4.0047 4.2471 4.2475 4.2758 4.2785 8.4902 8.4970 9.7751 9.7767 10.0442 10.0544 10.3214 10.3260 11.3033 11.3056 k = 0.2210 0.3589-0.0000 ( 4906 PWs) bands (ev): -13.2001 -13.1994 -12.8379 -12.8379 -11.0096 -11.0037 -10.7923 -10.7861 -9.1077 -9.0854 -8.9987 -8.9721 -4.1772 -4.1749 -3.8336 -3.8267 -1.5898 -1.5598 -1.3463 -1.2859 -1.1776 -1.1319 0.2392 0.2555 0.3717 0.4054 0.5029 0.5219 1.5369 1.5412 1.7236 1.7541 2.1163 2.1164 2.5044 2.5084 2.6226 2.6319 3.2522 3.2621 3.5258 3.5314 4.0080 4.0080 4.2517 4.2521 4.2756 4.2782 8.5583 8.5658 9.7983 9.8001 10.0813 10.0910 10.2693 10.2738 11.2923 11.2930 k = 0.2299 0.3733-0.0000 ( 4906 PWs) bands (ev): -13.1858 -13.1851 -12.8398 -12.8398 -11.0597 -11.0542 -10.7667 -10.7603 -9.1024 -9.0794 -9.0028 -8.9767 -4.1864 -4.1841 -3.8032 -3.7963 -1.5225 -1.4891 -1.3351 -1.2792 -1.2010 -1.1537 0.1517 0.1694 0.4271 0.4499 0.4626 0.4695 1.5442 1.5506 1.7743 1.8069 2.1037 2.1042 2.4663 2.4689 2.6127 2.6226 3.2418 3.2509 3.5290 3.5350 4.0123 4.0126 4.2573 4.2577 4.2737 4.2762 8.6246 8.6329 9.8216 9.8235 10.1195 10.1287 10.2130 10.2173 11.2767 11.2784 k = 0.2387 0.3876-0.0000 ( 4916 PWs) bands (ev): -13.1716 -13.1708 -12.8417 -12.8417 -11.1086 -11.1034 -10.7400 -10.7332 -9.0976 -9.0740 -9.0083 -8.9826 -4.1953 -4.1930 -3.7723 -3.7653 -1.4628 -1.4232 -1.3142 -1.2653 -1.2237 -1.1751 0.0619 0.0804 0.3879 0.4143 0.4938 0.5242 1.5494 1.5571 1.8260 1.8600 2.0901 2.0913 2.4301 2.4317 2.6023 2.6122 3.2334 3.2418 3.5308 3.5372 4.0176 4.0183 4.2636 4.2643 4.2705 4.2724 8.6891 8.6982 9.8450 9.8470 10.1529 10.1571 10.1591 10.1679 11.2517 11.2558 k = 0.2476 0.4020-0.0000 ( 4912 PWs) bands (ev): -13.1574 -13.1567 -12.8435 -12.8435 -11.1564 -11.1515 -10.7122 -10.7051 -9.0934 -9.0693 -9.0149 -8.9898 -4.2041 -4.2017 -3.7409 -3.7340 -1.4147 -1.3659 -1.2803 -1.2449 -1.2408 -1.1959 -0.0295 -0.0104 0.3337 0.3623 0.5535 0.5834 1.5529 1.5614 1.8779 1.9128 2.0752 2.0771 2.3967 2.3975 2.5910 2.6007 3.2271 3.2346 3.5313 3.5381 4.0238 4.0250 4.2635 4.2666 4.2723 4.2728 8.7518 8.7616 9.8688 9.8707 10.0907 10.0948 10.1994 10.2079 11.2130 11.2169 k = 0.2564 0.4163-0.0000 ( 4910 PWs) bands (ev): -13.1434 -13.1426 -12.8452 -12.8452 -11.2029 -11.1983 -10.6833 -10.6758 -9.0899 -9.0652 -9.0227 -8.9981 -4.2129 -4.2104 -3.7090 -3.7022 -1.3792 -1.3214 -1.2680 -1.2290 -1.2171 -1.2001 -0.1222 -0.1028 0.2808 0.3116 0.6125 0.6416 1.5553 1.5642 1.9294 1.9650 2.0587 2.0615 2.3666 2.3668 2.5788 2.5880 3.2227 3.2295 3.5305 3.5377 4.0310 4.0327 4.2560 4.2589 4.2813 4.2815 8.8125 8.8232 9.8929 9.8946 10.0267 10.0304 10.2411 10.2492 11.1594 11.1602 k = 0.2652 0.4307-0.0000 ( 4914 PWs) bands (ev): -13.1296 -13.1288 -12.8469 -12.8469 -11.2482 -11.2438 -10.6533 -10.6454 -9.0872 -9.0620 -9.0313 -9.0074 -4.2216 -4.2192 -3.6769 -3.6702 -1.3524 -1.2882 -1.2851 -1.2358 -1.1719 -1.1480 -0.2158 -0.1963 0.2291 0.2621 0.6701 0.6981 1.5569 1.5659 1.9798 2.0153 2.0407 2.0447 2.3401 2.3404 2.5657 2.5744 3.2201 3.2261 3.5284 3.5360 4.0391 4.0413 4.2462 4.2490 4.2916 4.2918 8.8714 8.8828 9.9172 9.9180 9.9622 9.9649 10.2839 10.2916 11.0924 11.0953 k = 0.2741 0.4451-0.0000 ( 4910 PWs) bands (ev): -13.1161 -13.1153 -12.8485 -12.8484 -11.2921 -11.2879 -10.6222 -10.6139 -9.0854 -9.0597 -9.0407 -9.0174 -4.2304 -4.2280 -3.6444 -3.6378 -1.3355 -1.2939 -1.2608 -1.2531 -1.1103 -1.0885 -0.3100 -0.2906 0.1789 0.2138 0.7253 0.7523 1.5583 1.5671 2.0138 2.0216 2.0360 2.0687 2.3177 2.3184 2.5520 2.5599 3.2192 3.2245 3.5250 3.5330 4.0481 4.0507 4.2341 4.2369 4.3031 4.3033 8.9283 8.9405 9.8929 9.8977 9.9431 9.9461 10.3277 10.3351 11.0204 11.0262 k = 0.2829 0.4594-0.0000 ( 4912 PWs) bands (ev): -13.1030 -13.1022 -12.8499 -12.8499 -11.3346 -11.3307 -10.5900 -10.5814 -9.0845 -9.0584 -9.0508 -9.0282 -4.2393 -4.2369 -3.6117 -3.6053 -1.3390 -1.2805 -1.2716 -1.2318 -1.0477 -1.0269 -0.4045 -0.3851 0.1299 0.1667 0.7773 0.8032 1.5601 1.5685 1.9940 1.9993 2.0818 2.1175 2.2999 2.3007 2.5378 2.5447 3.2199 3.2246 3.5204 3.5288 4.0579 4.0610 4.2198 4.2226 4.3159 4.3161 8.9833 8.9962 9.8273 9.8313 9.9682 9.9705 10.3724 10.3795 10.9480 10.9557 k = 0.2918 0.4738-0.0000 ( 4916 PWs) bands (ev): -13.0902 -13.0894 -12.8512 -12.8511 -11.3757 -11.3720 -10.5567 -10.5477 -9.0847 -9.0613 -9.0582 -9.0395 -4.2484 -4.2459 -3.5789 -3.5726 -1.3522 -1.2874 -1.2543 -1.2029 -0.9854 -0.9651 -0.4988 -0.4797 0.0823 0.1208 0.8251 0.8497 1.5632 1.5710 1.9688 1.9743 2.1295 2.1656 2.2864 2.2871 2.5234 2.5292 3.2221 3.2260 3.5146 3.5234 4.0685 4.0720 4.2033 4.2061 4.3298 4.3299 9.0365 9.0501 9.7613 9.7650 9.9937 9.9959 10.4180 10.4247 10.8771 10.8860 k = 0.3006 0.4881-0.0000 ( 4920 PWs) bands (ev): -13.0780 -13.0771 -12.8523 -12.8522 -11.4153 -11.4119 -10.5225 -10.5131 -9.0863 -9.0721 -9.0593 -9.0513 -4.2575 -4.2550 -3.5458 -3.5398 -1.3663 -1.3020 -1.2233 -1.1718 -0.9241 -0.9043 -0.5926 -0.5738 0.0357 0.0760 0.8675 0.8907 1.5686 1.5753 1.9416 1.9472 2.1762 2.2124 2.2768 2.2772 2.5091 2.5135 3.2255 3.2289 3.5077 3.5169 4.0799 4.0838 4.1846 4.1876 4.3446 4.3448 9.0879 9.1022 9.6958 9.6992 10.0194 10.0213 10.4644 10.4706 10.8088 10.8183 k = 0.3094 0.5025-0.0000 ( 4908 PWs) bands (ev): -13.0662 -13.0653 -12.8532 -12.8530 -11.4535 -11.4503 -10.4873 -10.4775 -9.0896 -9.0827 -9.0639 -9.0610 -4.2668 -4.2643 -3.5126 -3.5068 -1.3798 -1.3155 -1.1892 -1.1384 -0.8646 -0.8450 -0.6853 -0.6669 -0.0097 0.0322 0.9033 0.9249 1.5772 1.5826 1.9131 1.9185 2.2210 2.2578 2.2704 2.2708 2.4953 2.4982 3.2301 3.2329 3.4998 3.5094 4.0921 4.0963 4.1639 4.1669 4.3603 4.3606 9.1376 9.1526 9.6312 9.6344 10.0448 10.0467 10.5114 10.5171 10.7437 10.7536 k = 0.3183 0.5168-0.0000 ( 4908 PWs) bands (ev): -13.0550 -13.0541 -12.8538 -12.8537 -11.4901 -11.4871 -10.4511 -10.4409 -9.0971 -9.0905 -9.0760 -9.0650 -4.2761 -4.2737 -3.4793 -3.4738 -1.3923 -1.3280 -1.1523 -1.1025 -0.8095 -0.7875 -0.7738 -0.7583 -0.0541 -0.0107 0.9313 0.9511 1.5901 1.5938 1.8838 1.8890 2.2570 2.2665 2.2739 2.3016 2.4825 2.4836 3.2357 3.2380 3.4908 3.5009 4.1051 4.1094 4.1412 4.1444 4.3765 4.3771 9.1857 9.2012 9.5679 9.5709 10.0698 10.0716 10.5588 10.5637 10.6823 10.6925 k = 0.3271 0.5312-0.0000 ( 4902 PWs) bands (ev): -13.0445 -13.0436 -12.8542 -12.8540 -11.5252 -11.5224 -10.4141 -10.4035 -9.1080 -9.0965 -9.0884 -9.0701 -4.2855 -4.2831 -3.4459 -3.4406 -1.4040 -1.3402 -1.1131 -1.0641 -0.8674 -0.8473 -0.7487 -0.7318 -0.0977 -0.0528 0.9508 0.9687 1.6079 1.6096 1.8543 1.8589 2.2593 2.2643 2.3105 2.3437 2.4702 2.4711 3.2423 3.2440 3.4810 3.4915 4.1166 4.1189 4.1190 4.1243 4.3932 4.3941 9.2321 9.2481 9.5062 9.5089 10.0942 10.0959 10.6049 10.6070 10.6264 10.6389 k = 0.3360 0.5456-0.0000 ( 4900 PWs) bands (ev): -13.0346 -13.0337 -12.8543 -12.8541 -11.5587 -11.5561 -10.3762 -10.3652 -9.1194 -9.1034 -9.1008 -9.0767 -4.2949 -4.2925 -3.4123 -3.4072 -1.4158 -1.3531 -1.0725 -1.0235 -0.9514 -0.9320 -0.6952 -0.6785 -0.1405 -0.0942 0.9611 0.9772 1.6300 1.6306 1.8251 1.8290 2.2569 2.2628 2.3507 2.3839 2.4587 2.4618 3.2496 3.2509 3.4704 3.4813 4.0905 4.0936 4.1334 4.1382 4.4101 4.4113 9.2769 9.2933 9.4463 9.4488 10.1177 10.1193 10.5704 10.5781 10.6555 10.6615 k = 0.3448 0.5599-0.0000 ( 4896 PWs) bands (ev): -13.0254 -13.0246 -12.8540 -12.8538 -11.5905 -11.5881 -10.3376 -10.3261 -9.1309 -9.1131 -9.1117 -9.0850 -4.3043 -4.3019 -3.3784 -3.3737 -1.4292 -1.3691 -1.0487 -1.0114 -1.0105 -0.9803 -0.6436 -0.6275 -0.1826 -0.1350 0.9625 0.9768 1.6544 1.6578 1.7972 1.7996 2.2539 2.2611 2.3895 2.4223 2.4499 2.4553 3.2577 3.2585 3.4592 3.4704 4.0627 4.0660 4.1487 4.1534 4.4269 4.4285 9.3201 9.3369 9.3885 9.3908 10.1400 10.1416 10.5216 10.5296 10.7033 10.7080 k = 0.3448 0.5599-0.0000 ( 4896 PWs) bands (ev): -13.0254 -13.0246 -12.8540 -12.8538 -11.5905 -11.5881 -10.3376 -10.3261 -9.1309 -9.1131 -9.1117 -9.0850 -4.3043 -4.3019 -3.3784 -3.3737 -1.4292 -1.3691 -1.0487 -1.0114 -1.0105 -0.9803 -0.6436 -0.6275 -0.1826 -0.1350 0.9625 0.9768 1.6544 1.6578 1.7972 1.7996 2.2539 2.2611 2.3895 2.4223 2.4499 2.4553 3.2577 3.2585 3.4592 3.4704 4.0627 4.0660 4.1487 4.1534 4.4269 4.4285 9.3201 9.3369 9.3885 9.3908 10.1400 10.1416 10.5216 10.5296 10.7033 10.7080 k = 0.3276 0.5599-0.0000 ( 4898 PWs) bands (ev): -13.0305 -13.0297 -12.8545 -12.8543 -11.5726 -11.5701 -10.3588 -10.3475 -9.1249 -9.1092 -9.1042 -9.0801 -4.2991 -4.2967 -3.3976 -3.3928 -1.4228 -1.3614 -1.0591 -1.0189 -0.9761 -0.9690 -0.6653 -0.6482 -0.1586 -0.1118 0.9622 0.9774 1.6332 1.6429 1.8107 1.8208 2.2540 2.2606 2.3700 2.4027 2.4562 2.4604 3.2535 3.2546 3.4653 3.4762 4.0776 4.0808 4.1403 4.1450 4.4173 4.4187 9.2960 9.3121 9.4193 9.4213 10.1284 10.1313 10.5471 10.5558 10.6798 10.6850 k = 0.3103 0.5599-0.0000 ( 4905 PWs) bands (ev): -13.0362 -13.0353 -12.8555 -12.8554 -11.5521 -11.5495 -10.3805 -10.3695 -9.1191 -9.1061 -9.0962 -9.0751 -4.2935 -4.2911 -3.4187 -3.4137 -1.4198 -1.3585 -1.0820 -1.0428 -0.9483 -0.9405 -0.6718 -0.6534 -0.1319 -0.0857 0.9585 0.9746 1.6065 1.6221 1.8284 1.8445 2.2500 2.2566 2.3538 2.3856 2.4665 2.4697 3.2500 3.2514 3.4710 3.4817 4.0914 4.0945 4.1320 4.1367 4.4068 4.4080 9.2719 9.2873 9.4475 9.4490 10.1181 10.1230 10.5727 10.5828 10.6616 10.6669 k = 0.2931 0.5599-0.0000 ( 4903 PWs) bands (ev): -13.0422 -13.0414 -12.8571 -12.8569 -11.5293 -11.5266 -10.4028 -10.3920 -9.1137 -9.1030 -9.0883 -9.0700 -4.2874 -4.2850 -3.4414 -3.4364 -1.4203 -1.3606 -1.1026 -1.0662 -0.9320 -0.9283 -0.6584 -0.6393 -0.1029 -0.0574 0.9521 0.9692 1.5767 1.5957 1.8482 1.8679 2.2406 2.2486 2.3436 2.3729 2.4799 2.4823 3.2467 3.2485 3.4763 3.4865 4.1035 4.1064 4.1241 4.1289 4.3958 4.3969 9.2492 9.2638 9.4717 9.4730 10.1099 10.1165 10.5951 10.6056 10.6529 10.6572 k = 0.2759 0.5599-0.0000 ( 4905 PWs) bands (ev): -13.0486 -13.0478 -12.8592 -12.8590 -11.5044 -11.5016 -10.4257 -10.4152 -9.1085 -9.0998 -9.0807 -9.0650 -4.2807 -4.2784 -3.4657 -3.4606 -1.4243 -1.3676 -1.1211 -1.0887 -0.9290 -0.9265 -0.6273 -0.6084 -0.0719 -0.0270 0.9436 0.9618 1.5441 1.5653 1.8672 1.8889 2.2267 2.2372 2.3401 2.3660 2.4956 2.4974 3.2433 3.2455 3.4811 3.4908 4.1122 4.1145 4.1182 4.1229 4.3851 4.3860 9.2283 9.2421 9.4914 9.4927 10.1040 10.1121 10.6053 10.6121 10.6617 10.6674 k = 0.2586 0.5599-0.0000 ( 4913 PWs) bands (ev): -13.0551 -13.0543 -12.8617 -12.8615 -11.4776 -11.4746 -10.4493 -10.4391 -9.1035 -9.0966 -9.0733 -9.0599 -4.2735 -4.2712 -3.4913 -3.4863 -1.4316 -1.3789 -1.1393 -1.1116 -0.9333 -0.9260 -0.5853 -0.5670 -0.0392 0.0051 0.9336 0.9530 1.5095 1.5319 1.8825 1.9051 2.2119 2.2247 2.3419 2.3645 2.5130 2.5146 3.2395 3.2421 3.4855 3.4946 4.1087 4.1107 4.1235 4.1250 4.3753 4.3761 9.2094 9.2224 9.5067 9.5083 10.1008 10.1102 10.6029 10.6080 10.6847 10.6948 k = 0.2414 0.5599-0.0000 ( 4905 PWs) bands (ev): -13.0616 -13.0609 -12.8646 -12.8644 -11.4492 -11.4460 -10.4735 -10.4636 -9.0989 -9.0934 -9.0663 -9.0549 -4.2656 -4.2633 -3.5180 -3.5131 -1.4414 -1.3935 -1.1593 -1.1360 -0.9352 -0.9240 -0.5383 -0.5208 -0.0049 0.0389 0.9228 0.9434 1.4733 1.4964 1.8910 1.9133 2.2011 2.2144 2.3473 2.3672 2.5318 2.5332 3.2348 3.2377 3.4897 3.4982 4.1015 4.1036 4.1279 4.1289 4.3674 4.3682 9.1925 9.2047 9.5177 9.5197 10.1004 10.1108 10.5982 10.6029 10.7135 10.7263 k = 0.2241 0.5599-0.0000 ( 4913 PWs) bands (ev): -13.0681 -13.0674 -12.8677 -12.8675 -11.4193 -11.4160 -10.4984 -10.4887 -9.0945 -9.0901 -9.0597 -9.0501 -4.2571 -4.2548 -3.5457 -3.5409 -1.4532 -1.4099 -1.1819 -1.1623 -0.9316 -0.9179 -0.4897 -0.4733 0.0309 0.0740 0.9116 0.9336 1.4362 1.4597 1.8900 1.9107 2.1982 2.2102 2.3547 2.3727 2.5516 2.5530 3.2286 3.2319 3.4942 3.5020 4.0934 4.0949 4.1298 4.1305 4.3620 4.3627 9.1777 9.1891 9.5249 9.5272 10.1029 10.1140 10.5950 10.5996 10.7437 10.7585 k = 0.2069 0.5599-0.0000 ( 4906 PWs) bands (ev): -13.0744 -13.0737 -12.8710 -12.8708 -11.3882 -11.3848 -10.5239 -10.5145 -9.0905 -9.0869 -9.0534 -9.0453 -4.2478 -4.2456 -3.5740 -3.5693 -1.4659 -1.4272 -1.2070 -1.1901 -0.9222 -0.9073 -0.4419 -0.4265 0.0678 0.1102 0.9005 0.9240 1.3987 1.4225 1.8779 1.8967 2.2048 2.2139 2.3633 2.3797 2.5722 2.5736 3.2206 3.2243 3.4994 3.5065 4.0835 4.0841 4.1293 4.1307 4.3594 4.3601 9.1649 9.1755 9.5286 9.5312 10.1082 10.1195 10.5939 10.5984 10.7738 10.7900 k = 0.1896 0.5599-0.0000 ( 4911 PWs) bands (ev): -13.0805 -13.0798 -12.8744 -12.8742 -11.3562 -11.3526 -10.5500 -10.5409 -9.0867 -9.0837 -9.0475 -9.0408 -4.2378 -4.2357 -3.6027 -3.5982 -1.4790 -1.4444 -1.2334 -1.2185 -0.9080 -0.8928 -0.3962 -0.3820 0.1057 0.1475 0.8896 0.9149 1.3616 1.3856 1.8553 1.8725 2.2195 2.2256 2.3723 2.3875 2.5932 2.5947 3.2105 3.2145 3.5057 3.5121 4.0702 4.0706 4.1279 4.1301 4.3594 4.3602 9.1540 9.1638 9.5294 9.5322 10.1158 10.1273 10.5950 10.5995 10.8026 10.8200 k = 0.1724 0.5599-0.0000 ( 4911 PWs) bands (ev): -13.0863 -13.0857 -12.8778 -12.8776 -11.3234 -11.3197 -10.5767 -10.5679 -9.0833 -9.0806 -9.0421 -9.0365 -4.2271 -4.2251 -3.6315 -3.6273 -1.4918 -1.4610 -1.2601 -1.2468 -0.8905 -0.8756 -0.3535 -0.3407 0.1445 0.1854 0.8792 0.9064 1.3257 1.3499 1.8245 1.8408 2.2401 2.2434 2.3814 2.3955 2.6145 2.6161 3.1980 3.2023 3.5135 3.5192 4.0530 4.0540 4.1269 4.1297 4.3616 4.3624 9.1449 9.1538 9.5279 9.5308 10.1256 10.1369 10.5981 10.6026 10.8292 10.8476 k = 0.1552 0.5599-0.0000 ( 4912 PWs) bands (ev): -13.0917 -13.0911 -12.8811 -12.8810 -11.2903 -11.2865 -10.6037 -10.5953 -9.0801 -9.0776 -9.0371 -9.0325 -4.2157 -4.2138 -3.6601 -3.6562 -1.5039 -1.4765 -1.2862 -1.2742 -0.8707 -0.8565 -0.3146 -0.3031 0.1838 0.2239 0.8690 0.8983 1.2920 1.3167 1.7880 1.8039 2.2640 2.2651 2.3901 2.4034 2.6357 2.6376 3.1831 3.1878 3.5230 3.5281 4.0325 4.0340 4.1268 4.1299 4.3654 4.3662 9.1375 9.1455 9.5246 9.5275 10.1370 10.1479 10.6030 10.6074 10.8529 10.8718 k = 0.1379 0.5599-0.0000 ( 4918 PWs) bands (ev): -13.0967 -13.0962 -12.8842 -12.8841 -11.2570 -11.2531 -10.6311 -10.6230 -9.0772 -9.0748 -9.0327 -9.0289 -4.2038 -4.2020 -3.6882 -3.6846 -1.5148 -1.4907 -1.3109 -1.3001 -0.8500 -0.8368 -0.2799 -0.2699 0.2235 0.2625 0.8587 0.8901 1.2619 1.2870 1.7479 1.7638 2.2888 2.2896 2.3984 2.4109 2.6566 2.6588 3.1663 3.1711 3.5344 3.5389 4.0094 4.0112 4.1275 4.1306 4.3701 4.3709 9.1314 9.1386 9.5202 9.5229 10.1495 10.1599 10.6092 10.6136 10.8730 10.8920 k = 0.1207 0.5599-0.0000 ( 4920 PWs) bands (ev): -13.1012 -13.1008 -12.8872 -12.8870 -11.2240 -11.2200 -10.6585 -10.6508 -9.0746 -9.0723 -9.0287 -9.0256 -4.1914 -4.1897 -3.7154 -3.7120 -1.5244 -1.5033 -1.3337 -1.3240 -0.8292 -0.8171 -0.2497 -0.2412 0.2631 0.3008 0.8477 0.8810 1.2367 1.2622 1.7060 1.7218 2.3130 2.3152 2.4059 2.4179 2.6770 2.6795 3.1478 3.1528 3.5476 3.5516 3.9845 3.9864 4.1289 4.1319 4.3752 4.3760 9.1267 9.1329 9.5151 9.5177 10.1627 10.1724 10.6165 10.6208 10.8889 10.9075 k = 0.1034 0.5599-0.0000 ( 4918 PWs) bands (ev): -13.1052 -13.1048 -12.8898 -12.8897 -11.1916 -11.1876 -10.6856 -10.6784 -9.0722 -9.0701 -9.0252 -9.0227 -4.1789 -4.1773 -3.7412 -3.7382 -1.5325 -1.5144 -1.3542 -1.3457 -0.8091 -0.7983 -0.2241 -0.2171 0.3023 0.3384 0.8353 0.8698 1.2179 1.2435 1.6636 1.6794 2.3365 2.3398 2.4127 2.4241 2.6966 2.6994 3.1283 3.1333 3.5622 3.5658 3.9587 3.9607 4.1307 4.1334 4.3802 4.3809 9.1231 9.1284 9.5098 9.5121 10.1760 10.1847 10.6244 10.6285 10.9006 10.9181 k = 0.0862 0.5599-0.0000 ( 4920 PWs) bands (ev): -13.1087 -13.1083 -12.8921 -12.8920 -11.1604 -11.1564 -10.7121 -10.7055 -9.0701 -9.0682 -9.0222 -9.0202 -4.1665 -4.1651 -3.7650 -3.7624 -1.5391 -1.5238 -1.3721 -1.3647 -0.7905 -0.7812 -0.2032 -0.1976 0.3405 0.3744 0.8212 0.8556 1.2067 1.2315 1.6223 1.6376 2.3581 2.3624 2.4187 2.4296 2.7150 2.7181 3.1087 3.1135 3.5780 3.5812 3.9329 3.9349 4.1326 4.1350 4.3849 4.3855 9.1204 9.1248 9.5047 9.5067 10.1888 10.1964 10.6324 10.6362 10.9085 10.9241 k = 0.0690 0.5599-0.0000 ( 4926 PWs) bands (ev): -13.1115 -13.1112 -12.8941 -12.8940 -11.1312 -11.1274 -10.7371 -10.7312 -9.0683 -9.0667 -9.0197 -9.0182 -4.1548 -4.1536 -3.7863 -3.7841 -1.5441 -1.5317 -1.3870 -1.3808 -0.7740 -0.7664 -0.1867 -0.1824 0.3769 0.4078 0.8057 0.8383 1.2031 1.2261 1.5835 1.5980 2.3770 2.3822 2.4239 2.4343 2.7320 2.7351 3.0900 3.0944 3.5942 3.5971 3.9081 3.9100 4.1345 4.1364 4.3890 4.3895 9.1185 9.1221 9.5001 9.5018 10.2005 10.2068 10.6402 10.6435 10.9132 10.9264 k = 0.0517 0.5599-0.0000 ( 4928 PWs) bands (ev): -13.1138 -13.1136 -12.8956 -12.8956 -11.1050 -11.1017 -10.7596 -10.7547 -9.0669 -9.0656 -9.0177 -9.0166 -4.1444 -4.1434 -3.8042 -3.8025 -1.5474 -1.5381 -1.3986 -1.3939 -0.7603 -0.7544 -0.1743 -0.1713 0.4103 0.4368 0.7903 0.8188 1.2061 1.2258 1.5492 1.5620 2.3925 2.3980 2.4286 2.4380 2.7469 2.7497 3.0733 3.0771 3.6100 3.6124 3.8856 3.8873 4.1362 4.1377 4.3924 4.3928 9.1173 9.1199 9.4963 9.4976 10.2105 10.2154 10.6471 10.6499 10.9157 10.9260 k = 0.0345 0.5599-0.0000 ( 4934 PWs) bands (ev): -13.1154 -13.1152 -12.8967 -12.8967 -11.0835 -11.0809 -10.7779 -10.7743 -9.0657 -9.0648 -9.0163 -9.0155 -4.1360 -4.1353 -3.8179 -3.8166 -1.5493 -1.5430 -1.4069 -1.4036 -0.7497 -0.7457 -0.1657 -0.1638 0.4391 0.4591 0.7776 0.7993 1.2135 1.2282 1.5221 1.5321 2.4040 2.4089 2.4331 2.4406 2.7588 2.7610 3.0600 3.0629 3.6238 3.6256 3.8671 3.8684 4.1375 4.1385 4.3949 4.3951 9.1166 9.1184 9.4935 9.4944 10.2183 10.2217 10.6527 10.6547 10.9171 10.9242 k = 0.0172 0.5599-0.0000 ( 4940 PWs) bands (ev): -13.1163 -13.1163 -12.8974 -12.8974 -11.0688 -11.0673 -10.7899 -10.7879 -9.0649 -9.0645 -9.0153 -9.0150 -4.1304 -4.1300 -3.8264 -3.8258 -1.5498 -1.5466 -1.4116 -1.4099 -0.7428 -0.7408 -0.1605 -0.1596 0.4607 0.4717 0.7707 0.7827 1.2219 1.2300 1.5052 1.5108 2.4115 2.4143 2.4374 2.4415 2.7669 2.7681 3.0517 3.0532 3.6337 3.6346 3.8547 3.8555 4.1385 4.1390 4.3964 4.3966 9.1164 9.1173 9.4919 9.4923 10.2236 10.2253 10.6565 10.6575 10.9182 10.9218 k = 0.0000 0.5599-0.0000 ( 4940 PWs) bands (ev): -13.1166 -13.1166 -12.8976 -12.8976 -11.0630 -11.0630 -10.7935 -10.7935 -9.0645 -9.0645 -9.0149 -9.0149 -4.1283 -4.1283 -3.8291 -3.8291 -1.5488 -1.5488 -1.4126 -1.4126 -0.7398 -0.7398 -0.1585 -0.1585 0.4723 0.4723 0.7724 0.7724 1.2281 1.2281 1.5013 1.5013 2.4149 2.4149 2.4405 2.4405 2.7701 2.7701 3.0493 3.0493 3.6376 3.6376 3.8506 3.8506 4.1390 4.1390 4.3970 4.3970 9.1166 9.1166 9.4914 9.4914 10.2259 10.2259 10.6582 10.6582 10.9198 10.9198 k = 0.0000 0.5599-0.0000 ( 4940 PWs) bands (ev): -13.1166 -13.1166 -12.8976 -12.8976 -11.0630 -11.0630 -10.7935 -10.7935 -9.0645 -9.0645 -9.0149 -9.0149 -4.1283 -4.1283 -3.8291 -3.8291 -1.5488 -1.5488 -1.4126 -1.4126 -0.7398 -0.7398 -0.1585 -0.1585 0.4723 0.4723 0.7724 0.7724 1.2281 1.2281 1.5013 1.5013 2.4149 2.4149 2.4405 2.4405 2.7701 2.7701 3.0493 3.0493 3.6376 3.6376 3.8506 3.8506 4.1390 4.1390 4.3970 4.3970 9.1166 9.1166 9.4914 9.4914 10.2259 10.2259 10.6582 10.6582 10.9198 10.9198 k = 0.0000 0.5599 0.0173 ( 4934 PWs) bands (ev): -13.1163 -13.1163 -12.8976 -12.8976 -11.0622 -11.0622 -10.7929 -10.7928 -9.0666 -9.0663 -9.0170 -9.0169 -4.1270 -4.1269 -3.8273 -3.8266 -1.5460 -1.5460 -1.4151 -1.4143 -0.7388 -0.7382 -0.1678 -0.1640 0.4756 0.4798 0.7713 0.7739 1.2279 1.2281 1.5018 1.5032 2.4139 2.4151 2.4374 2.4390 2.7714 2.7726 3.0493 3.0499 3.6368 3.6370 3.8519 3.8524 4.1386 4.1389 4.3965 4.3967 9.1141 9.1157 9.4884 9.4884 10.2086 10.2154 10.6723 10.6767 10.9124 10.9174 k = 0.0000 0.5599 0.0346 ( 4940 PWs) bands (ev): -13.1155 -13.1155 -12.8977 -12.8977 -11.0596 -11.0596 -10.7912 -10.7910 -9.0726 -9.0719 -9.0231 -9.0230 -4.1229 -4.1226 -3.8212 -3.8198 -1.5377 -1.5376 -1.4220 -1.4204 -0.7351 -0.7338 -0.1907 -0.1835 0.4891 0.4971 0.7706 0.7759 1.2274 1.2277 1.5049 1.5077 2.4099 2.4129 2.4314 2.4353 2.7764 2.7786 3.0501 3.0513 3.6345 3.6349 3.8562 3.8573 4.1379 4.1385 4.3953 4.3957 9.1081 9.1114 9.4792 9.4793 10.1699 10.1820 10.7142 10.7214 10.8966 10.9059 k = 0.0000 0.5599 0.0518 ( 4936 PWs) bands (ev): -13.1142 -13.1142 -12.8977 -12.8977 -11.0553 -11.0552 -10.7882 -10.7879 -9.0823 -9.0813 -9.0333 -9.0331 -4.1161 -4.1156 -3.8110 -3.8089 -1.5240 -1.5237 -1.4333 -1.4309 -0.7283 -0.7264 -0.2252 -0.2154 0.5112 0.5222 0.7706 0.7782 1.2266 1.2271 1.5103 1.5143 2.3988 2.4025 2.4290 2.4338 2.7845 2.7876 3.0516 3.0533 3.6308 3.6314 3.8634 3.8651 4.1367 4.1376 4.3934 4.3939 9.0990 9.1039 9.4640 9.4640 10.1201 10.1361 10.7733 10.7817 10.8750 10.8875 k = 0.0000 0.5599 0.0691 ( 4936 PWs) bands (ev): -13.1123 -13.1123 -12.8977 -12.8977 -11.0492 -11.0491 -10.7840 -10.7837 -9.0958 -9.0944 -9.0474 -9.0472 -4.1065 -4.1058 -3.7966 -3.7938 -1.5053 -1.5045 -1.4492 -1.4456 -0.7182 -0.7158 -0.2687 -0.2571 0.5394 0.5526 0.7711 0.7809 1.2255 1.2261 1.5178 1.5229 2.3801 2.3835 2.4311 2.4359 2.7951 2.7989 3.0539 3.0561 3.6256 3.6265 3.8734 3.8755 4.1351 4.1362 4.3906 4.3914 9.0871 9.0935 9.4426 9.4429 10.0669 10.0859 10.8378 10.8410 10.8589 10.8680 k = 0.0000 0.5599 0.0864 ( 4942 PWs) bands (ev): -13.1099 -13.1099 -12.8978 -12.8978 -11.0414 -11.0413 -10.7786 -10.7782 -9.1128 -9.1111 -9.0654 -9.0651 -4.0943 -4.0934 -3.7782 -3.7748 -1.4847 -1.4809 -1.4692 -1.4620 -0.7042 -0.7014 -0.3189 -0.3061 0.5717 0.5863 0.7724 0.7841 1.2241 1.2247 1.5270 1.5331 2.3558 2.3591 2.4351 2.4400 2.8077 2.8121 3.0569 3.0596 3.6191 3.6202 3.8857 3.8882 4.1329 4.1344 4.3872 4.3881 9.0731 9.0810 9.4154 9.4160 10.0147 10.0364 10.8196 10.8344 10.9175 10.9247 k = 0.0000 0.5599 0.1037 ( 4940 PWs) bands (ev): -13.1070 -13.1070 -12.8979 -12.8979 -11.0319 -11.0318 -10.7720 -10.7715 -9.1333 -9.1313 -9.0870 -9.0866 -4.0794 -4.0784 -3.7560 -3.7519 -1.4961 -1.4944 -1.4504 -1.4482 -0.6861 -0.6830 -0.3739 -0.3606 0.6063 0.6217 0.7745 0.7876 1.2224 1.2231 1.5374 1.5443 2.3274 2.3308 2.4400 2.4453 2.8217 2.8265 3.0608 3.0638 3.6112 3.6126 3.9001 3.9030 4.1303 4.1320 4.3829 4.3840 9.0576 9.0668 9.3829 9.3840 9.9660 9.9902 10.7909 10.8072 10.9902 10.9974 k = 0.0000 0.5599 0.1209 ( 4940 PWs) bands (ev): -13.1036 -13.1036 -12.8980 -12.8980 -11.0206 -11.0205 -10.7642 -10.7636 -9.1570 -9.1548 -9.1122 -9.1117 -4.0620 -4.0609 -3.7301 -3.7254 -1.5263 -1.5230 -1.4169 -1.4159 -0.6635 -0.6603 -0.4320 -0.4186 0.6419 0.6575 0.7774 0.7917 1.2204 1.2210 1.5486 1.5561 2.2959 2.2996 2.4451 2.4509 2.8367 2.8417 3.0655 3.0687 3.6021 3.6037 3.9162 3.9193 4.1270 4.1291 4.3779 4.3792 9.0413 9.0517 9.3461 9.3476 9.9220 9.9484 10.7615 10.7786 11.0622 11.0689 k = 0.0000 0.5599 0.1382 ( 4938 PWs) bands (ev): -13.0998 -13.0997 -12.8983 -12.8983 -11.0076 -11.0075 -10.7551 -10.7544 -9.1839 -9.1813 -9.1407 -9.1401 -4.0421 -4.0409 -3.7007 -3.6954 -1.5614 -1.5573 -1.3795 -1.3792 -0.6363 -0.6333 -0.4915 -0.4787 0.6776 0.6927 0.7816 0.7962 1.2181 1.2186 1.5600 1.5681 2.2620 2.2660 2.4500 2.4565 2.8523 2.8576 3.0712 3.0746 3.5918 3.5937 3.9335 3.9369 4.1231 4.1256 4.3721 4.3736 9.0250 9.0365 9.3062 9.3081 9.8831 9.9116 10.7322 10.7497 11.1315 11.1375 k = 0.0000 0.5599 0.1555 ( 4928 PWs) bands (ev): -13.0955 -13.0954 -12.8985 -12.8985 -10.9930 -10.9928 -10.7448 -10.7440 -9.2135 -9.2107 -9.1722 -9.1716 -4.0199 -4.0186 -3.6682 -3.6623 -1.6008 -1.5961 -1.3396 -1.3393 -0.6045 -0.6037 -0.5489 -0.5391 0.7128 0.7261 0.7875 0.8012 1.2154 1.2157 1.5711 1.5795 2.2263 2.2306 2.4541 2.4614 2.8684 2.8737 3.0779 3.0813 3.5805 3.5826 3.9516 3.9552 4.1185 4.1214 4.3656 4.3673 9.0093 9.0220 9.2646 9.2668 9.8493 9.8796 10.7030 10.7208 11.1967 11.2020 k = 0.0000 0.5599 0.1728 ( 4922 PWs) bands (ev): -13.0907 -13.0907 -12.8989 -12.8989 -10.9766 -10.9764 -10.7332 -10.7324 -9.2458 -9.2427 -9.2067 -9.2060 -3.9953 -3.9940 -3.6326 -3.6262 -1.6442 -1.6391 -1.2989 -1.2978 -0.6158 -0.5997 -0.5665 -0.5584 0.7470 0.7556 0.7969 0.8067 1.2124 1.2125 1.5813 1.5901 2.1893 2.1938 2.4569 2.4650 2.8847 2.8900 3.0856 3.0889 3.5682 3.5707 3.9701 3.9738 4.1133 4.1165 4.3583 4.3602 8.9950 9.0088 9.2228 9.2252 9.8201 9.8521 10.6740 10.6920 11.2571 11.2616 k = 0.0000 0.5599 0.1900 ( 4920 PWs) bands (ev): -13.0856 -13.0856 -12.8994 -12.8994 -10.9585 -10.9583 -10.7204 -10.7194 -9.2805 -9.2772 -9.2439 -9.2430 -3.9686 -3.9672 -3.5943 -3.5873 -1.6912 -1.6858 -1.2598 -1.2573 -0.6672 -0.6545 -0.5257 -0.5193 0.7766 0.7799 0.8130 0.8142 1.2090 1.2090 1.5901 1.5991 2.1515 2.1563 2.4578 2.4668 2.9010 2.9062 3.0945 3.0976 3.5554 3.5582 3.9884 3.9921 4.1074 4.1111 4.3502 4.3524 8.9829 8.9976 9.1823 9.1848 9.7951 9.8286 10.6453 10.6633 11.3118 11.3156 k = 0.0000 0.5599 0.2073 ( 4916 PWs) bands (ev): -13.0801 -13.0801 -12.9000 -12.8999 -10.9387 -10.9385 -10.7063 -10.7053 -9.3174 -9.3138 -9.2834 -9.2825 -3.9397 -3.9383 -3.5535 -3.5461 -1.7413 -1.7357 -1.2263 -1.2218 -0.7118 -0.7017 -0.4799 -0.4738 0.7888 0.8095 0.8216 0.8393 1.2051 1.2054 1.5968 1.6061 2.1134 2.1184 2.4561 2.4662 2.9171 2.9221 3.1044 3.1072 3.5421 3.5452 4.0057 4.0095 4.1013 4.1053 4.3415 4.3439 8.9735 8.9893 9.1444 9.1470 9.7739 9.8088 10.6167 10.6347 11.3604 11.3636 k = 0.0000 0.5599 0.2246 ( 4914 PWs) bands (ev): -13.0743 -13.0743 -12.9007 -12.9007 -10.9172 -10.9170 -10.6909 -10.6898 -9.3563 -9.3523 -9.3252 -9.3240 -3.9088 -3.9074 -3.5106 -3.5026 -1.7940 -1.7883 -1.2049 -1.1975 -0.7415 -0.7347 -0.4299 -0.4237 0.7977 0.8237 0.8446 0.8669 1.2008 1.2015 1.6010 1.6105 2.0756 2.0807 2.4514 2.4624 2.9328 2.9377 3.1153 3.1178 3.5288 3.5322 4.0209 4.0247 4.0957 4.1002 4.3322 4.3348 8.9674 8.9842 9.1102 9.1128 9.7561 9.7922 10.5880 10.6059 11.4028 11.4057 k = 0.0000 0.5599 0.2419 ( 4912 PWs) bands (ev): -13.0683 -13.0682 -12.9016 -12.9016 -10.8941 -10.8938 -10.6743 -10.6731 -9.3968 -9.3926 -9.3688 -9.3675 -3.8759 -3.8746 -3.4657 -3.4573 -1.8488 -1.8431 -1.2027 -1.1920 -0.7491 -0.7460 -0.3760 -0.3696 0.8056 0.8315 0.8729 0.8941 1.1964 1.1973 1.6020 1.6117 2.0387 2.0438 2.4430 2.4551 2.9480 2.9528 3.1270 3.1291 3.5160 3.5197 4.0319 4.0351 4.0930 4.0973 4.3224 4.3252 8.9650 8.9829 9.0807 9.0832 9.7415 9.7786 10.5592 10.5768 11.4388 11.4416 k = 0.0000 0.5599 0.2592 ( 4910 PWs) bands (ev): -13.0619 -13.0618 -12.9026 -12.9026 -10.8693 -10.8690 -10.6564 -10.6551 -9.4388 -9.4343 -9.4141 -9.4126 -3.8412 -3.8399 -3.4192 -3.4104 -1.9051 -1.8996 -1.2229 -1.2094 -0.7314 -0.7314 -0.3185 -0.3119 0.8135 0.8390 0.9001 0.9203 1.1916 1.1929 1.5991 1.6091 2.0033 2.0083 2.4307 2.4437 2.9625 2.9671 3.1390 3.1407 3.5041 3.5080 4.0356 4.0373 4.0962 4.0995 4.3121 4.3152 8.9667 8.9858 9.0566 9.0591 9.7297 9.7678 10.5299 10.5471 11.4686 11.4715 k = 0.0000 0.5599 0.2764 ( 4914 PWs) bands (ev): -13.0553 -13.0553 -12.9039 -12.9039 -10.8430 -10.8426 -10.6372 -10.6359 -9.4822 -9.4773 -9.4608 -9.4590 -3.8047 -3.8034 -3.3714 -3.3623 -1.9626 -1.9571 -1.2622 -1.2471 -0.6938 -0.6919 -0.2579 -0.2510 0.8214 0.8467 0.9260 0.9451 1.1867 1.1884 1.5917 1.6020 1.9702 1.9749 2.4141 2.4280 2.9762 2.9807 3.1509 3.1521 3.4938 3.4980 4.0311 4.0312 4.1053 4.1074 4.3015 4.3048 8.9725 8.9929 9.0386 9.0412 9.7207 9.7596 10.4998 10.5167 11.4922 11.4955 k = 0.0000 0.5599 0.2937 ( 4904 PWs) bands (ev): -13.0486 -13.0485 -12.9053 -12.9053 -10.8150 -10.8147 -10.6168 -10.6154 -9.5267 -9.5213 -9.5086 -9.5064 -3.7664 -3.7653 -3.3227 -3.3133 -2.0205 -2.0153 -1.3146 -1.2986 -0.6398 -0.6368 -0.1946 -0.1874 0.8293 0.8545 0.9503 0.9683 1.1817 1.1838 1.5793 1.5899 1.9400 1.9444 2.3930 2.4077 2.9891 2.9935 3.1619 3.1626 3.4860 3.4903 4.0196 4.0208 4.1171 4.1185 4.2909 4.2943 8.9823 9.0045 9.0271 9.0299 9.7143 9.7539 10.4689 10.4852 11.5093 11.5134 k = 0.0000 0.5599 0.3110 ( 4896 PWs) bands (ev): -13.0416 -13.0416 -12.9070 -12.9070 -10.7855 -10.7851 -10.5951 -10.5937 -9.5723 -9.5665 -9.5569 -9.5543 -3.7265 -3.7255 -3.2735 -3.2639 -2.0783 -2.0733 -1.3749 -1.3587 -0.5750 -0.5714 -0.1292 -0.1216 0.8374 0.8623 0.9731 0.9899 1.1765 1.1791 1.5614 1.5723 1.9134 1.9173 2.3675 2.3828 3.0010 3.0053 3.1713 3.1715 3.4814 3.4858 4.0048 4.0068 4.1295 4.1305 4.2802 4.2839 8.9957 9.0194 9.0235 9.0261 9.7103 9.7505 10.4366 10.4524 11.5195 11.5249 k = 0.0000 0.5599 0.3283 ( 4898 PWs) bands (ev): -13.0346 -13.0345 -12.9089 -12.9089 -10.7545 -10.7541 -10.5722 -10.5707 -9.6189 -9.6130 -9.6051 -9.6025 -3.6851 -3.6842 -3.2244 -3.2146 -2.1352 -2.1307 -1.4401 -1.4239 -0.5032 -0.4993 -0.0623 -0.0542 0.8454 0.8701 0.9942 1.0098 1.1713 1.1744 1.5379 1.5491 1.8905 1.8940 2.3375 2.3535 3.0121 3.0162 3.1778 3.1783 3.4808 3.4851 3.9877 3.9903 4.1414 4.1423 4.2698 4.2736 9.0107 9.0238 9.0315 9.0414 9.7087 9.7493 10.4027 10.4179 11.5218 11.5293 k = 0.0000 0.5599 0.3455 ( 4904 PWs) bands (ev): -13.0275 -13.0274 -12.9111 -12.9111 -10.7220 -10.7216 -10.5482 -10.5466 -9.6665 -9.6614 -9.6523 -9.6503 -3.6422 -3.6414 -3.1761 -3.1662 -2.1905 -2.1864 -1.5080 -1.4919 -0.4268 -0.4227 0.0054 0.0140 0.8535 0.8779 1.0137 1.0278 1.1660 1.1698 1.5094 1.5208 1.8715 1.8745 2.3035 2.3198 3.0221 3.0262 3.1811 3.1822 3.4847 3.4889 3.9688 3.9718 4.1523 4.1533 4.2597 4.2637 9.0252 9.0325 9.0478 9.0655 9.7093 9.7502 10.3670 10.3816 11.5138 11.5250 k = 0.0000 0.5599 0.3628 ( 4906 PWs) bands (ev): -13.0204 -13.0203 -12.9136 -12.9135 -10.6882 -10.6877 -10.5230 -10.5214 -9.7151 -9.7110 -9.6984 -9.6975 -3.5979 -3.5972 -3.1294 -3.1196 -2.2429 -2.2395 -1.5775 -1.5617 -0.3475 -0.3433 0.0729 0.0820 0.8616 0.8856 1.0313 1.0438 1.1607 1.1651 1.4764 1.4880 1.8560 1.8585 2.2658 2.2823 3.0314 3.0354 3.1811 3.1828 3.4932 3.4972 3.9486 3.9518 4.1620 4.1631 4.2502 4.2543 9.0416 9.0476 9.0718 9.0932 9.7120 9.7531 10.3292 10.3431 11.4668 11.5005 k = 0.0000 0.5599 0.3801 ( 4904 PWs) bands (ev): -13.0133 -13.0132 -12.9163 -12.9163 -10.6531 -10.6526 -10.4969 -10.4952 -9.7642 -9.7610 -9.7439 -9.7438 -3.5523 -3.5518 -3.0858 -3.0761 -2.2911 -2.2885 -1.6478 -1.6322 -0.2664 -0.2622 0.1392 0.1489 0.8697 0.8932 1.0471 1.0577 1.1552 1.1605 1.4401 1.4517 1.8437 1.8457 2.2249 2.2415 3.0398 3.0438 3.1781 3.1804 3.5059 3.5098 3.9271 3.9306 4.1704 4.1718 4.2415 4.2456 9.0624 9.0686 9.0998 9.1236 9.7167 9.7576 10.2891 10.3023 11.4096 11.4474 k = 0.0000 0.5599 0.3974 ( 4900 PWs) bands (ev): -13.0062 -13.0061 -12.9193 -12.9193 -10.6168 -10.6162 -10.4700 -10.4682 -9.8134 -9.8108 -9.7893 -9.7887 -3.5056 -3.5051 -3.0469 -3.0378 -2.3330 -2.3314 -1.7182 -1.7030 -0.1848 -0.1806 0.2029 0.2131 0.8781 0.9009 1.0608 1.0693 1.1496 1.1559 1.4016 1.4130 1.8342 1.8357 2.1816 2.1981 3.0475 3.0515 3.1726 3.1754 3.5223 3.5259 3.9047 3.9083 4.1776 4.1792 4.2335 4.2377 9.0877 9.0948 9.1302 9.1559 9.7234 9.7639 10.2466 10.2592 11.3549 11.3936 k = 0.0000 0.5599 0.4146 ( 4900 PWs) bands (ev): -12.9991 -12.9991 -12.9227 -12.9226 -10.5794 -10.5788 -10.4424 -10.4406 -9.8621 -9.8600 -9.8339 -9.8329 -3.4578 -3.4575 -3.0152 -3.0069 -2.3661 -2.3659 -1.7885 -1.7735 -0.1035 -0.0992 0.2621 0.2728 0.8871 0.9089 1.0724 1.0785 1.1438 1.1511 1.3621 1.3733 1.8275 1.8283 2.1368 2.1530 3.0547 3.0587 3.1653 3.1685 3.5416 3.5450 3.8815 3.8852 4.1835 4.1853 4.2264 4.2306 9.1168 9.1255 9.1617 9.1891 9.7319 9.7716 10.2019 10.2138 11.3043 11.3437 k = 0.0000 0.5599 0.4319 ( 4908 PWs) bands (ev): -12.9922 -12.9922 -12.9263 -12.9263 -10.5413 -10.5406 -10.4146 -10.4128 -9.9097 -9.9078 -9.8773 -9.8760 -3.4092 -3.4090 -2.9935 -2.9865 -2.3889 -2.3873 -1.8581 -1.8435 -0.0235 -0.0192 0.3148 0.3257 0.8973 0.9177 1.0815 1.0850 1.1378 1.1462 1.3230 1.3339 1.8236 1.8236 2.0914 2.1071 3.0615 3.0655 3.1568 3.1603 3.5629 3.5663 3.8578 3.8615 4.1882 4.1903 4.2203 4.2245 9.1487 9.1593 9.1930 9.2220 9.7425 9.7809 10.1550 10.1665 11.2591 11.2994 k = 0.0000 0.5599 0.4492 ( 4912 PWs) bands (ev): -12.9855 -12.9854 -12.9302 -12.9302 -10.5026 -10.5018 -10.3874 -10.3854 -9.9552 -9.9537 -9.9192 -9.9177 -3.3599 -3.3598 -2.9846 -2.9791 -2.3977 -2.3940 -1.9268 -1.9125 0.0541 0.0586 0.3583 0.3692 0.9097 0.9280 1.0870 1.0879 1.1323 1.1418 1.2857 1.2959 1.8218 1.8226 2.0466 2.0616 3.0681 3.0721 3.1476 3.1514 3.5858 3.5891 3.8336 3.8373 4.1919 4.1942 4.2152 4.2193 9.1817 9.1948 9.2228 9.2532 9.7554 9.7919 10.1067 10.1180 11.2206 11.2618 k = 0.0000 0.5599 0.4665 ( 4918 PWs) bands (ev): -12.9788 -12.9788 -12.9345 -12.9344 -10.4638 -10.4630 -10.3617 -10.3598 -9.9975 -9.9961 -9.9592 -9.9576 -3.3102 -3.3102 -2.9898 -2.9859 -2.3908 -2.3850 -1.9941 -1.9803 0.1283 0.1329 0.3896 0.4001 0.9252 0.9408 1.0860 1.0868 1.1294 1.1391 1.2515 1.2608 1.8231 1.8251 2.0036 2.0176 3.0746 3.0787 3.1381 3.1421 3.6097 3.6129 3.8091 3.8128 4.1947 4.1973 4.2110 4.2151 9.2142 9.2302 9.2497 9.2811 9.7711 9.8051 10.0576 10.0692 11.1897 11.2318 k = 0.0000 0.5599 0.4838 ( 4916 PWs) bands (ev): -12.9724 -12.9723 -12.9391 -12.9390 -10.4257 -10.4248 -10.3397 -10.3378 -10.0344 -10.0331 -9.9964 -9.9948 -3.2605 -3.2605 -3.0082 -3.0057 -2.3691 -2.3614 -2.0597 -2.0463 0.1977 0.2025 0.4063 0.4159 0.9446 0.9569 1.0778 1.0787 1.1313 1.1396 1.2216 1.2296 1.8282 1.8314 1.9637 1.9765 3.0812 3.0853 3.1288 3.1329 3.6342 3.6375 3.7843 3.7880 4.1968 4.1997 4.2076 4.2116 9.2439 9.2632 9.2719 9.3038 9.7903 9.8212 10.0088 10.0212 11.1674 11.2104 k = 0.0000 0.5599 0.5010 ( 4916 PWs) bands (ev): -12.9662 -12.9661 -12.9439 -12.9439 -10.3895 -10.3885 -10.3249 -10.3231 -10.0622 -10.0609 -10.0297 -10.0280 -3.2112 -3.2112 -3.0375 -3.0359 -2.3348 -2.3255 -2.1230 -2.1101 0.2606 0.2657 0.4066 0.4151 0.9676 0.9763 1.0630 1.0637 1.1376 1.1441 1.1964 1.2030 1.8376 1.8423 1.9279 1.9392 3.0880 3.0922 3.1197 3.1239 3.6591 3.6624 3.7594 3.7630 4.1985 4.2016 4.2050 4.2089 9.2687 9.2879 9.2915 9.3197 9.8141 9.8412 9.9616 9.9755 11.1543 11.1966 k = 0.0000 0.5599 0.5183 ( 4930 PWs) bands (ev): -12.9602 -12.9602 -12.9491 -12.9490 -10.3576 -10.3564 -10.3219 -10.3203 -10.0762 -10.0748 -10.0566 -10.0550 -3.1631 -3.1630 -3.0746 -3.0738 -2.2908 -2.2803 -2.1833 -2.1711 0.3152 0.3209 0.3905 0.3979 0.9931 0.9984 1.0428 1.0440 1.1471 1.1524 1.1759 1.1815 1.8519 1.8583 1.8970 1.9068 3.0952 3.0995 3.1111 3.1153 3.6842 3.6875 3.7344 3.7379 4.1999 4.2030 4.2033 4.2067 9.2864 9.2962 9.3126 9.3270 9.8431 9.8662 9.9175 9.9337 11.1507 11.1723 k = 0.0000 0.5599 0.5356 ( 4928 PWs) bands (ev): -12.9545 -12.9545 -12.9545 -12.9545 -10.3335 -10.3335 -10.3321 -10.3321 -10.0737 -10.0737 -10.0722 -10.0722 -3.1171 -3.1171 -3.1168 -3.1168 -2.2397 -2.2397 -2.2283 -2.2283 0.3593 0.3593 0.3657 0.3657 1.0189 1.0189 1.0216 1.0216 1.1597 1.1597 1.1647 1.1647 1.8717 1.8717 1.8797 1.8797 3.1029 3.1029 3.1071 3.1071 3.7093 3.7093 3.7127 3.7127 4.2014 4.2014 4.2049 4.2049 9.2958 9.2958 9.3247 9.3247 9.8776 9.8776 9.8970 9.8970 11.1568 11.1568 k = 0.0000 0.5599 0.5356 ( 4928 PWs) bands (ev): -12.9545 -12.9545 -12.9545 -12.9545 -10.3335 -10.3335 -10.3321 -10.3321 -10.0737 -10.0737 -10.0722 -10.0722 -3.1171 -3.1171 -3.1168 -3.1168 -2.2397 -2.2397 -2.2283 -2.2283 0.3593 0.3593 0.3657 0.3657 1.0189 1.0189 1.0216 1.0216 1.1597 1.1597 1.1647 1.1647 1.8717 1.8717 1.8797 1.8797 3.1029 3.1029 3.1071 3.1071 3.7093 3.7093 3.7127 3.7127 4.2014 4.2014 4.2049 4.2049 9.2958 9.2958 9.3247 9.3247 9.8776 9.8776 9.8970 9.8970 11.1568 11.1568 k = 0.0172 0.5599 0.5356 ( 4924 PWs) bands (ev): -12.9543 -12.9543 -12.9542 -12.9542 -10.3353 -10.3353 -10.3339 -10.3339 -10.0722 -10.0722 -10.0707 -10.0707 -3.1159 -3.1159 -3.1151 -3.1151 -2.2411 -2.2411 -2.2296 -2.2296 0.3598 0.3598 0.3664 0.3664 1.0078 1.0078 1.0215 1.0215 1.1611 1.1611 1.1749 1.1749 1.8707 1.8707 1.8790 1.8790 3.1036 3.1036 3.1079 3.1079 3.7098 3.7098 3.7133 3.7133 4.2003 4.2003 4.2039 4.2039 9.2935 9.2935 9.3223 9.3223 9.8795 9.8795 9.8990 9.8990 11.1541 11.1541 k = 0.0345 0.5599 0.5356 ( 4926 PWs) bands (ev): -12.9538 -12.9538 -12.9536 -12.9536 -10.3406 -10.3406 -10.3390 -10.3390 -10.0681 -10.0681 -10.0665 -10.0665 -3.1120 -3.1120 -3.1105 -3.1105 -2.2452 -2.2452 -2.2337 -2.2337 0.3615 0.3615 0.3685 0.3685 0.9887 0.9887 1.0112 1.0112 1.1726 1.1726 1.1945 1.1945 1.8680 1.8680 1.8768 1.8768 3.1056 3.1056 3.1100 3.1100 3.7113 3.7113 3.7150 3.7150 4.1972 4.1972 4.2008 4.2008 9.2868 9.2868 9.3152 9.3152 9.8849 9.8849 9.9049 9.9049 11.1463 11.1463 k = 0.0517 0.5599 0.5356 ( 4922 PWs) bands (ev): -12.9528 -12.9528 -12.9526 -12.9526 -10.3490 -10.3490 -10.3472 -10.3472 -10.0615 -10.0615 -10.0598 -10.0598 -3.1054 -3.1054 -3.1031 -3.1031 -2.2519 -2.2519 -2.2405 -2.2405 0.3642 0.3642 0.3719 0.3719 0.9660 0.9660 0.9934 0.9934 1.1921 1.1921 1.2183 1.2183 1.8635 1.8635 1.8732 1.8732 3.1088 3.1088 3.1134 3.1134 3.7138 3.7138 3.7179 3.7179 4.1920 4.1920 4.1958 4.1958 9.2760 9.2760 9.3037 9.3037 9.8938 9.8938 9.9144 9.9144 11.1338 11.1338 k = 0.0690 0.5599 0.5356 ( 4910 PWs) bands (ev): -12.9515 -12.9515 -12.9513 -12.9513 -10.3601 -10.3601 -10.3581 -10.3581 -10.0529 -10.0529 -10.0510 -10.0510 -3.0961 -3.0961 -3.0931 -3.0931 -2.2611 -2.2611 -2.2497 -2.2497 0.3681 0.3681 0.3767 0.3767 0.9417 0.9417 0.9716 0.9716 1.2159 1.2159 1.2442 1.2442 1.8574 1.8574 1.8682 1.8682 3.1131 3.1131 3.1179 3.1179 3.7173 3.7173 3.7218 3.7218 4.1848 4.1848 4.1888 4.1888 9.2617 9.2617 9.2886 9.2886 9.9057 9.9057 9.9270 9.9270 11.1173 11.1173 k = 0.0862 0.5599 0.5356 ( 4910 PWs) bands (ev): -12.9499 -12.9499 -12.9496 -12.9496 -10.3734 -10.3734 -10.3711 -10.3711 -10.0427 -10.0427 -10.0407 -10.0407 -3.0843 -3.0843 -3.0806 -3.0806 -2.2728 -2.2728 -2.2614 -2.2614 0.3731 0.3731 0.3827 0.3827 0.9168 0.9168 0.9480 0.9480 1.2419 1.2419 1.2712 1.2712 1.8499 1.8499 1.8619 1.8619 3.1184 3.1184 3.1234 3.1234 3.7219 3.7219 3.7269 3.7269 4.1756 4.1756 4.1800 4.1800 9.2446 9.2446 9.2705 9.2705 9.9202 9.9202 9.9422 9.9422 11.0974 11.0974 k = 0.1034 0.5599 0.5356 ( 4904 PWs) bands (ev): -12.9479 -12.9479 -12.9475 -12.9475 -10.3884 -10.3884 -10.3860 -10.3860 -10.0313 -10.0313 -10.0292 -10.0292 -3.0703 -3.0703 -3.0658 -3.0658 -2.2866 -2.2866 -2.2753 -2.2753 0.3793 0.3793 0.3900 0.3900 0.8919 0.8919 0.9237 0.9237 1.2690 1.2690 1.2988 1.2988 1.8412 1.8412 1.8543 1.8543 3.1243 3.1243 3.1295 3.1295 3.7276 3.7276 3.7331 3.7331 4.1647 4.1647 4.1693 4.1693 9.2253 9.2253 9.2501 9.2501 9.9369 9.9369 9.9596 9.9596 11.0751 11.0751 k = 0.1207 0.5599 0.5356 ( 4896 PWs) bands (ev): -12.9456 -12.9456 -12.9452 -12.9452 -10.4047 -10.4047 -10.4021 -10.4021 -10.0189 -10.0189 -10.0168 -10.0168 -3.0543 -3.0543 -3.0490 -3.0490 -2.3023 -2.3023 -2.2910 -2.2910 0.3866 0.3866 0.3985 0.3985 0.8672 0.8672 0.8993 0.8993 1.2965 1.2965 1.3264 1.3264 1.8312 1.8312 1.8457 1.8457 3.1307 3.1307 3.1361 3.1361 3.7344 3.7344 3.7403 3.7403 4.1520 4.1520 4.1570 4.1570 9.2046 9.2046 9.2283 9.2283 9.9554 9.9554 9.9787 9.9787 11.0510 11.0510 k = 0.1379 0.5599 0.5356 ( 4904 PWs) bands (ev): -12.9430 -12.9430 -12.9426 -12.9426 -10.4220 -10.4220 -10.4194 -10.4194 -10.0059 -10.0059 -10.0037 -10.0037 -3.0366 -3.0366 -3.0305 -3.0305 -2.3196 -2.3196 -2.3083 -2.3083 0.3951 0.3951 0.4081 0.4081 0.8429 0.8429 0.8749 0.8749 1.3241 1.3241 1.3540 1.3540 1.8204 1.8204 1.8360 1.8360 3.1372 3.1372 3.1428 3.1428 3.7421 3.7421 3.7485 3.7485 4.1378 4.1378 4.1431 4.1431 9.1832 9.1832 9.2057 9.2057 9.9754 9.9754 9.9992 9.9992 11.0256 11.0256 k = 0.1552 0.5599 0.5356 ( 4900 PWs) bands (ev): -12.9402 -12.9402 -12.9398 -12.9398 -10.4401 -10.4401 -10.4374 -10.4374 -9.9924 -9.9924 -9.9902 -9.9902 -3.0179 -3.0179 -3.0110 -3.0110 -2.3380 -2.3380 -2.3267 -2.3267 0.4047 0.4047 0.4190 0.4190 0.8193 0.8193 0.8509 0.8509 1.3514 1.3514 1.3812 1.3812 1.8087 1.8087 1.8256 1.8256 3.1436 3.1436 3.1493 3.1493 3.7508 3.7508 3.7577 3.7577 4.1224 4.1224 4.1280 4.1280 9.1615 9.1615 9.1829 9.1829 9.9966 9.9966 10.0206 10.0206 10.9996 10.9996 k = 0.1724 0.5599 0.5356 ( 4902 PWs) bands (ev): -12.9372 -12.9372 -12.9367 -12.9367 -10.4587 -10.4587 -10.4559 -10.4559 -9.9785 -9.9785 -9.9764 -9.9764 -2.9985 -2.9985 -2.9909 -2.9909 -2.3569 -2.3569 -2.3455 -2.3455 0.4155 0.4155 0.4310 0.4310 0.7962 0.7962 0.8273 0.8273 1.3784 1.3784 1.4081 1.4081 1.7963 1.7963 1.8143 1.8143 3.1497 3.1497 3.1554 3.1554 3.7604 3.7604 3.7676 3.7676 4.1059 4.1059 4.1118 4.1118 9.1401 9.1401 9.1605 9.1605 10.0186 10.0186 10.0427 10.0427 10.9733 10.9733 k = 0.1896 0.5599 0.5356 ( 4900 PWs) bands (ev): -12.9341 -12.9341 -12.9336 -12.9336 -10.4776 -10.4776 -10.4748 -10.4748 -9.9645 -9.9645 -9.9623 -9.9623 -2.9795 -2.9795 -2.9710 -2.9710 -2.3756 -2.3756 -2.3641 -2.3641 0.4274 0.4274 0.4442 0.4442 0.7738 0.7738 0.8042 0.8042 1.4047 1.4047 1.4344 1.4344 1.7834 1.7834 1.8024 1.8024 3.1551 3.1551 3.1608 3.1608 3.7706 3.7706 3.7782 3.7782 4.0887 4.0887 4.0949 4.0949 9.1195 9.1195 9.1390 9.1390 10.0412 10.0412 10.0652 10.0652 10.9474 10.9474 k = 0.2069 0.5599 0.5356 ( 4896 PWs) bands (ev): -12.9308 -12.9308 -12.9303 -12.9303 -10.4965 -10.4965 -10.4937 -10.4937 -9.9503 -9.9503 -9.9482 -9.9482 -2.9616 -2.9616 -2.9524 -2.9524 -2.3932 -2.3932 -2.3815 -2.3815 0.4404 0.4404 0.4585 0.4585 0.7521 0.7521 0.7816 0.7816 1.4304 1.4304 1.4600 1.4600 1.7699 1.7699 1.7899 1.7899 3.1597 3.1597 3.1655 3.1655 3.7812 3.7812 3.7892 3.7892 4.0712 4.0712 4.0776 4.0776 9.1000 9.1000 9.1186 9.1186 10.0641 10.0641 10.0878 10.0878 10.9221 10.9221 k = 0.2241 0.5599 0.5356 ( 4894 PWs) bands (ev): -12.9275 -12.9275 -12.9270 -12.9270 -10.5155 -10.5155 -10.5126 -10.5126 -9.9360 -9.9360 -9.9339 -9.9339 -2.9462 -2.9462 -2.9363 -2.9363 -2.4083 -2.4083 -2.3966 -2.3966 0.4545 0.4545 0.4740 0.4740 0.7312 0.7312 0.7595 0.7595 1.4554 1.4554 1.4850 1.4850 1.7560 1.7560 1.7767 1.7767 3.1634 3.1634 3.1691 3.1691 3.7919 3.7919 3.8001 3.8001 4.0540 4.0540 4.0606 4.0606 9.0820 9.0820 9.0998 9.0998 10.0869 10.0869 10.1102 10.1102 10.8981 10.8981 k = 0.2414 0.5599 0.5356 ( 4890 PWs) bands (ev): -12.9242 -12.9242 -12.9236 -12.9236 -10.5342 -10.5342 -10.5314 -10.5314 -9.9217 -9.9217 -9.9196 -9.9196 -2.9346 -2.9346 -2.9241 -2.9241 -2.4198 -2.4198 -2.4079 -2.4079 0.4698 0.4698 0.4906 0.4906 0.7109 0.7109 0.7380 0.7380 1.4794 1.4794 1.5092 1.5092 1.7417 1.7417 1.7629 1.7629 3.1659 3.1659 3.1716 3.1716 3.8021 3.8021 3.8105 3.8105 4.0377 4.0377 4.0444 4.0444 9.0656 9.0656 9.0828 9.0828 10.1094 10.1094 10.1319 10.1319 10.8757 10.8757 k = 0.2586 0.5599 0.5356 ( 4892 PWs) bands (ev): -12.9210 -12.9210 -12.9204 -12.9204 -10.5526 -10.5526 -10.5497 -10.5497 -9.9073 -9.9073 -9.9053 -9.9053 -2.9282 -2.9282 -2.9174 -2.9174 -2.4260 -2.4260 -2.4140 -2.4140 0.4862 0.4862 0.5083 0.5083 0.6914 0.6914 0.7170 0.7170 1.5025 1.5025 1.5324 1.5324 1.7271 1.7271 1.7485 1.7485 3.1673 3.1673 3.1730 3.1730 3.8111 3.8111 3.8195 3.8195 4.0234 4.0234 4.0299 4.0299 9.0511 9.0511 9.0677 9.0677 10.1309 10.1309 10.1526 10.1526 10.8557 10.8557 k = 0.2759 0.5599 0.5356 ( 4904 PWs) bands (ev): -12.9179 -12.9179 -12.9173 -12.9173 -10.5704 -10.5704 -10.5676 -10.5676 -9.8930 -9.8930 -9.8910 -9.8910 -2.9284 -2.9284 -2.9174 -2.9174 -2.4258 -2.4258 -2.4139 -2.4139 0.5036 0.5036 0.5271 0.5271 0.6727 0.6727 0.6965 0.6965 1.5244 1.5244 1.5546 1.5546 1.7123 1.7123 1.7335 1.7335 3.1675 3.1675 3.1732 3.1732 3.8179 3.8179 3.8261 3.8261 4.0121 4.0121 4.0182 4.0182 9.0385 9.0385 9.0547 9.0547 10.1512 10.1512 10.1717 10.1717 10.8385 10.8385 k = 0.2931 0.5599 0.5356 ( 4908 PWs) bands (ev): -12.9149 -12.9149 -12.9143 -12.9143 -10.5877 -10.5877 -10.5849 -10.5849 -9.8786 -9.8786 -9.8766 -9.8766 -2.9358 -2.9358 -2.9250 -2.9250 -2.4185 -2.4185 -2.4067 -2.4067 0.5217 0.5217 0.5470 0.5470 0.6550 0.6550 0.6766 0.6766 1.5448 1.5448 1.5754 1.5754 1.6978 1.6978 1.7179 1.7179 3.1666 3.1666 3.1724 3.1724 3.8215 3.8215 3.8294 3.8294 4.0049 4.0049 4.0104 4.0104 9.0279 9.0279 9.0438 9.0438 10.1694 10.1694 10.1887 10.1887 10.8249 10.8249 k = 0.3103 0.5599 0.5356 ( 4904 PWs) bands (ev): -12.9122 -12.9122 -12.9116 -12.9116 -10.6042 -10.6042 -10.6015 -10.6015 -9.8643 -9.8643 -9.8624 -9.8624 -2.9506 -2.9506 -2.9401 -2.9401 -2.4040 -2.4040 -2.3924 -2.3924 0.5401 0.5401 0.5677 0.5677 0.6390 0.6390 0.6574 0.6574 1.5626 1.5626 1.5935 1.5935 1.6848 1.6848 1.7025 1.7025 3.1647 3.1647 3.1705 3.1705 3.8210 3.8210 3.8285 3.8285 4.0027 4.0027 4.0075 4.0075 9.0193 9.0193 9.0349 9.0349 10.1850 10.1850 10.2030 10.2030 10.8156 10.8156 k = 0.3276 0.5599 0.5356 ( 4904 PWs) bands (ev): -12.9097 -12.9097 -12.9091 -12.9091 -10.6198 -10.6198 -10.6172 -10.6172 -9.8500 -9.8500 -9.8481 -9.8481 -2.9722 -2.9722 -2.9621 -2.9621 -2.3832 -2.3832 -2.3716 -2.3716 0.5569 0.5569 0.5881 0.5881 0.6268 0.6268 0.6396 0.6396 1.5757 1.5757 1.6063 1.6063 1.6765 1.6765 1.6888 1.6888 3.1620 3.1620 3.1679 3.1679 3.8163 3.8163 3.8234 3.8234 4.0055 4.0055 4.0097 4.0097 9.0127 9.0127 9.0281 9.0281 10.1972 10.1972 10.2140 10.2140 10.8111 10.8111 k = 0.3448 0.5599 0.5356 ( 4912 PWs) bands (ev): -12.9076 -12.9076 -12.9071 -12.9071 -10.6345 -10.6345 -10.6319 -10.6319 -9.8358 -9.8358 -9.8339 -9.8339 -2.9998 -2.9998 -2.9901 -2.9901 -2.3570 -2.3570 -2.3454 -2.3454 0.5665 0.5665 0.6011 0.6011 0.6264 0.6264 0.6278 0.6278 1.5795 1.5795 1.6090 1.6090 1.6763 1.6763 1.6826 1.6826 3.1587 3.1587 3.1646 3.1646 3.8079 3.8079 3.8149 3.8149 4.0125 4.0125 4.0165 4.0165 9.0079 9.0079 9.0232 9.0232 10.2054 10.2054 10.2213 10.2213 10.8115 10.8115 k = 0.3448 0.5599 0.5356 ( 4912 PWs) bands (ev): -12.9076 -12.9076 -12.9071 -12.9071 -10.6345 -10.6345 -10.6319 -10.6319 -9.8358 -9.8358 -9.8339 -9.8339 -2.9998 -2.9998 -2.9901 -2.9901 -2.3570 -2.3570 -2.3454 -2.3454 0.5665 0.5665 0.6011 0.6011 0.6264 0.6264 0.6278 0.6278 1.5795 1.5795 1.6090 1.6090 1.6763 1.6763 1.6826 1.6826 3.1587 3.1587 3.1646 3.1646 3.8079 3.8079 3.8149 3.8149 4.0125 4.0125 4.0165 4.0165 9.0079 9.0079 9.0232 9.0232 10.2054 10.2054 10.2213 10.2213 10.8115 10.8115 k = 0.3360 0.5456 0.5356 ( 4908 PWs) bands (ev): -12.9113 -12.9113 -12.9107 -12.9107 -10.6075 -10.6075 -10.6048 -10.6048 -9.8625 -9.8625 -9.8606 -9.8606 -2.9428 -2.9428 -2.9324 -2.9324 -2.4112 -2.4112 -2.3997 -2.3997 0.5607 0.5607 0.5960 0.5960 0.6203 0.6203 0.6220 0.6220 1.5834 1.5834 1.6149 1.6149 1.6735 1.6735 1.6795 1.6795 3.1650 3.1650 3.1708 3.1708 3.8264 3.8264 3.8336 3.8336 3.9965 3.9965 4.0005 4.0005 9.0146 9.0146 9.0300 9.0300 10.1947 10.1947 10.2117 10.2117 10.8102 10.8102 k = 0.3271 0.5312 0.5356 ( 4904 PWs) bands (ev): -12.9151 -12.9151 -12.9145 -12.9145 -10.5792 -10.5792 -10.5764 -10.5764 -9.8895 -9.8895 -9.8876 -9.8876 -2.8846 -2.8846 -2.8733 -2.8733 -2.4672 -2.4672 -2.4559 -2.4559 0.5546 0.5546 0.5904 0.5904 0.6141 0.6141 0.6161 0.6161 1.5862 1.5862 1.6193 1.6193 1.6724 1.6724 1.6783 1.6783 3.1705 3.1705 3.1763 3.1763 3.8450 3.8450 3.8524 3.8524 3.9815 3.9815 3.9855 3.9855 9.0200 9.0200 9.0354 9.0354 10.1846 10.1846 10.2025 10.2025 10.8129 10.8129 k = 0.3183 0.5168 0.5356 ( 4912 PWs) bands (ev): -12.9192 -12.9192 -12.9185 -12.9185 -10.5497 -10.5497 -10.5468 -10.5468 -9.9168 -9.9168 -9.9149 -9.9149 -2.8253 -2.8253 -2.8133 -2.8133 -2.5249 -2.5249 -2.5138 -2.5138 0.5479 0.5479 0.5843 0.5843 0.6077 0.6077 0.6101 0.6101 1.5880 1.5880 1.6222 1.6222 1.6729 1.6729 1.6791 1.6791 3.1753 3.1753 3.1810 3.1810 3.8636 3.8636 3.8713 3.8713 3.9678 3.9678 3.9716 3.9716 9.0243 9.0243 9.0394 9.0394 10.1746 10.1746 10.1933 10.1933 10.8198 10.8198 k = 0.3094 0.5025 0.5356 ( 4904 PWs) bands (ev): -12.9234 -12.9234 -12.9227 -12.9227 -10.5191 -10.5191 -10.5161 -10.5161 -9.9442 -9.9442 -9.9422 -9.9422 -2.7654 -2.7654 -2.7524 -2.7524 -2.5840 -2.5840 -2.5733 -2.5733 0.5407 0.5407 0.5775 0.5775 0.6010 0.6010 0.6037 0.6037 1.5891 1.5891 1.6239 1.6239 1.6752 1.6752 1.6820 1.6820 3.1793 3.1793 3.1849 3.1849 3.8821 3.8821 3.8902 3.8902 3.9555 3.9555 3.9591 3.9591 9.0273 9.0273 9.0422 9.0422 10.1643 10.1643 10.1839 10.1839 10.8308 10.8308 k = 0.3006 0.4881 0.5356 ( 4910 PWs) bands (ev): -12.9277 -12.9277 -12.9271 -12.9271 -10.4874 -10.4874 -10.4843 -10.4843 -9.9716 -9.9716 -9.9696 -9.9696 -2.7055 -2.7055 -2.6911 -2.6911 -2.6439 -2.6439 -2.6341 -2.6341 0.5328 0.5328 0.5700 0.5700 0.5941 0.5941 0.5970 0.5970 1.5893 1.5893 1.6243 1.6243 1.6794 1.6794 1.6872 1.6872 3.1824 3.1824 3.1879 3.1879 3.9002 3.9002 3.9089 3.9089 3.9450 3.9450 3.9481 3.9481 9.0292 9.0292 9.0437 9.0437 10.1534 10.1534 10.1738 10.1738 10.8459 10.8459 k = 0.2918 0.4738 0.5356 ( 4920 PWs) bands (ev): -12.9323 -12.9323 -12.9316 -12.9316 -10.4547 -10.4547 -10.4514 -10.4514 -9.9988 -9.9988 -9.9969 -9.9969 -2.7082 -2.7082 -2.6967 -2.6967 -2.6421 -2.6421 -2.6288 -2.6288 0.5241 0.5241 0.5616 0.5616 0.5869 0.5869 0.5900 0.5900 1.5888 1.5888 1.6236 1.6236 1.6858 1.6858 1.6948 1.6948 3.1847 3.1847 3.1901 3.1901 3.9166 3.9166 3.9271 3.9271 3.9375 3.9375 3.9390 3.9390 9.0300 9.0300 9.0442 9.0442 10.1416 10.1416 10.1627 10.1627 10.8650 10.8650 k = 0.2829 0.4594 0.5356 ( 4920 PWs) bands (ev): -12.9370 -12.9370 -12.9363 -12.9363 -10.4210 -10.4210 -10.4177 -10.4177 -10.0259 -10.0259 -10.0239 -10.0239 -2.7704 -2.7704 -2.7600 -2.7600 -2.5817 -2.5817 -2.5669 -2.5669 0.5145 0.5145 0.5524 0.5524 0.5792 0.5792 0.5825 0.5825 1.5874 1.5874 1.6218 1.6218 1.6947 1.6947 1.7049 1.7049 3.1861 3.1861 3.1913 3.1913 3.9227 3.9227 3.9302 3.9302 3.9417 3.9417 3.9463 3.9463 9.0301 9.0301 9.0438 9.0438 10.1284 10.1284 10.1502 10.1502 10.8878 10.8878 k = 0.2741 0.4451 0.5356 ( 4912 PWs) bands (ev): -12.9418 -12.9418 -12.9411 -12.9411 -10.3864 -10.3864 -10.3830 -10.3830 -10.0527 -10.0527 -10.0507 -10.0507 -2.8342 -2.8342 -2.8242 -2.8242 -2.5206 -2.5206 -2.5050 -2.5050 0.5040 0.5040 0.5424 0.5424 0.5711 0.5711 0.5743 0.5743 1.5853 1.5853 1.6193 1.6193 1.7060 1.7060 1.7175 1.7175 3.1866 3.1866 3.1918 3.1918 3.9190 3.9190 3.9243 3.9243 3.9571 3.9571 3.9639 3.9639 9.0295 9.0295 9.0427 9.0427 10.1137 10.1137 10.1361 10.1361 10.9140 10.9140 k = 0.2652 0.4307 0.5356 ( 4924 PWs) bands (ev): -12.9467 -12.9467 -12.9460 -12.9460 -10.3510 -10.3510 -10.3475 -10.3475 -10.0791 -10.0791 -10.0772 -10.0772 -2.8988 -2.8988 -2.8893 -2.8893 -2.4598 -2.4598 -2.4432 -2.4432 0.4927 0.4927 0.5315 0.5315 0.5624 0.5624 0.5655 0.5655 1.5827 1.5827 1.6161 1.6161 1.7199 1.7199 1.7326 1.7326 3.1864 3.1864 3.1914 3.1914 3.9154 3.9154 3.9200 3.9200 3.9737 3.9737 3.9813 3.9813 9.0284 9.0284 9.0411 9.0411 10.0971 10.0971 10.1201 10.1201 10.9433 10.9433 k = 0.2564 0.4163 0.5356 ( 4916 PWs) bands (ev): -12.9518 -12.9518 -12.9510 -12.9510 -10.3148 -10.3148 -10.3113 -10.3113 -10.1050 -10.1050 -10.1032 -10.1032 -2.9641 -2.9641 -2.9550 -2.9550 -2.3993 -2.3993 -2.3819 -2.3819 0.4806 0.4806 0.5199 0.5199 0.5529 0.5529 0.5558 0.5558 1.5796 1.5796 1.6125 1.6125 1.7363 1.7363 1.7499 1.7499 3.1854 3.1854 3.1903 3.1903 3.9131 3.9131 3.9173 3.9173 3.9901 3.9901 3.9982 3.9982 9.0269 9.0269 9.0391 9.0391 10.0787 10.0787 10.1020 10.1020 10.9752 10.9752 k = 0.2476 0.4020 0.5356 ( 4916 PWs) bands (ev): -12.9569 -12.9569 -12.9562 -12.9562 -10.2780 -10.2780 -10.2744 -10.2744 -10.1305 -10.1305 -10.1287 -10.1287 -3.0297 -3.0297 -3.0211 -3.0211 -2.3394 -2.3394 -2.3212 -2.3212 0.4678 0.4678 0.5077 0.5077 0.5425 0.5425 0.5451 0.5451 1.5764 1.5764 1.6087 1.6087 1.7550 1.7550 1.7694 1.7694 3.1838 3.1838 3.1886 3.1886 3.9125 3.9125 3.9163 3.9163 4.0061 4.0061 4.0145 4.0145 9.0253 9.0253 9.0369 9.0369 10.0581 10.0581 10.0818 10.0818 11.0094 11.0094 k = 0.2387 0.3876 0.5356 ( 4916 PWs) bands (ev): -12.9622 -12.9622 -12.9614 -12.9614 -10.2407 -10.2407 -10.2370 -10.2370 -10.1553 -10.1553 -10.1536 -10.1536 -3.0957 -3.0957 -3.0875 -3.0875 -2.2802 -2.2802 -2.2613 -2.2613 0.4544 0.4544 0.4949 0.4949 0.5313 0.5313 0.5334 0.5334 1.5733 1.5733 1.6050 1.6050 1.7758 1.7758 1.7909 1.7909 3.1816 3.1816 3.1863 3.1863 3.9134 3.9134 3.9169 3.9169 4.0215 4.0215 4.0303 4.0303 9.0235 9.0235 9.0345 9.0345 10.0355 10.0355 10.0595 10.0595 11.0453 11.0453 k = 0.2299 0.3733 0.5356 ( 4908 PWs) bands (ev): -12.9675 -12.9675 -12.9667 -12.9667 -10.2033 -10.2033 -10.1993 -10.1993 -10.1791 -10.1791 -10.1777 -10.1777 -3.1618 -3.1618 -3.1540 -3.1540 -2.2219 -2.2219 -2.2023 -2.2023 0.4405 0.4405 0.4816 0.4816 0.5190 0.5190 0.5206 0.5206 1.5705 1.5705 1.6016 1.6016 1.7984 1.7984 1.8140 1.8140 3.1791 3.1791 3.1837 3.1837 3.9159 3.9159 3.9191 3.9191 4.0363 4.0363 4.0454 4.0454 9.0217 9.0217 9.0322 9.0322 10.0108 10.0108 10.0350 10.0350 11.0823 11.0823 k = 0.2210 0.3589 0.5356 ( 4904 PWs) bands (ev): -12.9728 -12.9728 -12.9721 -12.9721 -10.2038 -10.2038 -10.2017 -10.2017 -10.1639 -10.1639 -10.1606 -10.1606 -3.2278 -3.2278 -3.2205 -3.2205 -2.1647 -2.1647 -2.1445 -2.1445 0.4263 0.4263 0.4680 0.4680 0.5057 0.5057 0.5067 0.5067 1.5681 1.5681 1.5987 1.5987 1.8225 1.8225 1.8385 1.8385 3.1763 3.1763 3.1808 3.1808 3.9198 3.9198 3.9226 3.9226 4.0505 4.0505 4.0599 4.0599 9.0199 9.0199 9.0299 9.0299 9.9842 9.9842 10.0084 10.0084 11.1198 11.1198 k = 0.2122 0.3446 0.5356 ( 4904 PWs) bands (ev): -12.9782 -12.9782 -12.9774 -12.9774 -10.2264 -10.2264 -10.2246 -10.2246 -10.1256 -10.1256 -10.1221 -10.1221 -3.2936 -3.2936 -3.2867 -3.2867 -2.1087 -2.1087 -2.0878 -2.0878 0.4118 0.4118 0.4541 0.4541 0.4914 0.4914 0.4917 0.4917 1.5665 1.5665 1.5963 1.5963 1.8478 1.8478 1.8640 1.8640 3.1735 3.1735 3.1780 3.1780 3.9250 3.9250 3.9275 3.9275 4.0641 4.0641 4.0737 4.0737 9.0181 9.0181 9.0276 9.0276 9.9558 9.9558 9.9800 9.9800 11.1573 11.1573 k = 0.2034 0.3302 0.5356 ( 4896 PWs) bands (ev): -12.9836 -12.9836 -12.9828 -12.9828 -10.2484 -10.2484 -10.2467 -10.2467 -10.0870 -10.0870 -10.0834 -10.0834 -3.3589 -3.3589 -3.3525 -3.3525 -2.0540 -2.0540 -2.0326 -2.0326 0.3972 0.3972 0.4401 0.4401 0.4757 0.4757 0.4762 0.4762 1.5656 1.5656 1.5947 1.5947 1.8738 1.8738 1.8901 1.8901 3.1709 3.1709 3.1754 3.1754 3.9314 3.9314 3.9336 3.9336 4.0770 4.0770 4.0868 4.0868 9.0163 9.0163 9.0252 9.0252 9.9258 9.9258 9.9499 9.9499 11.1939 11.1939 k = 0.1945 0.3158 0.5356 ( 4888 PWs) bands (ev): -12.9889 -12.9889 -12.9882 -12.9882 -10.2697 -10.2697 -10.2680 -10.2680 -10.0483 -10.0483 -10.0447 -10.0447 -3.4237 -3.4237 -3.4177 -3.4177 -2.0007 -2.0007 -1.9788 -1.9788 0.3825 0.3825 0.4260 0.4260 0.4588 0.4588 0.4601 0.4601 1.5657 1.5657 1.5939 1.5939 1.9002 1.9002 1.9165 1.9165 3.1688 3.1688 3.1733 3.1733 3.9389 3.9389 3.9407 3.9407 4.0893 4.0893 4.0993 4.0993 9.0143 9.0143 9.0228 9.0228 9.8945 9.8945 9.9183 9.9183 11.2289 11.2289 k = 0.1857 0.3015 0.5356 ( 4892 PWs) bands (ev): -12.9943 -12.9943 -12.9936 -12.9936 -10.2901 -10.2901 -10.2886 -10.2886 -10.0096 -10.0096 -10.0061 -10.0061 -3.4877 -3.4877 -3.4821 -3.4821 -1.9490 -1.9490 -1.9267 -1.9267 0.3678 0.3678 0.4118 0.4118 0.4412 0.4412 0.4433 0.4433 1.5666 1.5666 1.5939 1.5939 1.9265 1.9265 1.9427 1.9427 3.1673 3.1673 3.1719 3.1719 3.9473 3.9473 3.9488 3.9488 4.1009 4.1009 4.1111 4.1111 9.0120 9.0120 9.0201 9.0201 9.8621 9.8621 9.8856 9.8856 11.2617 11.2617 k = 0.1768 0.2871 0.5356 ( 4886 PWs) bands (ev): -12.9996 -12.9996 -12.9989 -12.9989 -10.3097 -10.3097 -10.3082 -10.3082 -9.9712 -9.9712 -9.9677 -9.9677 -3.5507 -3.5507 -3.5455 -3.5455 -1.8989 -1.8989 -1.8763 -1.8763 0.3532 0.3532 0.3976 0.3976 0.4232 0.4232 0.4260 0.4260 1.5684 1.5684 1.5948 1.5948 1.9523 1.9523 1.9682 1.9682 3.1668 3.1668 3.1715 3.1715 3.9564 3.9564 3.9577 3.9577 4.1120 4.1120 4.1223 4.1223 9.0094 9.0094 9.0170 9.0170 9.8288 9.8288 9.8519 9.8519 11.2916 11.2916 k = 0.1680 0.2728 0.5356 ( 4894 PWs) bands (ev): -13.0048 -13.0048 -13.0041 -13.0041 -10.3284 -10.3284 -10.3270 -10.3270 -9.9331 -9.9331 -9.9296 -9.9296 -3.6125 -3.6125 -3.6077 -3.6077 -1.8506 -1.8506 -1.8278 -1.8278 0.3388 0.3388 0.3830 0.3830 0.4052 0.4052 0.4084 0.4084 1.5711 1.5711 1.5964 1.5964 1.9771 1.9771 1.9927 1.9927 3.1676 3.1676 3.1724 3.1724 3.9662 3.9662 3.9672 3.9672 4.1224 4.1224 4.1328 4.1328 9.0061 9.0061 9.0134 9.0134 9.7950 9.7950 9.8176 9.8176 11.3179 11.3179 k = 0.1591 0.2584 0.5356 ( 4890 PWs) bands (ev): -13.0099 -13.0099 -13.0092 -13.0092 -10.3462 -10.3462 -10.3448 -10.3448 -9.8955 -9.8955 -9.8921 -9.8921 -3.6729 -3.6729 -3.6686 -3.6686 -1.8041 -1.8041 -1.7812 -1.7812 0.3244 0.3244 0.3678 0.3678 0.3878 0.3878 0.3908 0.3908 1.5746 1.5746 1.5989 1.5989 2.0006 2.0006 2.0157 2.0157 3.1698 3.1698 3.1747 3.1747 3.9765 3.9765 3.9772 3.9772 4.1323 4.1323 4.1427 4.1427 9.0022 9.0022 9.0091 9.0091 9.7610 9.7610 9.7830 9.7830 11.3404 11.3404 k = 0.1503 0.2441 0.5356 ( 4890 PWs) bands (ev): -13.0149 -13.0149 -13.0142 -13.0142 -10.3631 -10.3631 -10.3618 -10.3618 -9.8586 -9.8586 -9.8553 -9.8553 -3.7318 -3.7318 -3.7278 -3.7278 -1.7595 -1.7595 -1.7366 -1.7366 0.3101 0.3101 0.3514 0.3514 0.3719 0.3719 0.3735 0.3735 1.5788 1.5788 1.6020 1.6020 2.0224 2.0224 2.0369 2.0369 3.1736 3.1736 3.1789 3.1789 3.9872 3.9872 3.9876 3.9876 4.1416 4.1416 4.1520 4.1520 8.9974 8.9974 9.0040 9.0040 9.7270 9.7270 9.7483 9.7483 11.3591 11.3591 k = 0.1415 0.2297 0.5356 ( 4894 PWs) bands (ev): -13.0198 -13.0198 -13.0191 -13.0191 -10.3790 -10.3790 -10.3778 -10.3778 -9.8225 -9.8225 -9.8192 -9.8192 -3.7889 -3.7889 -3.7853 -3.7853 -1.7169 -1.7169 -1.6942 -1.6942 0.2959 0.2959 0.3337 0.3337 0.3568 0.3568 0.3577 0.3577 1.5837 1.5837 1.6057 1.6057 2.0422 2.0422 2.0559 2.0559 3.1793 3.1793 3.1848 3.1848 3.9980 3.9980 3.9982 3.9982 4.1504 4.1504 4.1607 4.1607 8.9916 8.9916 8.9979 8.9979 9.6933 9.6933 9.7139 9.7139 11.3742 11.3742 k = 0.1326 0.2153 0.5356 ( 4894 PWs) bands (ev): -13.0244 -13.0244 -13.0238 -13.0238 -10.3940 -10.3940 -10.3929 -10.3929 -9.7873 -9.7873 -9.7842 -9.7842 -3.8439 -3.8439 -3.8407 -3.8407 -1.6764 -1.6764 -1.6540 -1.6540 0.2816 0.2816 0.3151 0.3151 0.3410 0.3410 0.3451 0.3451 1.5891 1.5891 1.6098 1.6098 2.0596 2.0596 2.0725 2.0725 3.1869 3.1869 3.1927 3.1927 4.0090 4.0090 4.0090 4.0090 4.1587 4.1587 4.1689 4.1689 8.9849 8.9849 8.9909 8.9909 9.6603 9.6603 9.6799 9.6799 11.3864 11.3864 k = 0.1238 0.2010 0.5356 ( 4900 PWs) bands (ev): -13.0289 -13.0289 -13.0284 -13.0284 -10.4080 -10.4080 -10.4070 -10.4070 -9.7533 -9.7533 -9.7503 -9.7503 -3.8968 -3.8968 -3.8939 -3.8939 -1.6380 -1.6380 -1.6161 -1.6161 0.2672 0.2672 0.2963 0.2963 0.3264 0.3264 0.3337 0.3337 1.5949 1.5949 1.6144 1.6144 2.0746 2.0746 2.0866 2.0866 3.1964 3.1964 3.2024 3.2024 4.0197 4.0197 4.0199 4.0199 4.1665 4.1665 4.1765 4.1765 8.9770 8.9770 8.9828 8.9828 9.6280 9.6280 9.6467 9.6467 11.3963 11.3963 k = 0.1149 0.1866 0.5356 ( 4896 PWs) bands (ev): -13.0332 -13.0332 -13.0327 -13.0327 -10.4211 -10.4211 -10.4201 -10.4201 -9.7206 -9.7206 -9.7178 -9.7178 -3.9472 -3.9472 -3.9446 -3.9446 -1.6019 -1.6019 -1.5805 -1.5805 0.2528 0.2528 0.2778 0.2778 0.3132 0.3132 0.3232 0.3232 1.6010 1.6010 1.6191 1.6191 2.0871 2.0871 2.0981 2.0981 3.2076 3.2076 3.2139 3.2139 4.0303 4.0303 4.0306 4.0306 4.1738 4.1738 4.1836 4.1836 8.9682 8.9682 8.9737 8.9737 9.5969 9.5969 9.6146 9.6146 11.4048 11.4048 k = 0.1061 0.1723 0.5356 ( 4900 PWs) bands (ev): -13.0373 -13.0373 -13.0368 -13.0368 -10.4332 -10.4332 -10.4323 -10.4323 -9.6894 -9.6894 -9.6867 -9.6867 -3.9950 -3.9950 -3.9927 -3.9927 -1.5680 -1.5680 -1.5474 -1.5474 0.2385 0.2385 0.2597 0.2597 0.3015 0.3015 0.3136 0.3136 1.6073 1.6073 1.6241 1.6241 2.0972 2.0972 2.1071 2.1071 3.2204 3.2204 3.2268 3.2268 4.0406 4.0406 4.0410 4.0410 4.1807 4.1807 4.1901 4.1901 8.9585 8.9585 8.9637 8.9637 9.5671 9.5671 9.5838 9.5838 11.4126 11.4126 k = 0.0973 0.1579 0.5356 ( 4892 PWs) bands (ev): -13.0411 -13.0411 -13.0406 -13.0406 -10.4444 -10.4444 -10.4435 -10.4435 -9.6599 -9.6599 -9.6574 -9.6574 -4.0400 -4.0400 -4.0379 -4.0379 -1.5365 -1.5365 -1.5168 -1.5168 0.2243 0.2243 0.2424 0.2424 0.2914 0.2914 0.3048 0.3048 1.6135 1.6135 1.6290 1.6290 2.1049 2.1049 2.1138 2.1138 3.2345 3.2345 3.2410 3.2410 4.0506 4.0506 4.0511 4.0511 4.1871 4.1871 4.1961 4.1961 8.9480 8.9480 8.9529 8.9529 9.5389 9.5389 9.5544 9.5544 11.4201 11.4201 k = 0.0884 0.1436 0.5356 ( 4898 PWs) bands (ev): -13.0447 -13.0447 -13.0442 -13.0442 -10.4545 -10.4545 -10.4538 -10.4538 -9.6322 -9.6322 -9.6299 -9.6299 -4.0818 -4.0818 -4.0800 -4.0800 -1.5073 -1.5073 -1.4888 -1.4888 0.2106 0.2106 0.2260 0.2260 0.2826 0.2826 0.2968 0.2968 1.6198 1.6198 1.6339 1.6339 2.1105 2.1105 2.1184 2.1184 3.2494 3.2494 3.2559 3.2559 4.0601 4.0601 4.0606 4.0606 4.1931 4.1931 4.2016 4.2016 8.9369 8.9369 8.9415 8.9415 9.5125 9.5125 9.5268 9.5268 11.4278 11.4278 k = 0.0796 0.1292 0.5356 ( 4902 PWs) bands (ev): -13.0479 -13.0479 -13.0475 -13.0475 -10.4637 -10.4637 -10.4630 -10.4630 -9.6065 -9.6065 -9.6044 -9.6044 -4.1204 -4.1204 -4.1189 -4.1189 -1.4807 -1.4807 -1.4634 -1.4634 0.1977 0.1977 0.2107 0.2107 0.2752 0.2752 0.2895 0.2895 1.6258 1.6258 1.6385 1.6385 2.1143 2.1143 2.1212 2.1212 3.2649 3.2649 3.2713 3.2713 4.0690 4.0690 4.0695 4.0695 4.1986 4.1986 4.2066 4.2066 8.9256 8.9256 8.9299 8.9299 9.4880 9.4880 9.5011 9.5011 11.4359 11.4359 k = 0.0707 0.1149 0.5356 ( 4898 PWs) bands (ev): -13.0509 -13.0509 -13.0505 -13.0505 -10.4719 -10.4719 -10.4713 -10.4713 -9.5830 -9.5830 -9.5811 -9.5811 -4.1556 -4.1556 -4.1542 -4.1542 -1.4565 -1.4565 -1.4406 -1.4406 0.1856 0.1856 0.1966 0.1966 0.2690 0.2690 0.2829 0.2829 1.6316 1.6316 1.6429 1.6429 2.1165 2.1165 2.1225 2.1225 3.2804 3.2804 3.2865 3.2865 4.0772 4.0772 4.0778 4.0778 4.2037 4.2037 4.2111 4.2111 8.9143 8.9143 8.9182 8.9182 9.4657 9.4657 9.4775 9.4775 11.4443 11.4443 k = 0.0619 0.1005 0.5356 ( 4890 PWs) bands (ev): -13.0535 -13.0535 -13.0532 -13.0532 -10.4792 -10.4792 -10.4786 -10.4786 -9.5619 -9.5619 -9.5601 -9.5601 -4.1871 -4.1871 -4.1859 -4.1859 -1.4349 -1.4349 -1.4206 -1.4206 0.1746 0.1746 0.1838 0.1838 0.2640 0.2640 0.2770 0.2770 1.6370 1.6370 1.6469 1.6469 2.1175 2.1175 2.1226 2.1226 3.2954 3.2954 3.3011 3.3011 4.0847 4.0847 4.0853 4.0853 4.2083 4.2083 4.2150 4.2150 8.9034 8.9034 8.9069 8.9069 9.4457 9.4457 9.4561 9.4561 11.4529 11.4529 k = 0.0530 0.0861 0.5356 ( 4886 PWs) bands (ev): -13.0558 -13.0558 -13.0556 -13.0556 -10.4855 -10.4855 -10.4850 -10.4850 -9.5431 -9.5431 -9.5416 -9.5416 -4.2147 -4.2147 -4.2138 -4.2138 -1.4159 -1.4159 -1.4034 -1.4034 0.1649 0.1649 0.1725 0.1725 0.2600 0.2600 0.2717 0.2717 1.6419 1.6419 1.6504 1.6504 2.1177 2.1177 2.1219 2.1219 3.3095 3.3095 3.3148 3.3148 4.0914 4.0914 4.0919 4.0919 4.2124 4.2124 4.2183 4.2183 8.8931 8.8931 8.8961 8.8961 9.4283 9.4283 9.4372 9.4372 11.4615 11.4615 k = 0.0442 0.0718 0.5356 ( 4890 PWs) bands (ev): -13.0578 -13.0578 -13.0576 -13.0576 -10.4907 -10.4907 -10.4904 -10.4904 -9.5271 -9.5271 -9.5258 -9.5258 -4.2384 -4.2384 -4.2376 -4.2376 -1.3996 -1.3996 -1.3889 -1.3889 0.1565 0.1565 0.1627 0.1627 0.2569 0.2569 0.2672 0.2672 1.6463 1.6463 1.6534 1.6534 2.1173 2.1173 2.1207 2.1207 3.3224 3.3224 3.3270 3.3270 4.0971 4.0971 4.0976 4.0976 4.2160 4.2160 4.2211 4.2211 8.8838 8.8838 8.8864 8.8864 9.4133 9.4133 9.4209 9.4209 11.4698 11.4698 k = 0.0354 0.0574 0.5356 ( 4866 PWs) bands (ev): -13.0595 -13.0595 -13.0593 -13.0593 -10.4951 -10.4951 -10.4948 -10.4948 -9.5137 -9.5137 -9.5126 -9.5126 -4.2579 -4.2579 -4.2573 -4.2573 -1.3860 -1.3860 -1.3773 -1.3773 0.1496 0.1496 0.1545 0.1545 0.2547 0.2547 0.2632 0.2632 1.6501 1.6501 1.6558 1.6558 2.1165 2.1165 2.1192 2.1192 3.3336 3.3336 3.3374 3.3374 4.1019 4.1019 4.1023 4.1023 4.2192 4.2192 4.2233 4.2233 8.8758 8.8758 8.8779 8.8779 9.4011 9.4011 9.4072 9.4072 11.4774 11.4774 k = 0.0265 0.0431 0.5356 ( 4874 PWs) bands (ev): -13.0607 -13.0607 -13.0606 -13.0606 -10.4984 -10.4984 -10.4982 -10.4982 -9.5031 -9.5031 -9.5024 -9.5024 -4.2733 -4.2733 -4.2728 -4.2728 -1.3751 -1.3751 -1.3685 -1.3685 0.1443 0.1443 0.1479 0.1479 0.2534 0.2534 0.2599 0.2599 1.6533 1.6533 1.6576 1.6576 2.1158 2.1158 2.1178 2.1178 3.3427 3.3427 3.3457 3.3457 4.1057 4.1057 4.1060 4.1060 4.2218 4.2218 4.2249 4.2249 8.8693 8.8693 8.8709 8.8709 9.3917 9.3917 9.3963 9.3963 11.4839 11.4839 k = 0.0177 0.0287 0.5356 ( 4870 PWs) bands (ev): -13.0616 -13.0616 -13.0615 -13.0615 -10.5008 -10.5008 -10.5007 -10.5007 -9.4955 -9.4955 -9.4950 -9.4950 -4.2843 -4.2843 -4.2840 -4.2840 -1.3670 -1.3670 -1.3625 -1.3625 0.1407 0.1407 0.1431 0.1431 0.2528 0.2528 0.2572 0.2572 1.6558 1.6558 1.6587 1.6587 2.1152 2.1152 2.1165 2.1165 3.3496 3.3496 3.3516 3.3516 4.1085 4.1085 4.1087 4.1087 4.2238 4.2238 4.2259 4.2259 8.8646 8.8646 8.8657 8.8657 9.3852 9.3852 9.3883 9.3883 11.4892 11.4892 k = 0.0088 0.0144 0.5356 ( 4874 PWs) bands (ev): -13.0622 -13.0622 -13.0621 -13.0621 -10.5022 -10.5022 -10.5022 -10.5022 -9.4909 -9.4909 -9.4906 -9.4906 -4.2909 -4.2909 -4.2907 -4.2907 -1.3616 -1.3616 -1.3594 -1.3594 0.1387 0.1387 0.1399 0.1399 0.2529 0.2529 0.2551 0.2551 1.6576 1.6576 1.6591 1.6591 2.1149 2.1149 2.1156 2.1156 3.3540 3.3540 3.3551 3.3551 4.1102 4.1102 4.1103 4.1103 4.2252 4.2252 4.2263 4.2263 8.8618 8.8618 8.8624 8.8624 9.3815 9.3815 9.3831 9.3831 11.4929 11.4929 k = 0.0000 0.0000 0.5356 ( 4868 PWs) bands (ev): -13.0623 -13.0623 -13.0623 -13.0623 -10.5027 -10.5027 -10.5027 -10.5027 -9.4892 -9.4892 -9.4892 -9.4892 -4.2930 -4.2930 -4.2930 -4.2930 -1.3591 -1.3591 -1.3591 -1.3591 0.1384 0.1384 0.1384 0.1384 0.2537 0.2537 0.2537 0.2537 1.6587 1.6587 1.6587 1.6587 2.1150 2.1150 2.1150 2.1150 3.3559 3.3559 3.3559 3.3559 4.1108 4.1108 4.1108 4.1108 4.2261 4.2261 4.2261 4.2261 8.8611 8.8611 8.8611 8.8611 9.3808 9.3808 9.3808 9.3808 11.4950 11.4950 k = 0.0000 0.0000 0.5356 ( 4868 PWs) bands (ev): -13.0623 -13.0623 -13.0623 -13.0623 -10.5027 -10.5027 -10.5027 -10.5027 -9.4892 -9.4892 -9.4892 -9.4892 -4.2930 -4.2930 -4.2930 -4.2930 -1.3591 -1.3591 -1.3591 -1.3591 0.1384 0.1384 0.1384 0.1384 0.2537 0.2537 0.2537 0.2537 1.6587 1.6587 1.6587 1.6587 2.1150 2.1150 2.1150 2.1150 3.3559 3.3559 3.3559 3.3559 4.1108 4.1108 4.1108 4.1108 4.2261 4.2261 4.2261 4.2261 8.8611 8.8611 8.8611 8.8611 9.3808 9.3808 9.3808 9.3808 11.4950 11.4950 k = 0.0000 0.0000 0.5183 ( 4868 PWs) bands (ev): -13.0783 -13.0783 -13.0467 -13.0467 -10.5433 -10.5433 -10.4605 -10.4605 -9.4958 -9.4958 -9.4831 -9.4831 -4.2954 -4.2954 -4.2872 -4.2872 -1.4868 -1.4868 -1.2337 -1.2337 0.1067 0.1067 0.1628 0.1628 0.2180 0.2180 0.2979 0.2979 1.6474 1.6474 1.6642 1.6642 2.1033 2.1033 2.1290 2.1290 3.3456 3.3456 3.3661 3.3661 4.1076 4.1076 4.1136 4.1136 4.2210 4.2210 4.2289 4.2289 8.8263 8.8263 8.8932 8.8932 9.3850 9.3850 9.3877 9.3877 11.4284 11.4284 k = 0.0000 0.0000 0.5010 ( 4866 PWs) bands (ev): -13.0945 -13.0945 -13.0313 -13.0313 -10.5824 -10.5824 -10.4168 -10.4168 -9.5030 -9.5030 -9.4776 -9.4776 -4.2942 -4.2942 -4.2778 -4.2778 -1.6161 -1.6161 -1.1115 -1.1115 0.0727 0.0727 0.1543 0.1543 0.2167 0.2167 0.3454 0.3454 1.6306 1.6306 1.6635 1.6635 2.0938 2.0938 2.1453 2.1453 3.3355 3.3355 3.3762 3.3762 4.1041 4.1041 4.1160 4.1160 4.2138 4.2138 4.2294 4.2294 8.7886 8.7886 8.9229 8.9229 9.4001 9.4001 9.4056 9.4056 11.3577 11.3577 k = 0.0000 0.0000 0.4838 ( 4871 PWs) bands (ev): -13.1109 -13.1109 -13.0164 -13.0164 -10.6199 -10.6199 -10.3717 -10.3717 -9.5106 -9.5106 -9.4727 -9.4727 -4.2895 -4.2895 -4.2651 -4.2651 -1.7464 -1.7464 -0.9938 -0.9938 0.0374 0.0374 0.1240 0.1240 0.2395 0.2395 0.3949 0.3949 1.6088 1.6088 1.6565 1.6565 2.0866 2.0866 2.1637 2.1637 3.3256 3.3256 3.3859 3.3859 4.1004 4.1004 4.1182 4.1182 4.2045 4.2045 4.2275 4.2275 8.7478 8.7478 8.9502 8.9502 9.4259 9.4259 9.4343 9.4343 11.2833 11.2833 k = 0.0000 0.0000 0.4665 ( 4883 PWs) bands (ev): -13.1274 -13.1274 -13.0018 -13.0018 -10.6559 -10.6559 -10.3252 -10.3252 -9.5186 -9.5186 -9.4683 -9.4683 -4.2813 -4.2813 -4.2490 -4.2490 -1.8773 -1.8773 -0.8823 -0.8823 0.0013 0.0013 0.0955 0.0955 0.2634 0.2634 0.4461 0.4461 1.5827 1.5827 1.6433 1.6433 2.0815 2.0815 2.1843 2.1843 3.3162 3.3162 3.3952 3.3952 4.0965 4.0965 4.1200 4.1200 4.1933 4.1933 4.2233 4.2233 8.7038 8.7038 8.9755 8.9755 9.4619 9.4619 9.4737 9.4737 11.2056 11.2056 k = 0.0000 0.0000 0.4492 ( 4879 PWs) bands (ev): -13.1440 -13.1440 -12.9877 -12.9877 -10.6902 -10.6902 -10.2774 -10.2774 -9.5270 -9.5270 -9.4645 -9.4645 -4.2696 -4.2696 -4.2297 -4.2297 -2.0083 -2.0083 -0.7794 -0.7794 -0.0353 -0.0353 0.0741 0.0741 0.2850 0.2850 0.4984 0.4984 1.5531 1.5531 1.6238 1.6238 2.0786 2.0786 2.2070 2.2070 3.3075 3.3075 3.4037 3.4037 4.0925 4.0925 4.1218 4.1218 4.1806 4.1806 4.2169 4.2169 8.6564 8.6564 8.9989 8.9989 9.5076 9.5076 9.5233 9.5233 11.1253 11.1253 k = 0.0000 0.0000 0.4319 ( 4883 PWs) bands (ev): -13.1607 -13.1607 -12.9740 -12.9740 -10.7229 -10.7229 -10.2283 -10.2283 -9.5358 -9.5358 -9.4613 -9.4613 -4.2545 -4.2545 -4.2072 -4.2072 -2.1389 -2.1389 -0.6883 -0.6883 -0.0723 -0.0723 0.0636 0.0636 0.3030 0.3030 0.5517 0.5517 1.5210 1.5210 1.5984 1.5984 2.0777 2.0777 2.2315 2.2315 3.2997 3.2997 3.4113 3.4113 4.0885 4.0885 4.1234 4.1234 4.1665 4.1665 4.2083 4.2083 8.6057 8.6057 9.0206 9.0206 9.5622 9.5622 9.5829 9.5829 11.0427 11.0427 k = 0.0000 0.0000 0.4146 ( 4885 PWs) bands (ev): -13.1773 -13.1773 -12.9609 -12.9609 -10.7541 -10.7541 -10.1782 -10.1782 -9.5449 -9.5449 -9.4586 -9.4586 -4.2361 -4.2361 -4.1818 -4.1818 -2.2689 -2.2689 -0.6133 -0.6133 -0.1095 -0.1095 0.0681 0.0681 0.3166 0.3166 0.6057 0.6057 1.4873 1.4873 1.5672 1.5672 2.0787 2.0787 2.2577 2.2577 3.2929 3.2929 3.4178 3.4178 4.0846 4.0846 4.1250 4.1250 4.1514 4.1514 4.1976 4.1976 8.5515 8.5515 9.0407 9.0407 9.6249 9.6249 9.6520 9.6520 10.9583 10.9583 k = 0.0000 0.0000 0.3974 ( 4893 PWs) bands (ev): -13.1939 -13.1939 -12.9482 -12.9482 -10.7836 -10.7836 -10.1271 -10.1271 -9.5542 -9.5542 -9.4565 -9.4565 -4.2144 -4.2144 -4.1534 -4.1534 -2.3979 -2.3979 -0.5580 -0.5580 -0.1469 -0.1469 0.0911 0.0911 0.3247 0.3247 0.6602 0.6602 1.4533 1.4533 1.5307 1.5307 2.0817 2.0817 2.2854 2.2854 3.2875 3.2875 3.4230 3.4230 4.0809 4.0809 4.1259 4.1259 4.1363 4.1363 4.1851 4.1851 8.4939 8.4939 9.0594 9.0594 9.6944 9.6944 9.7300 9.7300 10.8726 10.8726 k = 0.0000 0.0000 0.3801 ( 4901 PWs) bands (ev): -13.2103 -13.2103 -12.9361 -12.9361 -10.8117 -10.8117 -10.0751 -10.0751 -9.5637 -9.5637 -9.4549 -9.4549 -4.1897 -4.1897 -4.1224 -4.1224 -2.5255 -2.5255 -0.5240 -0.5240 -0.1844 -0.1844 0.1340 0.1340 0.3268 0.3268 0.7150 0.7150 1.4203 1.4203 1.4894 1.4894 2.0864 2.0864 2.3140 2.3140 3.2836 3.2836 3.4265 3.4265 4.0774 4.0774 4.1174 4.1174 4.1306 4.1306 4.1710 4.1710 8.4330 8.4330 9.0769 9.0769 9.7698 9.7698 9.8164 9.8164 10.7860 10.7860 k = 0.0000 0.0000 0.3628 ( 4905 PWs) bands (ev): -13.2265 -13.2265 -12.9245 -12.9245 -10.8381 -10.8381 -10.0224 -10.0224 -9.5733 -9.5733 -9.4538 -9.4538 -4.1620 -4.1620 -4.0888 -4.0888 -2.6515 -2.6515 -0.5090 -0.5090 -0.2218 -0.2218 0.1943 0.1943 0.3219 0.3219 0.7698 0.7698 1.3894 1.3894 1.4437 1.4437 2.0928 2.0928 2.3433 2.3433 3.2817 3.2817 3.4282 3.4282 4.0740 4.0740 4.1019 4.1019 4.1324 4.1324 4.1557 4.1557 8.3689 8.3689 9.0931 9.0931 9.8497 9.8497 9.9105 9.9105 10.6990 10.6990 k = 0.0000 0.0000 0.3455 ( 4903 PWs) bands (ev): -13.2424 -13.2424 -12.9134 -12.9134 -10.8631 -10.8631 -9.9692 -9.9692 -9.5830 -9.5830 -9.4532 -9.4532 -4.1315 -4.1315 -4.0530 -4.0530 -2.7753 -2.7753 -0.5084 -0.5084 -0.2592 -0.2592 0.2665 0.2665 0.3102 0.3102 0.8246 0.8246 1.3617 1.3617 1.3943 1.3943 2.1007 2.1007 2.3726 2.3726 3.2819 3.2819 3.4278 3.4278 4.0703 4.0703 4.0870 4.0870 4.1335 4.1335 4.1408 4.1408 8.3019 8.3019 9.1083 9.1083 9.9325 9.9325 10.0115 10.0115 10.6119 10.6119 k = 0.0000 0.0000 0.3283 ( 4905 PWs) bands (ev): -13.2580 -13.2580 -12.9029 -12.9029 -10.8866 -10.8866 -9.9156 -9.9156 -9.5927 -9.5927 -9.4530 -9.4530 -4.0984 -4.0984 -4.0151 -4.0151 -2.8969 -2.8969 -0.5176 -0.5176 -0.2963 -0.2963 0.2866 0.2866 0.3504 0.3504 0.8791 0.8791 1.3379 1.3379 1.3422 1.3422 2.1100 2.1100 2.4014 2.4014 3.2848 3.2848 3.4251 3.4251 4.0637 4.0637 4.0761 4.0761 4.1204 4.1204 4.1401 4.1401 8.2322 8.2322 9.1225 9.1225 10.0165 10.0165 10.1189 10.1189 10.5252 10.5252 k = 0.0000 0.0000 0.3110 ( 4911 PWs) bands (ev): -13.2732 -13.2732 -12.8930 -12.8930 -10.9087 -10.9087 -9.8619 -9.8619 -9.6023 -9.6023 -9.4531 -9.4531 -4.0629 -4.0629 -3.9753 -3.9753 -3.0157 -3.0157 -0.5329 -0.5329 -0.3333 -0.3333 0.2584 0.2584 0.4350 0.4350 0.9330 0.9330 1.2868 1.2868 1.3196 1.3196 2.1206 2.1206 2.4291 2.4291 3.2904 3.2904 3.4197 3.4197 4.0522 4.0522 4.0716 4.0716 4.1030 4.1030 4.1439 4.1439 8.1602 8.1602 9.1358 9.1358 10.0996 10.0996 10.2317 10.2317 10.4393 10.4393 k = 0.0000 0.0000 0.2937 ( 4907 PWs) bands (ev): -13.2879 -13.2879 -12.8836 -12.8836 -10.9293 -10.9293 -9.8084 -9.8084 -9.6117 -9.6117 -9.4536 -9.4536 -4.0253 -4.0253 -3.9339 -3.9339 -3.1315 -3.1315 -0.5518 -0.5518 -0.3699 -0.3699 0.2218 0.2218 0.5215 0.5215 0.9862 0.9862 1.2301 1.2301 1.3057 1.3057 2.1324 2.1324 2.4549 2.4549 3.2992 3.2992 3.4117 3.4117 4.0401 4.0401 4.0695 4.0695 4.0855 4.0855 4.1485 4.1485 8.0862 8.0862 9.1483 9.1483 10.1794 10.1794 10.3455 10.3455 10.3586 10.3586 k = 0.0000 0.0000 0.2764 ( 4903 PWs) bands (ev): -13.3021 -13.3021 -12.8748 -12.8748 -10.9485 -10.9485 -9.7551 -9.7551 -9.6210 -9.6210 -9.4544 -9.4544 -3.9859 -3.9859 -3.8913 -3.8913 -3.2438 -3.2438 -0.5727 -0.5727 -0.4062 -0.4062 0.1781 0.1781 0.6078 0.6078 1.0384 1.0384 1.1726 1.1726 1.2966 1.2966 2.1451 2.1451 2.4781 2.4781 3.3110 3.3110 3.4008 3.4008 4.0292 4.0292 4.0663 4.0663 4.0705 4.0705 4.1538 4.1538 8.0106 8.0106 9.1602 9.1602 10.2506 10.2506 10.2737 10.2737 10.4715 10.4715 k = 0.0000 0.0000 0.2592 ( 4907 PWs) bands (ev): -13.3158 -13.3158 -12.8666 -12.8666 -10.9664 -10.9664 -9.7026 -9.7026 -9.6300 -9.6300 -9.4554 -9.4554 -3.9450 -3.9450 -3.8478 -3.8478 -3.3524 -3.3524 -0.5944 -0.5944 -0.4421 -0.4421 0.1284 0.1284 0.6924 0.6924 1.0873 1.0873 1.1169 1.1169 1.2917 1.2917 2.1587 2.1587 2.4983 2.4983 3.3258 3.3258 3.3873 3.3873 4.0200 4.0200 4.0520 4.0520 4.0685 4.0685 4.1596 4.1596 7.9340 7.9340 9.1715 9.1715 10.1887 10.1887 10.3194 10.3194 10.5963 10.5963 k = 0.0000 0.0000 0.2419 ( 4909 PWs) bands (ev): -13.3289 -13.3289 -12.8589 -12.8589 -10.9830 -10.9830 -9.6519 -9.6519 -9.6378 -9.6378 -9.4566 -9.4566 -3.9029 -3.9029 -3.8037 -3.8037 -3.4568 -3.4568 -0.6162 -0.6162 -0.4774 -0.4774 0.0739 0.0739 0.7745 0.7745 1.0553 1.0553 1.1411 1.1411 1.2905 1.2905 2.1729 2.1729 2.5149 2.5149 3.3428 3.3428 3.3717 3.3717 4.0126 4.0126 4.0381 4.0381 4.0682 4.0682 4.1658 4.1658 7.8569 7.8569 9.1822 9.1822 10.1098 10.1098 10.3729 10.3729 10.7235 10.7235 k = 0.0000 0.0000 0.2246 ( 4909 PWs) bands (ev): -13.3412 -13.3412 -12.8518 -12.8518 -10.9983 -10.9983 -9.6477 -9.6477 -9.5999 -9.5999 -9.4580 -9.4580 -3.8601 -3.8601 -3.7593 -3.7593 -3.5566 -3.5566 -0.6376 -0.6376 -0.5121 -0.5121 0.0158 0.0158 0.8528 0.8528 0.9999 0.9999 1.1886 1.1886 1.2925 1.2925 2.1876 2.1876 2.5276 2.5276 3.3493 3.3493 3.3663 3.3663 4.0070 4.0070 4.0266 4.0266 4.0685 4.0685 4.1725 4.1725 7.7799 7.7799 9.1925 9.1925 10.0334 10.0334 10.4130 10.4130 10.8524 10.8524 k = 0.0000 0.0000 0.2073 ( 4901 PWs) bands (ev): -13.3529 -13.3529 -12.8453 -12.8453 -11.0123 -11.0123 -9.6556 -9.6556 -9.5513 -9.5513 -9.4593 -9.4593 -3.8170 -3.8170 -3.7153 -3.7153 -3.6513 -3.6513 -0.6582 -0.6582 -0.5461 -0.5461 -0.0444 -0.0444 0.9173 0.9173 0.9560 0.9560 1.2342 1.2342 1.2973 1.2973 2.2026 2.2026 2.5365 2.5365 3.3303 3.3303 3.3854 3.3854 4.0031 4.0031 4.0185 4.0185 4.0689 4.0689 4.1794 4.1794 7.7035 7.7035 9.2026 9.2026 9.9599 9.9599 10.4389 10.4389 10.9821 10.9821 k = 0.0000 0.0000 0.1900 ( 4905 PWs) bands (ev): -13.3638 -13.3638 -12.8393 -12.8393 -11.0251 -11.0251 -9.6631 -9.6631 -9.5047 -9.5047 -9.4605 -9.4605 -3.7743 -3.7743 -3.7407 -3.7407 -3.6716 -3.6716 -0.6779 -0.6779 -0.5791 -0.5791 -0.1056 -0.1056 0.8859 0.8859 1.0062 1.0062 1.2748 1.2748 1.3067 1.3067 2.2177 2.2177 2.5417 2.5417 3.3083 3.3083 3.4059 3.4059 4.0008 4.0008 4.0144 4.0144 4.0696 4.0696 4.1864 4.1864 7.6286 7.6286 9.2125 9.2125 9.8896 9.8896 10.4516 10.4516 11.1117 11.1117 k = 0.0000 0.0000 0.1728 ( 4907 PWs) bands (ev): -13.3739 -13.3739 -12.8338 -12.8338 -11.0366 -11.0366 -9.6701 -9.6701 -9.4668 -9.4668 -9.4553 -9.4553 -3.8249 -3.8249 -3.7313 -3.7313 -3.6293 -3.6293 -0.6965 -0.6965 -0.6108 -0.6108 -0.1664 -0.1664 0.8369 0.8369 1.0726 1.0726 1.2992 1.2992 1.3310 1.3310 2.2328 2.2328 2.5434 2.5434 3.2850 3.2850 3.4254 3.4254 3.9997 3.9997 4.0149 4.0149 4.0705 4.0705 4.1935 4.1935 7.5557 7.5557 9.2223 9.2223 9.8230 9.8230 10.4531 10.4531 11.2403 11.2403 k = 0.0000 0.0000 0.1555 ( 4903 PWs) bands (ev): -13.3832 -13.3832 -12.8289 -12.8289 -11.0470 -11.0470 -9.6766 -9.6766 -9.4650 -9.4650 -9.4166 -9.4166 -3.9022 -3.9022 -3.6902 -3.6902 -3.5886 -3.5886 -0.7138 -0.7138 -0.6411 -0.6411 -0.2258 -0.2258 0.7902 0.7902 1.1354 1.1354 1.3100 1.3100 1.3669 1.3669 2.2476 2.2476 2.5421 2.5421 3.2611 3.2611 3.4428 3.4428 3.9997 3.9997 4.0201 4.0201 4.0714 4.0714 4.2005 4.2005 7.4859 7.4859 9.2323 9.2323 9.7601 9.7601 10.4461 10.4461 11.3670 11.3670 k = 0.0000 0.0000 0.1382 ( 4917 PWs) bands (ev): -13.3916 -13.3916 -12.8246 -12.8246 -11.0563 -11.0563 -9.6825 -9.6825 -9.4662 -9.4662 -9.3779 -9.3779 -3.9730 -3.9730 -3.6510 -3.6510 -3.5501 -3.5501 -0.7300 -0.7300 -0.6694 -0.6694 -0.2825 -0.2825 0.7470 0.7470 1.1933 1.1933 1.3184 1.3184 1.4026 1.4026 2.2619 2.2619 2.5384 2.5384 3.2373 3.2373 3.4572 3.4572 4.0005 4.0005 4.0297 4.0297 4.0724 4.0724 4.2072 4.2072 7.4197 7.4197 9.2426 9.2426 9.7014 9.7014 10.4335 10.4335 11.4906 11.4906 k = 0.0000 0.0000 0.1209 ( 4917 PWs) bands (ev): -13.3991 -13.3991 -12.8207 -12.8207 -11.0644 -11.0644 -9.6879 -9.6879 -9.4676 -9.4676 -9.3425 -9.3425 -4.0366 -4.0366 -3.6141 -3.6141 -3.5143 -3.5143 -0.7450 -0.7450 -0.6952 -0.6952 -0.3355 -0.3355 0.7079 0.7079 1.2456 1.2456 1.3266 1.3266 1.4356 1.4356 2.2755 2.2755 2.5327 2.5327 3.2142 3.2142 3.4685 3.4685 4.0018 4.0018 4.0432 4.0432 4.0735 4.0735 4.2136 4.2136 7.3583 7.3583 9.2533 9.2533 9.6468 9.6468 10.4177 10.4177 11.6098 11.6098 k = 0.0000 0.0000 0.1037 ( 4919 PWs) bands (ev): -13.4056 -13.4056 -12.8174 -12.8174 -11.0713 -11.0713 -9.6925 -9.6925 -9.4688 -9.4688 -9.3108 -9.3108 -4.0928 -4.0928 -3.5804 -3.5804 -3.4818 -3.4818 -0.7591 -0.7591 -0.7178 -0.7178 -0.3838 -0.3838 0.6733 0.6733 1.2908 1.2908 1.3357 1.3357 1.4652 1.4652 2.2881 2.2881 2.5258 2.5258 3.1924 3.1924 3.4766 3.4766 4.0035 4.0035 4.0592 4.0592 4.0746 4.0746 4.2194 4.2194 7.3025 7.3025 9.2648 9.2648 9.5967 9.5967 10.4006 10.4006 11.7232 11.7232 k = 0.0000 0.0000 0.0864 ( 4917 PWs) bands (ev): -13.4112 -13.4112 -12.8146 -12.8146 -11.0772 -11.0772 -9.6965 -9.6965 -9.4699 -9.4699 -9.2833 -9.2833 -4.1410 -4.1410 -3.5505 -3.5505 -3.4532 -3.4532 -0.7725 -0.7725 -0.7366 -0.7366 -0.4264 -0.4264 0.6436 0.6436 1.3226 1.3226 1.3512 1.3512 1.4909 1.4909 2.2995 2.2995 2.5184 2.5184 3.1725 3.1725 3.4820 3.4820 4.0053 4.0053 4.0734 4.0734 4.0787 4.0787 4.2246 4.2246 7.2532 7.2532 9.2772 9.2772 9.5511 9.5511 10.3840 10.3840 11.8287 11.8287 k = 0.0000 0.0000 0.0691 ( 4903 PWs) bands (ev): -13.4157 -13.4157 -12.8123 -12.8123 -11.0820 -11.0820 -9.6998 -9.6998 -9.4709 -9.4709 -9.2603 -9.2603 -4.1810 -4.1810 -3.5249 -3.5249 -3.4289 -3.4289 -0.7852 -0.7852 -0.7511 -0.7511 -0.4626 -0.4626 0.6189 0.6189 1.3357 1.3357 1.3780 1.3780 1.5125 1.5125 2.3093 2.3093 2.5110 2.5110 3.1552 3.1552 3.4854 3.4854 4.0071 4.0071 4.0754 4.0754 4.0943 4.0943 4.2290 4.2290 7.2114 7.2114 9.2906 9.2906 9.5100 9.5100 10.3690 10.3690 11.9238 11.9238 k = 0.0000 0.0000 0.0518 ( 4907 PWs) bands (ev): -13.4193 -13.4193 -12.8105 -12.8105 -11.0857 -11.0857 -9.7024 -9.7024 -9.4716 -9.4716 -9.2421 -9.2421 -4.2125 -4.2125 -3.5044 -3.5044 -3.4095 -3.4095 -0.7965 -0.7965 -0.7615 -0.7615 -0.4915 -0.4915 0.5996 0.5996 1.3417 1.3417 1.4038 1.4038 1.5297 1.5297 2.3173 2.3173 2.5045 2.5045 3.1411 3.1411 3.4873 3.4873 4.0086 4.0086 4.0762 4.0762 4.1092 4.1092 4.2325 4.2325 7.1778 7.1778 9.3050 9.3050 9.4738 9.4738 10.3565 10.3565 12.0051 12.0051 k = 0.0000 0.0000 0.0346 ( 4911 PWs) bands (ev): -13.4219 -13.4219 -12.8092 -12.8092 -11.0884 -11.0884 -9.7043 -9.7043 -9.4722 -9.4722 -9.2289 -9.2289 -4.2351 -4.2351 -3.4893 -3.4893 -3.3953 -3.3953 -0.8054 -0.8054 -0.7684 -0.7684 -0.5127 -0.5127 0.5856 0.5856 1.3453 1.3453 1.4233 1.4233 1.5421 1.5421 2.3232 2.3232 2.4993 2.4993 3.1306 3.1306 3.4883 3.4883 4.0098 4.0098 4.0767 4.0767 4.1209 4.1209 4.2351 4.2351 7.1533 7.1533 9.3202 9.3202 9.4430 9.4430 10.3471 10.3471 12.0686 12.0686 k = 0.0000 0.0000 0.0173 ( 4899 PWs) bands (ev): -13.4234 -13.4234 -12.8085 -12.8085 -11.0899 -11.0899 -9.7054 -9.7054 -9.4725 -9.4725 -9.2209 -9.2209 -4.2488 -4.2488 -3.4801 -3.4801 -3.3866 -3.3866 -0.8111 -0.8111 -0.7723 -0.7723 -0.5255 -0.5255 0.5772 0.5772 1.3474 1.3474 1.4353 1.4353 1.5496 1.5496 2.3269 2.3269 2.4960 2.4960 3.1241 3.1241 3.4887 3.4887 4.0105 4.0105 4.0770 4.0770 4.1284 4.1284 4.2367 4.2367 7.1383 7.1383 9.3341 9.3341 9.4197 9.4197 10.3413 10.3413 12.1094 12.1094 k = 0.0000 0.0000 0.0000 ( 4893 PWs) bands (ev): -13.4240 -13.4240 -12.8082 -12.8082 -11.0905 -11.0905 -9.7058 -9.7058 -9.4726 -9.4726 -9.2182 -9.2182 -4.2534 -4.2534 -3.4770 -3.4770 -3.3837 -3.3837 -0.8130 -0.8130 -0.7736 -0.7736 -0.5299 -0.5299 0.5744 0.5744 1.3481 1.3481 1.4394 1.4394 1.5521 1.5521 2.3281 2.3281 2.4949 2.4949 3.1219 3.1219 3.4888 3.4888 4.0107 4.0107 4.0771 4.0771 4.1309 4.1309 4.2372 4.2372 7.1333 7.1333 9.3407 9.3407 9.4099 9.4099 10.3394 10.3394 12.1236 12.1236 k = 0.0000 0.0000 0.0000 ( 4893 PWs) bands (ev): -13.4240 -13.4240 -12.8082 -12.8082 -11.0905 -11.0905 -9.7058 -9.7058 -9.4726 -9.4726 -9.2182 -9.2182 -4.2534 -4.2534 -3.4770 -3.4770 -3.3837 -3.3837 -0.8130 -0.8130 -0.7736 -0.7736 -0.5299 -0.5299 0.5744 0.5744 1.3481 1.3481 1.4394 1.4394 1.5521 1.5521 2.3281 2.3281 2.4949 2.4949 3.1219 3.1219 3.4888 3.4888 4.0107 4.0107 4.0771 4.0771 4.1309 4.1309 4.2372 4.2372 7.1333 7.1333 9.3407 9.3407 9.4099 9.4099 10.3394 10.3394 12.1236 12.1236 k =-0.0147 0.0091 0.0000 ( 4903 PWs) bands (ev): -13.4233 -13.4233 -12.8083 -12.8082 -11.0920 -11.0919 -9.7059 -9.7057 -9.4731 -9.4724 -9.2186 -9.2175 -4.2544 -4.2540 -3.4758 -3.4748 -3.3821 -3.3816 -0.8167 -0.8094 -0.7755 -0.7689 -0.5318 -0.5297 0.5730 0.5732 1.3411 1.3459 1.4390 1.4421 1.5535 1.5535 2.3288 2.3301 2.4931 2.4955 3.1247 3.1247 3.4884 3.4887 4.0104 4.0105 4.0723 4.0725 4.1312 4.1319 4.2355 4.2357 7.1379 7.1383 9.3419 9.3423 9.4098 9.4127 10.3397 10.3425 12.1169 12.1188 k =-0.0294 0.0181 0.0000 ( 4909 PWs) bands (ev): -13.4212 -13.4212 -12.8085 -12.8083 -11.0964 -11.0962 -9.7060 -9.7056 -9.4737 -9.4724 -9.2185 -9.2163 -4.2569 -4.2562 -3.4712 -3.4693 -3.3768 -3.3759 -0.8202 -0.8070 -0.7735 -0.7616 -0.5355 -0.5314 0.5688 0.5693 1.3253 1.3346 1.4409 1.4469 1.5576 1.5576 2.3321 2.3346 2.4904 2.4951 3.1331 3.1331 3.4877 3.4883 4.0094 4.0095 4.0588 4.0589 4.1327 4.1337 4.2306 4.2310 7.1520 7.1527 9.3454 9.3465 9.4130 9.4184 10.3435 10.3491 12.0989 12.1027 k =-0.0441 0.0272 0.0000 ( 4917 PWs) bands (ev): -13.4178 -13.4178 -12.8088 -12.8084 -11.1037 -11.1034 -9.7061 -9.7054 -9.4745 -9.4726 -9.2180 -9.2147 -4.2609 -4.2599 -3.4633 -3.4605 -3.3678 -3.3664 -0.8238 -0.8074 -0.7660 -0.7515 -0.5410 -0.5349 0.5621 0.5627 1.3011 1.3143 1.4455 1.4541 1.5644 1.5645 2.3377 2.3412 2.4864 2.4934 3.1469 3.1469 3.4865 3.4875 4.0072 4.0074 4.0372 4.0376 4.1354 4.1364 4.2225 4.2231 7.1752 7.1762 9.3502 9.3526 9.4204 9.4276 10.3507 10.3590 12.0698 12.0755 k =-0.0588 0.0362 0.0000 ( 4921 PWs) bands (ev): -13.4131 -13.4130 -12.8091 -12.8087 -11.1138 -11.1134 -9.7062 -9.7053 -9.4755 -9.4729 -9.2172 -9.2128 -4.2662 -4.2649 -3.4522 -3.4487 -3.3553 -3.3534 -0.8279 -0.8103 -0.7533 -0.7382 -0.5482 -0.5400 0.5529 0.5536 1.2690 1.2857 1.4527 1.4636 1.5738 1.5741 2.3450 2.3492 2.4812 2.4905 3.1657 3.1657 3.4848 3.4862 3.9985 3.9986 4.0139 4.0146 4.1390 4.1399 4.2114 4.2122 7.2070 7.2082 9.3552 9.3599 9.4332 9.4411 10.3610 10.3718 12.0300 12.0375 k =-0.0735 0.0453 0.0000 ( 4933 PWs) bands (ev): -13.4070 -13.4069 -12.8095 -12.8090 -11.1267 -11.1261 -9.7063 -9.7053 -9.4765 -9.4734 -9.2160 -9.2106 -4.2727 -4.2711 -3.4382 -3.4339 -3.3392 -3.3369 -0.8328 -0.8150 -0.7360 -0.7213 -0.5570 -0.5468 0.5413 0.5420 1.2301 1.2497 1.4622 1.4752 1.5859 1.5863 2.3536 2.3580 2.4746 2.4860 3.1891 3.1892 3.4827 3.4846 3.9658 3.9666 4.0073 4.0075 4.1435 4.1442 4.1975 4.1985 7.2466 7.2481 9.3598 9.3674 9.4521 9.4597 10.3741 10.3872 11.9804 11.9894 k =-0.0882 0.0543 0.0000 ( 4937 PWs) bands (ev): -13.3995 -13.3995 -12.8100 -12.8094 -11.1421 -11.1416 -9.7064 -9.7052 -9.4776 -9.4739 -9.2146 -9.2082 -4.2801 -4.2783 -3.4215 -3.4165 -3.3197 -3.3169 -0.8386 -0.8209 -0.7148 -0.7008 -0.5673 -0.5550 0.5275 0.5281 1.1853 1.2074 1.4740 1.4889 1.6004 1.6011 2.3628 2.3670 2.4665 2.4798 3.2165 3.2167 3.4801 3.4824 3.9230 3.9242 4.0044 4.0045 4.1489 4.1493 4.1810 4.1822 7.2934 7.2951 9.3639 9.3747 9.4771 9.4840 10.3897 10.4049 11.9221 11.9321 k =-0.1029 0.0634 0.0000 ( 4939 PWs) bands (ev): -13.3908 -13.3908 -12.8105 -12.8098 -11.1602 -11.1595 -9.7066 -9.7052 -9.4786 -9.4745 -9.2129 -9.2057 -4.2882 -4.2862 -3.4023 -3.3967 -3.2968 -3.2936 -0.8452 -0.8278 -0.6902 -0.6767 -0.5789 -0.5644 0.5115 0.5119 1.1354 1.1597 1.4878 1.5045 1.6174 1.6182 2.3722 2.3758 2.4567 2.4715 3.2473 3.2475 3.4769 3.4798 3.8749 3.8762 4.0019 4.0020 4.1544 4.1552 4.1623 4.1645 7.3464 7.3483 9.3679 9.3816 9.5078 9.5139 10.4073 10.4243 11.8564 11.8668 k =-0.1176 0.0725 0.0000 ( 4923 PWs) bands (ev): -13.3808 -13.3807 -12.8111 -12.8103 -11.1806 -11.1798 -9.7068 -9.7053 -9.4795 -9.4749 -9.2112 -9.2032 -4.2968 -4.2947 -3.3809 -3.3747 -3.2707 -3.2670 -0.8527 -0.8355 -0.6625 -0.6490 -0.5916 -0.5745 0.4935 0.4937 1.0813 1.1076 1.5033 1.5218 1.6366 1.6377 2.3815 2.3836 2.4453 2.4611 3.2805 3.2808 3.4728 3.4766 3.8229 3.8241 3.9995 3.9996 4.1416 4.1420 4.1625 4.1634 7.4048 7.4069 9.3721 9.3885 9.5438 9.5490 10.4265 10.4451 11.7847 11.7948 k =-0.1324 0.0815 0.0000 ( 4927 PWs) bands (ev): -13.3695 -13.3695 -12.8118 -12.8109 -11.2032 -11.2024 -9.7071 -9.7055 -9.4803 -9.4753 -9.2095 -9.2007 -4.3057 -4.3035 -3.3575 -3.3508 -3.2415 -3.2374 -0.8609 -0.8438 -0.6338 -0.6191 -0.6042 -0.5834 0.4736 0.4736 1.0238 1.0518 1.5203 1.5404 1.6579 1.6592 2.3894 2.3905 2.4331 2.4481 3.3152 3.3156 3.4676 3.4724 3.7685 3.7694 3.9972 3.9974 4.1197 4.1203 4.1706 4.1710 7.4677 7.4699 9.3767 9.3956 9.5847 9.5890 10.4467 10.4666 11.7082 11.7177 k =-0.1471 0.0906 0.0000 ( 4925 PWs) bands (ev): -13.3571 -13.3570 -12.8125 -12.8116 -11.2280 -11.2272 -9.7074 -9.7057 -9.4808 -9.4755 -9.2078 -9.1984 -4.3147 -4.3125 -3.3324 -3.3253 -3.2094 -3.2049 -0.8696 -0.8526 -0.6216 -0.6162 -0.5821 -0.5790 0.4516 0.4520 0.9636 0.9931 1.5386 1.5603 1.6811 1.6826 2.3894 2.3991 2.4235 2.4324 3.3503 3.3508 3.4606 3.4668 3.7134 3.7135 3.9948 3.9951 4.0973 4.0979 4.1796 4.1798 7.5343 7.5367 9.3822 9.4031 9.6301 9.6336 10.4673 10.4883 11.6282 11.6367 k =-0.1618 0.0996 0.0000 ( 4925 PWs) bands (ev): -13.3434 -13.3434 -12.8133 -12.8123 -11.2547 -11.2538 -9.7078 -9.7060 -9.4811 -9.4754 -9.2063 -9.1962 -4.3236 -4.3214 -3.3058 -3.2983 -3.1746 -3.1696 -0.8787 -0.8617 -0.6368 -0.6225 -0.5484 -0.5447 0.4281 0.4288 0.9011 0.9321 1.5579 1.5812 1.7060 1.7077 2.3780 2.4073 2.4137 2.4220 3.3847 3.3851 3.4505 3.4587 3.6585 3.6598 3.9914 3.9920 4.0764 4.0767 4.1894 4.1894 7.6040 7.6064 9.3886 9.4113 9.6796 9.6822 10.4879 10.5098 11.5458 11.5531 k =-0.1765 0.1087 0.0000 ( 4927 PWs) bands (ev): -13.3287 -13.3286 -12.8141 -12.8130 -11.2831 -11.2822 -9.7083 -9.7065 -9.4811 -9.4750 -9.2050 -9.1944 -4.3324 -4.3302 -3.2779 -3.2702 -3.1372 -3.1318 -0.8881 -0.8710 -0.6528 -0.6354 -0.5089 -0.5040 0.4030 0.4041 0.8370 0.8692 1.5778 1.6027 1.7325 1.7344 2.3577 2.3919 2.4152 2.4261 3.4167 3.4168 3.4357 3.4462 3.6075 3.6109 3.9846 3.9855 4.0602 4.0602 4.1999 4.2000 7.6758 7.6783 9.3959 9.4203 9.7329 9.7346 10.5081 10.5305 11.4620 11.4681 k =-0.1912 0.1177 0.0000 ( 4927 PWs) bands (ev): -13.3129 -13.3128 -12.8150 -12.8139 -11.3131 -11.3122 -9.7089 -9.7070 -9.4807 -9.4744 -9.2039 -9.1929 -4.3408 -4.3386 -3.2490 -3.2411 -3.0975 -3.0918 -0.8977 -0.8804 -0.6692 -0.6498 -0.4655 -0.4605 0.3765 0.3780 0.7718 0.8051 1.5982 1.6246 1.7601 1.7622 2.3323 2.3672 2.4230 2.4320 3.4096 3.4224 3.4476 3.4476 3.5654 3.5708 3.9711 3.9722 4.0529 4.0533 4.2111 4.2114 7.7494 7.7519 9.4044 9.4301 9.7896 9.7903 10.5272 10.5500 11.3777 11.3825 k =-0.2059 0.1268 0.0000 ( 4919 PWs) bands (ev): -13.2960 -13.2960 -12.8158 -12.8147 -11.3444 -11.3435 -9.7096 -9.7077 -9.4798 -9.4733 -9.2032 -9.1918 -4.3488 -4.3467 -3.2193 -3.2112 -3.0557 -3.0496 -0.9072 -0.8897 -0.6858 -0.6648 -0.4192 -0.4144 0.3487 0.3506 0.7057 0.7400 1.6186 1.6467 1.7887 1.7911 2.3033 2.3394 2.4308 2.4387 3.3742 3.3887 3.4715 3.4719 3.5365 3.5425 3.9505 3.9516 4.0565 4.0569 4.2230 4.2234 7.8240 7.8266 9.4141 9.4409 9.8489 9.8493 10.5451 10.5679 11.2937 11.2972 k =-0.2206 0.1358 0.0000 ( 4919 PWs) bands (ev): -13.2783 -13.2782 -12.8167 -12.8156 -11.3769 -11.3760 -9.7104 -9.7085 -9.4786 -9.4719 -9.2029 -9.1911 -4.3563 -4.3543 -3.1890 -3.1809 -3.0121 -3.0056 -0.9166 -0.8988 -0.7022 -0.6800 -0.3705 -0.3661 0.3198 0.3220 0.6392 0.6743 1.6386 1.6684 1.8180 1.8206 2.2714 2.3090 2.4388 2.4459 3.3292 3.3436 3.4899 3.4909 3.5198 3.5245 3.9257 3.9266 4.0686 4.0690 4.2355 4.2359 7.8991 7.9018 9.4249 9.4527 9.9099 9.9115 10.5614 10.5841 11.2105 11.2130 k =-0.2353 0.1449 0.0000 ( 4911 PWs) bands (ev): -13.2597 -13.2596 -12.8176 -12.8165 -11.4103 -11.4094 -9.7112 -9.7093 -9.4770 -9.4700 -9.2030 -9.1909 -4.3633 -4.3613 -3.1583 -3.1502 -2.9670 -2.9601 -0.9256 -0.9075 -0.7183 -0.6951 -0.3197 -0.3157 0.2899 0.2923 0.5727 0.6085 1.6579 1.6894 1.8476 1.8504 2.2372 2.2764 2.4472 2.4539 3.2788 3.2925 3.4998 3.5037 3.5129 3.5136 3.8989 3.8996 4.0876 4.0879 4.2485 4.2489 7.9743 7.9770 9.4369 9.4655 9.9725 9.9756 10.5761 10.5984 11.1288 11.1304 k =-0.2500 0.1540 0.0000 ( 4907 PWs) bands (ev): -13.2403 -13.2402 -12.8185 -12.8174 -11.4445 -11.4436 -9.7122 -9.7103 -9.4748 -9.4677 -9.2035 -9.1913 -4.3696 -4.3678 -3.1274 -3.1193 -2.9206 -2.9134 -0.9341 -0.9158 -0.7339 -0.7098 -0.2672 -0.2636 0.2591 0.2616 0.5065 0.5428 1.6757 1.7090 1.8771 1.8802 2.2014 2.2423 2.4564 2.4626 3.2260 3.2390 3.4989 3.5057 3.5111 3.5144 3.8714 3.8719 4.1121 4.1123 4.2618 4.2623 8.0490 8.0518 9.4502 9.4794 10.0360 10.0407 10.5894 10.6109 11.0491 11.0501 k =-0.2647 0.1630 0.0000 ( 4919 PWs) bands (ev): -13.2203 -13.2202 -12.8195 -12.8183 -11.4791 -11.4783 -9.7132 -9.7113 -9.4723 -9.4650 -9.2045 -9.1921 -4.3754 -4.3736 -3.0966 -3.0886 -2.8732 -2.8658 -0.9420 -0.9234 -0.7488 -0.7240 -0.2132 -0.2102 0.2274 0.2299 0.4408 0.4776 1.6915 1.7265 1.9062 1.9096 2.1653 2.2076 2.4665 2.4724 3.1728 3.1852 3.4956 3.5010 3.5114 3.5144 3.8440 3.8443 4.1411 4.1412 4.2754 4.2759 8.1230 8.1257 9.4646 9.4943 10.0991 10.1059 10.6021 10.6222 10.9718 10.9725 k =-0.2794 0.1721 0.0000 ( 4917 PWs) bands (ev): -13.1997 -13.1996 -12.8204 -12.8192 -11.5141 -11.5133 -9.7142 -9.7124 -9.4693 -9.4619 -9.2059 -9.1935 -4.3805 -4.3788 -3.0660 -3.0582 -2.8253 -2.8176 -0.9491 -0.9303 -0.7628 -0.7374 -0.1582 -0.1559 0.1953 0.1974 0.3762 0.4130 1.7043 1.7408 1.9345 1.9382 2.1302 2.1737 2.4778 2.4835 3.1200 3.1319 3.4926 3.4975 3.5064 3.5098 3.8171 3.8172 4.1735 4.1736 4.2891 4.2896 8.1957 8.1985 9.4802 9.5104 10.1602 10.1695 10.6153 10.6334 10.8975 10.8980 k =-0.2941 0.1811 0.0000 ( 4917 PWs) bands (ev): -13.1787 -13.1787 -12.8212 -12.8201 -11.5490 -11.5482 -9.7153 -9.7135 -9.4659 -9.4584 -9.2078 -9.1955 -4.3849 -4.3833 -3.0359 -3.0283 -2.7772 -2.7693 -0.9553 -0.9363 -0.7756 -0.7499 -0.1026 -0.1012 0.1629 0.1643 0.3129 0.3496 1.7131 1.7504 1.9614 1.9657 2.0982 2.1419 2.4907 2.4962 3.0682 3.0797 3.4891 3.4947 3.4969 3.5017 3.7908 3.7909 4.2082 4.2083 4.3027 4.3033 8.2668 8.2696 9.4970 9.5274 10.2167 10.2291 10.6311 10.6461 10.8264 10.8274 k =-0.3088 0.1902 0.0000 ( 4909 PWs) bands (ev): -13.1575 -13.1575 -12.8221 -12.8210 -11.5837 -11.5830 -9.7163 -9.7147 -9.4620 -9.4545 -9.2102 -9.1979 -4.3888 -4.3873 -3.0064 -2.9991 -2.7292 -2.7212 -0.9605 -0.9413 -0.7871 -0.7612 -0.0474 -0.0471 0.1309 0.1312 0.2513 0.2874 1.7167 1.7535 1.9865 1.9915 2.0719 2.1140 2.5051 2.5105 3.0177 3.0288 3.4810 3.4827 3.4932 3.4947 3.7655 3.7657 4.2443 4.2444 4.3163 4.3168 8.3360 8.3388 9.5149 9.5454 10.2656 10.2816 10.6523 10.6623 10.7591 10.7622 k =-0.3235 0.1992 0.0000 ( 4905 PWs) bands (ev): -13.1362 -13.1362 -12.8229 -12.8219 -11.6179 -11.6172 -9.7174 -9.7159 -9.4579 -9.4503 -9.2129 -9.2008 -4.3921 -4.3907 -2.9779 -2.9709 -2.6819 -2.6739 -0.9645 -0.9453 -0.7972 -0.7713 0.0022 0.0064 0.0983 0.1032 0.1922 0.2270 1.7140 1.7485 2.0086 2.0155 2.0540 2.0917 2.5215 2.5266 2.9687 2.9795 3.4658 3.4660 3.4917 3.4918 3.7413 3.7416 4.2807 4.2808 4.3295 4.3300 8.4028 8.4055 9.5339 9.5644 10.3032 10.3230 10.6711 10.6768 10.7014 10.7170 k =-0.3382 0.2083 0.0000 ( 4909 PWs) bands (ev): -13.1151 -13.1150 -12.8237 -12.8227 -11.6513 -11.6506 -9.7185 -9.7170 -9.4534 -9.4459 -9.2160 -9.2042 -4.3948 -4.3935 -2.9505 -2.9439 -2.6357 -2.6277 -0.9673 -0.9481 -0.8056 -0.7800 0.0284 0.0423 0.0798 0.0980 0.1381 0.1685 1.7044 1.7347 2.0243 2.0372 2.0490 2.0760 2.5396 2.5446 2.9214 2.9317 3.4465 3.4473 3.4904 3.4906 3.7183 3.7187 4.3166 4.3167 4.3425 4.3429 8.4668 8.4696 9.5539 9.5842 10.3272 10.3502 10.6281 10.6325 10.7280 10.7399 k =-0.3529 0.2174 0.0000 ( 4909 PWs) bands (ev): -13.0942 -13.0942 -12.8244 -12.8235 -11.6835 -11.6829 -9.7196 -9.7182 -9.4487 -9.4412 -9.2194 -9.2079 -4.3971 -4.3959 -2.9244 -2.9183 -2.5910 -2.5831 -0.9687 -0.9498 -0.8124 -0.7873 0.0112 0.0198 0.0725 0.1122 0.1327 0.1354 1.6883 1.7132 2.0304 2.0563 2.0595 2.0675 2.5596 2.5643 2.8760 2.8859 3.4253 3.4264 3.4895 3.4897 3.6966 3.6970 4.3495 4.3499 4.3566 4.3568 8.5277 8.5304 9.5748 9.6047 10.3381 10.3629 10.5753 10.5775 10.7807 10.7892 k =-0.3676 0.2264 0.0000 ( 4905 PWs) bands (ev): -13.0740 -13.0740 -12.8251 -12.8243 -11.7143 -11.7137 -9.7205 -9.7193 -9.4437 -9.4365 -9.2229 -9.2119 -4.3989 -4.3978 -2.8999 -2.8943 -2.5484 -2.5407 -0.9688 -0.9504 -0.8175 -0.7932 -0.0183 -0.0140 0.0255 0.0589 0.1802 0.1838 1.6668 1.6862 2.0359 2.0634 2.0744 2.0746 2.5811 2.5856 2.8327 2.8421 3.4030 3.4043 3.4888 3.4890 3.6764 3.6768 4.3649 4.3655 4.3857 4.3862 8.5850 8.5877 9.5964 9.6256 10.3380 10.3632 10.5256 10.5264 10.8430 10.8504 k =-0.3824 0.2355 0.0000 ( 4907 PWs) bands (ev): -13.0547 -13.0546 -12.8257 -12.8250 -11.7433 -11.7428 -9.7215 -9.7204 -9.4387 -9.4318 -9.2266 -9.2162 -4.4003 -4.3993 -2.8773 -2.8722 -2.5083 -2.5010 -0.9677 -0.9498 -0.8208 -0.7976 -0.0494 -0.0492 -0.0197 0.0086 0.2295 0.2323 1.6419 1.6563 2.0441 2.0655 2.0884 2.0889 2.6037 2.6079 2.7919 2.8007 3.3802 3.3815 3.4883 3.4884 3.6577 3.6582 4.3758 4.3763 4.4165 4.4169 8.6384 8.6409 9.6185 9.6468 10.3299 10.3544 10.4799 10.4803 10.9118 10.9191 k =-0.3971 0.2445 0.0000 ( 4911 PWs) bands (ev): -13.0365 -13.0365 -12.8263 -12.8256 -11.7702 -11.7697 -9.7223 -9.7213 -9.4338 -9.4272 -9.2302 -9.2206 -4.4014 -4.4005 -2.8566 -2.8521 -2.4713 -2.4645 -0.9653 -0.9484 -0.8225 -0.8008 -0.0851 -0.0799 -0.0597 -0.0381 0.2764 0.2787 1.6153 1.6257 2.0543 2.0706 2.1005 2.1012 2.6269 2.6308 2.7539 2.7620 3.3573 3.3586 3.4880 3.4880 3.6408 3.6412 4.3855 4.3859 4.4448 4.4452 8.6872 8.6895 9.6409 9.6679 10.3165 10.3395 10.4381 10.4398 10.9846 10.9926 k =-0.4118 0.2536 0.0000 ( 4917 PWs) bands (ev): -13.0198 -13.0198 -12.8268 -12.8262 -11.7945 -11.7941 -9.7231 -9.7222 -9.4289 -9.4228 -9.2337 -9.2249 -4.4022 -4.4014 -2.8382 -2.8343 -2.4379 -2.4317 -0.9619 -0.9463 -0.8227 -0.8028 -0.1204 -0.1089 -0.0940 -0.0806 0.3198 0.3216 1.5889 1.5962 2.0654 2.0777 2.1106 2.1114 2.6499 2.6534 2.7194 2.7267 3.3350 3.3363 3.4876 3.4877 3.6257 3.6260 4.3941 4.3944 4.4701 4.4705 8.7310 8.7331 9.6631 9.6883 10.3001 10.3209 10.4015 10.4041 11.0594 11.0687 k =-0.4265 0.2626 0.0000 ( 4921 PWs) bands (ev): -13.0049 -13.0049 -12.8272 -12.8267 -11.8159 -11.8156 -9.7238 -9.7230 -9.4243 -9.4189 -9.2368 -9.2292 -4.4027 -4.4021 -2.8222 -2.8189 -2.4086 -2.4031 -0.9577 -0.9437 -0.8215 -0.8039 -0.1527 -0.1357 -0.1235 -0.1182 0.3587 0.3601 1.5640 1.5689 2.0765 2.0855 2.1189 2.1196 2.6711 2.6734 2.6904 2.6961 3.3140 3.3152 3.4874 3.4874 3.6126 3.6129 4.4015 4.4018 4.4920 4.4924 8.7693 8.7712 9.6846 9.7075 10.2825 10.3007 10.3701 10.3734 11.1346 11.1459 k =-0.4412 0.2717 0.0000 ( 4913 PWs) bands (ev): -12.9921 -12.9921 -12.8275 -12.8271 -11.8340 -11.8338 -9.7243 -9.7237 -9.4201 -9.4155 -9.2396 -9.2331 -4.4031 -4.4026 -2.8088 -2.8061 -2.3837 -2.3792 -0.9530 -0.9411 -0.8194 -0.8046 -0.1802 -0.1605 -0.1493 -0.1486 0.3922 0.3933 1.5418 1.5451 2.0868 2.0932 2.1255 2.1260 2.6604 2.6655 2.6948 2.6970 3.2951 3.2961 3.4872 3.4872 3.6016 3.6019 4.4077 4.4079 4.5104 4.5107 8.8016 8.8032 9.7048 9.7246 10.2654 10.2808 10.3442 10.3477 11.2077 11.2229 k =-0.4559 0.2808 0.0000 ( 4909 PWs) bands (ev): -12.9818 -12.9818 -12.8278 -12.8275 -11.8486 -11.8484 -9.7247 -9.7243 -9.4165 -9.4128 -9.2416 -9.2366 -4.4034 -4.4030 -2.7982 -2.7961 -2.3638 -2.3603 -0.9483 -0.9389 -0.8167 -0.8050 -0.2018 -0.1839 -0.1719 -0.1691 0.4194 0.4202 1.5235 1.5256 2.0957 2.1001 2.1305 2.1308 2.6396 2.6438 2.7117 2.7136 3.2790 3.2798 3.4870 3.4871 3.5930 3.5932 4.4125 4.4127 4.5249 4.5251 8.8274 8.8287 9.7228 9.7388 10.2505 10.2627 10.3239 10.3271 11.2655 11.2900 k =-0.4706 0.2898 0.0000 ( 4922 PWs) bands (ev): -12.9742 -12.9742 -12.8279 -12.8277 -11.8592 -11.8590 -9.7250 -9.7247 -9.4135 -9.4110 -9.2430 -9.2395 -4.4035 -4.4032 -2.7904 -2.7890 -2.3492 -2.3467 -0.9440 -0.9375 -0.8137 -0.8057 -0.2167 -0.2039 -0.1869 -0.1845 0.4396 0.4400 1.5098 1.5110 2.1027 2.1054 2.1339 2.1341 2.6242 2.6271 2.7252 2.7266 3.2666 3.2673 3.4869 3.4870 3.5867 3.5868 4.4161 4.4162 4.5353 4.5355 8.8463 8.8471 9.7376 9.7489 10.2393 10.2479 10.3095 10.3119 11.2719 11.2756 k =-0.4853 0.2989 0.0000 ( 4926 PWs) bands (ev): -12.9696 -12.9696 -12.8280 -12.8279 -11.8656 -11.8656 -9.7251 -9.7250 -9.4114 -9.4101 -9.2435 -9.2417 -4.4035 -4.4034 -2.7855 -2.7848 -2.3400 -2.3388 -0.9405 -0.9372 -0.8109 -0.8068 -0.2245 -0.2178 -0.1955 -0.1942 0.4520 0.4522 1.5014 1.5019 2.1073 2.1086 2.1360 2.1361 2.6149 2.6164 2.7341 2.7348 3.2589 3.2592 3.4869 3.4869 3.5829 3.5830 4.4182 4.4183 4.5417 4.5418 8.8578 8.8582 9.7483 9.7541 10.2330 10.2374 10.3010 10.3023 11.2658 11.2666 k =-0.5000 0.3079 0.0000 ( 4924 PWs) bands (ev): -12.9680 -12.9680 -12.8280 -12.8280 -11.8678 -11.8678 -9.7251 -9.7251 -9.4103 -9.4103 -9.2430 -9.2430 -4.4035 -4.4035 -2.7837 -2.7837 -2.3365 -2.3365 -0.9382 -0.9382 -0.8085 -0.8085 -0.2248 -0.2248 -0.1980 -0.1980 0.4562 0.4562 1.4987 1.4987 2.1093 2.1093 2.1367 2.1367 2.6123 2.6123 2.7373 2.7373 3.2564 3.2564 3.4869 3.4869 3.5817 3.5817 4.4189 4.4189 4.5439 4.5439 8.8618 8.8618 9.7539 9.7539 10.2323 10.2323 10.2986 10.2986 11.2634 11.2634 k =-0.5000 0.3079 0.0000 ( 4924 PWs) bands (ev): -12.9680 -12.9680 -12.8280 -12.8280 -11.8678 -11.8678 -9.7251 -9.7251 -9.4103 -9.4103 -9.2430 -9.2430 -4.4035 -4.4035 -2.7837 -2.7837 -2.3365 -2.3365 -0.9382 -0.9382 -0.8085 -0.8085 -0.2248 -0.2248 -0.1980 -0.1980 0.4562 0.4562 1.4987 1.4987 2.1093 2.1093 2.1367 2.1367 2.6123 2.6123 2.7373 2.7373 3.2564 3.2564 3.4869 3.4869 3.5817 3.5817 4.4189 4.4189 4.5439 4.5439 8.8618 8.8618 9.7539 9.7539 10.2323 10.2323 10.2986 10.2986 11.2634 11.2634 k =-0.4914 0.3219-0.0000 ( 4928 PWs) bands (ev): -12.9682 -12.9681 -12.8282 -12.8282 -11.8670 -11.8668 -9.7325 -9.7278 -9.4092 -9.4033 -9.2431 -9.2421 -4.4032 -4.4030 -2.7908 -2.7902 -2.3286 -2.3265 -0.9636 -0.9284 -0.8171 -0.7829 -0.2367 -0.2305 -0.1964 -0.1963 0.4600 0.4628 1.4994 1.5000 2.1075 2.1075 2.1368 2.1378 2.6100 2.6116 2.7350 2.7377 3.2568 3.2581 3.4818 3.4834 3.5864 3.5880 4.4168 4.4170 4.5439 4.5449 8.8635 8.8636 9.7513 9.7534 10.2315 10.2335 10.2971 10.2999 11.2599 11.2617 k =-0.4828 0.3359-0.0000 ( 4928 PWs) bands (ev): -12.9685 -12.9683 -12.8287 -12.8287 -11.8644 -11.8642 -9.7488 -9.7403 -9.4003 -9.3894 -9.2423 -9.2404 -4.4022 -4.4018 -2.8100 -2.8091 -2.3040 -2.3000 -0.9946 -0.9410 -0.8019 -0.7502 -0.2603 -0.2497 -0.1966 -0.1948 0.4736 0.4789 1.5022 1.5032 2.1020 2.1020 2.1382 2.1401 2.6048 2.6079 2.7307 2.7360 3.2595 3.2619 3.4707 3.4733 3.6004 3.6030 4.4108 4.4112 4.5448 4.5467 8.8685 8.8686 9.7456 9.7498 10.2312 10.2350 10.2953 10.3007 11.2512 11.2546 k =-0.4741 0.3499-0.0000 ( 4936 PWs) bands (ev): -12.9689 -12.9688 -12.8296 -12.8295 -11.8601 -11.8597 -9.7722 -9.7609 -9.3853 -9.3705 -9.2406 -9.2377 -4.4005 -4.3999 -2.8379 -2.8370 -2.2662 -2.2606 -1.0270 -0.9662 -0.7726 -0.7145 -0.2919 -0.2775 -0.2007 -0.1973 0.4959 0.5032 1.5068 1.5084 2.0928 2.0929 2.1409 2.1437 2.5969 2.6014 2.7245 2.7324 3.2642 3.2676 3.4569 3.4601 3.6201 3.6232 4.4016 4.4020 4.5462 4.5487 8.8768 8.8771 9.7368 9.7430 10.2313 10.2369 10.2932 10.3012 11.2380 11.2424 k =-0.4655 0.3639-0.0000 ( 4936 PWs) bands (ev): -12.9696 -12.9694 -12.8307 -12.8307 -11.8540 -11.8536 -9.8008 -9.7877 -9.3662 -9.3484 -9.2380 -9.2343 -4.3980 -4.3973 -2.8713 -2.8705 -2.2185 -2.2115 -1.0593 -0.9953 -0.7379 -0.6775 -0.3298 -0.3121 -0.2089 -0.2040 0.5250 0.5337 1.5135 1.5156 2.0800 2.0803 2.1449 2.1486 2.5866 2.5924 2.7163 2.7267 3.2707 3.2749 3.4423 3.4459 3.6432 3.6467 4.3898 4.3900 4.5474 4.5505 8.8886 8.8889 9.7251 9.7331 10.2321 10.2395 10.2908 10.3012 11.2206 11.2255 k =-0.4569 0.3779-0.0000 ( 4932 PWs) bands (ev): -12.9706 -12.9703 -12.8322 -12.8321 -11.8462 -11.8457 -9.8330 -9.8188 -9.3446 -9.3246 -9.2347 -9.2300 -4.3948 -4.3939 -2.9078 -2.9073 -2.1636 -2.1553 -1.0906 -1.0251 -0.7009 -0.6397 -0.3725 -0.3518 -0.2207 -0.2145 0.5593 0.5689 1.5220 1.5247 2.0636 2.0641 2.1501 2.1547 2.5743 2.5813 2.7061 2.7189 3.2787 3.2834 3.4279 3.4320 3.6688 3.6724 4.3759 4.3760 4.5479 4.5515 8.9036 8.9040 9.7106 9.7203 10.2338 10.2429 10.2878 10.3007 11.1994 11.2045 k =-0.4483 0.3919-0.0000 ( 4932 PWs) bands (ev): -12.9718 -12.9715 -12.8339 -12.8338 -11.8367 -11.8360 -9.8678 -9.8531 -9.3218 -9.3001 -9.2304 -9.2248 -4.3910 -4.3899 -2.9457 -2.9456 -2.1034 -2.0938 -1.1204 -1.0541 -0.6629 -0.6017 -0.4187 -0.3954 -0.2360 -0.2285 0.5970 0.6071 1.5325 1.5357 2.0440 2.0446 2.1565 2.1619 2.5605 2.5685 2.6939 2.7091 3.2877 3.2925 3.4142 3.4189 3.6961 3.6998 4.3602 4.3606 4.5474 4.5512 8.9221 8.9226 9.6934 9.7046 10.2364 10.2476 10.2843 10.2997 11.1749 11.1797 k =-0.4397 0.4059-0.0000 ( 4932 PWs) bands (ev): -12.9733 -12.9729 -12.8358 -12.8357 -11.8254 -11.8246 -9.9045 -9.8896 -9.2987 -9.2757 -9.2254 -9.2189 -4.3864 -4.3852 -2.9845 -2.9842 -2.0391 -2.0282 -1.1483 -1.0816 -0.6247 -0.5644 -0.4666 -0.4416 -0.2544 -0.2458 0.6367 0.6470 1.5448 1.5486 2.0211 2.0219 2.1639 2.1702 2.5455 2.5545 2.6798 2.6971 3.2971 3.3016 3.4016 3.4073 3.7248 3.7285 4.3432 4.3441 4.5456 4.5495 8.9438 8.9444 9.6736 9.6861 10.2400 10.2538 10.2799 10.2985 11.1472 11.1516 k =-0.4310 0.4199-0.0000 ( 4930 PWs) bands (ev): -12.9752 -12.9747 -12.8378 -12.8377 -11.8125 -11.8115 -9.9425 -9.9276 -9.2760 -9.2519 -9.2196 -9.2122 -4.3813 -4.3799 -3.0233 -3.0225 -1.9717 -1.9595 -1.1738 -1.1071 -0.5874 -0.5375 -0.5058 -0.4886 -0.2759 -0.2661 0.6775 0.6878 1.5590 1.5634 1.9954 1.9963 2.1722 2.1794 2.5299 2.5397 2.6635 2.6830 3.3062 3.3097 3.3909 3.3980 3.7546 3.7584 4.3255 4.3268 4.5421 4.5462 8.9689 8.9696 9.6513 9.6651 10.2441 10.2618 10.2747 10.2978 11.1168 11.1204 k =-0.4224 0.4339-0.0000 ( 4934 PWs) bands (ev): -12.9775 -12.9770 -12.8400 -12.8399 -11.7978 -11.7967 -9.9815 -9.9667 -9.2540 -9.2290 -9.2129 -9.2046 -4.3755 -4.3740 -3.0616 -3.0604 -1.9020 -1.8883 -1.1965 -1.1301 -0.5751 -0.5627 -0.5243 -0.4816 -0.3004 -0.2894 0.7182 0.7284 1.5749 1.5799 1.9669 1.9679 2.1813 2.1893 2.5141 2.5246 2.6453 2.6667 3.3134 3.3153 3.3830 3.3922 3.7853 3.7891 4.3072 4.3090 4.5370 4.5411 8.9972 8.9981 9.6267 9.6415 10.2474 10.2671 10.2734 10.2990 11.0837 11.0866 k =-0.4138 0.4479-0.0000 ( 4922 PWs) bands (ev): -12.9803 -12.9797 -12.8422 -12.8420 -11.7814 -11.7802 -10.0211 -10.0065 -9.2332 -9.2077 -9.2053 -9.1960 -4.3692 -4.3675 -3.0994 -3.0977 -1.8309 -1.8154 -1.2156 -1.1500 -0.6264 -0.5974 -0.5013 -0.4444 -0.3278 -0.3153 0.7582 0.7683 1.5924 1.5981 1.9362 1.9371 2.1909 2.1997 2.4986 2.5097 2.6250 2.6482 3.3170 3.3170 3.3799 3.3913 3.8166 3.8203 4.2886 4.2909 4.5303 4.5342 9.0288 9.0298 9.6000 9.6156 10.2480 10.2598 10.2861 10.3042 11.0483 11.0503 k =-0.4052 0.4619-0.0000 ( 4914 PWs) bands (ev): -12.9835 -12.9829 -12.8444 -12.8442 -11.7633 -11.7620 -10.0610 -10.0468 -9.2141 -9.1966 -9.1906 -9.1837 -4.3624 -4.3606 -3.1364 -3.1343 -1.7593 -1.7415 -1.2304 -1.1661 -0.6788 -0.6465 -0.4648 -0.4065 -0.3577 -0.3436 0.7967 0.8067 1.6115 1.6180 1.9036 1.9043 2.2009 2.2104 2.4840 2.4954 2.6026 2.6275 3.3143 3.3155 3.3826 3.3953 3.8483 3.8520 4.2700 4.2727 4.5219 4.5256 9.0636 9.0647 9.5712 9.5874 10.2444 10.2506 10.3023 10.3152 11.0108 11.0119 k =-0.3965 0.4759-0.0000 ( 4914 PWs) bands (ev): -12.9874 -12.9868 -12.8464 -12.8462 -11.7435 -11.7421 -10.1012 -10.0873 -9.1978 -9.1859 -9.1797 -9.1661 -4.3551 -4.3532 -3.1727 -3.1702 -1.6886 -1.6679 -1.2396 -1.1774 -0.7311 -0.6967 -0.4298 -0.3922 -0.3718 -0.3667 0.8330 0.8430 1.6320 1.6394 1.8696 1.8699 2.2109 2.2211 2.4707 2.4823 2.5781 2.6046 3.3085 3.3099 3.3900 3.4031 3.8802 3.8838 4.2514 4.2545 4.5119 4.5154 9.1015 9.1028 9.5405 9.5572 10.2370 10.2397 10.3219 10.3319 10.9713 10.9715 k =-0.3879 0.4899-0.0000 ( 4910 PWs) bands (ev): -12.9920 -12.9913 -12.8483 -12.8481 -11.7221 -11.7205 -10.1413 -10.1278 -9.1850 -9.1724 -9.1695 -9.1488 -4.3474 -4.3454 -3.2083 -3.2054 -1.6210 -1.5961 -1.2410 -1.1823 -0.7829 -0.7468 -0.4272 -0.4227 -0.3745 -0.3290 0.8664 0.8766 1.6535 1.6621 1.8344 1.8351 2.2206 2.2312 2.4593 2.4709 2.5516 2.5795 3.3008 3.3020 3.4002 3.4132 3.9120 3.9156 4.2331 4.2366 4.5004 4.5037 9.1424 9.1438 9.5079 9.5249 10.2264 10.2272 10.3451 10.3536 10.9295 10.9301 k =-0.3793 0.5039-0.0000 ( 4906 PWs) bands (ev): -12.9972 -12.9965 -12.8500 -12.8498 -11.6990 -11.6973 -10.1813 -10.1682 -9.1741 -9.1589 -9.1581 -9.1328 -4.3393 -4.3372 -3.2433 -3.2400 -1.5597 -1.5288 -1.2315 -1.1783 -0.8338 -0.7961 -0.4654 -0.4543 -0.3408 -0.2907 0.8962 0.9067 1.6751 1.6857 1.7988 1.8013 2.2297 2.2405 2.4505 2.4617 2.5231 2.5522 3.2923 3.2931 3.4116 3.4243 3.9435 3.9471 4.2151 4.2190 4.4876 4.4906 9.1863 9.1879 9.4736 9.4908 10.2130 10.2133 10.3722 10.3800 10.8860 10.8876 k =-0.3707 0.5179-0.0000 ( 4904 PWs) bands (ev): -13.0031 -13.0024 -12.8515 -12.8513 -11.6743 -11.6724 -10.2210 -10.2083 -9.1635 -9.1480 -9.1445 -9.1185 -4.3309 -4.3287 -3.2777 -3.2740 -1.5091 -1.4699 -1.2071 -1.1614 -0.8836 -0.8444 -0.5063 -0.4931 -0.3024 -0.2521 0.9216 0.9327 1.6941 1.7086 1.7653 1.7718 2.2378 2.2483 2.4448 2.4552 2.4926 2.5228 3.2835 3.2840 3.4236 3.4360 3.9746 3.9781 4.1976 4.2018 4.4736 4.4763 9.2329 9.2347 9.4376 9.4548 10.1971 10.1980 10.4033 10.4109 10.8415 10.8438 k =-0.3621 0.5319-0.0000 ( 4900 PWs) bands (ev): -13.0098 -13.0090 -12.8526 -12.8524 -11.6480 -11.6459 -10.2604 -10.2481 -9.1528 -9.1367 -9.1321 -9.1057 -4.3222 -4.3199 -3.3116 -3.3076 -1.4717 -1.4236 -1.1652 -1.1278 -0.9317 -0.8913 -0.5497 -0.5353 -0.2630 -0.2134 0.9418 0.9536 1.6986 1.7140 1.7513 1.7592 2.2445 2.2543 2.4427 2.4518 2.4602 2.4914 3.2748 3.2749 3.4357 3.4477 4.0049 4.0083 4.1807 4.1851 4.4587 4.4610 9.2823 9.2842 9.4000 9.4172 10.1796 10.1809 10.4385 10.4462 10.7960 10.7991 k =-0.3534 0.5459-0.0000 ( 4904 PWs) bands (ev): -13.0173 -13.0164 -12.8535 -12.8533 -11.6201 -11.6178 -10.2993 -10.2874 -9.1419 -9.1250 -9.1212 -9.0945 -4.3133 -4.3110 -3.3452 -3.3408 -1.4464 -1.3909 -1.1078 -1.0764 -0.9776 -0.9368 -0.5955 -0.5801 -0.2231 -0.1744 0.9557 0.9687 1.6797 1.6872 1.7723 1.7730 2.2499 2.2585 2.4257 2.4444 2.4520 2.4579 3.2661 3.2664 3.4476 3.4592 4.0344 4.0377 4.1644 4.1690 4.4431 4.4450 9.3340 9.3362 9.3610 9.3779 10.1605 10.1620 10.4779 10.4858 10.7498 10.7538 k =-0.3448 0.5599-0.0000 ( 4896 PWs) bands (ev): -13.0254 -13.0246 -12.8540 -12.8538 -11.5905 -11.5881 -10.3376 -10.3261 -9.1309 -9.1131 -9.1117 -9.0850 -4.3043 -4.3019 -3.3784 -3.3737 -1.4292 -1.3691 -1.0487 -1.0114 -1.0105 -0.9803 -0.6436 -0.6275 -0.1826 -0.1350 0.9625 0.9768 1.6544 1.6578 1.7972 1.7996 2.2539 2.2611 2.3895 2.4223 2.4499 2.4553 3.2577 3.2585 3.4592 3.4704 4.0627 4.0660 4.1487 4.1534 4.4269 4.4285 9.3201 9.3369 9.3885 9.3908 10.1400 10.1416 10.5216 10.5296 10.7033 10.7080 k =-0.3448 0.5599-0.0000 ( 4896 PWs) bands (ev): -13.0254 -13.0246 -12.8540 -12.8538 -11.5905 -11.5881 -10.3376 -10.3261 -9.1309 -9.1131 -9.1117 -9.0850 -4.3043 -4.3019 -3.3784 -3.3737 -1.4292 -1.3691 -1.0487 -1.0114 -1.0105 -0.9803 -0.6436 -0.6275 -0.1826 -0.1350 0.9625 0.9768 1.6544 1.6578 1.7972 1.7996 2.2539 2.2611 2.3895 2.4223 2.4499 2.4553 3.2577 3.2585 3.4592 3.4704 4.0627 4.0660 4.1487 4.1534 4.4269 4.4285 9.3201 9.3369 9.3885 9.3908 10.1400 10.1416 10.5216 10.5296 10.7033 10.7080 k =-0.3448 0.5599 0.0173 ( 4896 PWs) bands (ev): -13.0253 -13.0244 -12.8541 -12.8539 -11.5895 -11.5871 -10.3371 -10.3256 -9.1336 -9.1160 -9.1129 -9.0861 -4.3009 -4.2985 -3.3791 -3.3744 -1.4266 -1.3670 -1.0525 -1.0172 -1.0124 -0.9786 -0.6457 -0.6296 -0.1747 -0.1280 0.9631 0.9774 1.6531 1.6565 1.7965 1.7989 2.2510 2.2582 2.3896 2.4221 2.4532 2.4585 3.2565 3.2574 3.4610 3.4721 4.0630 4.0662 4.1483 4.1530 4.4262 4.4277 9.3179 9.3347 9.3868 9.3890 10.1298 10.1314 10.5219 10.5299 10.7130 10.7180 k =-0.3448 0.5599 0.0346 ( 4900 PWs) bands (ev): -13.0247 -13.0238 -12.8541 -12.8540 -11.5863 -11.5839 -10.3355 -10.3241 -9.1417 -9.1244 -9.1164 -9.0896 -4.2906 -4.2885 -3.3810 -3.3763 -1.4191 -1.3614 -1.0665 -1.0359 -1.0119 -0.9737 -0.6521 -0.6361 -0.1522 -0.1075 0.9650 0.9792 1.6491 1.6529 1.7945 1.7969 2.2429 2.2503 2.3899 2.4214 2.4623 2.4676 3.2532 3.2543 3.4664 3.4772 4.0639 4.0671 4.1470 4.1517 4.4239 4.4255 9.3112 9.3280 9.3821 9.3839 10.1015 10.1030 10.5231 10.5311 10.7400 10.7455 k =-0.3448 0.5599 0.0518 ( 4900 PWs) bands (ev): -13.0237 -13.0229 -12.8543 -12.8541 -11.5810 -11.5787 -10.3329 -10.3215 -9.1553 -9.1383 -9.1221 -9.0954 -4.2737 -4.2718 -3.3840 -3.3794 -1.4086 -1.3549 -1.0904 -1.0616 -1.0063 -0.9656 -0.6627 -0.6467 -0.1173 -0.0756 0.9681 0.9821 1.6426 1.6469 1.7910 1.7935 2.2312 2.2387 2.3903 2.4202 2.4759 2.4813 3.2482 3.2496 3.4750 3.4853 4.0653 4.0684 4.1449 4.1495 4.4202 4.4217 9.3000 9.3169 9.3747 9.3760 10.0597 10.0613 10.5250 10.5333 10.7795 10.7858 k =-0.3448 0.5599 0.0691 ( 4906 PWs) bands (ev): -13.0224 -13.0215 -12.8545 -12.8543 -11.5737 -11.5713 -10.3292 -10.3180 -9.1742 -9.1575 -9.1299 -9.1035 -4.2502 -4.2487 -3.3880 -3.3835 -1.3991 -1.3528 -1.1178 -1.0862 -0.9964 -0.9547 -0.6770 -0.6611 -0.0733 -0.0349 0.9724 0.9861 1.6338 1.6386 1.7861 1.7886 2.2172 2.2250 2.3905 2.4183 2.4926 2.4982 3.2419 3.2437 3.4860 3.4958 4.0672 4.0702 4.1419 4.1464 4.4149 4.4164 9.2844 9.3014 9.3653 9.3657 10.0097 10.0113 10.5277 10.5364 10.8268 10.8338 k =-0.3448 0.5599 0.0864 ( 4904 PWs) bands (ev): -13.0207 -13.0198 -12.8548 -12.8546 -11.5642 -11.5619 -10.3245 -10.3134 -9.1981 -9.1819 -9.1399 -9.1138 -4.2204 -4.2194 -3.3927 -3.3883 -1.3981 -1.3634 -1.1383 -1.0989 -0.9832 -0.9416 -0.6946 -0.6786 -0.0229 0.0120 0.9779 0.9914 1.6227 1.6282 1.7795 1.7821 2.2023 2.2105 2.3901 2.4154 2.5115 2.5173 3.2349 3.2369 3.4990 3.5083 4.0694 4.0723 4.1381 4.1424 4.4083 4.4097 9.2645 9.2815 9.3542 9.3547 9.9553 9.9570 10.5312 10.5404 10.8782 10.8857 k =-0.3448 0.5599 0.1037 ( 4914 PWs) bands (ev): -13.0186 -13.0178 -12.8552 -12.8550 -11.5526 -11.5503 -10.3188 -10.3078 -9.2270 -9.2112 -9.1519 -9.1262 -4.1845 -4.1842 -3.3977 -3.3934 -1.4147 -1.3931 -1.1407 -1.0915 -0.9680 -0.9274 -0.7144 -0.6979 0.0314 0.0630 0.9847 0.9977 1.6096 1.6160 1.7710 1.7736 2.1876 2.1963 2.3889 2.4112 2.5318 2.5378 3.2275 3.2298 3.5135 3.5221 4.0717 4.0745 4.1334 4.1376 4.4001 4.4015 9.2402 9.2573 9.3421 9.3437 9.8993 9.9012 10.5355 10.5454 10.9308 10.9387 k =-0.3448 0.5599 0.1209 ( 4920 PWs) bands (ev): -13.0162 -13.0153 -12.8556 -12.8555 -11.5389 -11.5367 -10.3120 -10.3011 -9.2603 -9.2451 -9.1659 -9.1408 -4.1433 -4.1430 -3.4027 -3.3987 -1.4518 -1.4404 -1.1208 -1.0643 -0.9525 -0.9146 -0.7347 -0.7166 0.0879 0.1162 0.9926 1.0052 1.5947 1.6020 1.7606 1.7632 2.1738 2.1830 2.3863 2.4053 2.5531 2.5594 3.2202 3.2227 3.5289 3.5370 4.0741 4.0767 4.1279 4.1319 4.3906 4.3919 9.2120 9.2289 9.3305 9.3334 9.8439 9.8462 10.5407 10.5512 10.9827 10.9908 k =-0.3448 0.5599 0.1382 ( 4924 PWs) bands (ev): -13.0134 -13.0126 -12.8561 -12.8560 -11.5231 -11.5210 -10.3041 -10.2934 -9.2980 -9.2832 -9.1818 -9.1573 -4.0972 -4.0962 -3.4075 -3.4037 -1.5044 -1.4995 -1.0830 -1.0223 -0.9402 -0.9077 -0.7517 -0.7298 0.1452 0.1704 1.0018 1.0138 1.5781 1.5864 1.7481 1.7506 2.1615 2.1710 2.3820 2.3974 2.5751 2.5817 3.2131 3.2158 3.5448 3.5524 4.0763 4.0787 4.1215 4.1254 4.3797 4.3809 9.1800 9.1967 9.3205 9.3246 9.7906 9.7931 10.5466 10.5577 11.0322 11.0403 k =-0.3448 0.5599 0.1555 ( 4928 PWs) bands (ev): -13.0104 -13.0095 -12.8567 -12.8566 -11.5053 -11.5033 -10.2951 -10.2847 -9.3395 -9.3253 -9.1996 -9.1758 -4.0462 -4.0444 -3.4117 -3.4082 -1.5663 -1.5656 -1.0336 -0.9696 -0.9365 -0.9130 -0.7593 -0.7310 0.2022 0.2245 1.0120 1.0235 1.5602 1.5694 1.7335 1.7358 2.1509 2.1607 2.3756 2.3872 2.5978 2.6046 3.2064 3.2092 3.5611 3.5681 4.0780 4.0802 4.1144 4.1180 4.3676 4.3686 9.1448 9.1611 9.3127 9.3183 9.7402 9.7431 10.5532 10.5649 11.0779 11.0855 k =-0.3448 0.5599 0.1728 ( 4924 PWs) bands (ev): -13.0070 -13.0062 -12.8574 -12.8573 -11.4854 -11.4835 -10.2851 -10.2749 -9.3846 -9.3709 -9.2191 -9.1961 -3.9907 -3.9881 -3.4149 -3.4118 -1.6359 -1.6337 -0.9837 -0.9396 -0.9344 -0.9085 -0.7516 -0.7170 0.2582 0.2776 1.0233 1.0342 1.5410 1.5511 1.7167 1.7189 2.1422 2.1521 2.3667 2.3744 2.6209 2.6280 3.2004 3.2033 3.5773 3.5839 4.0791 4.0811 4.1067 4.1100 4.3542 4.3550 9.1071 9.1228 9.3082 9.3152 9.6934 9.6967 10.5604 10.5726 11.1181 11.1249 k =-0.3448 0.5599 0.1900 ( 4929 PWs) bands (ev): -13.0034 -13.0025 -12.8582 -12.8582 -11.4635 -11.4616 -10.2741 -10.2641 -9.4328 -9.4198 -9.2403 -9.2182 -3.9311 -3.9276 -3.4169 -3.4142 -1.7086 -1.7043 -0.9874 -0.9678 -0.8972 -0.8419 -0.7288 -0.6901 0.3124 0.3291 1.0357 1.0459 1.5207 1.5316 1.6980 1.7001 2.1352 2.1450 2.3551 2.3588 2.6447 2.6519 3.1952 3.1980 3.5933 3.5994 4.0793 4.0810 4.0982 4.1013 4.3396 4.3403 9.0677 9.0825 9.3074 9.3159 9.6504 9.6540 10.5681 10.5807 11.1509 11.1566 k =-0.3448 0.5599 0.2073 ( 4923 PWs) bands (ev): -12.9995 -12.9986 -12.8591 -12.8591 -11.4395 -11.4378 -10.2619 -10.2523 -9.4840 -9.4715 -9.2631 -9.2418 -3.8678 -3.8634 -3.4175 -3.4153 -1.7827 -1.7766 -1.0235 -1.0104 -0.8281 -0.7701 -0.6948 -0.6543 0.3644 0.3786 1.0489 1.0585 1.4995 1.5111 1.6776 1.6797 2.1296 2.1390 2.3401 2.3404 2.6690 2.6763 3.1908 3.1935 3.6088 3.6145 4.0783 4.0797 4.0893 4.0921 4.3241 4.3245 9.0275 9.0413 9.3111 9.3210 9.6112 9.6152 10.5760 10.5890 11.1741 11.1787 k =-0.3448 0.5599 0.2246 ( 4919 PWs) bands (ev): -12.9953 -12.9945 -12.8602 -12.8602 -11.4135 -11.4119 -10.2487 -10.2394 -9.5376 -9.5258 -9.2873 -9.2670 -3.8011 -3.7959 -3.4163 -3.4146 -1.8573 -1.8499 -1.0688 -1.0592 -0.7530 -0.6942 -0.6529 -0.6118 0.4140 0.4256 1.0630 1.0718 1.4774 1.4896 1.6560 1.6580 2.1248 2.1335 2.3182 2.3225 2.6939 2.7012 3.1873 3.1899 3.6237 3.6291 4.0758 4.0766 4.0803 4.0829 4.3076 4.3078 8.9877 9.0003 9.3197 9.3309 9.5756 9.5799 10.5840 10.5973 11.1852 11.1889 k =-0.3448 0.5599 0.2419 ( 4913 PWs) bands (ev): -12.9910 -12.9901 -12.8613 -12.8613 -11.3855 -11.3840 -10.2343 -10.2254 -9.5934 -9.5823 -9.3129 -9.2935 -3.7315 -3.7254 -3.4133 -3.4122 -1.9319 -1.9236 -1.1199 -1.1128 -0.6746 -0.6149 -0.6044 -0.5642 0.4607 0.4700 1.0777 1.0857 1.4546 1.4672 1.6336 1.6356 2.1204 2.1279 2.2932 2.3012 2.7195 2.7268 3.1848 3.1873 3.6379 3.6429 4.0694 4.0700 4.0733 4.0754 4.2903 4.2903 8.9493 8.9604 9.3334 9.3460 9.5432 9.5478 10.5917 10.6052 11.1822 11.1860 k =-0.3448 0.5599 0.2592 ( 4907 PWs) bands (ev): -12.9864 -12.9856 -12.8627 -12.8626 -11.3555 -11.3542 -10.2189 -10.2104 -9.6511 -9.6406 -9.3397 -9.3213 -3.6593 -3.6523 -3.4082 -3.4076 -2.0063 -1.9970 -1.1754 -1.1703 -0.5951 -0.5493 -0.5331 -0.5122 0.5044 0.5114 1.0926 1.0999 1.4313 1.4440 1.6109 1.6128 2.1155 2.1216 2.2650 2.2765 2.7459 2.7530 3.1834 3.1856 3.6512 3.6559 4.0600 4.0605 4.0676 4.0690 4.2721 4.2723 8.9134 8.9228 9.3524 9.3663 9.5135 9.5184 10.5987 10.6124 11.1648 11.1698 k =-0.3448 0.5599 0.2764 ( 4913 PWs) bands (ev): -12.9817 -12.9809 -12.8641 -12.8641 -11.3236 -11.3224 -10.2025 -10.1943 -9.7104 -9.7005 -9.3675 -9.3502 -3.5848 -3.5770 -3.4009 -3.4009 -2.0800 -2.0700 -1.2344 -1.2311 -0.5191 -0.4844 -0.4567 -0.4490 0.5450 0.5498 1.1074 1.1139 1.4079 1.4205 1.5884 1.5903 2.1095 2.1136 2.2338 2.2484 2.7730 2.7799 3.1829 3.1849 3.6635 3.6679 4.0502 4.0503 4.0605 4.0614 4.2533 4.2539 8.8808 8.8885 9.3769 9.3921 9.4861 9.4913 10.6046 10.6184 11.1351 11.1421 k =-0.3448 0.5599 0.2937 ( 4915 PWs) bands (ev): -12.9769 -12.9760 -12.8658 -12.8657 -11.2897 -11.2887 -10.1849 -10.1772 -9.7710 -9.7616 -9.3964 -9.3801 -3.5085 -3.4998 -3.3919 -3.3913 -2.1528 -2.1423 -1.2964 -1.2946 -0.4504 -0.4070 -0.3972 -0.3641 0.5822 0.5849 1.1212 1.1271 1.3850 1.3970 1.5667 1.5685 2.1016 2.1031 2.2000 2.2170 2.8009 2.8075 3.1835 3.1851 3.6749 3.6791 4.0403 4.0407 4.0516 4.0522 4.2342 4.2351 8.8524 8.8582 9.4065 9.4231 9.4607 9.4660 10.6089 10.6228 11.0969 11.1058 k =-0.3448 0.5599 0.3110 ( 4909 PWs) bands (ev): -12.9719 -12.9711 -12.8675 -12.8674 -11.2540 -11.2531 -10.1663 -10.1591 -9.8326 -9.8238 -9.4261 -9.4108 -3.4307 -3.4209 -3.3802 -3.3793 -2.2245 -2.2135 -1.3610 -1.3607 -0.3841 -0.3345 -0.3230 -0.2785 0.6159 0.6166 1.1327 1.1381 1.3638 1.3747 1.5464 1.5481 2.0893 2.0913 2.1642 2.1825 2.8294 2.8358 3.1849 3.1861 3.6852 3.6892 4.0305 4.0315 4.0410 4.0412 4.2149 4.2161 8.8288 8.8326 9.4307 9.4415 9.4472 9.4597 10.6110 10.6249 11.0536 11.0640 k =-0.3448 0.5599 0.3283 ( 4909 PWs) bands (ev): -12.9668 -12.9660 -12.8695 -12.8693 -11.2163 -11.2156 -10.1466 -10.1399 -9.8949 -9.8867 -9.4565 -9.4423 -3.3686 -3.3648 -3.3489 -3.3407 -2.2949 -2.2836 -1.4290 -1.4279 -0.3166 -0.2690 -0.2369 -0.1928 0.6447 0.6459 1.1394 1.1447 1.3465 1.3553 1.5282 1.5298 2.0705 2.0779 2.1276 2.1453 2.8585 2.8646 3.1871 3.1879 3.6946 3.6985 4.0210 4.0228 4.0287 4.0287 4.1956 4.1971 8.8106 8.8125 9.4099 9.4180 9.4842 9.5008 10.6101 10.6241 11.0081 11.0194 k =-0.3448 0.5599 0.3455 ( 4905 PWs) bands (ev): -12.9617 -12.9609 -12.8716 -12.8714 -11.1768 -11.1763 -10.1258 -10.1197 -9.9578 -9.9502 -9.4875 -9.4744 -3.3510 -3.3477 -3.2695 -3.2595 -2.3639 -2.3524 -1.4993 -1.4969 -0.2470 -0.2009 -0.1507 -0.1078 0.6690 0.6720 1.1382 1.1440 1.3359 1.3418 1.5129 1.5143 2.0448 2.0606 2.0924 2.1060 2.8879 2.8939 3.1900 3.1903 3.7031 3.7070 4.0105 4.0133 4.0163 4.0164 4.1764 4.1782 8.7981 8.7982 9.3858 9.3944 9.5293 9.5468 10.6056 10.6196 10.9627 10.9743 k =-0.3448 0.5599 0.3628 ( 4898 PWs) bands (ev): -12.9565 -12.9558 -12.8739 -12.8737 -11.1355 -11.1352 -10.1041 -10.0985 -10.0210 -10.0139 -9.5190 -9.5070 -3.3319 -3.3281 -3.1881 -3.1773 -2.4314 -2.4197 -1.5714 -1.5678 -0.1751 -0.1304 -0.0653 -0.0242 0.6891 0.6937 1.1265 1.1329 1.3346 1.3369 1.5011 1.5023 2.0107 2.0380 2.0601 2.0662 2.9176 2.9233 3.1929 3.1932 3.7108 3.7148 3.9959 3.9985 4.0074 4.0088 4.1575 4.1595 8.7897 8.7918 9.3608 9.3701 9.5790 9.5970 10.5967 10.6108 10.9193 10.9307 k =-0.3448 0.5599 0.3801 ( 4899 PWs) bands (ev): -12.9514 -12.9506 -12.8764 -12.8762 -11.0924 -11.0923 -10.0852 -10.0831 -10.0759 -10.0754 -9.5508 -9.5399 -3.3103 -3.3059 -3.1059 -3.0946 -2.4972 -2.4855 -1.6451 -1.6403 -0.1012 -0.0579 0.0184 0.0574 0.7048 0.7109 1.1037 1.1102 1.3412 1.3429 1.4937 1.4946 1.9702 2.0063 2.0292 2.0299 2.9471 2.9527 3.1955 3.1964 3.7181 3.7221 3.9788 3.9817 4.0009 4.0030 4.1390 4.1413 8.7875 8.7916 9.3343 9.3446 9.6329 9.6512 10.5828 10.5970 10.8792 10.8900 k =-0.3448 0.5599 0.3974 ( 4905 PWs) bands (ev): -12.9462 -12.9454 -12.8791 -12.8788 -11.0477 -11.0475 -10.1479 -10.1419 -10.0571 -10.0528 -9.5829 -9.5730 -3.2861 -3.2810 -3.0231 -3.0114 -2.5612 -2.5495 -1.7202 -1.7144 -0.0255 0.0162 0.0998 0.1363 0.7155 0.7229 1.0715 1.0773 1.3534 1.3587 1.4914 1.4919 1.9263 1.9652 1.9972 1.9979 2.9761 2.9817 3.1978 3.1993 3.7250 3.7293 3.9603 3.9638 3.9959 3.9986 4.1211 4.1236 8.7916 8.7975 9.3061 9.3172 9.6903 9.7088 10.5633 10.5776 10.8440 10.8538 k =-0.3448 0.5599 0.4146 ( 4910 PWs) bands (ev): -12.9410 -12.9403 -12.8820 -12.8817 -11.0014 -11.0010 -10.2109 -10.2054 -10.0323 -10.0287 -9.6151 -9.6063 -3.2594 -3.2536 -2.9399 -2.9279 -2.6233 -2.6117 -1.7966 -1.7897 0.0515 0.0916 0.1780 0.2119 0.7208 0.7295 1.0319 1.0363 1.3712 1.3801 1.4949 1.4950 1.8809 1.9202 1.9630 1.9653 3.0045 3.0101 3.1993 3.2015 3.7320 3.7366 3.9409 3.9451 3.9924 3.9954 4.1038 4.1066 8.8017 8.8094 9.2756 9.2877 9.7508 9.7693 10.5379 10.5523 10.8146 10.8232 k =-0.3448 0.5599 0.4319 ( 4904 PWs) bands (ev): -12.9360 -12.9352 -12.8851 -12.8847 -10.9535 -10.9528 -10.2736 -10.2686 -10.0066 -10.0036 -9.6473 -9.6396 -3.2300 -3.2236 -2.8565 -2.8442 -2.6835 -2.6720 -1.8741 -1.8664 0.1296 0.1680 0.2525 0.2836 0.7204 0.7301 0.9864 0.9887 1.3929 1.4055 1.5043 1.5045 1.8351 1.8740 1.9262 1.9302 3.0318 3.0375 3.1997 3.2026 3.7393 3.7444 3.9210 3.9258 3.9904 3.9938 4.0874 4.0905 8.8177 8.8271 9.2427 9.2558 9.8137 9.8320 10.5064 10.5210 10.7918 10.7992 k =-0.3448 0.5599 0.4492 ( 4899 PWs) bands (ev): -12.9309 -12.9303 -12.8884 -12.8880 -10.9039 -10.9029 -10.3358 -10.3312 -9.9799 -9.9776 -9.6795 -9.6728 -3.1980 -3.1909 -2.7734 -2.7607 -2.7412 -2.7302 -1.9526 -1.9440 0.2082 0.2447 0.3226 0.3508 0.7140 0.7248 0.9356 0.9356 1.4178 1.4340 1.5199 1.5206 1.7896 1.8277 1.8870 1.8924 3.0578 3.0636 3.1985 3.2021 3.7474 3.7529 3.9009 3.9063 3.9900 3.9937 4.0720 4.0752 8.8392 8.8500 9.2073 9.2213 9.8784 9.8965 10.4690 10.4836 10.7763 10.7825 k =-0.3448 0.5599 0.4665 ( 4899 PWs) bands (ev): -12.9260 -12.9254 -12.8918 -12.8914 -10.8529 -10.8516 -10.3973 -10.3932 -9.9522 -9.9508 -9.7115 -9.7058 -3.1634 -3.1558 -2.7980 -2.7868 -2.6891 -2.6768 -2.0321 -2.0227 0.2869 0.3214 0.3881 0.4133 0.7014 0.7132 0.8778 0.8804 1.4453 1.4650 1.5416 1.5428 1.7449 1.7818 1.8459 1.8523 3.0821 3.0880 3.1953 3.1996 3.7566 3.7625 3.8809 3.8868 3.9913 3.9951 4.0576 4.0610 8.8656 8.8778 9.1698 9.1844 9.9443 9.9621 10.4257 10.4405 10.7684 10.7734 k =-0.3448 0.5599 0.4838 ( 4896 PWs) bands (ev): -12.9212 -12.9206 -12.8955 -12.8950 -10.8003 -10.7987 -10.4581 -10.4543 -9.9238 -9.9231 -9.7432 -9.7385 -3.1262 -3.1180 -2.8518 -2.8409 -2.6057 -2.5935 -2.1123 -2.1023 0.3647 0.3975 0.4485 0.4708 0.6825 0.6955 0.8159 0.8211 1.4754 1.4982 1.5687 1.5708 1.7014 1.7369 1.8034 1.8103 3.1046 3.1106 3.1900 3.1948 3.7671 3.7734 3.8613 3.8677 3.9942 3.9981 4.0443 4.0479 8.8964 8.9097 9.1304 9.1455 10.0107 10.0281 10.3771 10.3920 10.7682 10.7721 k =-0.3448 0.5599 0.5010 ( 4898 PWs) bands (ev): -12.9165 -12.9159 -12.8994 -12.8989 -10.7464 -10.7445 -10.5179 -10.5146 -9.8947 -9.8945 -9.7745 -9.7708 -3.0866 -3.0778 -2.9035 -2.8929 -2.5225 -2.5104 -2.1933 -2.1827 0.4407 0.4723 0.5038 0.5232 0.6574 0.6717 0.7510 0.7582 1.5079 1.5334 1.6005 1.6037 1.6594 1.6934 1.7604 1.7674 3.1250 3.1311 3.1821 3.1875 3.7791 3.7858 3.8424 3.8491 3.9987 4.0027 4.0323 4.0361 8.9309 8.9451 9.0897 9.1052 10.0769 10.0938 10.3237 10.3389 10.7755 10.7786 k =-0.3448 0.5599 0.5183 ( 4898 PWs) bands (ev): -12.9120 -12.9114 -12.9034 -12.9029 -10.6911 -10.6888 -10.5768 -10.5738 -9.8656 -9.8646 -9.8054 -9.8026 -3.0444 -3.0352 -2.9528 -2.9427 -2.4395 -2.4277 -2.2748 -2.2637 0.5117 0.5439 0.5535 0.5715 0.6274 0.6418 0.6850 0.6926 1.5427 1.5704 1.6175 1.6372 1.6379 1.6548 1.7177 1.7245 3.1431 3.1491 3.1717 3.1774 3.7927 3.7996 3.8245 3.8314 4.0048 4.0088 4.0217 4.0256 8.9684 8.9832 9.0486 9.0641 10.1420 10.1584 10.2662 10.2818 10.7902 10.7924 k =-0.3448 0.5599 0.5356 ( 4912 PWs) bands (ev): -12.9076 -12.9076 -12.9071 -12.9071 -10.6345 -10.6345 -10.6319 -10.6319 -9.8358 -9.8358 -9.8339 -9.8339 -2.9998 -2.9998 -2.9901 -2.9901 -2.3570 -2.3570 -2.3454 -2.3454 0.5665 0.5665 0.6011 0.6011 0.6264 0.6264 0.6278 0.6278 1.5795 1.5795 1.6090 1.6090 1.6763 1.6763 1.6826 1.6826 3.1587 3.1587 3.1646 3.1646 3.8079 3.8079 3.8149 3.8149 4.0125 4.0125 4.0165 4.0165 9.0079 9.0079 9.0232 9.0232 10.2054 10.2054 10.2213 10.2213 10.8115 10.8115 k =-0.3448 0.5599 0.5356 ( 4912 PWs) bands (ev): -12.9076 -12.9076 -12.9071 -12.9071 -10.6345 -10.6345 -10.6319 -10.6319 -9.8358 -9.8358 -9.8339 -9.8339 -2.9998 -2.9998 -2.9901 -2.9901 -2.3570 -2.3570 -2.3454 -2.3454 0.5665 0.5665 0.6011 0.6011 0.6264 0.6264 0.6278 0.6278 1.5795 1.5795 1.6090 1.6090 1.6763 1.6763 1.6826 1.6826 3.1587 3.1587 3.1646 3.1646 3.8079 3.8079 3.8149 3.8149 4.0125 4.0125 4.0165 4.0165 9.0079 9.0079 9.0232 9.0232 10.2054 10.2054 10.2213 10.2213 10.8115 10.8115 k =-0.3534 0.5459 0.5356 ( 4900 PWs) bands (ev): -12.9042 -12.9042 -12.9037 -12.9037 -10.6596 -10.6596 -10.6572 -10.6572 -9.8101 -9.8101 -9.8083 -9.8083 -3.0540 -3.0540 -3.0450 -3.0450 -2.3060 -2.3060 -2.2945 -2.2945 0.5720 0.5720 0.6057 0.6057 0.6322 0.6322 0.6334 0.6334 1.5744 1.5744 1.6018 1.6018 1.6806 1.6806 1.6874 1.6874 3.1520 3.1520 3.1579 3.1579 3.7902 3.7902 3.7969 3.7969 4.0289 4.0289 4.0328 4.0328 9.0002 9.0002 9.0154 9.0154 10.2165 10.2165 10.2315 10.2315 10.8165 10.8165 k =-0.3621 0.5319 0.5356 ( 4896 PWs) bands (ev): -12.9010 -12.9010 -12.9005 -12.9005 -10.6835 -10.6835 -10.6812 -10.6812 -9.7851 -9.7851 -9.7833 -9.7833 -3.1065 -3.1065 -3.0982 -3.0982 -2.2571 -2.2571 -2.2457 -2.2457 0.5773 0.5773 0.6100 0.6100 0.6380 0.6380 0.6391 0.6391 1.5679 1.5679 1.5931 1.5931 1.6864 1.6864 1.6935 1.6935 3.1447 3.1447 3.1507 3.1507 3.7728 3.7728 3.7793 3.7793 4.0458 4.0458 4.0496 4.0496 8.9915 8.9915 9.0064 9.0064 10.2286 10.2286 10.2426 10.2426 10.8248 10.8249 k =-0.3707 0.5179 0.5356 ( 4884 PWs) bands (ev): -12.8980 -12.8980 -12.8975 -12.8975 -10.7061 -10.7061 -10.7039 -10.7039 -9.7607 -9.7607 -9.7589 -9.7589 -3.1572 -3.1572 -3.1495 -3.1495 -2.2104 -2.2104 -2.1991 -2.1991 0.5825 0.5825 0.6139 0.6139 0.6438 0.6438 0.6449 0.6449 1.5602 1.5602 1.5832 1.5832 1.6935 1.6935 1.7009 1.7009 3.1371 3.1371 3.1430 3.1430 3.7558 3.7558 3.7622 3.7622 4.0630 4.0630 4.0667 4.0667 8.9820 8.9820 8.9965 8.9965 10.2419 10.2419 10.2549 10.2549 10.8359 10.8360 k =-0.3793 0.5039 0.5356 ( 4884 PWs) bands (ev): -12.8952 -12.8952 -12.8947 -12.8947 -10.7274 -10.7274 -10.7253 -10.7253 -9.7371 -9.7371 -9.7354 -9.7354 -3.2058 -3.2058 -3.1988 -3.1988 -2.1659 -2.1659 -2.1548 -2.1548 0.5876 0.5876 0.6174 0.6174 0.6497 0.6497 0.6511 0.6511 1.5511 1.5511 1.5720 1.5720 1.7017 1.7017 1.7093 1.7093 3.1291 3.1291 3.1350 3.1350 3.7395 3.7395 3.7456 3.7456 4.0803 4.0803 4.0838 4.0838 8.9717 8.9717 8.9858 8.9858 10.2565 10.2565 10.2685 10.2685 10.8495 10.8495 k =-0.3879 0.4899 0.5356 ( 4888 PWs) bands (ev): -12.8926 -12.8926 -12.8922 -12.8922 -10.7473 -10.7473 -10.7454 -10.7454 -9.7144 -9.7144 -9.7128 -9.7128 -3.2521 -3.2521 -3.2458 -3.2458 -2.1239 -2.1239 -2.1131 -2.1131 0.5926 0.5926 0.6206 0.6206 0.6557 0.6557 0.6575 0.6575 1.5409 1.5409 1.5597 1.5597 1.7108 1.7108 1.7185 1.7185 3.1209 3.1209 3.1267 3.1267 3.7238 3.7238 3.7297 3.7297 4.0975 4.0975 4.1008 4.1008 8.9610 8.9610 8.9744 8.9744 10.2725 10.2725 10.2835 10.2835 10.8654 10.8654 k =-0.3965 0.4759 0.5356 ( 4892 PWs) bands (ev): -12.8901 -12.8901 -12.8897 -12.8897 -10.7658 -10.7658 -10.7640 -10.7640 -9.6927 -9.6927 -9.6912 -9.6912 -3.2960 -3.2960 -3.2902 -3.2902 -2.0844 -2.0844 -2.0740 -2.0740 0.5975 0.5975 0.6234 0.6234 0.6620 0.6620 0.6643 0.6643 1.5297 1.5297 1.5466 1.5466 1.7206 1.7206 1.7282 1.7282 3.1126 3.1126 3.1182 3.1182 3.7089 3.7089 3.7146 3.7146 4.1143 4.1143 4.1174 4.1174 8.9500 8.9500 8.9627 8.9627 10.2898 10.2898 10.2997 10.2997 10.8832 10.8832 k =-0.4052 0.4619 0.5356 ( 4894 PWs) bands (ev): -12.8879 -12.8879 -12.8875 -12.8875 -10.7830 -10.7830 -10.7813 -10.7813 -9.6722 -9.6722 -9.6708 -9.6708 -3.3372 -3.3372 -3.3320 -3.3320 -2.0476 -2.0476 -2.0377 -2.0377 0.6022 0.6022 0.6258 0.6258 0.6686 0.6686 0.6715 0.6715 1.5179 1.5179 1.5329 1.5329 1.7309 1.7309 1.7382 1.7382 3.1043 3.1043 3.1098 3.1098 3.6948 3.6948 3.7002 3.7002 4.1305 4.1305 4.1335 4.1335 8.9389 8.9389 8.9509 8.9509 10.3084 10.3084 10.3173 10.3173 10.9023 10.9023 k =-0.4138 0.4479 0.5356 ( 4886 PWs) bands (ev): -12.8858 -12.8858 -12.8855 -12.8855 -10.7987 -10.7987 -10.7972 -10.7972 -9.6530 -9.6530 -9.6517 -9.6517 -3.3756 -3.3756 -3.3709 -3.3709 -2.0135 -2.0135 -2.0042 -2.0042 0.6066 0.6066 0.6278 0.6278 0.6754 0.6754 0.6789 0.6789 1.5055 1.5055 1.5188 1.5188 1.7412 1.7412 1.7481 1.7481 3.0962 3.0962 3.1014 3.1014 3.6817 3.6817 3.6868 3.6868 4.1460 4.1460 4.1488 4.1488 8.9280 8.9280 8.9391 8.9391 10.3279 10.3279 10.3358 10.3358 10.9222 10.9222 k =-0.4224 0.4339 0.5356 ( 4886 PWs) bands (ev): -12.8840 -12.8840 -12.8837 -12.8837 -10.8129 -10.8129 -10.8116 -10.8116 -9.6353 -9.6353 -9.6340 -9.6340 -3.4109 -3.4109 -3.4067 -3.4067 -1.9823 -1.9823 -1.9736 -1.9736 0.6107 0.6107 0.6295 0.6295 0.6824 0.6824 0.6864 0.6864 1.4930 1.4930 1.5046 1.5046 1.7515 1.7515 1.7580 1.7580 3.0884 3.0884 3.0934 3.0934 3.6696 3.6696 3.6744 3.6744 4.1606 4.1606 4.1631 4.1631 8.9174 8.9174 8.9277 8.9277 10.3482 10.3482 10.3551 10.3551 10.9424 10.9424 k =-0.4310 0.4199 0.5356 ( 4896 PWs) bands (ev): -12.8823 -12.8823 -12.8821 -12.8821 -10.8257 -10.8257 -10.8245 -10.8245 -9.6190 -9.6190 -9.6179 -9.6179 -3.4429 -3.4429 -3.4393 -3.4393 -1.9541 -1.9541 -1.9461 -1.9461 0.6145 0.6145 0.6310 0.6310 0.6896 0.6896 0.6939 0.6939 1.4805 1.4805 1.4906 1.4906 1.7614 1.7614 1.7673 1.7673 3.0810 3.0810 3.0856 3.0856 3.6586 3.6586 3.6630 3.6630 4.1741 4.1741 4.1763 4.1763 8.9075 8.9075 8.9167 8.9167 10.3688 10.3688 10.3748 10.3748 10.9623 10.9624 k =-0.4397 0.4059 0.5356 ( 4904 PWs) bands (ev): -12.8809 -12.8809 -12.8806 -12.8806 -10.8371 -10.8371 -10.8360 -10.8360 -9.6043 -9.6043 -9.6034 -9.6034 -3.4716 -3.4716 -3.4685 -3.4685 -1.9289 -1.9289 -1.9217 -1.9217 0.6180 0.6180 0.6321 0.6321 0.6968 0.6968 0.7012 0.7012 1.4685 1.4685 1.4771 1.4771 1.7708 1.7708 1.7761 1.7761 3.0742 3.0742 3.0784 3.0784 3.6488 3.6488 3.6528 3.6528 4.1863 4.1863 4.1883 4.1883 8.8983 8.8983 8.9065 8.9065 10.3892 10.3892 10.3943 10.3943 10.9815 10.9815 k =-0.4483 0.3919 0.5356 ( 4916 PWs) bands (ev): -12.8796 -12.8796 -12.8794 -12.8794 -10.8469 -10.8469 -10.8460 -10.8460 -9.5914 -9.5914 -9.5906 -9.5906 -3.4968 -3.4968 -3.4941 -3.4941 -1.9068 -1.9068 -1.9005 -1.9005 0.6210 0.6210 0.6329 0.6329 0.7038 0.7038 0.7080 0.7080 1.4573 1.4573 1.4644 1.4644 1.7794 1.7794 1.7841 1.7841 3.0681 3.0681 3.0717 3.0717 3.6403 3.6403 3.6437 3.6437 4.1972 4.1972 4.1989 4.1989 8.8901 8.8901 8.8972 8.8972 10.4089 10.4089 10.4131 10.4131 10.9993 10.9993 k =-0.4569 0.3779 0.5356 ( 4916 PWs) bands (ev): -12.8785 -12.8785 -12.8784 -12.8784 -10.8552 -10.8552 -10.8544 -10.8544 -9.5803 -9.5803 -9.5796 -9.5796 -3.5182 -3.5182 -3.5161 -3.5161 -1.8880 -1.8880 -1.8826 -1.8826 0.6238 0.6238 0.6335 0.6335 0.7103 0.7103 0.7143 0.7143 1.4471 1.4471 1.4529 1.4529 1.7871 1.7871 1.7911 1.7911 3.0627 3.0627 3.0658 3.0658 3.6330 3.6330 3.6359 3.6359 4.2066 4.2066 4.2080 4.2080 8.8829 8.8829 8.8889 8.8889 10.4272 10.4272 10.4306 10.4306 11.0153 11.0153 k =-0.4655 0.3639 0.5356 ( 4916 PWs) bands (ev): -12.8777 -12.8777 -12.8775 -12.8775 -10.8620 -10.8620 -10.8614 -10.8614 -9.5711 -9.5711 -9.5705 -9.5705 -3.5359 -3.5359 -3.5342 -3.5342 -1.8723 -1.8723 -1.8680 -1.8680 0.6261 0.6261 0.6338 0.6338 0.7163 0.7163 0.7197 0.7197 1.4383 1.4383 1.4429 1.4429 1.7937 1.7937 1.7969 1.7969 3.0582 3.0582 3.0608 3.0608 3.6270 3.6270 3.6294 3.6294 4.2144 4.2144 4.2156 4.2156 8.8770 8.8770 8.8819 8.8819 10.4434 10.4434 10.4461 10.4461 11.0291 11.0291 k =-0.4741 0.3499 0.5356 ( 4924 PWs) bands (ev): -12.8770 -12.8770 -12.8769 -12.8769 -10.8673 -10.8673 -10.8668 -10.8668 -9.5638 -9.5638 -9.5634 -9.5634 -3.5498 -3.5498 -3.5485 -3.5485 -1.8600 -1.8600 -1.8567 -1.8567 0.6282 0.6282 0.6339 0.6339 0.7213 0.7213 0.7241 0.7241 1.4312 1.4312 1.4346 1.4346 1.7991 1.7991 1.8015 1.8015 3.0547 3.0547 3.0567 3.0567 3.6224 3.6224 3.6242 3.6242 4.2206 4.2206 4.2215 4.2215 8.8725 8.8725 8.8762 8.8762 10.4570 10.4570 10.4589 10.4589 11.0403 11.0403 k =-0.4828 0.3359 0.5356 ( 4920 PWs) bands (ev): -12.8765 -12.8765 -12.8764 -12.8764 -10.8711 -10.8711 -10.8707 -10.8707 -9.5586 -9.5586 -9.5583 -9.5583 -3.5596 -3.5596 -3.5588 -3.5588 -1.8510 -1.8510 -1.8487 -1.8487 0.6299 0.6299 0.6336 0.6336 0.7252 0.7252 0.7272 0.7272 1.4261 1.4261 1.4283 1.4283 1.8032 1.8032 1.8048 1.8048 3.0523 3.0523 3.0536 3.0536 3.6192 3.6192 3.6204 3.6204 4.2251 4.2251 4.2257 4.2257 8.8694 8.8694 8.8718 8.8718 10.4673 10.4673 10.4685 10.4685 11.0486 11.0486 k =-0.4914 0.3219 0.5356 ( 4916 PWs) bands (ev): -12.8762 -12.8762 -12.8761 -12.8761 -10.8733 -10.8733 -10.8731 -10.8731 -9.5554 -9.5554 -9.5553 -9.5553 -3.5655 -3.5655 -3.5651 -3.5651 -1.8453 -1.8453 -1.8442 -1.8442 0.6313 0.6313 0.6331 0.6331 0.7279 0.7279 0.7289 0.7289 1.4232 1.4232 1.4243 1.4243 1.8058 1.8058 1.8066 1.8066 3.0509 3.0509 3.0516 3.0516 3.6174 3.6174 3.6180 3.6180 4.2279 4.2279 4.2282 4.2282 8.8677 8.8677 8.8689 8.8689 10.4737 10.4737 10.4744 10.4744 11.0538 11.0539 k =-0.5000 0.3079 0.5356 ( 4912 PWs) bands (ev): -12.8761 -12.8761 -12.8761 -12.8761 -10.8740 -10.8740 -10.8740 -10.8740 -9.5543 -9.5543 -9.5543 -9.5543 -3.5673 -3.5673 -3.5673 -3.5673 -1.8431 -1.8431 -1.8431 -1.8431 0.6323 0.6323 0.6323 0.6323 0.7291 0.7291 0.7291 0.7291 1.4225 1.4225 1.4225 1.4225 1.8069 1.8069 1.8069 1.8069 3.0507 3.0507 3.0507 3.0507 3.6170 3.6170 3.6170 3.6170 4.2290 4.2290 4.2290 4.2290 8.8676 8.8676 8.8676 8.8676 10.4761 10.4761 10.4761 10.4761 11.0556 11.0556 k =-0.5000 0.3079 0.5356 ( 4912 PWs) bands (ev): -12.8761 -12.8761 -12.8761 -12.8761 -10.8740 -10.8740 -10.8740 -10.8740 -9.5543 -9.5543 -9.5543 -9.5543 -3.5673 -3.5673 -3.5673 -3.5673 -1.8431 -1.8431 -1.8431 -1.8431 0.6323 0.6323 0.6323 0.6323 0.7291 0.7291 0.7291 0.7291 1.4225 1.4225 1.4225 1.4225 1.8069 1.8069 1.8069 1.8069 3.0507 3.0507 3.0507 3.0507 3.6170 3.6170 3.6170 3.6170 4.2290 4.2290 4.2290 4.2290 8.8676 8.8676 8.8676 8.8676 10.4761 10.4761 10.4761 10.4761 11.0556 11.0556 k =-0.5000 0.3079 0.5183 ( 4912 PWs) bands (ev): -12.8797 -12.8797 -12.8725 -12.8725 -10.9334 -10.9334 -10.8132 -10.8132 -9.5625 -9.5625 -9.5462 -9.5462 -3.5739 -3.5739 -3.5572 -3.5572 -1.9464 -1.9464 -1.7418 -1.7418 0.6210 0.6210 0.6321 0.6321 0.6819 0.6819 0.7839 0.7839 1.3691 1.3691 1.4771 1.4771 1.8033 1.8033 1.8087 1.8087 3.0434 3.0434 3.0552 3.0552 3.6022 3.6022 3.6341 3.6341 4.2231 4.2231 4.2360 4.2360 8.8680 8.8680 8.8737 8.8737 10.4385 10.4385 10.5066 10.5066 11.0127 11.0127 k =-0.5000 0.3079 0.5010 ( 4912 PWs) bands (ev): -12.8834 -12.8834 -12.8691 -12.8691 -10.9915 -10.9915 -10.7511 -10.7511 -9.5707 -9.5707 -9.5382 -9.5382 -3.5772 -3.5772 -3.5437 -3.5437 -2.0515 -2.0515 -1.6429 -1.6429 0.5972 0.5972 0.6084 0.6084 0.6602 0.6602 0.8406 0.8406 1.3170 1.3170 1.5326 1.5326 1.7976 1.7976 1.8087 1.8087 3.0331 3.0331 3.0577 3.0577 3.5901 3.5901 3.6528 3.6528 4.2185 4.2185 4.2443 4.2443 8.8749 8.8749 8.8865 8.8865 10.3940 10.3940 10.5299 10.5299 10.9720 10.9720 k =-0.5000 0.3079 0.4838 ( 4918 PWs) bands (ev): -12.8873 -12.8873 -12.8659 -12.8659 -11.0481 -11.0481 -10.6879 -10.6879 -9.5790 -9.5790 -9.5302 -9.5302 -3.5770 -3.5770 -3.5269 -3.5269 -2.1583 -2.1583 -1.5465 -1.5465 0.5504 0.5504 0.5846 0.5846 0.6522 0.6522 0.8977 0.8977 1.2670 1.2670 1.5887 1.5887 1.7898 1.7898 1.8076 1.8076 3.0195 3.0195 3.0586 3.0586 3.5808 3.5808 3.6726 3.6726 4.2152 4.2152 4.2535 4.2535 8.8880 8.8880 8.9057 8.9057 10.3432 10.3432 10.5462 10.5462 10.9341 10.9341 k =-0.5000 0.3079 0.4665 ( 4920 PWs) bands (ev): -12.8912 -12.8912 -12.8627 -12.8627 -11.1031 -11.1031 -10.6237 -10.6237 -9.5872 -9.5872 -9.5225 -9.5225 -3.5733 -3.5733 -3.5066 -3.5066 -2.2664 -2.2664 -1.4528 -1.4528 0.4996 0.4996 0.5582 0.5582 0.6417 0.6417 0.9535 0.9535 1.2203 1.2203 1.6452 1.6452 1.7802 1.7802 1.8059 1.8059 3.0027 3.0027 3.0588 3.0588 3.5743 3.5743 3.6927 3.6927 4.2133 4.2133 4.2638 4.2638 8.9072 8.9072 8.9315 8.9315 10.2867 10.2867 10.5559 10.5559 10.8992 10.8992 k =-0.5000 0.3079 0.4492 ( 4914 PWs) bands (ev): -12.8951 -12.8951 -12.8597 -12.8597 -11.1566 -11.1566 -10.5585 -10.5585 -9.5954 -9.5954 -9.5148 -9.5148 -3.5663 -3.5663 -3.4831 -3.4831 -2.3755 -2.3755 -1.3619 -1.3619 0.4492 0.4492 0.5277 0.5277 0.6256 0.6256 1.0041 1.0041 1.1807 1.1807 1.7009 1.7009 1.7695 1.7695 1.8044 1.8044 2.9831 2.9831 3.0588 3.0588 3.5702 3.5702 3.7124 3.7124 4.2128 4.2128 4.2749 4.2749 8.9320 8.9320 8.9634 8.9634 10.2253 10.2253 10.5597 10.5597 10.8676 10.8676 k =-0.5000 0.3079 0.4319 ( 4922 PWs) bands (ev): -12.8992 -12.8992 -12.8569 -12.8569 -11.2083 -11.2083 -10.4924 -10.4924 -9.6036 -9.6036 -9.5074 -9.5074 -3.5559 -3.5559 -3.4564 -3.4564 -2.4855 -2.4855 -1.2740 -1.2740 0.3998 0.3998 0.4930 0.4930 0.6031 0.6031 1.0352 1.0352 1.1622 1.1622 1.7433 1.7433 1.7696 1.7696 1.8047 1.8047 2.9613 2.9613 3.0590 3.0590 3.5681 3.5681 3.7311 3.7311 4.2137 4.2137 4.2868 4.2868 8.9620 8.9620 9.0012 9.0012 10.1597 10.1597 10.5582 10.5582 10.8398 10.8398 k =-0.5000 0.3079 0.4146 ( 4940 PWs) bands (ev): -12.9032 -12.9032 -12.8542 -12.8542 -11.2584 -11.2584 -10.4257 -10.4257 -9.6116 -9.6116 -9.5001 -9.5001 -3.5423 -3.5423 -3.4264 -3.4264 -2.5958 -2.5958 -1.1893 -1.1893 0.3519 0.3519 0.4543 0.4543 0.5739 0.5739 1.0262 1.0262 1.1854 1.1854 1.7362 1.7362 1.7976 1.7976 1.8265 1.8265 2.9377 2.9377 3.0598 3.0598 3.5672 3.5672 3.7482 3.7482 4.2160 4.2160 4.2994 4.2994 8.9967 8.9967 9.0446 9.0446 10.0908 10.0908 10.5522 10.5522 10.8159 10.8159 k =-0.5000 0.3079 0.3974 ( 4940 PWs) bands (ev): -12.9073 -12.9073 -12.8517 -12.8517 -11.3067 -11.3067 -10.3584 -10.3584 -9.6196 -9.6196 -9.4931 -9.4931 -3.5253 -3.5253 -3.3934 -3.3934 -2.7064 -2.7064 -1.1078 -1.1078 0.3056 0.3056 0.4115 0.4115 0.5377 0.5377 0.9933 0.9933 1.2338 1.2338 1.7210 1.7210 1.8022 1.8022 1.8804 1.8804 2.9132 2.9132 3.0615 3.0615 3.5672 3.5672 3.7633 3.7633 4.2197 4.2197 4.3125 4.3125 9.0356 9.0356 9.0931 9.0931 10.0193 10.0193 10.5426 10.5426 10.7963 10.7963 k =-0.5000 0.3079 0.3801 ( 4936 PWs) bands (ev): -12.9114 -12.9114 -12.8493 -12.8493 -11.3532 -11.3532 -10.2908 -10.2908 -9.6274 -9.6274 -9.4863 -9.4863 -3.5052 -3.5052 -3.3573 -3.3573 -2.8168 -2.8168 -1.0297 -1.0297 0.2609 0.2609 0.3648 0.3648 0.4946 0.4946 0.9542 0.9542 1.2897 1.2897 1.7045 1.7045 1.8066 1.8066 1.9371 1.9371 2.8881 2.8881 3.0641 3.0641 3.5674 3.5674 3.7761 3.7761 4.2247 4.2247 4.3261 4.3261 9.0780 9.0780 9.1462 9.1462 9.9461 9.9461 10.5300 10.5300 10.7813 10.7813 k =-0.5000 0.3079 0.3628 ( 4934 PWs) bands (ev): -12.9155 -12.9155 -12.8470 -12.8470 -11.3979 -11.3979 -10.2229 -10.2229 -9.6351 -9.6351 -9.4797 -9.4797 -3.4820 -3.4820 -3.3182 -3.3182 -2.9267 -2.9267 -0.9550 -0.9550 0.2178 0.2178 0.3140 0.3140 0.4451 0.4451 0.9141 0.9141 1.3476 1.3476 1.6875 1.6875 1.8131 1.8131 1.9939 1.9939 2.8632 2.8632 3.0678 3.0678 3.5676 3.5676 3.7863 3.7863 4.2311 4.2311 4.3401 4.3401 9.1232 9.1232 9.2035 9.2035 9.8716 9.8716 10.5150 10.5150 10.7713 10.7713 k =-0.5000 0.3079 0.3455 ( 4936 PWs) bands (ev): -12.9195 -12.9195 -12.8450 -12.8450 -11.4407 -11.4407 -10.1550 -10.1550 -9.6426 -9.6426 -9.4734 -9.4734 -3.4558 -3.4558 -3.2764 -3.2764 -3.0357 -3.0357 -0.8837 -0.8837 0.1764 0.1764 0.2595 0.2595 0.3894 0.3894 0.8744 0.8744 1.4058 1.4058 1.6704 1.6704 1.8221 1.8221 2.0502 2.0502 2.8387 2.8387 3.0726 3.0726 3.5673 3.5673 3.7938 3.7938 4.2386 4.2386 4.3543 4.3543 9.1706 9.1706 9.2644 9.2644 9.7967 9.7967 10.4983 10.4983 10.7664 10.7664 k =-0.5000 0.3079 0.3283 ( 4930 PWs) bands (ev): -12.9235 -12.9235 -12.8430 -12.8430 -11.4816 -11.4816 -10.0872 -10.0872 -9.6499 -9.6499 -9.4673 -9.4673 -3.4268 -3.4268 -3.2319 -3.2319 -3.1435 -3.1435 -0.8160 -0.8160 0.1366 0.1366 0.2014 0.2014 0.3283 0.3283 0.8359 0.8359 1.4635 1.4635 1.6536 1.6536 1.8335 1.8335 2.1059 2.1059 2.8151 2.8151 3.0785 3.0785 3.5664 3.5664 3.7983 3.7983 4.2473 4.2473 4.3687 4.3687 9.2193 9.2193 9.3282 9.3282 9.7219 9.7219 10.4804 10.4804 10.7670 10.7670 k =-0.5000 0.3079 0.3110 ( 4930 PWs) bands (ev): -12.9274 -12.9274 -12.8412 -12.8412 -11.5205 -11.5205 -10.0199 -10.0199 -9.6570 -9.6570 -9.4615 -9.4615 -3.3951 -3.3951 -3.2498 -3.2498 -3.1847 -3.1847 -0.7519 -0.7519 0.0977 0.0977 0.1404 0.1404 0.2626 0.2626 0.7987 0.7987 1.5198 1.5198 1.6376 1.6376 1.8473 1.8473 2.1606 2.1606 2.7925 2.7925 3.0853 3.0853 3.5647 3.5647 3.8000 3.8000 4.2569 4.2569 4.3831 4.3831 9.2687 9.2687 9.3944 9.3944 9.6477 9.6477 10.4616 10.4616 10.7735 10.7735 k =-0.5000 0.3079 0.2937 ( 4924 PWs) bands (ev): -12.9313 -12.9313 -12.8396 -12.8396 -11.5575 -11.5575 -9.9532 -9.9532 -9.6638 -9.6638 -9.4560 -9.4560 -3.3621 -3.3621 -3.3528 -3.3528 -3.1352 -3.1352 -0.6914 -0.6914 0.0568 0.0568 0.0798 0.0798 0.1931 0.1931 0.7631 0.7631 1.5730 1.5730 1.6243 1.6243 1.8632 1.8632 2.2141 2.2141 2.7712 2.7712 3.0930 3.0930 3.5622 3.5622 3.7987 3.7987 4.2675 4.2675 4.3974 4.3974 9.3179 9.3179 9.4623 9.4623 9.5747 9.5747 10.4423 10.4423 10.7860 10.7860 k =-0.5000 0.3079 0.2764 ( 4914 PWs) bands (ev): -12.9350 -12.9350 -12.8381 -12.8381 -11.5925 -11.5925 -9.8874 -9.8874 -9.6703 -9.6703 -9.4508 -9.4508 -3.4562 -3.4562 -3.3240 -3.3240 -3.0835 -3.0835 -0.6344 -0.6344 -0.0002 -0.0002 0.0333 0.0333 0.1213 0.1213 0.7292 0.7292 1.5984 1.5984 1.6380 1.6380 1.8809 1.8809 2.2663 2.2663 2.7512 2.7512 3.1015 3.1015 3.5589 3.5589 3.7947 3.7947 4.2788 4.2788 4.4115 4.4115 9.3662 9.3662 9.5032 9.5032 9.5315 9.5315 10.4228 10.4228 10.8047 10.8047 k =-0.5000 0.3079 0.2592 ( 4912 PWs) bands (ev): -12.9386 -12.9386 -12.8367 -12.8367 -11.6255 -11.6255 -9.8228 -9.8228 -9.6765 -9.6765 -9.4458 -9.4458 -3.5554 -3.5554 -3.2854 -3.2854 -3.0297 -3.0297 -0.5811 -0.5811 -0.0690 -0.0690 -0.0054 -0.0054 0.0503 0.0503 0.6971 0.6971 1.5884 1.5884 1.6863 1.6863 1.9002 1.9002 2.3169 2.3169 2.7327 2.7327 3.1108 3.1108 3.5548 3.5548 3.7879 3.7879 4.2906 4.2906 4.4254 4.4254 9.4121 9.4121 9.4349 9.4349 9.6009 9.6009 10.4035 10.4035 10.8297 10.8297 k =-0.5000 0.3079 0.2419 ( 4912 PWs) bands (ev): -12.9421 -12.9421 -12.8354 -12.8354 -11.6564 -11.6564 -9.7598 -9.7598 -9.6825 -9.6825 -9.4412 -9.4412 -3.6514 -3.6514 -3.2449 -3.2449 -2.9742 -2.9742 -0.5315 -0.5315 -0.1414 -0.1414 -0.0547 -0.0547 -0.0083 -0.0083 0.6669 0.6669 1.5762 1.5762 1.7357 1.7357 1.9207 1.9207 2.3656 2.3656 2.7157 2.7157 3.1207 3.1207 3.5500 3.5500 3.7786 3.7786 4.3028 4.3028 4.4389 4.4389 9.3665 9.3665 9.4582 9.4582 9.6703 9.6703 10.3846 10.3846 10.8608 10.8608 k =-0.5000 0.3079 0.2246 ( 4918 PWs) bands (ev): -12.9454 -12.9454 -12.8343 -12.8343 -11.6853 -11.6853 -9.6990 -9.6990 -9.6875 -9.6875 -9.4369 -9.4369 -3.7437 -3.7437 -3.2029 -3.2029 -2.9172 -2.9172 -0.4855 -0.4855 -0.2157 -0.2157 -0.1239 -0.1239 -0.0454 -0.0454 0.6385 0.6385 1.5646 1.5646 1.7833 1.7833 1.9421 1.9421 2.4123 2.4123 2.7001 2.7001 3.1312 3.1312 3.5446 3.5446 3.7669 3.7669 4.3153 4.3153 4.4519 4.4519 9.3026 9.3026 9.5001 9.5001 9.7389 9.7389 10.3662 10.3662 10.8981 10.8981 k =-0.5000 0.3079 0.2073 ( 4922 PWs) bands (ev): -12.9485 -12.9485 -12.8333 -12.8333 -11.7121 -11.7121 -9.6935 -9.6935 -9.6393 -9.6393 -9.4328 -9.4328 -3.8320 -3.8320 -3.1597 -3.1597 -2.8591 -2.8591 -0.4436 -0.4436 -0.2907 -0.2907 -0.1996 -0.1996 -0.0739 -0.0739 0.6120 0.6120 1.5540 1.5540 1.8284 1.8284 1.9639 1.9639 2.4566 2.4566 2.6860 2.6860 3.1422 3.1422 3.5388 3.5388 3.7532 3.7532 4.3277 4.3277 4.4643 4.4643 9.2418 9.2418 9.5391 9.5391 9.8062 9.8062 10.3486 10.3486 10.9409 10.9409 k =-0.5000 0.3079 0.1900 ( 4914 PWs) bands (ev): -12.9515 -12.9515 -12.8323 -12.8323 -11.7368 -11.7368 -9.6984 -9.6984 -9.5829 -9.5829 -9.4291 -9.4291 -3.9157 -3.9157 -3.1159 -3.1159 -2.8002 -2.8002 -0.4086 -0.4086 -0.3630 -0.3630 -0.2759 -0.2759 -0.0987 -0.0987 0.5875 0.5875 1.5444 1.5444 1.8710 1.8710 1.9859 1.9859 2.4985 2.4985 2.6734 2.6734 3.1537 3.1537 3.5327 3.5327 3.7378 3.7378 4.3401 4.3401 4.4761 4.4761 9.1845 9.1845 9.5749 9.5749 9.8716 9.8716 10.3319 10.3319 10.9889 10.9889 k =-0.5000 0.3079 0.1728 ( 4922 PWs) bands (ev): -12.9542 -12.9542 -12.8315 -12.8315 -11.7595 -11.7595 -9.7029 -9.7029 -9.5295 -9.5295 -9.4256 -9.4256 -3.9944 -3.9944 -3.0719 -3.0719 -2.7410 -2.7410 -0.4468 -0.4468 -0.3693 -0.3693 -0.3472 -0.3472 -0.1208 -0.1208 0.5651 0.5651 1.5358 1.5358 1.9105 1.9105 2.0076 2.0076 2.5375 2.5375 2.6622 2.6622 3.1654 3.1654 3.5265 3.5265 3.7209 3.7209 4.3520 4.3520 4.4872 4.4872 9.1311 9.1311 9.6072 9.6072 9.9345 9.9345 10.3163 10.3163 11.0412 11.0412 k =-0.5000 0.3079 0.1555 ( 4922 PWs) bands (ev): -12.9568 -12.9568 -12.8308 -12.8308 -11.7800 -11.7800 -9.7070 -9.7070 -9.4797 -9.4797 -9.4222 -9.4222 -4.0675 -4.0675 -3.0282 -3.0282 -2.6822 -2.6822 -0.5198 -0.5198 -0.4265 -0.4265 -0.3327 -0.3327 -0.1407 -0.1407 0.5446 0.5446 1.5283 1.5283 1.9470 1.9470 2.0287 2.0287 2.5735 2.5735 2.6524 2.6524 3.1774 3.1774 3.5202 3.5202 3.7029 3.7029 4.3634 4.3634 4.4975 4.4975 9.0819 9.0819 9.6362 9.6362 9.9944 9.9944 10.3019 10.3019 11.0971 11.0971 k =-0.5000 0.3079 0.1382 ( 4918 PWs) bands (ev): -12.9591 -12.9591 -12.8302 -12.8302 -11.7983 -11.7983 -9.7108 -9.7108 -9.4355 -9.4355 -9.4173 -9.4173 -4.1347 -4.1347 -2.9856 -2.9856 -2.6243 -2.6243 -0.5919 -0.5919 -0.4961 -0.4961 -0.3049 -0.3049 -0.1584 -0.1584 0.5263 0.5263 1.5217 1.5217 1.9801 1.9801 2.0488 2.0488 2.6061 2.6061 2.6442 2.6442 3.1895 3.1895 3.5142 3.5142 3.6843 3.6843 4.3742 4.3742 4.5068 4.5068 9.0371 9.0371 9.6617 9.6617 10.0505 10.0505 10.2889 10.2889 11.1552 11.1552 k =-0.5000 0.3079 0.1209 ( 4916 PWs) bands (ev): -12.9611 -12.9611 -12.8297 -12.8297 -11.8146 -11.8146 -9.7141 -9.7141 -9.4194 -9.4194 -9.3888 -9.3888 -4.1953 -4.1953 -2.9448 -2.9448 -2.5683 -2.5683 -0.6610 -0.6610 -0.5616 -0.5616 -0.2800 -0.2800 -0.1739 -0.1739 0.5100 0.5100 1.5161 1.5161 2.0098 2.0098 2.0676 2.0676 2.6303 2.6303 2.6421 2.6421 3.2016 3.2016 3.5084 3.5084 3.6656 3.6656 4.3840 4.3840 4.5153 4.5153 8.9969 8.9969 9.6839 9.6839 10.1023 10.1023 10.2774 10.2774 11.2141 11.2141 k =-0.5000 0.3079 0.1037 ( 4916 PWs) bands (ev): -12.9629 -12.9629 -12.8292 -12.8292 -11.8287 -11.8287 -9.7170 -9.7170 -9.4165 -9.4165 -9.3520 -9.3520 -4.2490 -4.2490 -2.9066 -2.9066 -2.5153 -2.5153 -0.7258 -0.7258 -0.6218 -0.6218 -0.2583 -0.2583 -0.1874 -0.1874 0.4958 0.4958 1.5113 1.5113 2.0358 2.0358 2.0848 2.0848 2.6284 2.6284 2.6637 2.6637 3.2134 3.2134 3.5031 3.5031 3.6472 3.6472 4.3929 4.3929 4.5227 4.5227 8.9617 8.9617 9.7029 9.7029 10.1489 10.1489 10.2676 10.2676 11.2715 11.2715 k =-0.5000 0.3079 0.0864 ( 4922 PWs) bands (ev): -12.9645 -12.9645 -12.8288 -12.8288 -11.8406 -11.8406 -9.7195 -9.7195 -9.4145 -9.4145 -9.3197 -9.3197 -4.2952 -4.2952 -2.8720 -2.8720 -2.4663 -2.4663 -0.7848 -0.7848 -0.6755 -0.6755 -0.2400 -0.2400 -0.1987 -0.1987 0.4838 0.4838 1.5074 1.5074 2.0580 2.0580 2.0999 2.0999 2.6236 2.6236 2.6857 2.6857 3.2246 3.2246 3.4984 3.4984 3.6298 3.6298 4.4006 4.4006 4.5291 4.5291 8.9315 8.9315 9.7187 9.7187 10.1891 10.1891 10.2602 10.2602 11.3107 11.3107 k =-0.5000 0.3079 0.0691 ( 4918 PWs) bands (ev): -12.9657 -12.9657 -12.8285 -12.8285 -11.8504 -11.8504 -9.7215 -9.7215 -9.4129 -9.4129 -9.2926 -9.2926 -4.3337 -4.3337 -2.8419 -2.8419 -2.4230 -2.4230 -0.8365 -0.8365 -0.7215 -0.7215 -0.2251 -0.2251 -0.2079 -0.2079 0.4739 0.4739 1.5042 1.5042 2.0763 2.0763 2.1127 2.1127 2.6195 2.6195 2.7040 2.7040 3.2348 3.2348 3.4944 3.4944 3.6141 3.6141 4.4071 4.4071 4.5343 4.5343 8.9066 8.9066 9.7315 9.7315 10.2201 10.2201 10.2574 10.2574 11.2994 11.2994 k =-0.5000 0.3079 0.0518 ( 4930 PWs) bands (ev): -12.9667 -12.9667 -12.8283 -12.8283 -11.8580 -11.8580 -9.7231 -9.7231 -9.4118 -9.4118 -9.2711 -9.2711 -4.3640 -4.3640 -2.8172 -2.8172 -2.3868 -2.3868 -0.8793 -0.8793 -0.7587 -0.7587 -0.2166 -0.2166 -0.2119 -0.2119 0.4662 0.4662 1.5018 1.5018 2.0907 2.0907 2.1230 2.1230 2.6163 2.6163 2.7185 2.7185 3.2436 3.2436 3.4911 3.4911 3.6007 3.6007 4.4122 4.4122 4.5385 4.5385 8.8871 8.8871 9.7414 9.7414 10.2334 10.2334 10.2668 10.2668 11.2846 11.2846 k =-0.5000 0.3079 0.0346 ( 4928 PWs) bands (ev): -12.9675 -12.9675 -12.8281 -12.8281 -11.8634 -11.8634 -9.7242 -9.7242 -9.4109 -9.4109 -9.2556 -9.2556 -4.3859 -4.3859 -2.7988 -2.7988 -2.3595 -2.3595 -0.9114 -0.9114 -0.7861 -0.7861 -0.2208 -0.2208 -0.2045 -0.2045 0.4607 0.4607 1.5001 1.5001 2.1010 2.1010 2.1306 2.1306 2.6141 2.6141 2.7289 2.7289 3.2505 3.2505 3.4888 3.4888 3.5904 3.5904 4.4159 4.4159 4.5415 4.5415 8.8731 8.8731 9.7484 9.7484 10.2340 10.2340 10.2831 10.2831 11.2731 11.2731 k =-0.5000 0.3079 0.0173 ( 4924 PWs) bands (ev): -12.9679 -12.9679 -12.8280 -12.8280 -11.8667 -11.8667 -9.7249 -9.7249 -9.4104 -9.4104 -9.2462 -9.2462 -4.3991 -4.3991 -2.7875 -2.7875 -2.3424 -2.3424 -0.9314 -0.9314 -0.8029 -0.8029 -0.2238 -0.2238 -0.1996 -0.1996 0.4574 0.4574 1.4991 1.4991 2.1072 2.1072 2.1352 2.1352 2.6127 2.6127 2.7352 2.7352 3.2548 3.2548 3.4873 3.4873 3.5839 3.5839 4.4182 4.4182 4.5433 4.5433 8.8647 8.8647 9.7526 9.7526 10.2329 10.2329 10.2946 10.2946 11.2659 11.2659 k =-0.5000 0.3079 0.0000 ( 4924 PWs) bands (ev): -12.9680 -12.9680 -12.8280 -12.8280 -11.8678 -11.8678 -9.7251 -9.7251 -9.4103 -9.4103 -9.2430 -9.2430 -4.4035 -4.4035 -2.7837 -2.7837 -2.3365 -2.3365 -0.9382 -0.9382 -0.8085 -0.8085 -0.2248 -0.2248 -0.1980 -0.1980 0.4562 0.4562 1.4987 1.4987 2.1093 2.1093 2.1367 2.1367 2.6123 2.6123 2.7373 2.7373 3.2564 3.2564 3.4869 3.4869 3.5817 3.5817 4.4189 4.4189 4.5439 4.5439 8.8618 8.8618 9.7539 9.7539 10.2323 10.2323 10.2986 10.2986 11.2634 11.2634 k = 0.0000 0.0000 0.5356 ( 4868 PWs) bands (ev): -13.0623 -13.0623 -13.0623 -13.0623 -10.5027 -10.5027 -10.5027 -10.5027 -9.4892 -9.4892 -9.4892 -9.4892 -4.2930 -4.2930 -4.2930 -4.2930 -1.3591 -1.3591 -1.3591 -1.3591 0.1384 0.1384 0.1384 0.1384 0.2537 0.2537 0.2537 0.2537 1.6587 1.6587 1.6587 1.6587 2.1150 2.1150 2.1150 2.1150 3.3559 3.3559 3.3559 3.3559 4.1108 4.1108 4.1108 4.1108 4.2261 4.2261 4.2261 4.2261 8.8611 8.8611 8.8611 8.8611 9.3808 9.3808 9.3808 9.3808 11.4950 11.4950 k =-0.0147 0.0091 0.5356 ( 4876 PWs) bands (ev): -13.0620 -13.0620 -13.0619 -13.0619 -10.5035 -10.5035 -10.5034 -10.5034 -9.4895 -9.4895 -9.4892 -9.4892 -4.2921 -4.2921 -4.2915 -4.2915 -1.3601 -1.3601 -1.3596 -1.3596 0.1352 0.1352 0.1421 0.1421 0.2525 0.2525 0.2586 0.2586 1.6568 1.6568 1.6578 1.6578 2.1156 2.1156 2.1165 2.1165 3.3547 3.3547 3.3557 3.3557 4.1023 4.1023 4.1061 4.1061 4.2289 4.2289 4.2319 4.2319 8.8627 8.8627 8.8650 8.8650 9.3790 9.3790 9.3813 9.3813 11.4954 11.4954 k =-0.0294 0.0181 0.5356 ( 4884 PWs) bands (ev): -13.0610 -13.0610 -13.0609 -13.0609 -10.5060 -10.5060 -10.5057 -10.5057 -9.4899 -9.4899 -9.4894 -9.4894 -4.2887 -4.2887 -4.2875 -4.2875 -1.3627 -1.3627 -1.3616 -1.3616 0.1328 0.1328 0.1458 0.1458 0.2554 0.2554 0.2668 0.2668 1.6520 1.6520 1.6540 1.6540 2.1181 2.1181 2.1199 2.1199 3.3522 3.3522 3.3542 3.3542 4.0838 4.0838 4.0901 4.0901 4.2386 4.2386 4.2434 4.2434 8.8697 8.8697 8.8743 8.8743 9.3759 9.3759 9.3804 9.3804 11.4986 11.4986 k =-0.0441 0.0272 0.5356 ( 4884 PWs) bands (ev): -13.0593 -13.0593 -13.0591 -13.0591 -10.5100 -10.5100 -10.5096 -10.5096 -9.4905 -9.4905 -9.4897 -9.4897 -4.2829 -4.2829 -4.2811 -4.2811 -1.3667 -1.3667 -1.3651 -1.3651 0.1314 0.1314 0.1497 0.1497 0.2624 0.2624 0.2782 0.2782 1.6445 1.6445 1.6475 1.6475 2.1224 2.1224 2.1251 2.1251 3.3485 3.3485 3.3513 3.3513 4.0589 4.0589 4.0667 4.0667 4.2513 4.2513 4.2569 4.2569 8.8819 8.8819 8.8889 8.8889 9.3716 9.3716 9.3784 9.3784 11.5043 11.5043 k =-0.0588 0.0362 0.5356 ( 4888 PWs) bands (ev): -13.0569 -13.0569 -13.0566 -13.0566 -10.5156 -10.5156 -10.5150 -10.5150 -9.4913 -9.4913 -9.4903 -9.4903 -4.2747 -4.2747 -4.2723 -4.2723 -1.3723 -1.3723 -1.3702 -1.3702 0.1315 0.1315 0.1536 0.1536 0.2734 0.2734 0.2923 0.2923 1.6343 1.6343 1.6383 1.6383 2.1281 2.1281 2.1318 2.1318 3.3435 3.3435 3.3473 3.3473 4.0301 4.0301 4.0388 4.0388 4.2645 4.2645 4.2704 4.2704 8.8989 8.8989 8.9083 8.9083 9.3663 9.3663 9.3756 9.3756 11.5123 11.5123 k =-0.0735 0.0453 0.5356 ( 4892 PWs) bands (ev): -13.0538 -13.0538 -13.0535 -13.0535 -10.5226 -10.5226 -10.5219 -10.5219 -9.4923 -9.4923 -9.4910 -9.4910 -4.2641 -4.2641 -4.2612 -4.2612 -1.3794 -1.3794 -1.3769 -1.3769 0.1332 0.1332 0.1580 0.1580 0.2880 0.2880 0.3090 0.3090 1.6218 1.6218 1.6268 1.6268 2.1350 2.1350 2.1396 2.1396 3.3374 3.3374 3.3421 3.3421 3.9987 3.9987 4.0081 4.0081 4.2768 4.2768 4.2827 4.2827 8.9200 8.9200 8.9320 8.9320 9.3604 9.3604 9.3724 9.3724 11.5222 11.5222 k =-0.0882 0.0543 0.5356 ( 4880 PWs) bands (ev): -13.0501 -13.0501 -13.0497 -13.0497 -10.5311 -10.5311 -10.5303 -10.5303 -9.4934 -9.4934 -9.4920 -9.4920 -4.2512 -4.2512 -4.2477 -4.2477 -1.3879 -1.3879 -1.3850 -1.3850 0.1366 0.1366 0.1631 0.1631 0.3060 0.3060 0.3281 0.3281 1.6069 1.6069 1.6130 1.6130 2.1425 2.1425 2.1481 2.1481 3.3303 3.3303 3.3358 3.3358 3.9655 3.9655 3.9754 3.9754 4.2877 4.2877 4.2936 4.2936 8.9444 8.9444 8.9593 8.9593 9.3547 9.3547 9.3695 9.3695 11.5336 11.5336 k =-0.1029 0.0634 0.5356 ( 4872 PWs) bands (ev): -13.0458 -13.0458 -13.0452 -13.0452 -10.5409 -10.5409 -10.5399 -10.5399 -9.4948 -9.4948 -9.4932 -9.4932 -4.2360 -4.2360 -4.2320 -4.2320 -1.3979 -1.3979 -1.3947 -1.3947 0.1417 0.1417 0.1691 0.1691 0.3271 0.3271 0.3495 0.3495 1.5899 1.5899 1.5972 1.5972 2.1503 2.1503 2.1568 2.1568 3.3225 3.3225 3.3287 3.3287 3.9312 3.9312 3.9415 3.9415 4.2969 4.2969 4.3027 4.3027 8.9709 8.9709 8.9888 8.9888 9.3499 9.3499 9.3679 9.3679 11.5459 11.5459 k =-0.1176 0.0725 0.5356 ( 4870 PWs) bands (ev): -13.0408 -13.0408 -13.0402 -13.0402 -10.5519 -10.5519 -10.5508 -10.5508 -9.4964 -9.4964 -9.4946 -9.4946 -4.2186 -4.2186 -4.2141 -4.2141 -1.4093 -1.4093 -1.4059 -1.4059 0.1486 0.1486 0.1762 0.1762 0.3511 0.3511 0.3732 0.3732 1.5709 1.5709 1.5794 1.5794 2.1577 2.1577 2.1654 2.1654 3.3140 3.3140 3.3210 3.3210 3.8963 3.8963 3.9069 3.9069 4.3043 4.3043 4.3100 4.3100 8.9980 8.9980 9.0191 9.0191 9.3476 9.3476 9.3687 9.3687 11.5585 11.5585 k =-0.1324 0.0815 0.5356 ( 4870 PWs) bands (ev): -13.0353 -13.0353 -13.0346 -13.0346 -10.5640 -10.5640 -10.5629 -10.5629 -9.4982 -9.4982 -9.4963 -9.4963 -4.1991 -4.1991 -4.1940 -4.1940 -1.4221 -1.4221 -1.4186 -1.4186 0.1572 0.1572 0.1845 0.1845 0.3776 0.3776 0.3991 0.3991 1.5501 1.5501 1.5599 1.5599 2.1644 2.1644 2.1732 2.1732 3.3052 3.3052 3.3128 3.3128 3.8612 3.8612 3.8720 3.8720 4.3100 4.3100 4.3155 4.3155 9.0238 9.0238 9.0478 9.0478 9.3495 9.3495 9.3738 9.3738 11.5706 11.5706 k =-0.1471 0.0906 0.5356 ( 4882 PWs) bands (ev): -13.0292 -13.0292 -13.0285 -13.0285 -10.5773 -10.5773 -10.5760 -10.5760 -9.5002 -9.5002 -9.4981 -9.4981 -4.1775 -4.1775 -4.1720 -4.1720 -1.4363 -1.4363 -1.4327 -1.4327 0.1675 0.1675 0.1940 0.1940 0.4067 0.4067 0.4272 0.4272 1.5274 1.5274 1.5387 1.5387 2.1699 2.1699 2.1798 2.1798 3.2962 3.2962 3.3044 3.3044 3.8264 3.8264 3.8373 3.8373 4.3139 4.3139 4.3194 4.3194 9.0461 9.0461 9.0722 9.0722 9.3583 9.3583 9.3848 9.3848 11.5815 11.5815 k =-0.1618 0.0996 0.5356 ( 4882 PWs) bands (ev): -13.0227 -13.0227 -13.0219 -13.0219 -10.5914 -10.5914 -10.5901 -10.5901 -9.5023 -9.5023 -9.5002 -9.5002 -4.1540 -4.1540 -4.1481 -4.1481 -1.4518 -1.4518 -1.4481 -1.4481 0.1793 0.1793 0.2047 0.2047 0.4382 0.4382 0.4575 0.4575 1.5031 1.5031 1.5158 1.5158 2.1737 2.1737 2.1848 2.1848 3.2874 3.2874 3.2960 3.2960 3.7923 3.7923 3.8031 3.8031 4.3163 4.3163 4.3217 4.3217 9.0628 9.0628 9.0896 9.0896 9.3763 9.3763 9.4038 9.4038 11.5903 11.5903 k =-0.1765 0.1087 0.5356 ( 4890 PWs) bands (ev): -13.0157 -13.0157 -13.0149 -13.0149 -10.6063 -10.6063 -10.6050 -10.6050 -9.5047 -9.5047 -9.5025 -9.5025 -4.1287 -4.1287 -4.1224 -4.1224 -1.4685 -1.4685 -1.4649 -1.4649 0.1925 0.1925 0.2165 0.2165 0.4719 0.4719 0.4900 0.4900 1.4772 1.4772 1.4915 1.4915 2.1754 2.1754 2.1877 2.1877 3.2790 3.2790 3.2878 3.2878 3.7592 3.7592 3.7699 3.7699 4.3172 4.3172 4.3226 4.3226 9.0728 9.0728 9.0985 9.0985 9.4046 9.4046 9.4314 9.4314 11.5964 11.5964 k =-0.1912 0.1177 0.5356 ( 4894 PWs) bands (ev): -13.0082 -13.0082 -13.0074 -13.0074 -10.6219 -10.6219 -10.6205 -10.6205 -9.5072 -9.5072 -9.5049 -9.5049 -4.1017 -4.1017 -4.0951 -4.0951 -1.4863 -1.4863 -1.4828 -1.4828 0.2069 0.2069 0.2294 0.2294 0.5077 0.5077 0.5246 0.5246 1.4498 1.4498 1.4658 1.4658 2.1748 2.1748 2.1883 2.1883 3.2710 3.2710 3.2800 3.2800 3.7275 3.7275 3.7380 3.7380 4.3168 4.3168 4.3222 4.3222 9.0761 9.0761 9.0996 9.0996 9.4425 9.4425 9.4675 9.4675 11.5991 11.5991 k =-0.2059 0.1268 0.5356 ( 4894 PWs) bands (ev): -13.0005 -13.0005 -12.9996 -12.9996 -10.6381 -10.6381 -10.6367 -10.6367 -9.5099 -9.5099 -9.5076 -9.5076 -4.0732 -4.0732 -4.0663 -4.0663 -1.5051 -1.5051 -1.5018 -1.5018 0.2225 0.2225 0.2433 0.2433 0.5455 0.5455 0.5614 0.5614 1.4210 1.4210 1.4388 1.4388 2.1715 2.1715 2.1863 2.1863 3.2637 3.2637 3.2727 3.2727 3.6975 3.6975 3.7077 3.7077 4.3152 4.3152 4.3205 4.3205 9.0736 9.0736 9.0944 9.0944 9.4880 9.4880 9.5108 9.5108 11.5977 11.5977 k =-0.2206 0.1358 0.5356 ( 4890 PWs) bands (ev): -12.9924 -12.9924 -12.9915 -12.9915 -10.6547 -10.6547 -10.6532 -10.6532 -9.5127 -9.5127 -9.5104 -9.5104 -4.0433 -4.0433 -4.0361 -4.0361 -1.5249 -1.5249 -1.5217 -1.5217 0.2391 0.2391 0.2582 0.2582 0.5849 0.5849 0.6002 0.6002 1.3909 1.3909 1.4106 1.4106 2.1655 2.1655 2.1814 2.1814 3.2569 3.2569 3.2658 3.2658 3.6696 3.6696 3.6795 3.6795 4.3125 4.3125 4.3179 4.3179 9.0667 9.0667 9.0849 9.0849 9.5389 9.5389 9.5597 9.5597 11.5920 11.5920 k =-0.2353 0.1449 0.5356 ( 4898 PWs) bands (ev): -12.9841 -12.9841 -12.9832 -12.9832 -10.6716 -10.6716 -10.6701 -10.6701 -9.5156 -9.5156 -9.5133 -9.5133 -4.0122 -4.0122 -4.0049 -4.0049 -1.5455 -1.5455 -1.5425 -1.5425 0.2565 0.2565 0.2738 0.2738 0.6257 0.6257 0.6408 0.6408 1.3597 1.3597 1.3814 1.3814 2.1566 2.1566 2.1737 2.1737 3.2505 3.2505 3.2591 3.2591 3.6442 3.6442 3.6536 3.6536 4.3089 4.3089 4.3143 4.3143 9.0565 9.0565 9.0724 9.0724 9.5937 9.5937 9.6128 9.6128 11.5816 11.5816 k =-0.2500 0.1540 0.5356 ( 4898 PWs) bands (ev): -12.9756 -12.9756 -12.9747 -12.9747 -10.6886 -10.6886 -10.6871 -10.6871 -9.5186 -9.5186 -9.5164 -9.5164 -3.9802 -3.9802 -3.9727 -3.9727 -1.5668 -1.5668 -1.5639 -1.5639 0.2747 0.2747 0.2903 0.2903 0.6675 0.6675 0.6832 0.6832 1.3276 1.3276 1.3514 1.3514 2.1449 2.1449 2.1633 2.1633 3.2441 3.2441 3.2523 3.2523 3.6217 3.6217 3.6306 3.6306 4.3045 4.3045 4.3099 4.3099 9.0441 9.0441 9.0581 9.0581 9.6511 9.6511 9.6690 9.6690 11.5666 11.5666 k =-0.2647 0.1630 0.5356 ( 4900 PWs) bands (ev): -12.9670 -12.9670 -12.9661 -12.9661 -10.7056 -10.7056 -10.7041 -10.7041 -9.5217 -9.5217 -9.5195 -9.5195 -3.9474 -3.9474 -3.9398 -3.9398 -1.5886 -1.5886 -1.5859 -1.5859 0.2936 0.2936 0.3075 0.3075 0.7101 0.7101 0.7269 0.7269 1.2948 1.2948 1.3209 1.3209 2.1307 2.1307 2.1501 2.1501 3.2372 3.2372 3.2449 3.2449 3.6025 3.6025 3.6109 3.6109 4.2995 4.2995 4.3049 4.3049 9.0302 9.0302 9.0425 9.0425 9.7101 9.7101 9.7272 9.7272 11.5472 11.5472 k =-0.2794 0.1721 0.5356 ( 4908 PWs) bands (ev): -12.9584 -12.9584 -12.9575 -12.9575 -10.7224 -10.7224 -10.7210 -10.7210 -9.5248 -9.5248 -9.5227 -9.5227 -3.9140 -3.9140 -3.9065 -3.9065 -1.6107 -1.6107 -1.6083 -1.6083 0.3130 0.3130 0.3254 0.3254 0.7527 0.7527 0.7714 0.7714 1.2620 1.2620 1.2905 1.2905 2.1140 2.1140 2.1345 2.1345 3.2293 3.2293 3.2365 3.2365 3.5869 3.5869 3.5949 3.5949 4.2940 4.2940 4.2994 4.2994 9.0155 9.0155 9.0264 9.0264 9.7701 9.7701 9.7868 9.7868 11.5236 11.5236 k =-0.2941 0.1811 0.5356 ( 4908 PWs) bands (ev): -12.9499 -12.9499 -12.9489 -12.9489 -10.7390 -10.7390 -10.7376 -10.7376 -9.5279 -9.5279 -9.5259 -9.5259 -3.8805 -3.8805 -3.8729 -3.8729 -1.6331 -1.6331 -1.6308 -1.6308 0.3328 0.3328 0.3440 0.3440 0.7947 0.7947 0.8160 0.8160 1.2296 1.2296 1.2609 1.2609 2.0951 2.0951 2.1167 2.1167 3.2200 3.2200 3.2265 3.2265 3.5752 3.5752 3.5828 3.5828 4.2880 4.2880 4.2935 4.2935 9.0002 9.0002 9.0100 9.0100 9.8306 9.8306 9.8470 9.8470 11.4962 11.4962 k =-0.3088 0.1902 0.5356 ( 4900 PWs) bands (ev): -12.9414 -12.9414 -12.9405 -12.9405 -10.7552 -10.7552 -10.7538 -10.7538 -9.5310 -9.5310 -9.5290 -9.5290 -3.8469 -3.8469 -3.8394 -3.8394 -1.6556 -1.6556 -1.6534 -1.6534 0.3531 0.3531 0.3633 0.3633 0.8348 0.8348 0.8592 0.8592 1.1989 1.1989 1.2332 1.2332 2.0744 2.0744 2.0969 2.0969 3.2088 3.2088 3.2149 3.2149 3.5675 3.5675 3.5748 3.5748 4.2819 4.2819 4.2873 4.2873 8.9849 8.9849 8.9937 8.9937 9.8912 9.8912 9.9075 9.9075 11.4654 11.4654 k =-0.3235 0.1992 0.5356 ( 4900 PWs) bands (ev): -12.9331 -12.9331 -12.9322 -12.9322 -10.7709 -10.7709 -10.7695 -10.7695 -9.5340 -9.5340 -9.5322 -9.5322 -3.8137 -3.8137 -3.8064 -3.8064 -1.6778 -1.6778 -1.6758 -1.6758 0.3737 0.3737 0.3833 0.3833 0.8710 0.8710 0.8990 0.8990 1.1721 1.1721 1.2095 1.2095 2.0520 2.0520 2.0754 2.0754 3.1957 3.1957 3.2014 3.2014 3.5636 3.5636 3.5707 3.5707 4.2756 4.2756 4.2809 4.2809 8.9697 8.9697 8.9777 8.9777 9.9514 9.9514 9.9678 9.9678 11.4317 11.4317 k =-0.3382 0.2083 0.5356 ( 4912 PWs) bands (ev): -12.9252 -12.9252 -12.9243 -12.9243 -10.7858 -10.7858 -10.7846 -10.7846 -9.5369 -9.5369 -9.5352 -9.5352 -3.7811 -3.7811 -3.7740 -3.7740 -1.6997 -1.6997 -1.6977 -1.6977 0.3946 0.3946 0.4041 0.4041 0.9001 0.9001 0.9310 0.9310 1.1531 1.1531 1.1928 1.1928 2.0284 2.0284 2.0525 2.0525 3.1809 3.1809 3.1863 3.1863 3.5631 3.5631 3.5699 3.5699 4.2693 4.2693 4.2745 4.2745 8.9550 8.9550 8.9623 8.9623 10.0111 10.0111 10.0276 10.0276 11.3956 11.3956 k =-0.3529 0.2174 0.5356 ( 4922 PWs) bands (ev): -12.9175 -12.9175 -12.9167 -12.9167 -10.8000 -10.8000 -10.7988 -10.7988 -9.5397 -9.5397 -9.5381 -9.5381 -3.7495 -3.7495 -3.7428 -3.7428 -1.7210 -1.7210 -1.7191 -1.7191 0.4159 0.4159 0.4255 0.4255 0.9177 0.9177 0.9487 0.9487 1.1484 1.1484 1.1873 1.1873 2.0036 2.0036 2.0283 2.0283 3.1648 3.1648 3.1700 3.1700 3.5654 3.5654 3.5720 3.5720 4.2631 4.2631 4.2682 4.2682 8.9410 8.9410 8.9475 8.9475 10.0698 10.0698 10.0864 10.0864 11.3575 11.3575 k =-0.3676 0.2264 0.5356 ( 4918 PWs) bands (ev): -12.9103 -12.9103 -12.9096 -12.9096 -10.8132 -10.8132 -10.8121 -10.8121 -9.5423 -9.5423 -9.5409 -9.5409 -3.7193 -3.7193 -3.7129 -3.7129 -1.7414 -1.7414 -1.7396 -1.7396 0.4376 0.4376 0.4476 0.4476 0.9208 0.9208 0.9478 0.9478 1.1622 1.1622 1.1959 1.1959 1.9782 1.9782 2.0032 2.0032 3.1480 3.1480 3.1529 3.1529 3.5699 3.5699 3.5761 3.5761 4.2571 4.2571 4.2620 4.2620 8.9278 8.9278 8.9337 8.9337 10.1273 10.1273 10.1439 10.1439 11.3181 11.3181 k =-0.3824 0.2355 0.5356 ( 4922 PWs) bands (ev): -12.9037 -12.9037 -12.9030 -12.9030 -10.8253 -10.8253 -10.8243 -10.8243 -9.5448 -9.5448 -9.5434 -9.5434 -3.6908 -3.6908 -3.6848 -3.6848 -1.7606 -1.7606 -1.7589 -1.7589 0.4597 0.4597 0.4704 0.4704 0.9100 0.9100 0.9322 0.9322 1.1904 1.1904 1.2178 1.2178 1.9522 1.9522 1.9773 1.9773 3.1311 3.1311 3.1356 3.1356 3.5759 3.5759 3.5818 3.5818 4.2515 4.2515 4.2561 4.2561 8.9156 8.9156 8.9208 8.9208 10.1832 10.1832 10.1998 10.1998 11.2778 11.2778 k =-0.3971 0.2445 0.5356 ( 4924 PWs) bands (ev): -12.8976 -12.8976 -12.8969 -12.8969 -10.8364 -10.8364 -10.8354 -10.8354 -9.5470 -9.5470 -9.5458 -9.5458 -3.6643 -3.6643 -3.6590 -3.6590 -1.7785 -1.7785 -1.7769 -1.7769 0.4823 0.4823 0.4937 0.4937 0.8894 0.8894 0.9084 0.9084 1.2260 1.2260 1.2484 1.2484 1.9260 1.9260 1.9509 1.9509 3.1145 3.1145 3.1187 3.1187 3.5828 3.5828 3.5882 3.5882 4.2463 4.2463 4.2506 4.2506 8.9045 8.9045 8.9091 8.9091 10.2371 10.2371 10.2534 10.2534 11.2375 11.2375 k =-0.4118 0.2536 0.5356 ( 4920 PWs) bands (ev): -12.8921 -12.8921 -12.8916 -12.8916 -10.8461 -10.8461 -10.8453 -10.8453 -9.5489 -9.5489 -9.5479 -9.5479 -3.6404 -3.6404 -3.6356 -3.6356 -1.7947 -1.7947 -1.7933 -1.7933 0.5054 0.5054 0.5175 0.5175 0.8633 0.8633 0.8809 0.8809 1.2641 1.2641 1.2835 1.2835 1.9002 1.9002 1.9243 1.9243 3.0990 3.0990 3.1027 3.1027 3.5900 3.5900 3.5948 3.5948 4.2417 4.2417 4.2455 4.2455 8.8948 8.8948 8.8987 8.8987 10.2884 10.2884 10.3042 10.3042 11.1978 11.1978 k =-0.4265 0.2626 0.5356 ( 4924 PWs) bands (ev): -12.8874 -12.8874 -12.8869 -12.8869 -10.8545 -10.8545 -10.8538 -10.8538 -9.5506 -9.5506 -9.5497 -9.5497 -3.6193 -3.6193 -3.6152 -3.6152 -1.8090 -1.8090 -1.8077 -1.8077 0.5290 0.5290 0.5417 0.5417 0.8346 0.8346 0.8516 0.8516 1.3020 1.3020 1.3194 1.3194 1.8752 1.8752 1.8980 1.8980 3.0850 3.0850 3.0882 3.0882 3.5970 3.5970 3.6011 3.6011 4.2376 4.2376 4.2410 4.2410 8.8863 8.8863 8.8897 8.8897 10.3363 10.3363 10.3512 10.3512 11.1600 11.1600 k =-0.4412 0.2717 0.5356 ( 4922 PWs) bands (ev): -12.8834 -12.8834 -12.8830 -12.8830 -10.8615 -10.8615 -10.8609 -10.8609 -9.5520 -9.5520 -9.5513 -9.5513 -3.6014 -3.6014 -3.5981 -3.5981 -1.8210 -1.8210 -1.8199 -1.8199 0.5529 0.5529 0.5661 0.5661 0.8054 0.8054 0.8219 0.8219 1.3378 1.3378 1.3534 1.3534 1.8520 1.8520 1.8726 1.8726 3.0729 3.0729 3.0755 3.0755 3.6034 3.6034 3.6067 3.6067 4.2343 4.2343 4.2371 4.2371 8.8794 8.8794 8.8821 8.8821 10.3798 10.3798 10.3933 10.3933 11.1252 11.1252 k =-0.4559 0.2808 0.5356 ( 4916 PWs) bands (ev): -12.8803 -12.8803 -12.8800 -12.8800 -10.8670 -10.8670 -10.8665 -10.8665 -9.5530 -9.5530 -9.5525 -9.5525 -3.5871 -3.5871 -3.5845 -3.5845 -1.8306 -1.8306 -1.8298 -1.8298 0.5768 0.5768 0.5900 0.5900 0.7771 0.7771 0.7927 0.7927 1.3698 1.3698 1.3830 1.3830 1.8318 1.8318 1.8493 1.8493 3.0632 3.0632 3.0652 3.0652 3.6088 3.6088 3.6114 3.6114 4.2317 4.2317 4.2339 4.2339 8.8740 8.8740 8.8760 8.8760 10.4175 10.4175 10.4288 10.4288 11.0954 11.0954 k =-0.4706 0.2898 0.5356 ( 4910 PWs) bands (ev): -12.8780 -12.8780 -12.8778 -12.8778 -10.8709 -10.8709 -10.8706 -10.8706 -9.5538 -9.5538 -9.5534 -9.5534 -3.5764 -3.5764 -3.5747 -3.5747 -1.8376 -1.8376 -1.8370 -1.8370 0.6000 0.6000 0.6122 0.6122 0.7516 0.7516 0.7654 0.7654 1.3960 1.3960 1.4059 1.4059 1.8164 1.8164 1.8293 1.8293 3.0561 3.0561 3.0574 3.0574 3.6130 3.6130 3.6147 3.6147 4.2299 4.2299 4.2314 4.2314 8.8702 8.8702 8.8716 8.8716 10.4474 10.4474 10.4557 10.4557 11.0725 11.0725 k =-0.4853 0.2989 0.5356 ( 4916 PWs) bands (ev): -12.8766 -12.8766 -12.8765 -12.8765 -10.8732 -10.8732 -10.8731 -10.8731 -9.5542 -9.5542 -9.5540 -9.5540 -3.5698 -3.5698 -3.5689 -3.5689 -1.8418 -1.8418 -1.8415 -1.8415 0.6203 0.6203 0.6288 0.6288 0.7331 0.7331 0.7424 0.7424 1.4142 1.4142 1.4197 1.4197 1.8076 1.8076 1.8145 1.8145 3.0519 3.0519 3.0526 3.0526 3.6157 3.6157 3.6166 3.6166 4.2290 4.2290 4.2298 4.2298 8.8681 8.8681 8.8687 8.8687 10.4676 10.4676 10.4720 10.4720 11.0587 11.0587 k =-0.5000 0.3079 0.5356 ( 4912 PWs) bands (ev): -12.8761 -12.8761 -12.8761 -12.8761 -10.8740 -10.8740 -10.8740 -10.8740 -9.5543 -9.5543 -9.5543 -9.5543 -3.5673 -3.5673 -3.5673 -3.5673 -1.8431 -1.8431 -1.8431 -1.8431 0.6323 0.6323 0.6323 0.6323 0.7291 0.7291 0.7291 0.7291 1.4225 1.4225 1.4225 1.4225 1.8069 1.8069 1.8069 1.8069 3.0507 3.0507 3.0507 3.0507 3.6170 3.6170 3.6170 3.6170 4.2290 4.2290 4.2290 4.2290 8.8676 8.8676 8.8676 8.8676 10.4761 10.4761 10.4761 10.4761 11.0556 11.0556 Writing output data file Ge2N2O.save init_run : 2.11s CPU 10.83s WALL ( 1 calls) electrons : 1034.66s CPU 1045.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.35s CPU 1.42s WALL ( 1 calls) Called by electrons: c_bands : 1034.63s CPU 1045.53s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.78s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.08s CPU 0.54s WALL ( 1 calls) newd : 0.14s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.19s WALL ( 358 calls) cegterg : 961.34s CPU 967.56s WALL ( 1099 calls) Called by sum_band: Called by *egterg: h_psi : 353.71s CPU 364.68s WALL ( 20433 calls) s_psi : 28.23s CPU 28.99s WALL ( 20433 calls) g_psi : 0.99s CPU 1.04s WALL ( 18976 calls) cdiaghg : 429.20s CPU 424.59s WALL ( 19334 calls) cegterg:over : 82.65s CPU 80.37s WALL ( 18976 calls) cegterg:upda : 19.51s CPU 24.77s WALL ( 18976 calls) cegterg:last : 16.65s CPU 17.56s WALL ( 2508 calls) Called by h_psi: h_psi:vloc : 275.85s CPU 285.57s WALL ( 20433 calls) h_psi:vnl : 77.37s CPU 77.94s WALL ( 20433 calls) add_vuspsi : 22.14s CPU 26.29s WALL ( 20433 calls) General routines calbec : 55.17s CPU 51.54s WALL ( 20433 calls) fft : 0.25s CPU 0.70s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 259.27s CPU 266.24s WALL ( 1634212 calls) interpolate : 0.14s CPU 0.17s WALL ( 4 calls) davcio : 0.02s CPU 4.05s WALL ( 716 calls) Parallel routines fft_scatter : 163.36s CPU 169.35s WALL ( 1634235 calls) PWSCF : 18m34.15s CPU 25m12.00s WALL This run was terminated on: 17:38: 6 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=