Program PWSCF v.5.1.1 starts on 24Nov2015 at 6:57: 2 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: ./Si2N2O.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 46 27 7 1622 711 111 Max 47 28 8 1627 725 116 Sum 2239 1303 379 77983 34509 5459 bravais-lattice index = 14 lattice parameter (alat) = 9.8406 a.u. unit-cell volume = 790.9364 (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)= 9.840577 celldm(2)= 1.000000 celldm(3)= 0.927909 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.447091 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.447091 0.894488 0.000000 ) a(3) = ( 0.000000 0.000000 0.927909 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.499829 -0.000000 ) b(2) = ( 0.000000 1.117958 -0.000000 ) b(3) = ( 0.000000 0.000000 1.077692 ) PseudoPot. # 1 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. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 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 ) ( 0.4639543 ) 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= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086380 0.0139745 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172760 0.0279489 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259141 0.0419234 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345521 0.0558979 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431901 0.0698724 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518281 0.0838468 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0604661 0.0978213 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691041 0.1117958 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777422 0.1257702 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0863802 0.1397447 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0950182 0.1537192 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1036562 0.1676936 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1122942 0.1816681 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1209322 0.1956426 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1295703 0.2096170 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1382083 0.2235915 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1468463 0.2375660 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1554843 0.2515404 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1641223 0.2655149 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1727604 0.2794894 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1813984 0.2934639 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1900364 0.3074383 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1986744 0.3214128 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2073124 0.3353873 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2159504 0.3493618 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2245884 0.3633362 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2332265 0.3773107 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2418645 0.3912852 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2505025 0.4052596 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2591405 0.4192341 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2677785 0.4332086 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2764166 0.4471830 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2850546 0.4611575 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2936926 0.4751320 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3023306 0.4891064 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3109686 0.5030809 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3196066 0.5170554 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3282447 0.5310298 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3368827 0.5450043 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3455207 0.5589788 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3455207 0.5589788 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3290673 0.5589788 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3126140 0.5589788 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2961606 0.5589788 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2797072 0.5589788 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2632539 0.5589788 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2468005 0.5589788 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2303471 0.5589788 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2138938 0.5589788 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1974404 0.5589788 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1809870 0.5589788 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1645337 0.5589788 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1480803 0.5589788 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1316269 0.5589788 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1151736 0.5589788 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987202 0.5589788 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0822668 0.5589788 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658135 0.5589788 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493601 0.5589788 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329067 0.5589788 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164534 0.5589788 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5589788 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5589788 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5589788 0.0163287), wk = 0.0026738 k( 66) = ( 0.0000000 0.5589788 0.0326573), wk = 0.0026738 k( 67) = ( 0.0000000 0.5589788 0.0489860), wk = 0.0026738 k( 68) = ( 0.0000000 0.5589788 0.0653147), wk = 0.0026738 k( 69) = ( 0.0000000 0.5589788 0.0816434), wk = 0.0026738 k( 70) = ( 0.0000000 0.5589788 0.0979720), wk = 0.0026738 k( 71) = ( 0.0000000 0.5589788 0.1143007), wk = 0.0026738 k( 72) = ( 0.0000000 0.5589788 0.1306294), wk = 0.0026738 k( 73) = ( 0.0000000 0.5589788 0.1469581), wk = 0.0026738 k( 74) = ( 0.0000000 0.5589788 0.1632867), wk = 0.0026738 k( 75) = ( 0.0000000 0.5589788 0.1796154), wk = 0.0026738 k( 76) = ( 0.0000000 0.5589788 0.1959441), wk = 0.0026738 k( 77) = ( 0.0000000 0.5589788 0.2122727), wk = 0.0026738 k( 78) = ( 0.0000000 0.5589788 0.2286014), wk = 0.0026738 k( 79) = ( 0.0000000 0.5589788 0.2449301), wk = 0.0026738 k( 80) = ( 0.0000000 0.5589788 0.2612588), wk = 0.0026738 k( 81) = ( 0.0000000 0.5589788 0.2775874), wk = 0.0026738 k( 82) = ( 0.0000000 0.5589788 0.2939161), wk = 0.0026738 k( 83) = ( 0.0000000 0.5589788 0.3102448), wk = 0.0026738 k( 84) = ( 0.0000000 0.5589788 0.3265734), wk = 0.0026738 k( 85) = ( 0.0000000 0.5589788 0.3429021), wk = 0.0026738 k( 86) = ( 0.0000000 0.5589788 0.3592308), wk = 0.0026738 k( 87) = ( 0.0000000 0.5589788 0.3755595), wk = 0.0026738 k( 88) = ( 0.0000000 0.5589788 0.3918881), wk = 0.0026738 k( 89) = ( 0.0000000 0.5589788 0.4082168), wk = 0.0026738 k( 90) = ( 0.0000000 0.5589788 0.4245455), wk = 0.0026738 k( 91) = ( 0.0000000 0.5589788 0.4408742), wk = 0.0026738 k( 92) = ( 0.0000000 0.5589788 0.4572028), wk = 0.0026738 k( 93) = ( 0.0000000 0.5589788 0.4735315), wk = 0.0026738 k( 94) = ( 0.0000000 0.5589788 0.4898602), wk = 0.0026738 k( 95) = ( 0.0000000 0.5589788 0.5061888), wk = 0.0026738 k( 96) = ( 0.0000000 0.5589788 0.5225175), wk = 0.0026738 k( 97) = ( 0.0000000 0.5589788 0.5388462), wk = 0.0026738 k( 98) = ( 0.0000000 0.5589788 0.5388462), wk = 0.0026738 k( 99) = ( 0.0164534 0.5589788 0.5388462), wk = 0.0026738 k( 100) = ( 0.0329067 0.5589788 0.5388462), wk = 0.0026738 k( 101) = ( 0.0493601 0.5589788 0.5388462), wk = 0.0026738 k( 102) = ( 0.0658135 0.5589788 0.5388462), wk = 0.0026738 k( 103) = ( 0.0822668 0.5589788 0.5388462), wk = 0.0026738 k( 104) = ( 0.0987202 0.5589788 0.5388462), wk = 0.0026738 k( 105) = ( 0.1151736 0.5589788 0.5388462), wk = 0.0026738 k( 106) = ( 0.1316269 0.5589788 0.5388462), wk = 0.0026738 k( 107) = ( 0.1480803 0.5589788 0.5388462), wk = 0.0026738 k( 108) = ( 0.1645337 0.5589788 0.5388462), wk = 0.0026738 k( 109) = ( 0.1809870 0.5589788 0.5388462), wk = 0.0026738 k( 110) = ( 0.1974404 0.5589788 0.5388462), wk = 0.0026738 k( 111) = ( 0.2138938 0.5589788 0.5388462), wk = 0.0026738 k( 112) = ( 0.2303471 0.5589788 0.5388462), wk = 0.0026738 k( 113) = ( 0.2468005 0.5589788 0.5388462), wk = 0.0026738 k( 114) = ( 0.2632539 0.5589788 0.5388462), wk = 0.0026738 k( 115) = ( 0.2797072 0.5589788 0.5388462), wk = 0.0026738 k( 116) = ( 0.2961606 0.5589788 0.5388462), wk = 0.0026738 k( 117) = ( 0.3126140 0.5589788 0.5388462), wk = 0.0026738 k( 118) = ( 0.3290673 0.5589788 0.5388462), wk = 0.0026738 k( 119) = ( 0.3455207 0.5589788 0.5388462), wk = 0.0026738 k( 120) = ( 0.3455207 0.5589788 0.5388462), wk = 0.0026738 k( 121) = ( 0.3368827 0.5450043 0.5388462), wk = 0.0026738 k( 122) = ( 0.3282447 0.5310298 0.5388462), wk = 0.0026738 k( 123) = ( 0.3196066 0.5170554 0.5388462), wk = 0.0026738 k( 124) = ( 0.3109686 0.5030809 0.5388462), wk = 0.0026738 k( 125) = ( 0.3023306 0.4891064 0.5388462), wk = 0.0026738 k( 126) = ( 0.2936926 0.4751320 0.5388462), wk = 0.0026738 k( 127) = ( 0.2850546 0.4611575 0.5388462), wk = 0.0026738 k( 128) = ( 0.2764166 0.4471830 0.5388462), wk = 0.0026738 k( 129) = ( 0.2677785 0.4332086 0.5388462), wk = 0.0026738 k( 130) = ( 0.2591405 0.4192341 0.5388462), wk = 0.0026738 k( 131) = ( 0.2505025 0.4052596 0.5388462), wk = 0.0026738 k( 132) = ( 0.2418645 0.3912852 0.5388462), wk = 0.0026738 k( 133) = ( 0.2332265 0.3773107 0.5388462), wk = 0.0026738 k( 134) = ( 0.2245884 0.3633362 0.5388462), wk = 0.0026738 k( 135) = ( 0.2159504 0.3493618 0.5388462), wk = 0.0026738 k( 136) = ( 0.2073124 0.3353873 0.5388462), wk = 0.0026738 k( 137) = ( 0.1986744 0.3214128 0.5388462), wk = 0.0026738 k( 138) = ( 0.1900364 0.3074383 0.5388462), wk = 0.0026738 k( 139) = ( 0.1813984 0.2934639 0.5388462), wk = 0.0026738 k( 140) = ( 0.1727604 0.2794894 0.5388462), wk = 0.0026738 k( 141) = ( 0.1641223 0.2655149 0.5388462), wk = 0.0026738 k( 142) = ( 0.1554843 0.2515404 0.5388462), wk = 0.0026738 k( 143) = ( 0.1468463 0.2375660 0.5388462), wk = 0.0026738 k( 144) = ( 0.1382083 0.2235915 0.5388462), wk = 0.0026738 k( 145) = ( 0.1295703 0.2096170 0.5388462), wk = 0.0026738 k( 146) = ( 0.1209322 0.1956426 0.5388462), wk = 0.0026738 k( 147) = ( 0.1122942 0.1816681 0.5388462), wk = 0.0026738 k( 148) = ( 0.1036562 0.1676936 0.5388462), wk = 0.0026738 k( 149) = ( 0.0950182 0.1537192 0.5388462), wk = 0.0026738 k( 150) = ( 0.0863802 0.1397447 0.5388462), wk = 0.0026738 k( 151) = ( 0.0777422 0.1257702 0.5388462), wk = 0.0026738 k( 152) = ( 0.0691041 0.1117958 0.5388462), wk = 0.0026738 k( 153) = ( 0.0604661 0.0978213 0.5388462), wk = 0.0026738 k( 154) = ( 0.0518281 0.0838468 0.5388462), wk = 0.0026738 k( 155) = ( 0.0431901 0.0698724 0.5388462), wk = 0.0026738 k( 156) = ( 0.0345521 0.0558979 0.5388462), wk = 0.0026738 k( 157) = ( 0.0259141 0.0419234 0.5388462), wk = 0.0026738 k( 158) = ( 0.0172760 0.0279489 0.5388462), wk = 0.0026738 k( 159) = ( 0.0086380 0.0139745 0.5388462), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5388462), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5388462), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5225175), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5061888), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4898602), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4735315), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4572028), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4408742), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4245455), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4082168), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3918881), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3755595), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3592308), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3429021), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3265734), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3102448), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2939161), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2775874), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2612588), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2449301), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2286014), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2122727), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1959441), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1796154), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1632867), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1469581), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1306294), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1143007), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0979720), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0816434), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0653147), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489860), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326573), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163287), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0085851 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171702 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257554 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343405 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0429256 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0515107 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0600958 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0686809 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0772661 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0858512 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0944363 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1030214 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1116065 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1201916 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1287768 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1373619 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1459470 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1545321 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1631172 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1717024 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1802875 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1888726 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1974577 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2060428 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2146279 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2232131 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2317982 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2403833 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2489684 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2575535 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2661386 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2747238 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2833089 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2918940 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3004791 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3090642 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3090642 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914178 0.3229484 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828356 0.3368325 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742535 0.3507167 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4656713 0.3646008 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4570891 0.3784849 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485069 0.3923691 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4399247 0.4062532 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4313425 0.4201374 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4227604 0.4340215 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4141782 0.4479056 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4055960 0.4617898 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3970138 0.4756739 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3884316 0.4895581 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3798494 0.5034422 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3712672 0.5173264 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3626851 0.5312105 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3541029 0.5450946 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3455207 0.5589788 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3455207 0.5589788 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3455207 0.5589788 0.0163287), wk = 0.0026738 k( 253) = ( -0.3455207 0.5589788 0.0326573), wk = 0.0026738 k( 254) = ( -0.3455207 0.5589788 0.0489860), wk = 0.0026738 k( 255) = ( -0.3455207 0.5589788 0.0653147), wk = 0.0026738 k( 256) = ( -0.3455207 0.5589788 0.0816434), wk = 0.0026738 k( 257) = ( -0.3455207 0.5589788 0.0979720), wk = 0.0026738 k( 258) = ( -0.3455207 0.5589788 0.1143007), wk = 0.0026738 k( 259) = ( -0.3455207 0.5589788 0.1306294), wk = 0.0026738 k( 260) = ( -0.3455207 0.5589788 0.1469581), wk = 0.0026738 k( 261) = ( -0.3455207 0.5589788 0.1632867), wk = 0.0026738 k( 262) = ( -0.3455207 0.5589788 0.1796154), wk = 0.0026738 k( 263) = ( -0.3455207 0.5589788 0.1959441), wk = 0.0026738 k( 264) = ( -0.3455207 0.5589788 0.2122727), wk = 0.0026738 k( 265) = ( -0.3455207 0.5589788 0.2286014), wk = 0.0026738 k( 266) = ( -0.3455207 0.5589788 0.2449301), wk = 0.0026738 k( 267) = ( -0.3455207 0.5589788 0.2612588), wk = 0.0026738 k( 268) = ( -0.3455207 0.5589788 0.2775874), wk = 0.0026738 k( 269) = ( -0.3455207 0.5589788 0.2939161), wk = 0.0026738 k( 270) = ( -0.3455207 0.5589788 0.3102448), wk = 0.0026738 k( 271) = ( -0.3455207 0.5589788 0.3265734), wk = 0.0026738 k( 272) = ( -0.3455207 0.5589788 0.3429021), wk = 0.0026738 k( 273) = ( -0.3455207 0.5589788 0.3592308), wk = 0.0026738 k( 274) = ( -0.3455207 0.5589788 0.3755595), wk = 0.0026738 k( 275) = ( -0.3455207 0.5589788 0.3918881), wk = 0.0026738 k( 276) = ( -0.3455207 0.5589788 0.4082168), wk = 0.0026738 k( 277) = ( -0.3455207 0.5589788 0.4245455), wk = 0.0026738 k( 278) = ( -0.3455207 0.5589788 0.4408742), wk = 0.0026738 k( 279) = ( -0.3455207 0.5589788 0.4572028), wk = 0.0026738 k( 280) = ( -0.3455207 0.5589788 0.4735315), wk = 0.0026738 k( 281) = ( -0.3455207 0.5589788 0.4898602), wk = 0.0026738 k( 282) = ( -0.3455207 0.5589788 0.5061888), wk = 0.0026738 k( 283) = ( -0.3455207 0.5589788 0.5225175), wk = 0.0026738 k( 284) = ( -0.3455207 0.5589788 0.5388462), wk = 0.0026738 k( 285) = ( -0.3455207 0.5589788 0.5388462), wk = 0.0026738 k( 286) = ( -0.3541029 0.5450946 0.5388462), wk = 0.0026738 k( 287) = ( -0.3626851 0.5312105 0.5388462), wk = 0.0026738 k( 288) = ( -0.3712672 0.5173264 0.5388462), wk = 0.0026738 k( 289) = ( -0.3798494 0.5034422 0.5388462), wk = 0.0026738 k( 290) = ( -0.3884316 0.4895581 0.5388462), wk = 0.0026738 k( 291) = ( -0.3970138 0.4756739 0.5388462), wk = 0.0026738 k( 292) = ( -0.4055960 0.4617898 0.5388462), wk = 0.0026738 k( 293) = ( -0.4141782 0.4479056 0.5388462), wk = 0.0026738 k( 294) = ( -0.4227604 0.4340215 0.5388462), wk = 0.0026738 k( 295) = ( -0.4313425 0.4201374 0.5388462), wk = 0.0026738 k( 296) = ( -0.4399247 0.4062532 0.5388462), wk = 0.0026738 k( 297) = ( -0.4485069 0.3923691 0.5388462), wk = 0.0026738 k( 298) = ( -0.4570891 0.3784849 0.5388462), wk = 0.0026738 k( 299) = ( -0.4656713 0.3646008 0.5388462), wk = 0.0026738 k( 300) = ( -0.4742535 0.3507167 0.5388462), wk = 0.0026738 k( 301) = ( -0.4828356 0.3368325 0.5388462), wk = 0.0026738 k( 302) = ( -0.4914178 0.3229484 0.5388462), wk = 0.0026738 k( 303) = ( -0.5000000 0.3090642 0.5388462), wk = 0.0026738 k( 304) = ( -0.5000000 0.3090642 0.5388462), wk = 0.0026738 k( 305) = ( -0.5000000 0.3090642 0.5225175), wk = 0.0026738 k( 306) = ( -0.5000000 0.3090642 0.5061888), wk = 0.0026738 k( 307) = ( -0.5000000 0.3090642 0.4898602), wk = 0.0026738 k( 308) = ( -0.5000000 0.3090642 0.4735315), wk = 0.0026738 k( 309) = ( -0.5000000 0.3090642 0.4572028), wk = 0.0026738 k( 310) = ( -0.5000000 0.3090642 0.4408742), wk = 0.0026738 k( 311) = ( -0.5000000 0.3090642 0.4245455), wk = 0.0026738 k( 312) = ( -0.5000000 0.3090642 0.4082168), wk = 0.0026738 k( 313) = ( -0.5000000 0.3090642 0.3918881), wk = 0.0026738 k( 314) = ( -0.5000000 0.3090642 0.3755595), wk = 0.0026738 k( 315) = ( -0.5000000 0.3090642 0.3592308), wk = 0.0026738 k( 316) = ( -0.5000000 0.3090642 0.3429021), wk = 0.0026738 k( 317) = ( -0.5000000 0.3090642 0.3265734), wk = 0.0026738 k( 318) = ( -0.5000000 0.3090642 0.3102448), wk = 0.0026738 k( 319) = ( -0.5000000 0.3090642 0.2939161), wk = 0.0026738 k( 320) = ( -0.5000000 0.3090642 0.2775874), wk = 0.0026738 k( 321) = ( -0.5000000 0.3090642 0.2612588), wk = 0.0026738 k( 322) = ( -0.5000000 0.3090642 0.2449301), wk = 0.0026738 k( 323) = ( -0.5000000 0.3090642 0.2286014), wk = 0.0026738 k( 324) = ( -0.5000000 0.3090642 0.2122727), wk = 0.0026738 k( 325) = ( -0.5000000 0.3090642 0.1959441), wk = 0.0026738 k( 326) = ( -0.5000000 0.3090642 0.1796154), wk = 0.0026738 k( 327) = ( -0.5000000 0.3090642 0.1632867), wk = 0.0026738 k( 328) = ( -0.5000000 0.3090642 0.1469581), wk = 0.0026738 k( 329) = ( -0.5000000 0.3090642 0.1306294), wk = 0.0026738 k( 330) = ( -0.5000000 0.3090642 0.1143007), wk = 0.0026738 k( 331) = ( -0.5000000 0.3090642 0.0979720), wk = 0.0026738 k( 332) = ( -0.5000000 0.3090642 0.0816434), wk = 0.0026738 k( 333) = ( -0.5000000 0.3090642 0.0653147), wk = 0.0026738 k( 334) = ( -0.5000000 0.3090642 0.0489860), wk = 0.0026738 k( 335) = ( -0.5000000 0.3090642 0.0326573), wk = 0.0026738 k( 336) = ( -0.5000000 0.3090642 0.0163287), wk = 0.0026738 k( 337) = ( -0.5000000 0.3090642 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5388462), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085851 0.5388462), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171702 0.5388462), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257554 0.5388462), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343405 0.5388462), wk = 0.0026738 k( 343) = ( -0.0694444 0.0429256 0.5388462), wk = 0.0026738 k( 344) = ( -0.0833333 0.0515107 0.5388462), wk = 0.0026738 k( 345) = ( -0.0972222 0.0600958 0.5388462), wk = 0.0026738 k( 346) = ( -0.1111111 0.0686809 0.5388462), wk = 0.0026738 k( 347) = ( -0.1250000 0.0772661 0.5388462), wk = 0.0026738 k( 348) = ( -0.1388889 0.0858512 0.5388462), wk = 0.0026738 k( 349) = ( -0.1527778 0.0944363 0.5388462), wk = 0.0026738 k( 350) = ( -0.1666667 0.1030214 0.5388462), wk = 0.0026738 k( 351) = ( -0.1805556 0.1116065 0.5388462), wk = 0.0026738 k( 352) = ( -0.1944444 0.1201916 0.5388462), wk = 0.0026738 k( 353) = ( -0.2083333 0.1287768 0.5388462), wk = 0.0026738 k( 354) = ( -0.2222222 0.1373619 0.5388462), wk = 0.0026738 k( 355) = ( -0.2361111 0.1459470 0.5388462), wk = 0.0026738 k( 356) = ( -0.2500000 0.1545321 0.5388462), wk = 0.0026738 k( 357) = ( -0.2638889 0.1631172 0.5388462), wk = 0.0026738 k( 358) = ( -0.2777778 0.1717024 0.5388462), wk = 0.0026738 k( 359) = ( -0.2916667 0.1802875 0.5388462), wk = 0.0026738 k( 360) = ( -0.3055556 0.1888726 0.5388462), wk = 0.0026738 k( 361) = ( -0.3194444 0.1974577 0.5388462), wk = 0.0026738 k( 362) = ( -0.3333333 0.2060428 0.5388462), wk = 0.0026738 k( 363) = ( -0.3472222 0.2146279 0.5388462), wk = 0.0026738 k( 364) = ( -0.3611111 0.2232131 0.5388462), wk = 0.0026738 k( 365) = ( -0.3750000 0.2317982 0.5388462), wk = 0.0026738 k( 366) = ( -0.3888889 0.2403833 0.5388462), wk = 0.0026738 k( 367) = ( -0.4027778 0.2489684 0.5388462), wk = 0.0026738 k( 368) = ( -0.4166667 0.2575535 0.5388462), wk = 0.0026738 k( 369) = ( -0.4305556 0.2661386 0.5388462), wk = 0.0026738 k( 370) = ( -0.4444444 0.2747238 0.5388462), wk = 0.0026738 k( 371) = ( -0.4583333 0.2833089 0.5388462), wk = 0.0026738 k( 372) = ( -0.4722222 0.2918940 0.5388462), wk = 0.0026738 k( 373) = ( -0.4861111 0.3004791 0.5388462), wk = 0.0026738 k( 374) = ( -0.5000000 0.3090642 0.5388462), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086380 0.0086380 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172760 0.0172760 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259141 0.0259141 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345521 0.0345521 0.0000000), wk = 0.0026738 k( 6) = ( 0.0431901 0.0431901 0.0000000), wk = 0.0026738 k( 7) = ( 0.0518281 0.0518281 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0604661 0.0604661 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691041 0.0691041 0.0000000), wk = 0.0026738 k( 10) = ( 0.0777422 0.0777422 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0863802 0.0863802 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0950182 0.0950182 0.0000000), wk = 0.0026738 k( 13) = ( 0.1036562 0.1036562 0.0000000), wk = 0.0026738 k( 14) = ( 0.1122942 0.1122942 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1209322 0.1209322 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1295703 0.1295703 0.0000000), wk = 0.0026738 k( 17) = ( 0.1382083 0.1382083 0.0000000), wk = 0.0026738 k( 18) = ( 0.1468463 0.1468463 0.0000000), wk = 0.0026738 k( 19) = ( 0.1554843 0.1554843 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1641223 0.1641223 0.0000000), wk = 0.0026738 k( 21) = ( 0.1727604 0.1727604 0.0000000), wk = 0.0026738 k( 22) = ( 0.1813984 0.1813984 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1900364 0.1900364 0.0000000), wk = 0.0026738 k( 24) = ( 0.1986744 0.1986744 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2073124 0.2073124 0.0000000), wk = 0.0026738 k( 26) = ( 0.2159504 0.2159504 0.0000000), wk = 0.0026738 k( 27) = ( 0.2245884 0.2245884 0.0000000), wk = 0.0026738 k( 28) = ( 0.2332265 0.2332265 0.0000000), wk = 0.0026738 k( 29) = ( 0.2418645 0.2418645 0.0000000), wk = 0.0026738 k( 30) = ( 0.2505025 0.2505025 0.0000000), wk = 0.0026738 k( 31) = ( 0.2591405 0.2591405 0.0000000), wk = 0.0026738 k( 32) = ( 0.2677785 0.2677785 0.0000000), wk = 0.0026738 k( 33) = ( 0.2764166 0.2764166 0.0000000), wk = 0.0026738 k( 34) = ( 0.2850546 0.2850546 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2936926 0.2936926 0.0000000), wk = 0.0026738 k( 36) = ( 0.3023306 0.3023306 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3109686 0.3109686 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3196066 0.3196066 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3282447 0.3282447 0.0000000), wk = 0.0026738 k( 40) = ( 0.3368827 0.3368827 0.0000000), wk = 0.0026738 k( 41) = ( 0.3455207 0.3455207 0.0000000), wk = 0.0026738 k( 42) = ( 0.3455207 0.3455207 0.0000000), wk = 0.0026738 k( 43) = ( 0.3290673 0.3528768 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3126140 0.3602330 0.0000000), wk = 0.0026738 k( 45) = ( 0.2961606 0.3675892 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2797072 0.3749453 0.0000000), wk = 0.0026738 k( 47) = ( 0.2632539 0.3823015 0.0000000), wk = 0.0026738 k( 48) = ( 0.2468005 0.3896576 0.0000000), wk = 0.0026738 k( 49) = ( 0.2303471 0.3970138 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2138938 0.4043700 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1974404 0.4117261 0.0000000), wk = 0.0026738 k( 52) = ( 0.1809870 0.4190823 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1645337 0.4264384 0.0000000), wk = 0.0026738 k( 54) = ( 0.1480803 0.4337946 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1316269 0.4411507 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1151736 0.4485069 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987202 0.4558631 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0822668 0.4632192 0.0000000), wk = 0.0026738 k( 59) = ( 0.0658135 0.4705754 0.0000000), wk = 0.0026738 k( 60) = ( 0.0493601 0.4779315 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329067 0.4852877 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164534 0.4926438 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 99) = ( 0.0164534 0.4926438 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329067 0.4852877 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493601 0.4779315 0.5000000), wk = 0.0026738 k( 102) = ( 0.0658135 0.4705754 0.5000000), wk = 0.0026738 k( 103) = ( 0.0822668 0.4632192 0.5000000), wk = 0.0026738 k( 104) = ( 0.0987202 0.4558631 0.5000000), wk = 0.0026738 k( 105) = ( 0.1151736 0.4485069 0.5000000), wk = 0.0026738 k( 106) = ( 0.1316269 0.4411507 0.5000000), wk = 0.0026738 k( 107) = ( 0.1480803 0.4337946 0.5000000), wk = 0.0026738 k( 108) = ( 0.1645337 0.4264384 0.5000000), wk = 0.0026738 k( 109) = ( 0.1809870 0.4190823 0.5000000), wk = 0.0026738 k( 110) = ( 0.1974404 0.4117261 0.5000000), wk = 0.0026738 k( 111) = ( 0.2138938 0.4043700 0.5000000), wk = 0.0026738 k( 112) = ( 0.2303471 0.3970138 0.5000000), wk = 0.0026738 k( 113) = ( 0.2468005 0.3896576 0.5000000), wk = 0.0026738 k( 114) = ( 0.2632539 0.3823015 0.5000000), wk = 0.0026738 k( 115) = ( 0.2797072 0.3749453 0.5000000), wk = 0.0026738 k( 116) = ( 0.2961606 0.3675892 0.5000000), wk = 0.0026738 k( 117) = ( 0.3126140 0.3602330 0.5000000), wk = 0.0026738 k( 118) = ( 0.3290673 0.3528768 0.5000000), wk = 0.0026738 k( 119) = ( 0.3455207 0.3455207 0.5000000), wk = 0.0026738 k( 120) = ( 0.3455207 0.3455207 0.5000000), wk = 0.0026738 k( 121) = ( 0.3368827 0.3368827 0.5000000), wk = 0.0026738 k( 122) = ( 0.3282447 0.3282447 0.5000000), wk = 0.0026738 k( 123) = ( 0.3196066 0.3196066 0.5000000), wk = 0.0026738 k( 124) = ( 0.3109686 0.3109686 0.5000000), wk = 0.0026738 k( 125) = ( 0.3023306 0.3023306 0.5000000), wk = 0.0026738 k( 126) = ( 0.2936926 0.2936926 0.5000000), wk = 0.0026738 k( 127) = ( 0.2850546 0.2850546 0.5000000), wk = 0.0026738 k( 128) = ( 0.2764166 0.2764166 0.5000000), wk = 0.0026738 k( 129) = ( 0.2677785 0.2677785 0.5000000), wk = 0.0026738 k( 130) = ( 0.2591405 0.2591405 0.5000000), wk = 0.0026738 k( 131) = ( 0.2505025 0.2505025 0.5000000), wk = 0.0026738 k( 132) = ( 0.2418645 0.2418645 0.5000000), wk = 0.0026738 k( 133) = ( 0.2332265 0.2332265 0.5000000), wk = 0.0026738 k( 134) = ( 0.2245884 0.2245884 0.5000000), wk = 0.0026738 k( 135) = ( 0.2159504 0.2159504 0.5000000), wk = 0.0026738 k( 136) = ( 0.2073124 0.2073124 0.5000000), wk = 0.0026738 k( 137) = ( 0.1986744 0.1986744 0.5000000), wk = 0.0026738 k( 138) = ( 0.1900364 0.1900364 0.5000000), wk = 0.0026738 k( 139) = ( 0.1813984 0.1813984 0.5000000), wk = 0.0026738 k( 140) = ( 0.1727604 0.1727604 0.5000000), wk = 0.0026738 k( 141) = ( 0.1641223 0.1641223 0.5000000), wk = 0.0026738 k( 142) = ( 0.1554843 0.1554843 0.5000000), wk = 0.0026738 k( 143) = ( 0.1468463 0.1468463 0.5000000), wk = 0.0026738 k( 144) = ( 0.1382083 0.1382083 0.5000000), wk = 0.0026738 k( 145) = ( 0.1295703 0.1295703 0.5000000), wk = 0.0026738 k( 146) = ( 0.1209322 0.1209322 0.5000000), wk = 0.0026738 k( 147) = ( 0.1122942 0.1122942 0.5000000), wk = 0.0026738 k( 148) = ( 0.1036562 0.1036562 0.5000000), wk = 0.0026738 k( 149) = ( 0.0950182 0.0950182 0.5000000), wk = 0.0026738 k( 150) = ( 0.0863802 0.0863802 0.5000000), wk = 0.0026738 k( 151) = ( 0.0777422 0.0777422 0.5000000), wk = 0.0026738 k( 152) = ( 0.0691041 0.0691041 0.5000000), wk = 0.0026738 k( 153) = ( 0.0604661 0.0604661 0.5000000), wk = 0.0026738 k( 154) = ( 0.0518281 0.0518281 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431901 0.0431901 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345521 0.0345521 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259141 0.0259141 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172760 0.0172760 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086380 0.0086380 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0138889 -0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0277778 -0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0416667 -0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0555556 -0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0694444 -0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0972222 -0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.1388889 -0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.1527778 -0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1805556 -0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1944444 -0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.2083333 -0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.2361111 -0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.2638889 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.3055556 -0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.3194444 -0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.3472222 -0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.3611111 -0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.3888889 -0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.4027778 -0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.4305556 -0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.4583333 -0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.4722222 -0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.4861111 -0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738 k( 233) = ( -0.4914178 0.5085822 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828356 0.5171644 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742535 0.5257465 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4656713 0.5343287 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4570891 0.5429109 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485069 0.5514931 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4399247 0.5600753 0.0000000), wk = 0.0026738 k( 240) = ( -0.4313425 0.5686575 0.0000000), wk = 0.0026738 k( 241) = ( -0.4227604 0.5772396 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4141782 0.5858218 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4055960 0.5944040 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3970138 0.6029862 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3884316 0.6115684 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3798494 0.6201506 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3712672 0.6287327 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3626851 0.6373149 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3541029 0.6458971 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3455207 0.6544793 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3455207 0.6544793 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3455207 0.6544793 0.0151515), wk = 0.0026738 k( 253) = ( -0.3455207 0.6544793 0.0303030), wk = 0.0026738 k( 254) = ( -0.3455207 0.6544793 0.0454546), wk = 0.0026738 k( 255) = ( -0.3455207 0.6544793 0.0606061), wk = 0.0026738 k( 256) = ( -0.3455207 0.6544793 0.0757576), wk = 0.0026738 k( 257) = ( -0.3455207 0.6544793 0.0909091), wk = 0.0026738 k( 258) = ( -0.3455207 0.6544793 0.1060606), wk = 0.0026738 k( 259) = ( -0.3455207 0.6544793 0.1212121), wk = 0.0026738 k( 260) = ( -0.3455207 0.6544793 0.1363636), wk = 0.0026738 k( 261) = ( -0.3455207 0.6544793 0.1515151), wk = 0.0026738 k( 262) = ( -0.3455207 0.6544793 0.1666667), wk = 0.0026738 k( 263) = ( -0.3455207 0.6544793 0.1818182), wk = 0.0026738 k( 264) = ( -0.3455207 0.6544793 0.1969697), wk = 0.0026738 k( 265) = ( -0.3455207 0.6544793 0.2121212), wk = 0.0026738 k( 266) = ( -0.3455207 0.6544793 0.2272727), wk = 0.0026738 k( 267) = ( -0.3455207 0.6544793 0.2424242), wk = 0.0026738 k( 268) = ( -0.3455207 0.6544793 0.2575758), wk = 0.0026738 k( 269) = ( -0.3455207 0.6544793 0.2727273), wk = 0.0026738 k( 270) = ( -0.3455207 0.6544793 0.2878788), wk = 0.0026738 k( 271) = ( -0.3455207 0.6544793 0.3030303), wk = 0.0026738 k( 272) = ( -0.3455207 0.6544793 0.3181818), wk = 0.0026738 k( 273) = ( -0.3455207 0.6544793 0.3333333), wk = 0.0026738 k( 274) = ( -0.3455207 0.6544793 0.3484849), wk = 0.0026738 k( 275) = ( -0.3455207 0.6544793 0.3636364), wk = 0.0026738 k( 276) = ( -0.3455207 0.6544793 0.3787879), wk = 0.0026738 k( 277) = ( -0.3455207 0.6544793 0.3939394), wk = 0.0026738 k( 278) = ( -0.3455207 0.6544793 0.4090909), wk = 0.0026738 k( 279) = ( -0.3455207 0.6544793 0.4242424), wk = 0.0026738 k( 280) = ( -0.3455207 0.6544793 0.4393939), wk = 0.0026738 k( 281) = ( -0.3455207 0.6544793 0.4545455), wk = 0.0026738 k( 282) = ( -0.3455207 0.6544793 0.4696970), wk = 0.0026738 k( 283) = ( -0.3455207 0.6544793 0.4848485), wk = 0.0026738 k( 284) = ( -0.3455207 0.6544793 0.5000000), wk = 0.0026738 k( 285) = ( -0.3455207 0.6544793 0.5000000), wk = 0.0026738 k( 286) = ( -0.3541029 0.6458971 0.5000000), wk = 0.0026738 k( 287) = ( -0.3626851 0.6373149 0.5000000), wk = 0.0026738 k( 288) = ( -0.3712672 0.6287327 0.5000000), wk = 0.0026738 k( 289) = ( -0.3798494 0.6201506 0.5000000), wk = 0.0026738 k( 290) = ( -0.3884316 0.6115684 0.5000000), wk = 0.0026738 k( 291) = ( -0.3970138 0.6029862 0.5000000), wk = 0.0026738 k( 292) = ( -0.4055960 0.5944040 0.5000000), wk = 0.0026738 k( 293) = ( -0.4141782 0.5858218 0.5000000), wk = 0.0026738 k( 294) = ( -0.4227604 0.5772396 0.5000000), wk = 0.0026738 k( 295) = ( -0.4313425 0.5686575 0.5000000), wk = 0.0026738 k( 296) = ( -0.4399247 0.5600753 0.5000000), wk = 0.0026738 k( 297) = ( -0.4485069 0.5514931 0.5000000), wk = 0.0026738 k( 298) = ( -0.4570891 0.5429109 0.5000000), wk = 0.0026738 k( 299) = ( -0.4656713 0.5343287 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742535 0.5257465 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828356 0.5171644 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914178 0.5085822 0.5000000), wk = 0.0026738 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738 k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738 k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738 k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738 k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738 k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738 k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738 k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738 k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738 k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738 k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738 k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738 k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738 k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738 k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738 k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738 k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738 k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738 k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 77983 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34509 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 192, 58) NL pseudopotentials 0.32 Mb ( 96, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1627) G-vector shells 0.01 Mb ( 822) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 192, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.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 43.2 secs Computing kpt #: 2 total cpu time spent up to now is 46.0 secs Computing kpt #: 3 total cpu time spent up to now is 48.4 secs Computing kpt #: 4 total cpu time spent up to now is 50.8 secs Computing kpt #: 5 total cpu time spent up to now is 53.2 secs Computing kpt #: 6 total cpu time spent up to now is 55.9 secs Computing kpt #: 7 total cpu time spent up to now is 58.5 secs Computing kpt #: 8 total cpu time spent up to now is 60.9 secs Computing kpt #: 9 total cpu time spent up to now is 63.3 secs Computing kpt #: 10 total cpu time spent up to now is 65.6 secs Computing kpt 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is 112.4 secs Computing kpt #: 27 total cpu time spent up to now is 116.2 secs Computing kpt #: 28 total cpu time spent up to now is 119.1 secs Computing kpt #: 29 total cpu time spent up to now is 121.9 secs Computing kpt #: 30 total cpu time spent up to now is 124.5 secs Computing kpt #: 31 total cpu time spent up to now is 127.8 secs Computing kpt #: 32 total cpu time spent up to now is 130.7 secs Computing kpt #: 33 total cpu time spent up to now is 133.7 secs Computing kpt #: 34 total cpu time spent up to now is 136.7 secs Computing kpt #: 35 total cpu time spent up to now is 140.3 secs Computing kpt #: 36 total cpu time spent up to now is 144.0 secs Computing kpt #: 37 total cpu time spent up to now is 147.8 secs Computing kpt #: 38 total cpu time spent up to now is 151.2 secs Computing kpt #: 39 total cpu time spent up to now is 154.4 secs Computing kpt #: 40 total cpu time spent up to now is 157.6 secs Computing kpt #: 41 total cpu time spent up to now is 162.7 secs Computing kpt #: 42 total cpu time spent up to now is 167.8 secs Computing kpt #: 43 total cpu time spent up to now is 171.2 secs Computing kpt #: 44 total cpu time spent up to now is 174.5 secs Computing kpt #: 45 total cpu time spent up to now is 177.6 secs Computing kpt #: 46 total cpu time spent up to now is 180.7 secs Computing kpt #: 47 total cpu time spent up to now is 184.2 secs Computing kpt #: 48 total cpu time spent up to now is 187.7 secs Computing kpt #: 49 total cpu time spent up to now is 191.6 secs Computing kpt #: 50 total cpu time spent up to now is 196.2 secs Computing kpt #: 51 total cpu time spent up to now is 200.2 secs Computing kpt #: 52 total cpu time spent up to now is 204.1 secs Computing kpt #: 53 total cpu time spent up to now is 207.8 secs Computing kpt #: 54 total cpu time spent up to now is 211.3 secs Computing kpt #: 55 total cpu time spent up to now is 214.7 secs Computing kpt #: 56 total cpu time spent up to now is 217.7 secs Computing kpt #: 57 total cpu time spent up to now is 220.7 secs Computing kpt #: 58 total cpu time spent up to now is 223.5 secs Computing kpt #: 59 total cpu time spent up to now is 226.4 secs Computing kpt #: 60 total cpu time spent up to now is 229.1 secs Computing kpt #: 61 total cpu time spent up to now is 231.9 secs Computing kpt #: 62 total cpu time spent up to now is 234.6 secs Computing kpt #: 63 total cpu time spent up to now is 237.1 secs Computing kpt #: 64 total cpu time spent up to now is 239.7 secs Computing kpt #: 65 total cpu time spent up to now is 242.2 secs Computing kpt #: 66 total cpu time spent up to now is 244.7 secs Computing kpt #: 67 total cpu time spent up to now is 247.4 secs Computing kpt #: 68 total cpu time spent up to now is 250.1 secs Computing kpt #: 69 total cpu time spent up to now is 252.8 secs Computing kpt #: 70 total cpu time spent up to now is 255.4 secs Computing kpt #: 71 total cpu time spent up to now is 258.3 secs Computing kpt #: 72 total cpu time spent up to now is 261.5 secs Computing kpt #: 73 total cpu time spent up to now is 264.9 secs Computing kpt #: 74 total cpu time spent up to now is 268.0 secs Computing kpt #: 75 total cpu time spent up to now is 271.1 secs Computing kpt #: 76 total cpu time spent up to now is 274.7 secs Computing kpt #: 77 total cpu time spent up to now is 279.0 secs Computing kpt #: 78 total cpu time spent up to now is 282.6 secs Computing kpt #: 79 total cpu time spent up to now is 286.8 secs Computing kpt #: 80 total cpu time spent up to now is 291.5 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.8 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.3 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.0 secs Computing kpt #: 84 total cpu time spent up to now is 312.4 secs Computing kpt #: 85 total cpu time spent up to now is 316.3 secs Computing kpt #: 86 total cpu time spent up to now is 319.6 secs Computing kpt #: 87 total cpu time spent up to now is 322.8 secs Computing kpt #: 88 total cpu time spent up to now is 326.3 secs Computing kpt #: 89 total cpu time spent up to now is 329.9 secs Computing kpt #: 90 total cpu time spent up to now is 333.1 secs Computing kpt #: 91 total cpu time spent up to now is 336.1 secs Computing kpt #: 92 total cpu time spent up to now is 339.2 secs Computing kpt #: 93 total cpu time spent up to now is 342.2 secs Computing kpt #: 94 total cpu time spent up to now is 345.3 secs Computing kpt #: 95 total cpu time spent up to now is 348.3 secs Computing kpt #: 96 total cpu time spent up to now is 351.3 secs Computing kpt #: 97 total cpu time spent up to now is 355.1 secs Computing kpt #: 98 total cpu time spent up to now is 358.3 secs Computing kpt #: 99 total cpu time spent up to now is 361.7 secs Computing kpt #: 100 total cpu time spent up to now is 365.1 secs Computing kpt #: 101 total cpu time spent up to now is 368.3 secs Computing kpt #: 102 total cpu time spent up to now is 371.6 secs Computing kpt #: 103 total cpu time spent up to now is 375.0 secs Computing kpt #: 104 total cpu time spent up to now is 378.3 secs Computing kpt #: 105 total cpu time spent up to now is 382.0 secs Computing kpt #: 106 total cpu time spent up to now is 385.6 secs Computing kpt #: 107 total cpu time spent up to now is 389.0 secs Computing kpt #: 108 total cpu time spent up to now is 392.2 secs Computing kpt #: 109 total cpu time spent up to now is 395.6 secs Computing kpt #: 110 total cpu time spent up to now is 399.0 secs Computing kpt #: 111 total cpu time spent up to now is 402.5 secs Computing kpt #: 112 total cpu time spent up to now is 405.8 secs Computing kpt #: 113 total cpu time spent up to now is 409.7 secs Computing kpt #: 114 total cpu time spent up to now is 414.6 secs Computing kpt #: 115 total cpu time spent up to now is 418.4 secs Computing kpt #: 116 total cpu time spent up to now is 421.8 secs Computing kpt #: 117 total cpu time spent up to now is 426.5 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.6 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.0 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 442.2 secs Computing kpt #: 121 total cpu time spent up to now is 446.4 secs Computing kpt #: 122 total cpu time spent up to now is 450.5 secs Computing kpt #: 123 total cpu time spent up to now is 454.7 secs Computing kpt #: 124 total cpu time spent up to now is 458.1 secs Computing kpt #: 125 total cpu time spent up to now is 461.2 secs Computing kpt #: 126 total cpu time spent up to now is 464.6 secs Computing kpt #: 127 total cpu time spent up to now is 467.1 secs Computing kpt #: 128 total cpu time spent up to now is 469.6 secs Computing kpt #: 129 total cpu time spent up to now is 472.2 secs Computing kpt #: 130 total cpu time spent up to now is 475.5 secs Computing kpt #: 131 total cpu time spent up to now is 478.3 secs Computing kpt #: 132 total cpu time spent up to now is 482.9 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 488.1 secs Computing kpt #: 134 total cpu time spent up to now is 491.0 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.1 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.1 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.2 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 511.0 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.1 secs Computing kpt #: 140 total cpu time spent up to now is 521.3 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 526.2 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 531.0 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 536.6 secs Computing kpt #: 144 total cpu time spent up to now is 540.9 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 545.8 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 550.9 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 555.9 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 560.9 secs Computing kpt #: 149 total cpu time spent up to now is 564.3 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 569.2 secs Computing kpt #: 151 total cpu time spent up to now is 572.7 secs Computing kpt #: 152 total cpu time spent up to now is 576.2 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 581.3 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 586.0 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 591.2 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 596.4 secs Computing kpt #: 157 total cpu time spent up to now is 598.6 secs Computing kpt #: 158 total cpu time spent up to now is 602.9 secs Computing kpt #: 159 total cpu time spent up to now is 605.5 secs Computing kpt #: 160 total cpu time spent up to now is 607.9 secs Computing kpt #: 161 total cpu time spent up to now is 610.4 secs Computing kpt #: 162 total cpu time spent up to now is 613.4 secs Computing kpt #: 163 total cpu time spent up to now is 616.5 secs Computing kpt #: 164 total cpu time spent up to now is 619.5 secs Computing kpt #: 165 total cpu time spent up to now is 622.3 secs Computing kpt #: 166 total cpu time spent up to now is 625.0 secs Computing kpt #: 167 total cpu time spent up to now is 627.9 secs Computing kpt #: 168 total cpu time spent up to now is 630.3 secs Computing kpt #: 169 total cpu time spent up to now is 633.1 secs Computing kpt #: 170 total cpu time spent up to now is 635.6 secs Computing kpt #: 171 total cpu time spent up to now is 638.0 secs Computing kpt #: 172 total cpu time spent up to now is 640.9 secs Computing kpt #: 173 total cpu time spent up to now is 643.5 secs Computing kpt #: 174 total cpu time spent up to now is 646.1 secs Computing kpt #: 175 total cpu time spent up to now is 648.8 secs Computing kpt #: 176 total cpu time spent up to now is 652.3 secs Computing kpt #: 177 total cpu time spent up to now is 655.1 secs Computing kpt #: 178 total cpu time spent up to now is 658.7 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 664.0 secs Computing kpt #: 180 total cpu time spent up to now is 667.1 secs Computing kpt #: 181 total cpu time spent up to now is 670.0 secs Computing kpt #: 182 total cpu time spent up to now is 672.7 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 677.8 secs Computing kpt #: 184 total cpu time spent up to now is 681.5 secs Computing kpt #: 185 total cpu time spent up to now is 685.0 secs Computing kpt #: 186 total cpu time spent up to now is 688.3 secs Computing kpt #: 187 total cpu time spent up to now is 691.4 secs Computing kpt #: 188 total cpu time spent up to now is 694.0 secs Computing kpt #: 189 total cpu time spent up to now is 697.2 secs Computing kpt #: 190 total cpu time spent up to now is 699.6 secs Computing kpt #: 191 total cpu time spent up to now is 702.1 secs Computing kpt #: 192 total cpu time spent up to now is 704.6 secs Computing kpt #: 193 total cpu time spent up to now is 707.0 secs Computing kpt #: 194 total cpu time spent up to now is 709.8 secs Computing kpt #: 195 total cpu time spent up to now is 712.8 secs Computing kpt #: 196 total cpu time spent up to now is 715.2 secs Computing kpt #: 197 total cpu time spent up to now is 717.8 secs Computing kpt #: 198 total cpu time spent up to now is 720.2 secs Computing kpt #: 199 total cpu time spent up to now is 722.8 secs Computing kpt #: 200 total cpu time spent up to now is 725.3 secs Computing kpt #: 201 total cpu time spent up to now is 727.8 secs Computing kpt #: 202 total cpu time spent up to now is 730.5 secs Computing kpt #: 203 total cpu time spent up to now is 733.1 secs Computing kpt #: 204 total cpu time spent up to now is 735.7 secs Computing kpt #: 205 total cpu time spent up to now is 738.4 secs Computing kpt #: 206 total cpu time spent up to now is 741.2 secs Computing kpt #: 207 total cpu time spent up to now is 744.0 secs Computing kpt #: 208 total cpu time spent up to now is 746.9 secs Computing kpt #: 209 total cpu time spent up to now is 749.8 secs Computing kpt #: 210 total cpu time spent up to now is 752.7 secs Computing kpt #: 211 total cpu time spent up to now is 755.8 secs Computing kpt #: 212 total cpu time spent up to now is 758.9 secs Computing kpt #: 213 total cpu time spent up to now is 761.9 secs Computing kpt #: 214 total cpu time spent up to now is 764.8 secs Computing kpt #: 215 total cpu time spent up to now is 767.6 secs Computing kpt #: 216 total cpu time spent up to now is 770.5 secs Computing kpt #: 217 total cpu time spent up to now is 774.0 secs Computing kpt #: 218 total cpu time spent up to now is 776.8 secs Computing kpt #: 219 total cpu time spent up to now is 779.7 secs Computing kpt #: 220 total cpu time spent up to now is 782.3 secs Computing kpt #: 221 total cpu time spent up to now is 785.0 secs Computing kpt #: 222 total cpu time spent up to now is 788.1 secs Computing kpt #: 223 total cpu time spent up to now is 790.8 secs Computing kpt #: 224 total cpu time spent up to now is 793.5 secs Computing kpt #: 225 total cpu time spent up to now is 796.2 secs Computing kpt #: 226 total cpu time spent up to now is 798.9 secs Computing kpt #: 227 total cpu time spent up to now is 801.6 secs Computing kpt #: 228 total cpu time spent up to now is 804.3 secs Computing kpt #: 229 total cpu time spent up to now is 806.9 secs Computing kpt #: 230 total cpu time spent up to now is 809.5 secs Computing kpt #: 231 total cpu time spent up to now is 812.1 secs Computing kpt #: 232 total cpu time spent up to now is 814.6 secs Computing kpt #: 233 total cpu time spent up to now is 817.6 secs Computing kpt #: 234 total cpu time spent up to now is 820.3 secs Computing kpt #: 235 total cpu time spent up to now is 823.3 secs Computing kpt #: 236 total cpu time spent up to now is 826.0 secs Computing kpt #: 237 total cpu time spent up to now is 829.0 secs Computing kpt #: 238 total cpu time spent up to now is 832.0 secs Computing kpt #: 239 total cpu time spent up to now is 836.0 secs Computing kpt #: 240 total cpu time spent up to now is 840.2 secs Computing kpt #: 241 total cpu time spent up to now is 843.6 secs Computing kpt #: 242 total cpu time spent up to now is 846.6 secs Computing kpt #: 243 total cpu time spent up to now is 849.6 secs Computing kpt #: 244 total cpu time spent up to now is 852.5 secs Computing kpt #: 245 total cpu time spent up to now is 855.2 secs Computing kpt #: 246 total cpu time spent up to now is 858.5 secs Computing kpt #: 247 total cpu time spent up to now is 861.2 secs Computing kpt #: 248 total cpu time spent up to now is 864.6 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 870.2 secs Computing kpt #: 250 total cpu time spent up to now is 874.6 secs Computing kpt #: 251 total cpu time spent up to now is 878.8 secs Computing kpt #: 252 total cpu time spent up to now is 882.9 secs Computing kpt #: 253 total cpu time spent up to now is 886.5 secs Computing kpt #: 254 total cpu time spent up to now is 890.4 secs Computing kpt #: 255 total cpu time spent up to now is 893.4 secs Computing kpt #: 256 total cpu time spent up to now is 896.8 secs Computing kpt #: 257 total cpu time spent up to now is 900.3 secs Computing kpt #: 258 total cpu time spent up to now is 903.3 secs Computing kpt #: 259 total cpu time spent up to now is 906.0 secs Computing kpt #: 260 total cpu time spent up to now is 908.6 secs Computing kpt #: 261 total cpu time spent up to now is 911.2 secs Computing kpt #: 262 total cpu time spent up to now is 914.0 secs Computing kpt #: 263 total cpu time spent up to now is 916.4 secs Computing kpt #: 264 total cpu time spent up to now is 918.9 secs Computing kpt #: 265 total cpu time spent up to now is 921.7 secs Computing kpt #: 266 total cpu time spent up to now is 924.1 secs Computing kpt #: 267 total cpu time spent up to now is 926.5 secs Computing kpt #: 268 total cpu time spent up to now is 929.0 secs Computing kpt #: 269 total cpu time spent up to now is 931.4 secs Computing kpt #: 270 total cpu time spent up to now is 933.8 secs Computing kpt #: 271 total cpu time spent up to now is 936.4 secs Computing kpt #: 272 total cpu time spent up to now is 938.9 secs Computing kpt #: 273 total cpu time spent up to now is 941.3 secs Computing kpt #: 274 total cpu time spent up to now is 943.7 secs Computing kpt #: 275 total cpu time spent up to now is 946.1 secs Computing kpt #: 276 total cpu time spent up to now is 948.4 secs Computing kpt #: 277 total cpu time spent up to now is 951.2 secs Computing kpt #: 278 total cpu time spent up to now is 953.7 secs Computing kpt #: 279 total cpu time spent up to now is 956.2 secs Computing kpt #: 280 total cpu time spent up to now is 959.0 secs Computing kpt #: 281 total cpu time spent up to now is 961.7 secs Computing kpt #: 282 total cpu time spent up to now is 964.3 secs Computing kpt #: 283 total cpu time spent up to now is 967.5 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 972.7 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 977.8 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 983.2 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 988.2 secs Computing kpt #: 288 total cpu time spent up to now is 991.7 secs Computing kpt #: 289 total cpu time spent up to now is 994.1 secs Computing kpt #: 290 total cpu time spent up to now is 996.5 secs Computing kpt #: 291 total cpu time spent up to now is 998.9 secs Computing kpt #: 292 total cpu time spent up to now is 1002.8 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1007.9 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1014.5 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1019.8 secs Computing kpt #: 296 total cpu time spent up to now is 1022.9 secs Computing kpt #: 297 total cpu time spent up to now is 1027.4 secs Computing kpt #: 298 total cpu time spent up to now is 1031.0 secs Computing kpt #: 299 total cpu time spent up to now is 1033.5 secs Computing kpt #: 300 total cpu time spent up to now is 1036.5 secs Computing kpt #: 301 total cpu time spent up to now is 1038.9 secs Computing kpt #: 302 total cpu time spent up to now is 1041.2 secs Computing kpt #: 303 total cpu time spent up to now is 1043.5 secs Computing kpt #: 304 total cpu time spent up to now is 1045.7 secs Computing kpt #: 305 total cpu time spent up to now is 1048.5 secs Computing kpt #: 306 total cpu time spent up to now is 1051.3 secs Computing kpt #: 307 total cpu time spent up to now is 1054.4 secs Computing kpt #: 308 total cpu time spent up to now is 1057.0 secs Computing kpt #: 309 total cpu time spent up to now is 1059.6 secs Computing kpt #: 310 total cpu time spent up to now is 1062.0 secs Computing kpt #: 311 total cpu time spent up to now is 1064.5 secs Computing kpt #: 312 total cpu time spent up to now is 1066.8 secs Computing kpt #: 313 total cpu time spent up to now is 1069.5 secs Computing kpt #: 314 total cpu time spent up to now is 1071.9 secs Computing kpt #: 315 total cpu time spent up to now is 1074.3 secs Computing kpt #: 316 total cpu time spent up to now is 1076.8 secs Computing kpt #: 317 total cpu time spent up to now is 1079.4 secs Computing kpt #: 318 total cpu time spent up to now is 1081.9 secs Computing kpt #: 319 total cpu time spent up to now is 1084.5 secs Computing kpt #: 320 total cpu time spent up to now is 1087.0 secs Computing kpt #: 321 total cpu time spent up to now is 1089.6 secs Computing kpt #: 322 total cpu time spent up to now is 1092.0 secs Computing kpt #: 323 total cpu time spent up to now is 1094.8 secs Computing kpt #: 324 total cpu time spent up to now is 1098.0 secs Computing kpt #: 325 total cpu time spent up to now is 1101.0 secs Computing kpt #: 326 total cpu time spent up to now is 1103.9 secs Computing kpt #: 327 total cpu time spent up to now is 1106.8 secs Computing kpt #: 328 total cpu time spent up to now is 1109.2 secs Computing kpt #: 329 total cpu time spent up to now is 1112.1 secs Computing kpt #: 330 total cpu time spent up to now is 1115.1 secs Computing kpt #: 331 total cpu time spent up to now is 1117.9 secs Computing kpt #: 332 total cpu time spent up to now is 1120.6 secs Computing kpt #: 333 total cpu time spent up to now is 1123.6 secs Computing kpt #: 334 total cpu time spent up to now is 1126.4 secs Computing kpt #: 335 total cpu time spent up to now is 1129.1 secs Computing kpt #: 336 total cpu time spent up to now is 1131.7 secs Computing kpt #: 337 total cpu time spent up to now is 1134.4 secs Computing kpt #: 338 total cpu time spent up to now is 1136.5 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1141.4 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1146.2 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1151.2 secs Computing kpt #: 342 total cpu time spent up to now is 1155.8 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1160.9 secs Computing kpt #: 344 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1166.5 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1171.6 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1176.7 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1181.9 secs Computing kpt #: 348 total cpu time spent up to now is 1186.4 secs Computing kpt #: 349 total cpu time spent up to now is 1189.8 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1195.9 secs Computing kpt #: 351 total cpu time spent up to now is 1199.7 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1204.9 secs Computing kpt #: 353 total cpu time spent up to now is 1208.6 secs Computing kpt #: 354 total cpu time spent up to now is 1212.2 secs Computing kpt #: 355 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1217.2 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1222.4 secs Computing kpt #: 357 total cpu time spent up to now is 1225.8 secs Computing kpt #: 358 total cpu time spent up to now is 1229.5 secs Computing kpt #: 359 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1234.7 secs Computing kpt #: 360 total cpu time spent up to now is 1238.4 secs Computing kpt #: 361 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1245.7 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1250.7 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1255.8 secs Computing kpt #: 364 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1261.0 secs Computing kpt #: 365 total cpu time spent up to now is 1266.0 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1271.4 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1276.5 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1281.6 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1286.7 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1291.5 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1296.3 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1301.0 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1306.4 secs Computing kpt #: 374 total cpu time spent up to now is 1308.6 secs ethr = 2.08E-11, avg # of iterations = 57.1 total cpu time spent up to now is 1308.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4311 PWs) bands (ev): -13.7184 -13.7184 -13.1350 -13.1350 -10.7873 -10.7873 -9.1081 -9.1081 -8.9696 -8.9696 -8.8658 -8.8658 -3.4662 -3.4662 -3.1757 -3.1757 -2.8946 -2.8946 -0.6915 -0.6915 -0.0890 -0.0890 -0.0194 -0.0194 0.4222 0.4222 0.9534 0.9534 1.5145 1.5145 2.2117 2.2117 2.6785 2.6785 3.3967 3.3967 3.5749 3.5749 3.8054 3.8054 3.8484 3.8484 4.4559 4.4559 4.6389 4.6389 5.4650 5.4650 10.7894 10.7894 12.0265 12.0265 12.1693 12.1693 13.0657 13.0657 13.5643 13.5643 k = 0.0086 0.0140-0.0000 ( 4309 PWs) bands (ev): -13.7180 -13.7180 -13.1350 -13.1350 -10.7867 -10.7867 -9.1290 -9.1259 -8.9540 -8.9504 -8.8655 -8.8652 -3.4708 -3.4707 -3.1690 -3.1683 -2.8937 -2.8935 -0.6920 -0.6913 -0.0902 -0.0898 -0.0207 -0.0204 0.4186 0.4200 0.9593 0.9616 1.5130 1.5138 2.2096 2.2107 2.6783 2.6788 3.3943 3.3950 3.5751 3.5751 3.8026 3.8061 3.8444 3.8480 4.4561 4.4562 4.6385 4.6388 5.4642 5.4646 10.7925 10.7925 12.0281 12.0285 12.1698 12.1701 13.0650 13.0662 13.5646 13.5659 k = 0.0173 0.0279-0.0000 ( 4309 PWs) bands (ev): -13.7171 -13.7171 -13.1351 -13.1351 -10.7849 -10.7849 -9.1724 -9.1683 -8.9175 -8.9124 -8.8644 -8.8638 -3.4833 -3.4830 -3.1493 -3.1482 -2.8909 -2.8905 -0.6926 -0.6913 -0.0933 -0.0925 -0.0243 -0.0237 0.4102 0.4127 0.9786 0.9829 1.5095 1.5111 2.2045 2.2065 2.6782 2.6790 3.3880 3.3892 3.5756 3.5757 3.7972 3.8050 3.8361 3.8439 4.4566 4.4568 4.6374 4.6381 5.4622 5.4629 10.8016 10.8016 12.0333 12.0342 12.1716 12.1721 13.0642 13.0666 13.5666 13.5692 k = 0.0259 0.0419-0.0000 ( 4299 PWs) bands (ev): -13.7155 -13.7155 -13.1353 -13.1353 -10.7819 -10.7818 -9.2244 -9.2201 -8.8757 -8.8696 -8.8622 -8.8615 -3.5007 -3.5004 -3.1197 -3.1180 -2.8862 -2.8856 -0.6937 -0.6917 -0.0984 -0.0972 -0.0299 -0.0292 0.3990 0.4024 1.0095 1.0155 1.5039 1.5063 2.1963 2.1993 2.6779 2.6793 3.3779 3.3797 3.5766 3.5767 3.7882 3.8009 3.8243 3.8372 4.4576 4.4579 4.6358 4.6367 5.4590 5.4600 10.8167 10.8168 12.0420 12.0434 12.1746 12.1754 13.0635 13.0670 13.5695 13.5734 k = 0.0346 0.0559-0.0000 ( 4303 PWs) bands (ev): -13.7133 -13.7133 -13.1355 -13.1355 -10.7778 -10.7776 -9.2804 -9.2762 -8.8600 -8.8586 -8.8326 -8.8265 -3.5204 -3.5202 -3.0826 -3.0807 -2.8795 -2.8787 -0.6957 -0.6929 -0.1054 -0.1039 -0.0374 -0.0364 0.3875 0.3913 1.0496 1.0569 1.4963 1.4994 2.1851 2.1890 2.6776 2.6794 3.3643 3.3668 3.5780 3.5781 3.7741 3.7903 3.8129 3.8293 4.4590 4.4594 4.6333 4.6344 5.4547 5.4561 10.8377 10.8378 12.0542 12.0560 12.1787 12.1798 13.0631 13.0676 13.5723 13.5771 k = 0.0432 0.0699-0.0000 ( 4301 PWs) bands (ev): -13.7105 -13.7104 -13.1358 -13.1358 -10.7724 -10.7722 -9.3388 -9.3347 -8.8563 -8.8547 -8.7913 -8.7848 -3.5405 -3.5404 -3.0403 -3.0380 -2.8710 -2.8699 -0.6990 -0.6954 -0.1144 -0.1125 -0.0462 -0.0450 0.3775 0.3815 1.0967 1.1051 1.4865 1.4904 2.1708 2.1757 2.6771 2.6794 3.3477 3.3508 3.5798 3.5799 3.7539 3.7694 3.8055 3.8214 4.4609 4.4613 4.6298 4.6312 5.4494 5.4511 10.8645 10.8646 12.0697 12.0719 12.1839 12.1853 13.0633 13.0686 13.5731 13.5787 k = 0.0518 0.0838-0.0000 ( 4297 PWs) bands (ev): -13.7071 -13.7070 -13.1361 -13.1361 -10.7658 -10.7656 -9.3990 -9.3950 -8.8520 -8.8501 -8.7519 -8.7451 -3.5599 -3.5597 -2.9941 -2.9916 -2.8605 -2.8593 -0.7042 -0.6998 -0.1255 -0.1232 -0.0553 -0.0540 0.3707 0.3747 1.1491 1.1582 1.4745 1.4792 2.1535 2.1592 2.6762 2.6792 3.3286 3.3323 3.5820 3.5823 3.7274 3.7409 3.7998 3.8139 4.4632 4.4637 4.6252 4.6269 5.4433 5.4454 10.8967 10.8968 12.0882 12.0909 12.1900 12.1917 13.0644 13.0704 13.5704 13.5765 k = 0.0605 0.0978-0.0000 ( 4297 PWs) bands (ev): -13.7030 -13.7030 -13.1365 -13.1365 -10.7579 -10.7577 -9.4603 -9.4566 -8.8468 -8.8446 -8.7148 -8.7078 -3.5776 -3.5773 -2.9448 -2.9421 -2.8481 -2.8466 -0.7120 -0.7068 -0.1386 -0.1359 -0.0635 -0.0623 0.3677 0.3717 1.2053 1.2150 1.4604 1.4658 2.1332 2.1397 2.6749 2.6786 3.3076 3.3119 3.5847 3.5851 3.6951 3.7068 3.7941 3.8066 4.4659 4.4665 4.6192 4.6210 5.4365 5.4389 10.9342 10.9344 12.1096 12.1127 12.1970 12.1989 13.0666 13.0731 13.5630 13.5692 k = 0.0691 0.1118-0.0000 ( 4295 PWs) bands (ev): -13.6984 -13.6984 -13.1370 -13.1370 -10.7489 -10.7487 -9.5227 -9.5191 -8.8410 -8.8384 -8.6804 -8.6731 -3.5933 -3.5928 -2.8933 -2.8904 -2.8338 -2.8321 -0.7229 -0.7170 -0.1538 -0.1507 -0.0698 -0.0686 0.3690 0.3729 1.2641 1.2744 1.4441 1.4501 2.1099 2.1171 2.6731 2.6774 3.2851 3.2902 3.5877 3.5884 3.6577 3.6678 3.7878 3.7992 4.4691 4.4698 4.6116 4.6136 5.4291 5.4318 10.9766 10.9768 12.1337 12.1372 12.2046 12.2068 13.0703 13.0771 13.5503 13.5564 k = 0.0777 0.1258-0.0000 ( 4291 PWs) bands (ev): -13.6933 -13.6932 -13.1375 -13.1375 -10.7387 -10.7384 -9.5858 -9.5824 -8.8343 -8.8315 -8.6488 -8.6412 -3.6065 -3.6059 -2.8399 -2.8368 -2.8175 -2.8157 -0.7376 -0.7309 -0.1711 -0.1677 -0.0727 -0.0717 0.3745 0.3784 1.3249 1.3356 1.4255 1.4322 2.0837 2.0916 2.6705 2.6757 3.2619 3.2676 3.5898 3.5921 3.6173 3.6247 3.7809 3.7914 4.4728 4.4735 4.6021 4.6042 5.4212 5.4243 11.0237 11.0240 12.1602 12.1641 12.2126 12.2151 13.0757 13.0827 13.5327 13.5387 k = 0.0864 0.1397-0.0000 ( 4283 PWs) bands (ev): -13.6876 -13.6875 -13.1381 -13.1381 -10.7272 -10.7269 -9.6494 -9.6462 -8.8270 -8.8239 -8.6200 -8.6123 -3.6171 -3.6163 -2.7995 -2.7975 -2.7850 -2.7818 -0.7562 -0.7488 -0.1907 -0.1869 -0.0714 -0.0705 0.3842 0.3881 1.3868 1.3971 1.4054 1.4120 2.0546 2.0631 2.6671 2.6731 3.2384 3.2448 3.5654 3.5759 3.5983 3.5999 3.7733 3.7831 4.4769 4.4777 4.5905 4.5927 5.4130 5.4164 11.0751 11.0754 12.1889 12.1933 12.2208 12.2237 13.0830 13.0900 13.5113 13.5170 k = 0.0950 0.1537-0.0000 ( 4287 PWs) bands (ev): -13.6813 -13.6813 -13.1387 -13.1387 -10.7145 -10.7141 -9.7134 -9.7104 -8.8190 -8.8156 -8.5943 -8.5864 -3.6250 -3.6240 -2.7795 -2.7773 -2.7290 -2.7257 -0.7787 -0.7708 -0.2124 -0.2083 -0.0652 -0.0645 0.3979 0.4017 1.3810 1.3889 1.4497 1.4611 2.0228 2.0319 2.6628 2.6697 3.2150 3.2220 3.5170 3.5260 3.6030 3.6038 3.7650 3.7743 4.4816 4.4825 4.5766 4.5789 5.4045 5.4082 11.1304 11.1308 12.2197 12.2246 12.2292 12.2323 13.0924 13.0994 13.4875 13.4928 k = 0.1037 0.1677-0.0000 ( 4295 PWs) bands (ev): -13.6746 -13.6745 -13.1394 -13.1394 -10.7005 -10.7002 -9.7776 -9.7747 -8.8103 -8.8066 -8.5716 -8.5635 -3.6302 -3.6291 -2.7577 -2.7553 -2.6721 -2.6687 -0.8048 -0.7964 -0.2365 -0.2320 -0.0540 -0.0534 0.4153 0.4192 1.3552 1.3636 1.5126 1.5243 1.9884 1.9980 2.6575 2.6653 3.1919 3.1996 3.4648 3.4730 3.6092 3.6097 3.7560 3.7650 4.4868 4.4877 4.5604 4.5627 5.3957 5.3997 11.1893 11.1898 12.2369 12.2406 12.2528 12.2578 13.1040 13.1108 13.4626 13.4675 k = 0.1123 0.1817-0.0000 ( 4283 PWs) bands (ev): -13.6674 -13.6674 -13.1401 -13.1401 -10.6853 -10.6849 -9.8418 -9.8392 -8.8010 -8.7970 -8.5519 -8.5436 -3.6328 -3.6315 -2.7340 -2.7314 -2.6147 -2.6112 -0.8339 -0.8251 -0.2629 -0.2580 -0.0378 -0.0372 0.4364 0.4404 1.3267 1.3357 1.5754 1.5874 1.9516 1.9616 2.6512 2.6598 3.1694 3.1777 3.4104 3.4181 3.6162 3.6167 3.7464 3.7551 4.4925 4.4935 4.5416 4.5440 5.3867 5.3910 11.2513 11.2519 12.2445 12.2485 12.2875 12.2929 13.1178 13.1242 13.4377 13.4422 k = 0.1209 0.1956-0.0000 ( 4289 PWs) bands (ev): -13.6598 -13.6597 -13.1409 -13.1408 -10.6689 -10.6684 -9.9060 -9.9035 -8.7911 -8.7868 -8.5352 -8.5268 -3.6327 -3.6313 -2.7084 -2.7056 -2.5568 -2.5533 -0.8654 -0.8563 -0.2917 -0.2864 -0.0169 -0.0164 0.4610 0.4651 1.2955 1.3049 1.6378 1.6500 1.9126 1.9230 2.6437 2.6532 3.1472 3.1561 3.3551 3.3624 3.6242 3.6247 3.7361 3.7446 4.4989 4.4999 4.5204 4.5228 5.3774 5.3819 11.3160 11.3168 12.2513 12.2557 12.3241 12.3298 13.1335 13.1395 13.4141 13.4181 k = 0.1296 0.2096-0.0000 ( 4289 PWs) bands (ev): -13.6518 -13.6517 -13.1417 -13.1417 -10.6512 -10.6507 -9.9700 -9.9677 -8.7807 -8.7761 -8.5215 -8.5130 -3.6303 -3.6288 -2.6811 -2.6781 -2.4988 -2.4952 -0.8985 -0.8893 -0.3229 -0.3173 0.0080 0.0086 0.4891 0.4934 1.2614 1.2713 1.6996 1.7119 1.8716 1.8824 2.6352 2.6455 3.1245 3.1338 3.3004 3.3075 3.6332 3.6337 3.7252 3.7336 4.4966 4.4991 4.5058 4.5070 5.3676 5.3725 11.3831 11.3840 12.2572 12.2620 12.3625 12.3686 13.1506 13.1560 13.3928 13.3963 k = 0.1382 0.2236-0.0000 ( 4283 PWs) bands (ev): -13.6433 -13.6433 -13.1425 -13.1425 -10.6322 -10.6317 -10.0337 -10.0315 -8.7697 -8.7649 -8.5107 -8.5021 -3.6257 -3.6241 -2.6519 -2.6487 -2.4408 -2.4372 -0.9326 -0.9233 -0.3566 -0.3506 0.0366 0.0373 0.5206 0.5250 1.2243 1.2347 1.7603 1.7729 1.8291 1.8402 2.6256 2.6368 3.0996 3.1091 3.2486 3.2558 3.6433 3.6439 3.7139 3.7221 4.4706 4.4731 4.5134 4.5146 5.3574 5.3625 11.4521 11.4531 12.2620 12.2672 12.4028 12.4091 13.1683 13.1728 13.3752 13.3780 k = 0.1468 0.2376-0.0000 ( 4283 PWs) bands (ev): -13.6346 -13.6345 -13.1434 -13.1434 -10.6120 -10.6114 -10.0970 -10.0949 -8.7584 -8.7532 -8.5027 -8.4940 -3.6191 -3.6174 -2.6210 -2.6176 -2.3830 -2.3794 -0.9670 -0.9576 -0.3927 -0.3864 0.0683 0.0690 0.5555 0.5601 1.1842 1.1948 1.7852 1.7967 1.8200 1.8327 2.6151 2.6270 3.0695 3.0787 3.2034 3.2110 3.6545 3.6553 3.7022 3.7101 4.4423 4.4448 4.5216 4.5228 5.3466 5.3519 11.5225 11.5237 12.2656 12.2712 12.4448 12.4514 13.1849 13.1883 13.3634 13.3653 k = 0.1555 0.2515-0.0000 ( 4287 PWs) bands (ev): -13.6255 -13.6254 -13.1443 -13.1443 -10.5905 -10.5898 -10.1597 -10.1578 -8.7466 -8.7412 -8.4974 -8.4887 -3.6107 -3.6090 -2.5883 -2.5847 -2.3256 -2.3220 -1.0011 -0.9916 -0.4313 -0.4246 0.1025 0.1033 0.5937 0.5986 1.1408 1.1517 1.7406 1.7522 1.8783 1.8912 2.6037 2.6162 3.0311 3.0397 3.1681 3.1765 3.6661 3.6677 3.6910 3.6980 4.4118 4.4144 4.5305 4.5318 5.3350 5.3406 11.5940 11.5954 12.2679 12.2739 12.4884 12.4954 13.1981 13.2001 13.3598 13.3606 k = 0.1641 0.2655-0.0000 ( 4291 PWs) bands (ev): -13.6161 -13.6160 -13.1452 -13.1452 -10.5677 -10.5670 -10.2218 -10.2200 -8.7345 -8.7289 -8.4947 -8.4860 -3.6009 -3.5991 -2.5539 -2.5501 -2.2688 -2.2652 -1.0343 -1.0248 -0.4723 -0.4653 0.1387 0.1396 0.6354 0.6405 1.0941 1.1052 1.6954 1.7072 1.9351 1.9481 2.5916 2.6047 2.9843 2.9923 3.1433 3.1524 3.6709 3.6782 3.6874 3.6888 4.3795 4.3820 4.5401 4.5414 5.3226 5.3284 11.6661 11.6678 12.2689 12.2753 12.5336 12.5409 13.2057 13.2063 13.3661 13.3666 k = 0.1728 0.2795-0.0000 ( 4289 PWs) bands (ev): -13.6065 -13.6064 -13.1462 -13.1461 -10.5436 -10.5429 -10.2832 -10.2815 -8.7222 -8.7162 -8.4945 -8.4858 -3.5898 -3.5880 -2.5177 -2.5137 -2.2126 -2.2091 -1.0661 -1.0567 -0.5157 -0.5084 0.1765 0.1776 0.6803 0.6858 1.0439 1.0552 1.6500 1.6620 1.9902 2.0034 2.5789 2.5923 2.9322 2.9397 3.1261 3.1358 3.6608 3.6699 3.6997 3.7000 4.3453 4.3479 4.5504 4.5518 5.3093 5.3152 11.7386 11.7404 12.2686 12.2754 12.5800 12.5876 13.2074 13.2078 13.3821 13.3834 k = 0.1814 0.2935-0.0000 ( 4293 PWs) bands (ev): -13.5967 -13.5966 -13.1471 -13.1471 -10.5183 -10.5175 -10.3438 -10.3423 -8.7096 -8.7034 -8.4965 -8.4878 -3.5779 -3.5761 -2.4799 -2.4757 -2.1573 -2.1538 -1.0961 -1.0868 -0.5613 -0.5538 0.2155 0.2167 0.7286 0.7344 0.9902 1.0016 1.6048 1.6170 2.0436 2.0569 2.5655 2.5793 2.8778 2.8850 3.1138 3.1239 3.6478 3.6568 3.7166 3.7167 4.3096 4.3122 4.5615 4.5630 5.2949 5.3010 11.8110 11.8130 12.2671 12.2743 12.6269 12.6348 13.2058 13.2068 13.4065 13.4081 k = 0.1900 0.3074-0.0000 ( 4297 PWs) bands (ev): -13.5867 -13.5866 -13.1481 -13.1481 -10.4916 -10.4908 -10.4036 -10.4021 -8.6969 -8.6905 -8.5007 -8.4921 -3.5654 -3.5636 -2.4404 -2.4360 -2.1030 -2.0996 -1.1239 -1.1147 -0.6092 -0.6014 0.2552 0.2566 0.7801 0.7862 0.9330 0.9443 1.5600 1.5723 2.0951 2.1086 2.5515 2.5656 2.8232 2.8302 3.1045 3.1147 3.6343 3.6431 3.7355 3.7355 4.2725 4.2750 4.5735 4.5749 5.2794 5.2857 11.8830 11.8853 12.2645 12.2721 12.6735 12.6816 13.2048 13.2060 13.4364 13.4381 k = 0.1987 0.3214-0.0000 ( 4301 PWs) bands (ev): -13.5766 -13.5765 -13.1490 -13.1490 -10.4642 -10.4630 -10.4618 -10.4608 -8.6842 -8.6775 -8.5068 -8.4983 -3.5526 -3.5508 -2.3993 -2.3947 -2.0499 -2.0466 -1.1492 -1.1401 -0.6591 -0.6511 0.2955 0.2971 0.8347 0.8410 0.8722 0.8835 1.5159 1.5283 2.1447 2.1583 2.5369 2.5511 2.7697 2.7766 3.0972 3.1074 3.6205 3.6293 3.7561 3.7562 4.2341 4.2367 4.5862 4.5877 5.2627 5.2691 11.9544 11.9569 12.2609 12.2689 12.7181 12.7264 13.2071 13.2084 13.4699 13.4714 k = 0.2073 0.3354-0.0000 ( 4297 PWs) bands (ev): -13.5664 -13.5662 -13.1500 -13.1500 -10.5201 -10.5188 -10.4345 -10.4336 -8.6715 -8.6646 -8.5148 -8.5063 -3.5398 -3.5380 -2.3566 -2.3519 -1.9982 -1.9950 -1.1717 -1.1626 -0.7108 -0.7026 0.3360 0.3377 0.8080 0.8192 0.8922 0.8988 1.4726 1.4850 2.1924 2.2061 2.5212 2.5355 2.7185 2.7254 3.0911 3.1012 3.6067 3.6155 3.7786 3.7787 4.1947 4.1972 4.5997 4.6013 5.2449 5.2514 12.0249 12.0277 12.2566 12.2650 12.7588 12.7672 13.2155 13.2169 13.5054 13.5067 k = 0.2160 0.3494-0.0000 ( 4289 PWs) bands (ev): -13.5561 -13.5560 -13.1509 -13.1509 -10.5768 -10.5756 -10.4041 -10.4030 -8.6589 -8.6518 -8.5244 -8.5160 -3.5273 -3.5256 -2.3124 -2.3075 -1.9479 -1.9449 -1.1909 -1.1820 -0.7642 -0.7558 0.3764 0.3784 0.7405 0.7515 0.9523 0.9593 1.4303 1.4428 2.2381 2.2519 2.5042 2.5183 2.6708 2.6774 3.0857 3.0957 3.5929 3.6017 3.8028 3.8031 4.1544 4.1569 4.6142 4.6158 5.2258 5.2325 12.0945 12.0976 12.2517 12.2605 12.7933 12.8016 13.2324 13.2340 13.5419 13.5430 k = 0.2246 0.3633-0.0000 ( 4297 PWs) bands (ev): -13.5458 -13.5457 -13.1518 -13.1518 -10.6323 -10.6312 -10.3724 -10.3713 -8.6465 -8.6392 -8.5354 -8.5272 -3.5154 -3.5137 -2.2667 -2.2617 -1.8992 -1.8964 -1.2069 -1.1980 -0.8189 -0.8103 0.4166 0.4188 0.6699 0.6806 1.0150 1.0223 1.3890 1.4014 2.2818 2.2958 2.4850 2.4984 2.6278 2.6340 3.0806 3.0903 3.5794 3.5882 3.8289 3.8293 4.1134 4.1159 4.6295 4.6311 5.2055 5.2123 12.1630 12.1663 12.2464 12.2556 12.8196 12.8277 13.2596 13.2616 13.5785 13.5795 k = 0.2332 0.3773-0.0000 ( 4297 PWs) bands (ev): -13.5356 -13.5354 -13.1527 -13.1527 -10.6865 -10.6855 -10.3394 -10.3383 -8.6344 -8.6270 -8.5478 -8.5397 -3.5043 -3.5026 -2.2197 -2.2144 -1.8524 -1.8497 -1.2192 -1.2104 -0.8747 -0.8660 0.4564 0.4588 0.5963 0.6068 1.0798 1.0874 1.3486 1.3611 2.3237 2.3377 2.4626 2.4747 2.5913 2.5962 3.0754 3.0849 3.5662 3.5750 3.8569 3.8573 4.0719 4.0744 4.6456 4.6473 5.1841 5.1909 12.2302 12.2334 12.2413 12.2505 12.8369 12.8445 13.2977 13.3003 13.6147 13.6154 k = 0.2419 0.3913-0.0000 ( 4289 PWs) bands (ev): -13.5254 -13.5252 -13.1535 -13.1535 -10.7396 -10.7386 -10.3053 -10.3040 -8.6228 -8.6151 -8.5613 -8.5533 -3.4942 -3.4926 -2.1713 -2.1659 -1.8075 -1.8050 -1.2277 -1.2191 -0.9313 -0.9224 0.4956 0.4982 0.5200 0.5302 1.1466 1.1545 1.3092 1.3216 2.3637 2.3778 2.4364 2.4464 2.5620 2.5652 3.0700 3.0790 3.5536 3.5623 3.8867 3.8872 4.0301 4.0325 4.6627 4.6645 5.1616 5.1685 12.2351 12.2451 12.2961 12.3000 12.8456 12.8528 13.3457 13.3489 13.6495 13.6504 k = 0.2505 0.4053-0.0000 ( 4293 PWs) bands (ev): -13.5153 -13.5151 -13.1543 -13.1543 -10.7912 -10.7904 -10.2699 -10.2685 -8.6117 -8.6038 -8.5757 -8.5679 -3.4854 -3.4837 -2.1217 -2.1162 -1.7647 -1.7624 -1.2323 -1.2239 -0.9882 -0.9793 0.4413 0.4511 0.5340 0.5368 1.2149 1.2232 1.2705 1.2831 2.4018 2.4066 2.4141 2.4163 2.5395 2.5408 3.0639 3.0724 3.5416 3.5502 3.9182 3.9188 3.9880 3.9903 4.6807 4.6825 5.1380 5.1449 12.2296 12.2399 12.3603 12.3645 12.8476 12.8543 13.4014 13.4052 13.6513 13.6619 k = 0.2591 0.4192-0.0000 ( 4291 PWs) bands (ev): -13.5053 -13.5052 -13.1550 -13.1550 -10.8416 -10.8408 -10.2333 -10.2319 -8.6012 -8.5932 -8.5910 -8.5834 -3.4778 -3.4762 -2.0710 -2.0654 -1.7240 -1.7220 -1.2330 -1.2247 -1.0451 -1.0361 0.3604 0.3699 0.5715 0.5745 1.2326 1.2448 1.2849 1.2931 2.3743 2.3801 2.4385 2.4528 2.5218 2.5220 3.0570 3.0649 3.5304 3.5388 3.9455 3.9472 3.9519 3.9531 4.6995 4.7014 5.1135 5.1204 12.2241 12.2349 12.4223 12.4268 12.8447 12.8510 13.4625 13.4667 13.5917 13.6009 k = 0.2678 0.4332-0.0000 ( 4295 PWs) bands (ev): -13.4955 -13.4954 -13.1557 -13.1557 -10.8905 -10.8897 -10.1956 -10.1940 -8.6069 -8.5995 -8.5914 -8.5833 -3.4717 -3.4701 -2.0194 -2.0136 -1.6857 -1.6838 -1.2297 -1.2216 -1.1015 -1.0924 0.2777 0.2869 0.6078 0.6110 1.1952 1.2075 1.3553 1.3640 2.3413 2.3457 2.4734 2.4878 2.5069 2.5080 3.0491 3.0563 3.5201 3.5284 3.9038 3.9059 3.9866 3.9875 4.7192 4.7212 5.0881 5.0950 12.2189 12.2300 12.4814 12.4863 12.8391 12.8453 13.5260 13.5262 13.5325 13.5358 k = 0.2764 0.4472-0.0000 ( 4299 PWs) bands (ev): -13.4859 -13.4858 -13.1563 -13.1563 -10.9379 -10.9372 -10.1567 -10.1551 -8.6233 -8.6161 -8.5825 -8.5742 -3.4671 -3.4655 -1.9671 -1.9613 -1.6496 -1.6479 -1.2226 -1.2146 -1.1567 -1.1476 0.1934 0.2023 0.6429 0.6462 1.1581 1.1705 1.4265 1.4355 2.3086 2.3120 2.4939 2.4958 2.5079 2.5219 3.0399 3.0464 3.5108 3.5189 3.8622 3.8640 4.0233 4.0243 4.7397 4.7418 5.0619 5.0689 12.2139 12.2254 12.5360 12.5413 12.8336 12.8396 13.4603 13.4680 13.5914 13.5965 k = 0.2851 0.4612-0.0000 ( 4289 PWs) bands (ev): -13.4766 -13.4765 -13.1568 -13.1568 -10.9838 -10.9832 -10.1168 -10.1150 -8.6401 -8.6331 -8.5746 -8.5662 -3.4639 -3.4624 -1.9146 -1.9087 -1.6157 -1.6142 -1.2153 -1.2068 -1.2040 -1.2011 0.1079 0.1164 0.6765 0.6800 1.1212 1.1335 1.4981 1.5073 2.2771 2.2798 2.4842 2.4859 2.5399 2.5543 3.0293 3.0350 3.5026 3.5106 3.8210 3.8226 4.0615 4.0626 4.7610 4.7632 5.0351 5.0420 12.2093 12.2211 12.5833 12.5888 12.8319 12.8376 13.3930 13.4002 13.6544 13.6596 k = 0.2937 0.4751-0.0000 ( 4291 PWs) bands (ev): -13.4675 -13.4674 -13.1572 -13.1572 -11.0282 -11.0277 -10.0758 -10.0739 -8.6571 -8.6504 -8.5678 -8.5593 -3.4623 -3.4608 -1.8624 -1.8565 -1.5841 -1.5827 -1.2618 -1.2520 -1.1969 -1.1899 0.0215 0.0297 0.7085 0.7122 1.0842 1.0966 1.5696 1.5791 2.2472 2.2495 2.4758 2.4772 2.5711 2.5856 3.0174 3.0220 3.4956 3.5033 3.7805 3.7818 4.1011 4.1025 4.7831 4.7853 5.0078 5.0147 12.2048 12.2170 12.6184 12.6237 12.8396 12.8447 13.3264 13.3331 13.7119 13.7170 k = 0.3023 0.4891-0.0000 ( 4279 PWs) bands (ev): -13.4588 -13.4586 -13.1575 -13.1575 -11.0710 -11.0705 -10.0337 -10.0318 -8.6743 -8.6678 -8.5622 -8.5536 -3.4620 -3.4606 -1.8115 -1.8058 -1.5543 -1.5531 -1.3087 -1.2988 -1.1797 -1.1728 -0.0655 -0.0577 0.7388 0.7426 1.0470 1.0594 1.6407 1.6504 2.2192 2.2211 2.4686 2.4697 2.6013 2.6158 3.0038 3.0075 3.4896 3.4972 3.7407 3.7417 4.1421 4.1436 4.8058 4.8081 4.9801 4.9869 12.2006 12.2130 12.6369 12.6412 12.8620 12.8658 13.2616 13.2680 13.7589 13.7631 k = 0.3110 0.5031-0.0000 ( 4279 PWs) bands (ev): -13.4503 -13.4502 -13.1577 -13.1577 -11.1122 -11.1118 -9.9907 -9.9887 -8.6915 -8.6852 -8.5579 -8.5493 -3.4631 -3.4618 -1.7638 -1.7583 -1.5264 -1.5253 -1.3496 -1.3395 -1.1598 -1.1532 -0.1529 -0.1455 0.7671 0.7711 1.0093 1.0218 1.7111 1.7211 2.1932 2.1950 2.4626 2.4631 2.6306 2.6451 2.9888 2.9914 3.4848 3.4923 3.7020 3.7026 4.1844 4.1861 4.8291 4.8315 4.9522 4.9589 12.1965 12.2090 12.6389 12.6419 12.8987 12.9010 13.1994 13.2055 13.7921 13.7950 k = 0.3196 0.5171-0.0000 ( 4283 PWs) bands (ev): -13.4422 -13.4421 -13.1579 -13.1578 -11.1518 -11.1514 -9.9469 -9.9447 -8.7085 -8.7025 -8.5551 -8.5464 -3.4655 -3.4642 -1.7226 -1.7174 -1.5000 -1.4990 -1.3809 -1.3704 -1.1377 -1.1314 -0.2404 -0.2333 0.7935 0.7975 0.9710 0.9835 1.7805 1.7907 2.1694 2.1710 2.4574 2.4576 2.6590 2.6735 2.9724 2.9738 3.4809 3.4884 3.6644 3.6645 4.2278 4.2297 4.8528 4.8553 4.9241 4.9308 12.1923 12.2050 12.6292 12.6312 12.9449 12.9460 13.1406 13.1463 13.8139 13.8158 k = 0.3282 0.5310-0.0000 ( 4291 PWs) bands (ev): -13.4345 -13.4344 -13.1579 -13.1579 -11.1897 -11.1893 -9.9021 -9.8998 -8.7254 -8.7196 -8.5539 -8.5451 -3.4690 -3.4676 -1.6933 -1.6884 -1.4751 -1.4740 -1.3967 -1.3860 -1.1140 -1.1080 -0.3277 -0.3210 0.8178 0.8219 0.9319 0.9444 1.8485 1.8589 2.1477 2.1493 2.4525 2.4534 2.6867 2.7012 2.9545 2.9548 3.4778 3.4856 3.6275 3.6284 4.2723 4.2743 4.8769 4.8795 4.8961 4.9027 12.1880 12.2007 12.6125 12.6139 12.9959 12.9961 13.0859 13.0911 13.8282 13.8294 k = 0.3369 0.5450-0.0000 ( 4289 PWs) bands (ev): -13.4272 -13.4271 -13.1578 -13.1578 -11.2259 -11.2255 -9.8566 -9.8542 -8.7420 -8.7365 -8.5543 -8.5456 -3.4734 -3.4721 -1.6815 -1.6768 -1.4512 -1.4502 -1.3915 -1.3806 -1.0890 -1.0834 -0.4145 -0.4081 0.8400 0.8440 0.8918 0.9043 1.9149 1.9254 2.1283 2.1299 2.4483 2.4501 2.7137 2.7281 2.9345 2.9354 3.4753 3.4836 3.5920 3.5941 4.3176 4.3198 4.8683 4.8746 4.9013 4.9041 12.1833 12.1959 12.5918 12.5928 13.0346 13.0399 13.0497 13.0498 13.8376 13.8383 k = 0.3455 0.5590-0.0000 ( 4293 PWs) bands (ev): -13.4203 -13.4202 -13.1576 -13.1576 -11.2603 -11.2600 -9.8104 -9.8078 -8.7582 -8.7529 -8.5565 -8.5478 -3.4786 -3.4774 -1.6873 -1.6826 -1.4283 -1.4275 -1.3648 -1.3540 -1.0632 -1.0579 -0.5006 -0.4946 0.8500 0.8589 0.8642 0.8647 1.9793 1.9899 2.1111 2.1126 2.4447 2.4475 2.7399 2.7542 2.9131 2.9152 3.4727 3.4824 3.5580 3.5620 4.3636 4.3660 4.8408 4.8469 4.9257 4.9286 12.1781 12.1905 12.5689 12.5696 12.9902 12.9947 13.1027 13.1033 13.8432 13.8437 k = 0.3455 0.5590-0.0000 ( 4293 PWs) bands (ev): -13.4203 -13.4202 -13.1576 -13.1576 -11.2603 -11.2600 -9.8104 -9.8078 -8.7582 -8.7529 -8.5565 -8.5478 -3.4786 -3.4774 -1.6873 -1.6826 -1.4283 -1.4275 -1.3648 -1.3540 -1.0632 -1.0579 -0.5006 -0.4946 0.8500 0.8589 0.8642 0.8647 1.9793 1.9899 2.1111 2.1126 2.4447 2.4475 2.7399 2.7542 2.9131 2.9152 3.4727 3.4824 3.5580 3.5620 4.3636 4.3660 4.8408 4.8469 4.9257 4.9286 12.1781 12.1905 12.5689 12.5696 12.9902 12.9947 13.1027 13.1033 13.8432 13.8437 k = 0.3291 0.5590-0.0000 ( 4293 PWs) bands (ev): -13.4241 -13.4240 -13.1578 -13.1578 -11.2415 -11.2412 -9.8353 -9.8327 -8.7497 -8.7443 -8.5550 -8.5463 -3.4753 -3.4740 -1.6943 -1.6899 -1.4331 -1.4324 -1.3807 -1.3699 -1.0743 -1.0688 -0.4540 -0.4478 0.8473 0.8515 0.8754 0.8876 1.9443 1.9548 2.1209 2.1225 2.4455 2.4478 2.7257 2.7400 2.9256 2.9272 3.4740 3.4829 3.5759 3.5789 4.3395 4.3418 4.8540 4.8600 4.9148 4.9175 12.1813 12.1937 12.5804 12.5814 13.0083 13.0130 13.0777 13.0781 13.8338 13.8341 k = 0.3126 0.5590-0.0000 ( 4286 PWs) bands (ev): -13.4284 -13.4283 -13.1583 -13.1582 -11.2206 -11.2202 -9.8608 -9.8583 -8.7410 -8.7354 -8.5539 -8.5451 -3.4711 -3.4698 -1.7269 -1.7230 -1.4273 -1.4260 -1.3899 -1.3793 -1.0794 -1.0738 -0.4051 -0.3988 0.8324 0.8366 0.9022 0.9146 1.9062 1.9167 2.1333 2.1348 2.4438 2.4458 2.7113 2.7255 2.9395 2.9410 3.4748 3.4834 3.5941 3.5966 4.3162 4.3184 4.8620 4.8665 4.9118 4.9130 12.1852 12.1977 12.5897 12.5912 13.0090 13.0128 13.0674 13.0691 13.8211 13.8217 k = 0.2962 0.5590-0.0000 ( 4290 PWs) bands (ev): -13.4331 -13.4330 -13.1589 -13.1589 -11.1976 -11.1972 -9.8869 -9.8846 -8.7322 -8.7265 -8.5530 -8.5443 -3.4659 -3.4645 -1.7768 -1.7735 -1.4265 -1.4226 -1.3852 -1.3769 -1.0773 -1.0717 -0.3545 -0.3481 0.8152 0.8193 0.9316 0.9440 1.8655 1.8759 2.1477 2.1491 2.4385 2.4405 2.6982 2.7121 2.9544 2.9559 3.4753 3.4837 3.6118 3.6142 4.2944 4.2964 4.8606 4.8628 4.9186 4.9205 12.1904 12.2029 12.5969 12.5989 12.9893 12.9921 13.0744 13.0777 13.8111 13.8120 k = 0.2797 0.5590-0.0000 ( 4287 PWs) bands (ev): -13.4381 -13.4380 -13.1598 -13.1598 -11.1727 -11.1723 -9.9138 -9.9115 -8.7232 -8.7174 -8.5525 -8.5438 -3.4595 -3.4581 -1.8364 -1.8335 -1.4350 -1.4293 -1.3705 -1.3645 -1.0667 -1.0611 -0.3028 -0.2963 0.7961 0.8000 0.9634 0.9759 1.8224 1.8328 2.1640 2.1652 2.4288 2.4309 2.6875 2.7009 2.9698 2.9715 3.4752 3.4837 3.6282 3.6308 4.2747 4.2765 4.8526 4.8537 4.9320 4.9353 12.1973 12.2098 12.6021 12.6048 12.9627 12.9652 13.0845 13.0886 13.8057 13.8067 k = 0.2633 0.5590-0.0000 ( 4294 PWs) bands (ev): -13.4433 -13.4432 -13.1609 -13.1609 -11.1460 -11.1456 -9.9414 -9.9392 -8.7142 -8.7083 -8.5522 -8.5435 -3.4519 -3.4505 -1.9010 -1.8986 -1.4461 -1.4399 -1.3572 -1.3525 -1.0467 -1.0413 -0.2507 -0.2442 0.7756 0.7793 0.9975 1.0100 1.7771 1.7874 2.1819 2.1827 2.4140 2.4165 2.6801 2.6927 2.9856 2.9875 3.4746 3.4833 3.6426 3.6456 4.2576 4.2591 4.8425 4.8435 4.9482 4.9521 12.2060 12.2185 12.6058 12.6090 12.9348 12.9374 13.0917 13.0963 13.8056 13.8067 k = 0.2468 0.5590-0.0000 ( 4301 PWs) bands (ev): -13.4486 -13.4485 -13.1622 -13.1621 -11.1177 -11.1173 -9.9697 -9.9675 -8.7052 -8.6991 -8.5523 -8.5436 -3.4430 -3.4415 -1.9683 -1.9662 -1.4578 -1.4515 -1.3490 -1.3451 -1.0180 -1.0128 -0.1986 -0.1921 0.7541 0.7576 1.0336 1.0461 1.7299 1.7402 2.2009 2.2013 2.3943 2.3971 2.6760 2.6877 3.0015 3.0037 3.4732 3.4822 3.6543 3.6579 4.2435 4.2448 4.8325 4.8336 4.9652 4.9695 12.2169 12.2293 12.6083 12.6120 12.9070 12.9097 13.0944 13.0992 13.8105 13.8117 k = 0.2303 0.5590-0.0000 ( 4306 PWs) bands (ev): -13.4539 -13.4538 -13.1636 -13.1635 -11.0880 -11.0875 -9.9986 -9.9966 -8.6962 -8.6900 -8.5526 -8.5440 -3.4325 -3.4311 -2.0368 -2.0349 -1.4695 -1.4634 -1.3457 -1.3424 -0.9823 -0.9774 -0.1470 -0.1406 0.7323 0.7355 1.0717 1.0841 1.6810 1.6913 2.2199 2.2206 2.3707 2.3735 2.6749 2.6857 3.0175 3.0199 3.4708 3.4801 3.6630 3.6672 4.2328 4.2340 4.8233 4.8245 4.9823 4.9867 12.2298 12.2421 12.6100 12.6142 12.8796 12.8826 13.0921 13.0971 13.8188 13.8206 k = 0.2139 0.5590-0.0000 ( 4304 PWs) bands (ev): -13.4592 -13.4591 -13.1651 -13.1650 -11.0570 -11.0565 -10.0282 -10.0262 -8.6873 -8.6810 -8.5533 -8.5447 -3.4206 -3.4191 -2.1055 -2.1038 -1.4809 -1.4750 -1.3461 -1.3432 -0.9418 -0.9371 -0.0966 -0.0904 0.7108 0.7137 1.1114 1.1238 1.6307 1.6408 2.2371 2.2396 2.3454 2.3473 2.6762 2.6860 3.0334 3.0359 3.4672 3.4768 3.6685 3.6733 4.2256 4.2267 4.8153 4.8166 4.9989 5.0034 12.2449 12.2570 12.6114 12.6161 12.8530 12.8561 13.0852 13.0903 13.8271 13.8301 k = 0.1974 0.5590-0.0000 ( 4305 PWs) bands (ev): -13.4643 -13.4642 -13.1667 -13.1666 -11.0249 -11.0244 -10.0584 -10.0565 -8.6785 -8.6721 -8.5542 -8.5456 -3.4070 -3.4055 -2.1738 -2.1721 -1.4919 -1.4864 -1.3488 -1.3464 -0.8983 -0.8938 -0.0481 -0.0421 0.6906 0.6931 1.1526 1.1650 1.5791 1.5891 2.2466 2.2534 2.3234 2.3250 2.6789 2.6879 3.0491 3.0518 3.4621 3.4720 3.6710 3.6765 4.2216 4.2228 4.8087 4.8101 5.0147 5.0192 12.2620 12.2740 12.6130 12.6181 12.8271 12.8304 13.0744 13.0795 13.8288 13.8334 k = 0.1810 0.5590-0.0000 ( 4312 PWs) bands (ev): -13.4693 -13.4692 -13.1683 -13.1683 -10.9920 -10.9914 -10.0891 -10.0872 -8.6698 -8.6633 -8.5554 -8.5469 -3.3918 -3.3903 -2.2410 -2.2394 -1.5024 -1.4973 -1.3530 -1.3508 -0.8532 -0.8489 -0.0022 0.0033 0.6727 0.6746 1.1951 1.2075 1.5264 1.5364 2.2363 2.2475 2.3168 2.3222 2.6826 2.6909 3.0645 3.0673 3.4554 3.4653 3.6711 3.6771 4.2205 4.2218 4.8036 4.8051 5.0295 5.0339 12.2810 12.2929 12.6153 12.6207 12.8020 12.8055 13.0602 13.0654 13.8192 13.8246 k = 0.1645 0.5590-0.0000 ( 4307 PWs) bands (ev): -13.4740 -13.4740 -13.1700 -13.1699 -10.9584 -10.9578 -10.1201 -10.1184 -8.6614 -8.6547 -8.5569 -8.5485 -3.3750 -3.3735 -2.3066 -2.3052 -1.5124 -1.5077 -1.3577 -1.3558 -0.8076 -0.8035 0.0397 0.0448 0.6584 0.6596 1.2385 1.2508 1.4731 1.4830 2.2073 2.2191 2.3306 2.3359 2.6866 2.6943 3.0795 3.0825 3.4468 3.4568 3.6695 3.6757 4.2218 4.2232 4.8001 4.8016 5.0432 5.0475 12.3017 12.3134 12.6185 12.6242 12.7778 12.7814 13.0435 13.0487 13.8007 13.8060 k = 0.1481 0.5590-0.0000 ( 4305 PWs) bands (ev): -13.4785 -13.4784 -13.1716 -13.1715 -10.9244 -10.9238 -10.1515 -10.1498 -8.6531 -8.6463 -8.5587 -8.5504 -3.3567 -3.3551 -2.3702 -2.3689 -1.5217 -1.5174 -1.3627 -1.3609 -0.7625 -0.7586 0.0766 0.0810 0.6494 0.6497 1.2820 1.2940 1.4200 1.4299 2.1704 2.1820 2.3511 2.3558 2.6905 2.6977 3.0942 3.0972 3.4364 3.4461 3.6669 3.6731 4.2247 4.2262 4.7981 4.7996 5.0556 5.0597 12.3238 12.3353 12.6231 12.6288 12.7546 12.7582 13.0247 13.0299 13.7775 13.7824 k = 0.1316 0.5590-0.0000 ( 4311 PWs) bands (ev): -13.4826 -13.4825 -13.1731 -13.1731 -10.8904 -10.8898 -10.1828 -10.1813 -8.6451 -8.6382 -8.5608 -8.5526 -3.3369 -3.3354 -2.4313 -2.4301 -1.5303 -1.5265 -1.3675 -1.3659 -0.7186 -0.7149 0.1070 0.1105 0.6465 0.6473 1.3194 1.3307 1.3729 1.3838 2.1299 2.1414 2.3732 2.3774 2.6941 2.7007 3.1084 3.1115 3.4242 3.4335 3.6639 3.6699 4.2287 4.2301 4.7975 4.7990 5.0667 5.0706 12.3470 12.3582 12.6288 12.6346 12.7332 12.7363 13.0043 13.0096 13.7522 13.7568 k = 0.1152 0.5590-0.0000 ( 4310 PWs) bands (ev): -13.4863 -13.4862 -13.1745 -13.1745 -10.8566 -10.8560 -10.2140 -10.2125 -8.6374 -8.6305 -8.5632 -8.5551 -3.3161 -3.3145 -2.4894 -2.4882 -1.5380 -1.5347 -1.3719 -1.3706 -0.6766 -0.6732 0.1298 0.1324 0.6515 0.6535 1.2988 1.3083 1.3842 1.3966 2.0874 2.0989 2.3953 2.3991 2.6971 2.7032 3.1221 3.1252 3.4105 3.4192 3.6610 3.6666 4.2330 4.2345 4.7981 4.7995 5.0764 5.0799 12.3708 12.3817 12.6349 12.6404 12.7147 12.7170 12.9826 12.9880 13.7263 13.7305 k = 0.0987 0.5590-0.0000 ( 4310 PWs) bands (ev): -13.4896 -13.4895 -13.1759 -13.1758 -10.8236 -10.8230 -10.2445 -10.2432 -8.6300 -8.6230 -8.5659 -8.5579 -3.2944 -3.2930 -2.5437 -2.5425 -1.5449 -1.5420 -1.3759 -1.3748 -0.6373 -0.6342 0.1446 0.1463 0.6655 0.6687 1.2467 1.2558 1.4273 1.4395 2.0439 2.0552 2.4165 2.4200 2.6993 2.7049 3.1353 3.1384 3.3958 3.4038 3.6586 3.6636 4.2374 4.2387 4.7997 4.8010 5.0847 5.0879 12.3948 12.4054 12.6378 12.6432 12.7022 12.7044 12.9597 12.9653 13.7010 13.7047 k = 0.0823 0.5590-0.0000 ( 4310 PWs) bands (ev): -13.4924 -13.4924 -13.1770 -13.1770 -10.7920 -10.7914 -10.2739 -10.2727 -8.6230 -8.6160 -8.5689 -8.5610 -3.2726 -3.2713 -2.5934 -2.5924 -1.5508 -1.5483 -1.3793 -1.3784 -0.6016 -0.5988 0.1521 0.1530 0.6883 0.6926 1.1921 1.2011 1.4729 1.4847 1.9998 2.0111 2.4361 2.4393 2.7009 2.7059 3.1478 3.1508 3.3808 3.3878 3.6567 3.6610 4.2414 4.2425 4.8020 4.8031 5.0916 5.0944 12.4187 12.4289 12.6316 12.6380 12.7003 12.7052 12.9358 12.9415 13.6772 13.6804 k = 0.0658 0.5590-0.0000 ( 4312 PWs) bands (ev): -13.4948 -13.4948 -13.1780 -13.1779 -10.7627 -10.7621 -10.3013 -10.3003 -8.6163 -8.6094 -8.5721 -8.5644 -3.2515 -3.2503 -2.6376 -2.6366 -1.5556 -1.5537 -1.3821 -1.3814 -0.5702 -0.5678 0.1537 0.1542 0.7188 0.7240 1.1378 1.1464 1.5183 1.5297 1.9561 1.9671 2.4536 2.4564 2.7019 2.7061 3.1595 3.1623 3.3663 3.3723 3.6554 3.6589 4.2448 4.2458 4.8045 4.8055 5.0972 5.0995 12.4421 12.4519 12.6170 12.6242 12.7109 12.7173 12.9109 12.9168 13.6560 13.6586 k = 0.0494 0.5590-0.0000 ( 4314 PWs) bands (ev): -13.4967 -13.4966 -13.1787 -13.1787 -10.7368 -10.7362 -10.3256 -10.3247 -8.6101 -8.6035 -8.5753 -8.5681 -3.2324 -3.2314 -2.6748 -2.6740 -1.5594 -1.5579 -1.3843 -1.3838 -0.5442 -0.5423 0.1518 0.1521 0.7551 0.7609 1.0846 1.0928 1.5623 1.5729 1.9139 1.9242 2.4683 2.4705 2.7024 2.7057 3.1700 3.1724 3.3531 3.3580 3.6546 3.6572 4.2476 4.2483 4.8069 4.8077 5.1015 5.1033 12.4647 12.4739 12.5990 12.6064 12.7290 12.7359 12.8850 12.8912 13.6384 13.6404 k = 0.0329 0.5590-0.0000 ( 4316 PWs) bands (ev): -13.4980 -13.4980 -13.1793 -13.1793 -10.7160 -10.7156 -10.3451 -10.3445 -8.6045 -8.5985 -8.5784 -8.5720 -3.2167 -3.2160 -2.7033 -2.7027 -1.5620 -1.5610 -1.3859 -1.3855 -0.5246 -0.5233 0.1485 0.1488 0.7944 0.8003 1.0345 1.0420 1.6028 1.6119 1.8757 1.8846 2.4796 2.4811 2.7026 2.7050 3.1786 3.1805 3.3426 3.3460 3.6542 3.6559 4.2496 4.2501 4.8090 4.8095 5.1047 5.1058 12.4861 12.4945 12.5803 12.5875 12.7513 12.7583 12.8585 12.8649 13.6252 13.6266 k = 0.0165 0.5590-0.0000 ( 4318 PWs) bands (ev): -13.4988 -13.4988 -13.1796 -13.1796 -10.7022 -10.7020 -10.3580 -10.3577 -8.5996 -8.5956 -8.5801 -8.5758 -3.2062 -3.2058 -2.7214 -2.7210 -1.5635 -1.5630 -1.3868 -1.3866 -0.5123 -0.5116 0.1457 0.1459 0.8316 0.8363 0.9926 0.9981 1.6352 1.6411 1.8469 1.8527 2.4867 2.4876 2.7029 2.7042 3.1846 3.1857 3.3359 3.3377 3.6541 3.6550 4.2509 4.2511 4.8104 4.8107 5.1066 5.1072 12.5055 12.5121 12.5636 12.5696 12.7759 12.7825 12.8321 12.8384 13.6171 13.6178 k = 0.0000 0.5590-0.0000 ( 4316 PWs) bands (ev): -13.4991 -13.4991 -13.1798 -13.1798 -10.6973 -10.6973 -10.3624 -10.3624 -8.5961 -8.5961 -8.5790 -8.5790 -3.2024 -3.2024 -2.7275 -2.7275 -1.5639 -1.5639 -1.3870 -1.3870 -0.5079 -0.5079 0.1448 0.1448 0.8520 0.8520 0.9753 0.9753 1.6507 1.6507 1.8374 1.8374 2.4895 2.4895 2.7034 2.7034 3.1871 3.1871 3.3342 3.3342 3.6544 3.6544 4.2514 4.2514 4.8110 4.8110 5.1075 5.1075 12.5180 12.5180 12.5577 12.5577 12.7981 12.7981 12.8157 12.8157 13.6146 13.6146 k = 0.0000 0.5590-0.0000 ( 4316 PWs) bands (ev): -13.4991 -13.4991 -13.1798 -13.1798 -10.6973 -10.6973 -10.3624 -10.3624 -8.5961 -8.5961 -8.5790 -8.5790 -3.2024 -3.2024 -2.7275 -2.7275 -1.5639 -1.5639 -1.3870 -1.3870 -0.5079 -0.5079 0.1448 0.1448 0.8520 0.8520 0.9753 0.9753 1.6507 1.6507 1.8374 1.8374 2.4895 2.4895 2.7034 2.7034 3.1871 3.1871 3.3342 3.3342 3.6544 3.6544 4.2514 4.2514 4.8110 4.8110 5.1075 5.1075 12.5180 12.5180 12.5577 12.5577 12.7981 12.7981 12.8157 12.8157 13.6146 13.6146 k = 0.0000 0.5590 0.0163 ( 4322 PWs) bands (ev): -13.4988 -13.4988 -13.1799 -13.1799 -10.6965 -10.6965 -10.3618 -10.3617 -8.5978 -8.5976 -8.5808 -8.5808 -3.2019 -3.2018 -2.7270 -2.7268 -1.5632 -1.5631 -1.3846 -1.3843 -0.5064 -0.5062 0.1443 0.1444 0.8498 0.8498 0.9731 0.9734 1.6506 1.6507 1.8384 1.8384 2.4874 2.4874 2.7041 2.7042 3.1887 3.1888 3.3350 3.3352 3.6539 3.6540 4.2517 4.2518 4.8110 4.8110 5.1072 5.1072 12.5123 12.5128 12.5516 12.5521 12.7969 12.7977 12.8193 12.8196 13.6189 13.6190 k = 0.0000 0.5590 0.0327 ( 4320 PWs) bands (ev): -13.4981 -13.4981 -13.1802 -13.1802 -10.6940 -10.6940 -10.3599 -10.3598 -8.6025 -8.6023 -8.5861 -8.5861 -3.2005 -3.2003 -2.7254 -2.7250 -1.5611 -1.5610 -1.3770 -1.3765 -0.5017 -0.5013 0.1430 0.1433 0.8433 0.8435 0.9669 0.9675 1.6504 1.6505 1.8412 1.8413 2.4812 2.4813 2.7062 2.7063 3.1935 3.1936 3.3376 3.3379 3.6525 3.6527 4.2526 4.2529 4.8110 4.8111 5.1064 5.1064 12.4966 12.4975 12.5345 12.5353 12.7938 12.7952 12.8298 12.8303 13.6313 13.6315 k = 0.0000 0.5590 0.0490 ( 4308 PWs) bands (ev): -13.4969 -13.4969 -13.1808 -13.1808 -10.6898 -10.6898 -10.3567 -10.3565 -8.6103 -8.6099 -8.5950 -8.5949 -3.1982 -3.1978 -2.7226 -2.7221 -1.5577 -1.5576 -1.3645 -1.3637 -0.4938 -0.4932 0.1409 0.1413 0.8329 0.8331 0.9570 0.9578 1.6499 1.6502 1.8457 1.8458 2.4713 2.4714 2.7097 2.7098 3.2011 3.2013 3.3419 3.3423 3.6503 3.6506 4.2542 4.2546 4.8112 4.8112 5.1050 5.1050 12.4728 12.4740 12.5078 12.5088 12.7885 12.7902 12.8457 12.8464 13.6507 13.6508 k = 0.0000 0.5590 0.0653 ( 4308 PWs) bands (ev): -13.4953 -13.4952 -13.1816 -13.1815 -10.6840 -10.6840 -10.3522 -10.3520 -8.6212 -8.6207 -8.6072 -8.6071 -3.1948 -3.1943 -2.7188 -2.7181 -1.5530 -1.5529 -1.3470 -1.3460 -0.4827 -0.4819 0.1378 0.1384 0.8189 0.8192 0.9436 0.9446 1.6491 1.6494 1.8516 1.8517 2.4581 2.4582 2.7143 2.7145 3.2112 3.2114 3.3479 3.3484 3.6471 3.6475 4.2565 4.2569 4.8113 4.8114 5.1031 5.1031 12.4433 12.4446 12.4735 12.4745 12.7807 12.7826 12.8651 12.8658 13.6749 13.6750 k = 0.0000 0.5590 0.0816 ( 4308 PWs) bands (ev): -13.4931 -13.4931 -13.1826 -13.1826 -10.6765 -10.6765 -10.3464 -10.3462 -8.6351 -8.6344 -8.6228 -8.6226 -3.1904 -3.1898 -2.7140 -2.7131 -1.5472 -1.5470 -1.3249 -1.3237 -0.4683 -0.4673 0.1337 0.1344 0.8018 0.8022 0.9270 0.9283 1.6477 1.6480 1.8584 1.8585 2.4422 2.4423 2.7200 2.7203 3.2232 3.2235 3.3556 3.3563 3.6430 3.6435 4.2593 4.2599 4.8114 4.8115 5.1006 5.1007 12.4097 12.4113 12.4336 12.4343 12.7704 12.7723 12.8866 12.8873 13.7017 13.7017 k = 0.0000 0.5590 0.0980 ( 4316 PWs) bands (ev): -13.4905 -13.4905 -13.1838 -13.1838 -10.6674 -10.6674 -10.3394 -10.3391 -8.6520 -8.6511 -8.6415 -8.6412 -3.1851 -3.1843 -2.7083 -2.7073 -1.5402 -1.5401 -1.2983 -1.2968 -0.4506 -0.4494 0.1284 0.1293 0.7824 0.7828 0.9078 0.9094 1.6455 1.6459 1.8657 1.8658 2.4242 2.4243 2.7266 2.7269 3.2365 3.2369 3.3650 3.3658 3.6379 3.6385 4.2626 4.2633 4.8115 4.8116 5.0976 5.0977 12.3735 12.3755 12.3901 12.3901 12.7577 12.7595 12.9093 12.9098 13.7286 13.7289 k = 0.0000 0.5590 0.1143 ( 4306 PWs) bands (ev): -13.4875 -13.4874 -13.1853 -13.1853 -10.6567 -10.6566 -10.3310 -10.3307 -8.6718 -8.6708 -8.6632 -8.6628 -3.1787 -3.1778 -2.7019 -2.7007 -1.5324 -1.5322 -1.2676 -1.2658 -0.4295 -0.4281 0.1219 0.1229 0.7613 0.7618 0.8864 0.8882 1.6424 1.6429 1.8730 1.8730 2.4048 2.4048 2.7338 2.7340 3.2507 3.2512 3.3760 3.3768 3.6319 3.6325 4.2664 4.2673 4.8115 4.8117 5.0940 5.0941 12.3347 12.3383 12.3438 12.3458 12.7429 12.7446 12.9325 12.9327 13.7537 13.7542 k = 0.0000 0.5590 0.1306 ( 4302 PWs) bands (ev): -13.4840 -13.4839 -13.1870 -13.1870 -10.6443 -10.6442 -10.3214 -10.3211 -8.6948 -8.6936 -8.6873 -8.6869 -3.1713 -3.1703 -2.6948 -2.6935 -1.5236 -1.5235 -1.2331 -1.2311 -0.4051 -0.4035 0.1138 0.1150 0.7393 0.7399 0.8633 0.8654 1.6383 1.6389 1.8796 1.8796 2.3845 2.3846 2.7413 2.7415 3.2653 3.2657 3.3884 3.3893 3.6249 3.6257 4.2706 4.2716 4.8115 4.8116 5.0899 5.0900 12.2914 12.2950 12.3026 12.3050 12.7264 12.7280 12.9556 12.9558 13.7751 13.7759 k = 0.0000 0.5590 0.1470 ( 4300 PWs) bands (ev): -13.4800 -13.4800 -13.1890 -13.1889 -10.6302 -10.6302 -10.3105 -10.3101 -8.7212 -8.7201 -8.7132 -8.7129 -3.1628 -3.1617 -2.6871 -2.6858 -1.5142 -1.5140 -1.1951 -1.1929 -0.3774 -0.3756 0.1042 0.1055 0.7171 0.7179 0.8390 0.8413 1.6331 1.6337 1.8849 1.8851 2.3642 2.3643 2.7489 2.7491 3.2796 3.2802 3.4022 3.4031 3.6171 3.6179 4.2751 4.2762 4.8113 4.8114 5.0853 5.0854 12.2453 12.2477 12.2664 12.2680 12.7086 12.7101 12.9781 12.9786 13.7921 13.7932 k = 0.0000 0.5590 0.1633 ( 4294 PWs) bands (ev): -13.4757 -13.4757 -13.1912 -13.1911 -10.6146 -10.6145 -10.2983 -10.2979 -8.7509 -8.7500 -8.7406 -8.7406 -3.1533 -3.1521 -2.6791 -2.6778 -1.5041 -1.5040 -1.1543 -1.1519 -0.3463 -0.3444 0.0928 0.0943 0.6956 0.6965 0.8138 0.8163 1.6267 1.6273 1.8885 1.8887 2.3444 2.3445 2.7563 2.7564 3.2935 3.2940 3.4171 3.4179 3.6085 3.6094 4.2797 4.2809 4.8109 4.8111 5.0801 5.0802 12.1997 12.2015 12.2322 12.2336 12.6900 12.6913 12.9998 13.0006 13.8045 13.8058 k = 0.0000 0.5590 0.1796 ( 4298 PWs) bands (ev): -13.4710 -13.4709 -13.1936 -13.1936 -10.5973 -10.5972 -10.2849 -10.2844 -8.7835 -8.7828 -8.7701 -8.7698 -3.1428 -3.1415 -2.6710 -2.6696 -1.4935 -1.4935 -1.1111 -1.1085 -0.3121 -0.3100 0.0796 0.0813 0.6756 0.6766 0.7882 0.7910 1.6190 1.6197 1.8897 1.8900 2.3258 2.3261 2.7631 2.7632 3.3064 3.3070 3.4326 3.4334 3.5996 3.6005 4.2842 4.2855 4.8105 4.8106 5.0743 5.0745 12.1559 12.1572 12.2005 12.2018 12.6710 12.6722 13.0202 13.0215 13.8126 13.8142 k = 0.0000 0.5590 0.1959 ( 4300 PWs) bands (ev): -13.4659 -13.4658 -13.1963 -13.1963 -10.5784 -10.5784 -10.2702 -10.2697 -8.8188 -8.8182 -8.8013 -8.8008 -3.1312 -3.1298 -2.6627 -2.6614 -1.4825 -1.4825 -1.0663 -1.0634 -0.2748 -0.2726 0.0648 0.0666 0.6576 0.6587 0.7627 0.7657 1.6102 1.6109 1.8879 1.8883 2.3090 2.3094 2.7692 2.7693 3.3181 3.3188 3.4481 3.4487 3.5910 3.5919 4.2886 4.2900 4.8098 4.8100 5.0681 5.0683 12.1149 12.1159 12.1719 12.1734 12.6521 12.6531 13.0389 13.0407 13.8173 13.8191 k = 0.0000 0.5590 0.2123 ( 4306 PWs) bands (ev): -13.4604 -13.4603 -13.1993 -13.1992 -10.5580 -10.5579 -10.2543 -10.2538 -8.8564 -8.8558 -8.8342 -8.8336 -3.1186 -3.1172 -2.6547 -2.6533 -1.4711 -1.4710 -1.0204 -1.0173 -0.2347 -0.2323 0.0484 0.0504 0.6422 0.6434 0.7377 0.7409 1.6002 1.6009 1.8827 1.8833 2.2946 2.2951 2.7742 2.7742 3.3284 3.3291 3.4621 3.4626 3.5840 3.5848 4.2926 4.2941 4.8091 4.8093 5.0613 5.0615 12.0774 12.0782 12.1470 12.1486 12.6336 12.6345 13.0556 13.0578 13.8197 13.8216 k = 0.0000 0.5590 0.2286 ( 4306 PWs) bands (ev): -13.4546 -13.4545 -13.2025 -13.2024 -10.5360 -10.5359 -10.2371 -10.2366 -8.8960 -8.8955 -8.8688 -8.8681 -3.1050 -3.1035 -2.6470 -2.6457 -1.4593 -1.4591 -0.9745 -0.9712 -0.1921 -0.1895 0.0309 0.0330 0.6300 0.6313 0.7135 0.7170 1.5890 1.5898 1.8738 1.8745 2.2828 2.2835 2.7779 2.7780 3.3372 3.3379 3.4724 3.4724 3.5811 3.5816 4.2960 4.2976 4.8084 4.8085 5.0540 5.0543 12.0441 12.0446 12.1264 12.1282 12.6160 12.6168 13.0696 13.0723 13.8206 13.8226 k = 0.0000 0.5590 0.2449 ( 4304 PWs) bands (ev): -13.4485 -13.4484 -13.2060 -13.2059 -10.5124 -10.5123 -10.2188 -10.2181 -8.9373 -8.9369 -8.9048 -8.9040 -3.0905 -3.0889 -2.6398 -2.6385 -1.4471 -1.4468 -0.9296 -0.9261 -0.1474 -0.1447 0.0129 0.0152 0.6212 0.6226 0.6906 0.6944 1.5768 1.5776 1.8610 1.8619 2.2740 2.2747 2.7800 2.7802 3.3442 3.3449 3.4754 3.4759 3.5850 3.5852 4.2985 4.3002 4.8076 4.8078 5.0462 5.0465 12.0155 12.0158 12.1104 12.1123 12.5995 12.6003 13.0806 13.0838 13.8209 13.8229 k = 0.0000 0.5590 0.2613 ( 4308 PWs) bands (ev): -13.4421 -13.4420 -13.2097 -13.2096 -10.4873 -10.4872 -10.1992 -10.1985 -8.9803 -8.9799 -8.9421 -8.9412 -3.0750 -3.0734 -2.6333 -2.6321 -1.4344 -1.4340 -0.8868 -0.8831 -0.1010 -0.0982 -0.0046 -0.0022 0.6162 0.6177 0.6695 0.6736 1.5636 1.5643 1.8445 1.8454 2.2681 2.2689 2.7805 2.7807 3.3495 3.3502 3.4706 3.4715 3.5967 3.5969 4.3000 4.3017 4.8070 4.8072 5.0380 5.0384 11.9921 11.9923 12.0995 12.1015 12.5846 12.5852 13.0882 13.0918 13.8211 13.8231 k = 0.0000 0.5590 0.2776 ( 4302 PWs) bands (ev): -13.4354 -13.4353 -13.2137 -13.2136 -10.4607 -10.4606 -10.1784 -10.1777 -9.0247 -9.0243 -8.9805 -8.9796 -3.0587 -3.0570 -2.6276 -2.6266 -1.4210 -1.4205 -0.8475 -0.8436 -0.0539 -0.0510 -0.0204 -0.0179 0.6150 0.6166 0.6509 0.6551 1.5493 1.5501 1.8243 1.8254 2.2649 2.2658 2.7790 2.7793 3.3530 3.3536 3.4595 3.4608 3.6147 3.6150 4.3002 4.3019 4.8066 4.8067 5.0293 5.0298 11.9742 11.9742 12.0938 12.0959 12.5713 12.5719 13.0920 13.0961 13.8216 13.8236 k = 0.0000 0.5590 0.2939 ( 4302 PWs) bands (ev): -13.4284 -13.4283 -13.2180 -13.2179 -10.4326 -10.4325 -10.1565 -10.1558 -9.0703 -9.0699 -9.0200 -9.0190 -3.0415 -3.0398 -2.6231 -2.6222 -1.4070 -1.4063 -0.8131 -0.8092 -0.0342 -0.0315 -0.0061 -0.0031 0.6178 0.6193 0.6353 0.6398 1.5341 1.5348 1.8009 1.8020 2.2642 2.2652 2.7754 2.7758 3.3547 3.3553 3.4446 3.4461 3.6368 3.6372 4.2988 4.3005 4.8066 4.8066 5.0203 5.0208 11.9621 11.9622 12.0935 12.0958 12.5599 12.5604 13.0917 13.0962 13.8225 13.8227 k = 0.0000 0.5590 0.3102 ( 4300 PWs) bands (ev): -13.4213 -13.4212 -13.2225 -13.2224 -10.4031 -10.4029 -10.1335 -10.1328 -9.1168 -9.1164 -9.0602 -9.0592 -3.0235 -3.0218 -2.6197 -2.6190 -1.3922 -1.3914 -0.7853 -0.7813 -0.0432 -0.0404 0.0400 0.0431 0.6225 0.6240 0.6274 0.6290 1.5180 1.5187 1.7746 1.7757 2.2658 2.2667 2.7696 2.7701 3.3547 3.3552 3.4274 3.4291 3.6615 3.6620 4.2957 4.2974 4.8069 4.8070 5.0110 5.0115 11.9561 11.9562 12.0988 12.1013 12.5505 12.5510 13.0872 13.0922 13.7787 13.7824 k = 0.0000 0.5590 0.3266 ( 4304 PWs) bands (ev): -13.4139 -13.4138 -13.2273 -13.2272 -10.3721 -10.3720 -10.1095 -10.1087 -9.1641 -9.1637 -9.1011 -9.1000 -3.0048 -3.0030 -2.6177 -2.6171 -1.3764 -1.3754 -0.7653 -0.7613 -0.0472 -0.0443 0.0838 0.0868 0.6165 0.6212 0.6363 0.6377 1.5010 1.5017 1.7457 1.7468 2.2692 2.2702 2.7614 2.7620 3.3531 3.3535 3.4091 3.4109 3.6880 3.6884 4.2907 4.2924 4.8079 4.8079 5.0014 5.0019 11.9564 11.9566 12.1096 12.1122 12.5432 12.5438 13.0786 13.0840 13.7212 13.7250 k = 0.0000 0.5590 0.3429 ( 4308 PWs) bands (ev): -13.4064 -13.4062 -13.2323 -13.2322 -10.3399 -10.3397 -10.0845 -10.0836 -9.2119 -9.2115 -9.1424 -9.1413 -2.9855 -2.9837 -2.6172 -2.6168 -1.3595 -1.3584 -0.7541 -0.7501 -0.0454 -0.0423 0.1235 0.1265 0.6162 0.6210 0.6514 0.6529 1.4831 1.4837 1.7145 1.7156 2.2745 2.2754 2.7507 2.7513 3.3500 3.3504 3.3904 3.3923 3.7156 3.7160 4.2837 4.2854 4.8094 4.8095 4.9916 4.9922 11.9630 11.9632 12.1258 12.1286 12.5381 12.5387 13.0657 13.0716 13.6574 13.6613 k = 0.0000 0.5590 0.3592 ( 4308 PWs) bands (ev): -13.3986 -13.3985 -13.2376 -13.2375 -10.3063 -10.3061 -10.0585 -10.0577 -9.2600 -9.2597 -9.1841 -9.1830 -2.9656 -2.9637 -2.6182 -2.6180 -1.3414 -1.3401 -0.7519 -0.7479 -0.0377 -0.0345 0.1576 0.1603 0.6234 0.6281 0.6708 0.6722 1.4642 1.4648 1.6813 1.6824 2.2813 2.2822 2.7374 2.7380 3.3456 3.3459 3.3719 3.3740 3.7440 3.7444 4.2746 4.2762 4.8116 4.8117 4.9817 4.9822 11.9760 11.9763 12.1473 12.1502 12.5351 12.5358 13.0488 13.0550 13.5890 13.5930 k = 0.0000 0.5590 0.3756 ( 4308 PWs) bands (ev): -13.3908 -13.3907 -13.2432 -13.2431 -10.2715 -10.2713 -10.0318 -10.0309 -9.3081 -9.3078 -9.2259 -9.2248 -2.9452 -2.9433 -2.6210 -2.6209 -1.3219 -1.3205 -0.7582 -0.7543 -0.0249 -0.0216 0.1845 0.1868 0.6391 0.6434 0.6943 0.6956 1.4445 1.4449 1.6463 1.6474 2.2897 2.2906 2.7215 2.7221 3.3401 3.3402 3.3541 3.3564 3.7730 3.7733 4.2635 4.2650 4.8145 4.8147 4.9716 4.9722 11.9954 11.9956 12.1736 12.1767 12.5342 12.5350 13.0277 13.0344 13.5183 13.5224 k = 0.0000 0.5590 0.3919 ( 4312 PWs) bands (ev): -13.3829 -13.3828 -13.2490 -13.2489 -10.2355 -10.2353 -10.0045 -10.0036 -9.3560 -9.3557 -9.2677 -9.2666 -2.9244 -2.9226 -2.6256 -2.6254 -1.3010 -1.2994 -0.7720 -0.7682 -0.0081 -0.0046 0.2037 0.2054 0.6632 0.6672 0.7218 0.7229 1.4237 1.4242 1.6097 1.6107 2.2997 2.3005 2.7029 2.7036 3.3335 3.3337 3.3375 3.3401 3.8023 3.8025 4.2503 4.2517 4.8182 4.8184 4.9615 4.9622 12.0209 12.0210 12.2042 12.2076 12.5352 12.5362 13.0024 13.0094 13.4475 13.4516 k = 0.0000 0.5590 0.4082 ( 4316 PWs) bands (ev): -13.3749 -13.3748 -13.2550 -13.2549 -10.1984 -10.1982 -9.9769 -9.9759 -9.4033 -9.4030 -9.3093 -9.3081 -2.9033 -2.9015 -2.6319 -2.6316 -1.2786 -1.2769 -0.7921 -0.7884 0.0115 0.0150 0.2155 0.2165 0.6950 0.6984 0.7529 0.7539 1.4021 1.4025 1.5716 1.5726 2.3112 2.3120 2.6819 2.6825 3.3225 3.3238 3.3265 3.3277 3.8318 3.8319 4.2352 4.2365 4.8225 4.8228 4.9515 4.9521 12.0524 12.0525 12.2385 12.2421 12.5379 12.5392 12.9724 12.9797 13.3793 13.3832 k = 0.0000 0.5590 0.4245 ( 4318 PWs) bands (ev): -13.3668 -13.3667 -13.2613 -13.2612 -10.1604 -10.1602 -9.9493 -9.9484 -9.4494 -9.4491 -9.3505 -9.3493 -2.8821 -2.8803 -2.6400 -2.6395 -1.2547 -1.2528 -0.8170 -0.8134 0.0324 0.0359 0.2208 0.2212 0.7325 0.7354 0.7871 0.7879 1.3797 1.3800 1.5323 1.5332 2.3244 2.3251 2.6586 2.6593 3.3093 3.3113 3.3189 3.3197 3.8613 3.8614 4.2182 4.2194 4.8275 4.8278 4.9415 4.9421 12.0895 12.0896 12.2755 12.2793 12.5422 12.5437 12.9371 12.9444 13.3166 13.3202 k = 0.0000 0.5590 0.4409 ( 4308 PWs) bands (ev): -13.3588 -13.3586 -13.2678 -13.2677 -10.1216 -10.1214 -9.9225 -9.9216 -9.4936 -9.4933 -9.3911 -9.3899 -2.8608 -2.8590 -2.6498 -2.6491 -1.2292 -1.2271 -0.8455 -0.8421 0.0537 0.0572 0.2208 0.2210 0.7738 0.7761 0.8236 0.8242 1.3568 1.3570 1.4921 1.4929 2.3393 2.3399 2.6334 2.6340 3.2983 3.3003 3.3112 3.3121 3.8907 3.8908 4.1995 4.2006 4.8331 4.8335 4.9316 4.9323 12.1318 12.1320 12.3140 12.3180 12.5477 12.5494 12.8958 12.9027 13.2627 13.2657 k = 0.0000 0.5590 0.4572 ( 4308 PWs) bands (ev): -13.3507 -13.3505 -13.2746 -13.2744 -10.0822 -10.0820 -9.8977 -9.8967 -9.5346 -9.5342 -9.4308 -9.4297 -2.8396 -2.8378 -2.6612 -2.6604 -1.2021 -1.1999 -0.8767 -0.8734 0.0746 0.0780 0.2166 0.2174 0.8165 0.8185 0.8612 0.8615 1.3338 1.3340 1.4513 1.4521 2.3560 2.3566 2.6067 2.6073 3.2894 3.2914 3.3036 3.3046 3.9199 3.9199 4.1792 4.1802 4.8392 4.8397 4.9219 4.9225 12.1788 12.1791 12.3523 12.3565 12.5539 12.5560 12.8481 12.8542 13.2205 13.2225 k = 0.0000 0.5590 0.4735 ( 4312 PWs) bands (ev): -13.3426 -13.3425 -13.2815 -13.2814 -10.0426 -10.0423 -9.8767 -9.8758 -9.5703 -9.5699 -9.4693 -9.4682 -2.8186 -2.8168 -2.6742 -2.6732 -1.1735 -1.1712 -0.9096 -0.9064 0.0947 0.0980 0.2095 0.2107 0.8588 0.8605 0.8982 0.8983 1.3117 1.3119 1.4107 1.4115 2.3747 2.3752 2.5789 2.5794 3.2827 3.2847 3.2964 3.2975 3.9488 3.9489 4.1575 4.1584 4.8459 4.8464 4.9123 4.9130 12.2296 12.2301 12.3881 12.3924 12.5606 12.5629 12.7948 12.7999 13.1920 13.1929 k = 0.0000 0.5590 0.4899 ( 4316 PWs) bands (ev): -13.3346 -13.3345 -13.2887 -13.2885 -10.0031 -10.0028 -9.8631 -9.8622 -9.5973 -9.5969 -9.5060 -9.5049 -2.7978 -2.7962 -2.6886 -2.6874 -1.1435 -1.1410 -0.9436 -0.9404 0.1137 0.1168 0.2002 0.2019 0.8985 0.9000 0.9319 0.9321 1.2923 1.2925 1.3713 1.3721 2.3952 2.3956 2.5506 2.5511 3.2782 3.2802 3.2898 3.2911 3.9773 3.9774 4.1346 4.1354 4.8530 4.8535 4.9030 4.9037 12.2832 12.2837 12.4185 12.4227 12.5673 12.5699 12.7384 12.7423 13.1781 13.1785 k = 0.0000 0.5590 0.5062 ( 4316 PWs) bands (ev): -13.3267 -13.3265 -13.2960 -13.2958 -9.9646 -9.9643 -9.8609 -9.8602 -9.6115 -9.6108 -9.5403 -9.5392 -2.7776 -2.7760 -2.7043 -2.7030 -1.1122 -1.1096 -0.9780 -0.9750 0.1314 0.1343 0.1892 0.1912 0.9332 0.9345 0.9587 0.9591 1.2784 1.2788 1.3349 1.3357 2.4176 2.4180 2.5222 2.5227 3.2758 3.2777 3.2842 3.2857 4.0053 4.0055 4.1105 4.1112 4.8605 4.8611 4.8939 4.8946 12.3374 12.3380 12.4394 12.4431 12.5745 12.5772 12.6831 12.6855 13.1789 13.1802 k = 0.0000 0.5590 0.5225 ( 4320 PWs) bands (ev): -13.3188 -13.3187 -13.3034 -13.3033 -9.9284 -9.9280 -9.8727 -9.8721 -9.6101 -9.6094 -9.5707 -9.5697 -2.7580 -2.7565 -2.7212 -2.7198 -1.0798 -1.0771 -1.0124 -1.0095 0.1478 0.1506 0.1767 0.1790 0.9599 0.9610 0.9742 0.9748 1.2742 1.2747 1.3042 1.3049 2.4417 2.4421 2.4944 2.4948 3.2754 3.2772 3.2798 3.2814 4.0327 4.0330 4.0854 4.0860 4.8684 4.8690 4.8851 4.8858 12.3883 12.3885 12.4445 12.4471 12.5842 12.5866 12.6356 12.6363 13.1952 13.1972 k = 0.0000 0.5590 0.5388 ( 4316 PWs) bands (ev): -13.3111 -13.3111 -13.3109 -13.3109 -9.8966 -9.8966 -9.8961 -9.8961 -9.5952 -9.5952 -9.5943 -9.5943 -2.7391 -2.7391 -2.7377 -2.7377 -1.0465 -1.0465 -1.0436 -1.0436 0.1629 0.1629 0.1655 0.1655 0.9746 0.9746 0.9755 0.9755 1.2829 1.2829 1.2835 1.2835 2.4674 2.4674 2.4678 2.4678 3.2768 3.2768 3.2785 3.2785 4.0594 4.0594 4.0599 4.0599 4.8766 4.8766 4.8772 4.8772 12.4273 12.4273 12.4282 12.4282 12.6023 12.6023 12.6035 12.6035 13.2264 13.2264 k = 0.0000 0.5590 0.5388 ( 4316 PWs) bands (ev): -13.3111 -13.3111 -13.3109 -13.3109 -9.8966 -9.8966 -9.8961 -9.8961 -9.5952 -9.5952 -9.5943 -9.5943 -2.7391 -2.7391 -2.7377 -2.7377 -1.0465 -1.0465 -1.0436 -1.0436 0.1629 0.1629 0.1655 0.1655 0.9746 0.9746 0.9755 0.9755 1.2829 1.2829 1.2835 1.2835 2.4674 2.4674 2.4678 2.4678 3.2768 3.2768 3.2785 3.2785 4.0594 4.0594 4.0599 4.0599 4.8766 4.8766 4.8772 4.8772 12.4273 12.4273 12.4282 12.4282 12.6023 12.6023 12.6035 12.6035 13.2264 13.2264 k = 0.0165 0.5590 0.5388 ( 4316 PWs) bands (ev): -13.3109 -13.3109 -13.3108 -13.3108 -9.8989 -9.8989 -9.8984 -9.8984 -9.5931 -9.5931 -9.5922 -9.5922 -2.7374 -2.7374 -2.7359 -2.7359 -1.0499 -1.0499 -1.0471 -1.0471 0.1649 0.1649 0.1675 0.1675 0.9725 0.9725 0.9743 0.9743 1.2844 1.2844 1.2864 1.2864 2.4663 2.4663 2.4670 2.4670 3.2778 3.2778 3.2796 3.2796 4.0600 4.0600 4.0605 4.0605 4.8747 4.8747 4.8754 4.8754 12.4265 12.4265 12.4278 12.4278 12.6027 12.6027 12.6045 12.6045 13.2257 13.2257 k = 0.0329 0.5590 0.5388 ( 4312 PWs) bands (ev): -13.3104 -13.3104 -13.3103 -13.3103 -9.9058 -9.9058 -9.9051 -9.9051 -9.5872 -9.5872 -9.5861 -9.5861 -2.7322 -2.7322 -2.7307 -2.7307 -1.0602 -1.0602 -1.0574 -1.0574 0.1708 0.1708 0.1734 0.1734 0.9671 0.9671 0.9702 0.9702 1.2899 1.2899 1.2937 1.2937 2.4632 2.4632 2.4643 2.4643 3.2809 3.2809 3.2828 3.2828 4.0617 4.0617 4.0623 4.0623 4.8692 4.8692 4.8700 4.8700 12.4245 12.4245 12.4265 12.4265 12.6042 12.6042 12.6069 12.6069 13.2237 13.2237 k = 0.0494 0.5590 0.5388 ( 4310 PWs) bands (ev): -13.3097 -13.3097 -13.3096 -13.3096 -9.9166 -9.9166 -9.9157 -9.9157 -9.5778 -9.5778 -9.5766 -9.5766 -2.7235 -2.7235 -2.7220 -2.7220 -1.0771 -1.0771 -1.0743 -1.0743 0.1803 0.1803 0.1831 0.1831 0.9590 0.9590 0.9633 0.9633 1.2994 1.2994 1.3048 1.3048 2.4582 2.4582 2.4598 2.4598 3.2860 3.2860 3.2881 3.2881 4.0646 4.0646 4.0654 4.0654 4.8600 4.8600 4.8611 4.8611 12.4214 12.4214 12.4242 12.4242 12.6070 12.6070 12.6107 12.6107 13.2204 13.2204 k = 0.0658 0.5590 0.5388 ( 4304 PWs) bands (ev): -13.3087 -13.3087 -13.3085 -13.3085 -9.9306 -9.9306 -9.9295 -9.9295 -9.5656 -9.5656 -9.5643 -9.5643 -2.7115 -2.7115 -2.7099 -2.7099 -1.1001 -1.1001 -1.0974 -1.0974 0.1931 0.1931 0.1960 0.1960 0.9489 0.9489 0.9542 0.9542 1.3122 1.3122 1.3189 1.3189 2.4516 2.4516 2.4537 2.4537 3.2929 3.2929 3.2950 3.2950 4.0687 4.0687 4.0697 4.0697 4.8474 4.8474 4.8487 4.8487 12.4175 12.4175 12.4209 12.4209 12.6108 12.6108 12.6155 12.6155 13.2158 13.2158 k = 0.0823 0.5590 0.5388 ( 4302 PWs) bands (ev): -13.3074 -13.3074 -13.3072 -13.3072 -9.9472 -9.9472 -9.9460 -9.9460 -9.5513 -9.5513 -9.5499 -9.5499 -2.6961 -2.6961 -2.6944 -2.6944 -1.1290 -1.1290 -1.1263 -1.1263 0.2089 0.2089 0.2119 0.2119 0.9373 0.9373 0.9433 0.9433 1.3278 1.3278 1.3356 1.3356 2.4435 2.4435 2.4460 2.4460 3.3012 3.3012 3.3035 3.3035 4.0742 4.0742 4.0753 4.0753 4.8314 4.8314 4.8329 4.8329 12.4129 12.4129 12.4168 12.4168 12.6156 12.6156 12.6211 12.6211 13.2103 13.2103 k = 0.0987 0.5590 0.5388 ( 4296 PWs) bands (ev): -13.3058 -13.3058 -13.3056 -13.3056 -9.9657 -9.9657 -9.9644 -9.9644 -9.5354 -9.5354 -9.5339 -9.5339 -2.6774 -2.6774 -2.6757 -2.6757 -1.1630 -1.1630 -1.1604 -1.1604 0.2270 0.2270 0.2302 0.2302 0.9247 0.9247 0.9312 0.9312 1.3456 1.3456 1.3543 1.3543 2.4342 2.4342 2.4371 2.4371 3.3107 3.3107 3.3131 3.3131 4.0810 4.0810 4.0823 4.0823 4.8123 4.8123 4.8141 4.8141 12.4075 12.4075 12.4118 12.4118 12.6212 12.6212 12.6275 12.6275 13.2039 13.2039 k = 0.1152 0.5590 0.5388 ( 4294 PWs) bands (ev): -13.3040 -13.3040 -13.3038 -13.3038 -9.9857 -9.9857 -9.9843 -9.9843 -9.5184 -9.5184 -9.5169 -9.5169 -2.6555 -2.6555 -2.6537 -2.6537 -1.2018 -1.2018 -1.1992 -1.1992 0.2470 0.2470 0.2503 0.2503 0.9115 0.9115 0.9184 0.9184 1.3651 1.3651 1.3744 1.3744 2.4239 2.4239 2.4272 2.4272 3.3210 3.3210 3.3235 3.3235 4.0892 4.0892 4.0907 4.0907 4.7903 4.7903 4.7923 4.7923 12.4016 12.4016 12.4061 12.4061 12.6275 12.6275 12.6345 12.6345 13.1968 13.1968 k = 0.1316 0.5590 0.5388 ( 4292 PWs) bands (ev): -13.3020 -13.3020 -13.3018 -13.3018 -10.0066 -10.0066 -10.0052 -10.0052 -9.5007 -9.5007 -9.4991 -9.4991 -2.6305 -2.6305 -2.6286 -2.6286 -1.2448 -1.2448 -1.2423 -1.2423 0.2684 0.2684 0.2719 0.2719 0.8981 0.8981 0.9052 0.9052 1.3858 1.3858 1.3957 1.3957 2.4130 2.4130 2.4165 2.4165 3.3317 3.3317 3.3343 3.3343 4.0990 4.0990 4.1006 4.1006 4.7657 4.7657 4.7679 4.7679 12.3950 12.3950 12.3998 12.3998 12.6343 12.6343 12.6419 12.6419 13.1892 13.1892 k = 0.1481 0.5590 0.5388 ( 4292 PWs) bands (ev): -13.2998 -13.2998 -13.2996 -13.2996 -10.0282 -10.0282 -10.0268 -10.0268 -9.4824 -9.4824 -9.4808 -9.4808 -2.6025 -2.6025 -2.6006 -2.6006 -1.2915 -1.2915 -1.2891 -1.2891 0.2908 0.2908 0.2945 0.2945 0.8848 0.8848 0.8919 0.8919 1.4074 1.4074 1.4177 1.4177 2.4015 2.4015 2.4053 2.4053 3.3426 3.3426 3.3451 3.3451 4.1103 4.1103 4.1120 4.1120 4.7387 4.7387 4.7411 4.7411 12.3878 12.3878 12.3926 12.3926 12.6414 12.6414 12.6496 12.6496 13.1815 13.1815 k = 0.1645 0.5590 0.5388 ( 4292 PWs) bands (ev): -13.2974 -13.2974 -13.2972 -13.2972 -10.0503 -10.0503 -10.0488 -10.0488 -9.4639 -9.4639 -9.4623 -9.4623 -2.5716 -2.5716 -2.5697 -2.5697 -1.3416 -1.3416 -1.3391 -1.3391 0.3138 0.3138 0.3177 0.3177 0.8716 0.8716 0.8788 0.8788 1.4295 1.4295 1.4402 1.4402 2.3899 2.3899 2.3938 2.3938 3.3531 3.3531 3.3555 3.3555 4.1232 4.1232 4.1251 4.1251 4.7097 4.7097 4.7123 4.7123 12.3799 12.3799 12.3847 12.3847 12.6489 12.6489 12.6576 12.6576 13.1738 13.1738 k = 0.1810 0.5590 0.5388 ( 4288 PWs) bands (ev): -13.2949 -13.2949 -13.2947 -13.2947 -10.0725 -10.0725 -10.0710 -10.0710 -9.4453 -9.4453 -9.4436 -9.4436 -2.5381 -2.5381 -2.5360 -2.5360 -1.3945 -1.3945 -1.3921 -1.3921 0.3371 0.3371 0.3410 0.3410 0.8590 0.8590 0.8661 0.8661 1.4518 1.4518 1.4627 1.4627 2.3783 2.3783 2.3824 2.3824 3.3630 3.3630 3.3653 3.3653 4.1379 4.1379 4.1399 4.1399 4.6790 4.6790 4.6818 4.6818 12.3710 12.3710 12.3759 12.3759 12.6566 12.6566 12.6658 12.6658 13.1665 13.1665 k = 0.1974 0.5590 0.5388 ( 4294 PWs) bands (ev): -13.2923 -13.2923 -13.2922 -13.2922 -10.0946 -10.0946 -10.0932 -10.0932 -9.4266 -9.4266 -9.4249 -9.4249 -2.5019 -2.5019 -2.4998 -2.4998 -1.4500 -1.4500 -1.4476 -1.4476 0.3602 0.3602 0.3643 0.3643 0.8469 0.8469 0.8540 0.8540 1.4740 1.4740 1.4852 1.4852 2.3670 2.3670 2.3712 2.3712 3.3721 3.3721 3.3741 3.3741 4.1542 4.1542 4.1564 4.1564 4.6469 4.6469 4.6499 4.6499 12.3613 12.3613 12.3661 12.3661 12.6644 12.6644 12.6740 12.6740 13.1598 13.1598 k = 0.2139 0.5590 0.5388 ( 4302 PWs) bands (ev): -13.2896 -13.2896 -13.2895 -13.2895 -10.1166 -10.1166 -10.1152 -10.1152 -9.4079 -9.4079 -9.4063 -9.4063 -2.4634 -2.4634 -2.4612 -2.4612 -1.5076 -1.5076 -1.5053 -1.5053 0.3830 0.3830 0.3873 0.3873 0.8356 0.8356 0.8425 0.8425 1.4959 1.4959 1.5072 1.5072 2.3563 2.3563 2.3605 2.3605 3.3799 3.3799 3.3818 3.3818 4.1722 4.1722 4.1745 4.1745 4.6140 4.6140 4.6172 4.6172 12.3504 12.3504 12.3551 12.3551 12.6722 12.6722 12.6821 12.6821 13.1541 13.1541 k = 0.2303 0.5590 0.5388 ( 4290 PWs) bands (ev): -13.2870 -13.2870 -13.2868 -13.2868 -10.1383 -10.1383 -10.1368 -10.1368 -9.3894 -9.3894 -9.3878 -9.3878 -2.4226 -2.4226 -2.4204 -2.4204 -1.5672 -1.5672 -1.5649 -1.5649 0.4052 0.4052 0.4095 0.4095 0.8252 0.8252 0.8320 0.8320 1.5170 1.5170 1.5284 1.5284 2.3463 2.3463 2.3506 2.3506 3.3863 3.3863 3.3880 3.3880 4.1917 4.1917 4.1941 4.1941 4.5807 4.5807 4.5840 4.5840 12.3383 12.3383 12.3430 12.3430 12.6797 12.6797 12.6899 12.6899 13.1498 13.1498 k = 0.2468 0.5590 0.5388 ( 4298 PWs) bands (ev): -13.2843 -13.2843 -13.2842 -13.2842 -10.1594 -10.1594 -10.1580 -10.1580 -9.3711 -9.3711 -9.3694 -9.3694 -2.3798 -2.3798 -2.3775 -2.3775 -1.6285 -1.6285 -1.6261 -1.6261 0.4265 0.4265 0.4309 0.4309 0.8159 0.8159 0.8225 0.8225 1.5371 1.5371 1.5486 1.5486 2.3374 2.3374 2.3417 2.3417 3.3912 3.3912 3.3926 3.3926 4.2125 4.2125 4.2151 4.2151 4.5475 4.5475 4.5509 4.5509 12.3250 12.3250 12.3296 12.3296 12.6867 12.6867 12.6971 12.6971 13.1472 13.1472 k = 0.2633 0.5590 0.5388 ( 4294 PWs) bands (ev): -13.2817 -13.2817 -13.2816 -13.2816 -10.1800 -10.1800 -10.1786 -10.1786 -9.3530 -9.3530 -9.3513 -9.3513 -2.3353 -2.3353 -2.3329 -2.3329 -1.6910 -1.6910 -1.6887 -1.6887 0.4466 0.4466 0.4511 0.4511 0.8078 0.8078 0.8142 0.8142 1.5559 1.5559 1.5674 1.5674 2.3299 2.3299 2.3341 2.3341 3.3945 3.3945 3.3957 3.3957 4.2342 4.2342 4.2369 4.2369 4.5151 4.5151 4.5185 4.5185 12.3102 12.3102 12.3147 12.3147 12.6931 12.6931 12.7036 12.7036 13.1467 13.1467 k = 0.2797 0.5590 0.5388 ( 4294 PWs) bands (ev): -13.2792 -13.2792 -13.2791 -13.2791 -10.1998 -10.1998 -10.1984 -10.1984 -9.3351 -9.3351 -9.3334 -9.3334 -2.2892 -2.2892 -2.2868 -2.2868 -1.7547 -1.7547 -1.7523 -1.7523 0.4654 0.4654 0.4699 0.4699 0.8013 0.8013 0.8075 0.8075 1.5729 1.5729 1.5844 1.5844 2.3241 2.3241 2.3282 2.3282 3.3962 3.3962 3.3971 3.3971 4.2560 4.2560 4.2589 4.2589 4.4845 4.4845 4.4878 4.4878 12.2940 12.2940 12.2985 12.2985 12.6985 12.6985 12.7090 12.7090 13.1486 13.1486 k = 0.2962 0.5590 0.5388 ( 4306 PWs) bands (ev): -13.2768 -13.2768 -13.2767 -13.2767 -10.2188 -10.2188 -10.2174 -10.2174 -9.3174 -9.3174 -9.3158 -9.3158 -2.2420 -2.2420 -2.2397 -2.2397 -1.8190 -1.8190 -1.8167 -1.8167 0.4824 0.4824 0.4870 0.4870 0.7964 0.7964 0.8024 0.8024 1.5877 1.5877 1.5992 1.5992 2.3202 2.3202 2.3243 2.3243 3.3963 3.3963 3.3969 3.3969 4.2762 4.2762 4.2793 4.2793 4.4576 4.4576 4.4607 4.4607 12.2763 12.2763 12.2807 12.2807 12.7026 12.7026 12.7132 12.7132 13.1531 13.1531 k = 0.3126 0.5590 0.5388 ( 4308 PWs) bands (ev): -13.2746 -13.2746 -13.2745 -13.2745 -10.2369 -10.2369 -10.2355 -10.2355 -9.3000 -9.3000 -9.2984 -9.2984 -2.1943 -2.1943 -2.1921 -2.1921 -1.8832 -1.8832 -1.8811 -1.8811 0.4973 0.4973 0.5020 0.5020 0.7936 0.7936 0.7994 0.7994 1.5999 1.5999 1.6115 1.6115 2.3186 2.3186 2.3226 2.3226 3.3948 3.3948 3.3953 3.3953 4.2915 4.2915 4.2947 4.2947 4.4380 4.4380 4.4405 4.4405 12.2572 12.2572 12.2615 12.2615 12.7054 12.7054 12.7158 12.7158 13.1604 13.1604 k = 0.3291 0.5590 0.5388 ( 4310 PWs) bands (ev): -13.2727 -13.2727 -13.2726 -13.2726 -10.2539 -10.2539 -10.2526 -10.2526 -9.2829 -9.2829 -9.2813 -9.2813 -2.1481 -2.1481 -2.1463 -2.1463 -1.9454 -1.9454 -1.9438 -1.9438 0.5100 0.5100 0.5146 0.5146 0.7932 0.7932 0.7988 0.7988 1.6092 1.6092 1.6207 1.6207 2.3197 2.3197 2.3235 2.3235 3.3920 3.3920 3.3923 3.3923 4.2963 4.2963 4.2995 4.2995 4.4314 4.4314 4.4329 4.4329 12.2366 12.2366 12.2409 12.2409 12.7066 12.7066 12.7168 12.7168 13.1705 13.1705 k = 0.3455 0.5590 0.5388 ( 4302 PWs) bands (ev): -13.2709 -13.2709 -13.2708 -13.2708 -10.2698 -10.2698 -10.2685 -10.2685 -9.2660 -9.2660 -9.2645 -9.2645 -2.1118 -2.1118 -2.1112 -2.1112 -1.9965 -1.9965 -1.9964 -1.9964 0.5199 0.5199 0.5246 0.5246 0.7955 0.7955 0.8009 0.8009 1.6152 1.6152 1.6266 1.6266 2.3236 2.3236 2.3274 2.3274 3.3880 3.3880 3.3881 3.3881 4.2874 4.2874 4.2906 4.2906 4.4404 4.4404 4.4413 4.4413 12.2146 12.2146 12.2189 12.2189 12.7061 12.7061 12.7162 12.7162 13.1832 13.1832 k = 0.3455 0.5590 0.5388 ( 4302 PWs) bands (ev): -13.2709 -13.2709 -13.2708 -13.2708 -10.2698 -10.2698 -10.2685 -10.2685 -9.2660 -9.2660 -9.2645 -9.2645 -2.1118 -2.1118 -2.1112 -2.1112 -1.9965 -1.9965 -1.9964 -1.9964 0.5199 0.5199 0.5246 0.5246 0.7955 0.7955 0.8009 0.8009 1.6152 1.6152 1.6266 1.6266 2.3236 2.3236 2.3274 2.3274 3.3880 3.3880 3.3881 3.3881 4.2874 4.2874 4.2906 4.2906 4.4404 4.4404 4.4413 4.4413 12.2146 12.2146 12.2189 12.2189 12.7061 12.7061 12.7162 12.7162 13.1832 13.1832 k = 0.3369 0.5450 0.5388 ( 4310 PWs) bands (ev): -13.2740 -13.2740 -13.2739 -13.2739 -10.2400 -10.2400 -10.2386 -10.2386 -9.2980 -9.2980 -9.2964 -9.2964 -2.1531 -2.1531 -2.1526 -2.1526 -1.9249 -1.9249 -1.9248 -1.9248 0.5028 0.5028 0.5075 0.5075 0.7884 0.7884 0.7941 0.7941 1.6077 1.6077 1.6192 1.6192 2.3138 2.3138 2.3178 2.3178 3.3962 3.3962 3.3965 3.3965 4.3161 4.3161 4.3193 4.3193 4.4110 4.4110 4.4118 4.4118 12.2564 12.2564 12.2607 12.2607 12.7079 12.7079 12.7183 12.7183 13.1586 13.1586 k = 0.3282 0.5310 0.5388 ( 4298 PWs) bands (ev): -13.2772 -13.2772 -13.2771 -13.2771 -10.2088 -10.2088 -10.2074 -10.2074 -9.3304 -9.3304 -9.3288 -9.3288 -2.1966 -2.1966 -2.1960 -2.1960 -1.8517 -1.8517 -1.8515 -1.8515 0.4839 0.4839 0.4885 0.4885 0.7812 0.7812 0.7873 0.7873 1.6012 1.6012 1.6128 1.6128 2.3052 2.3052 2.3093 2.3093 3.4037 3.4037 3.4042 3.4042 4.3461 4.3461 4.3492 4.3492 4.3824 4.3824 4.3832 4.3832 12.2947 12.2947 12.2990 12.2990 12.7078 12.7078 12.7185 12.7185 13.1385 13.1385 k = 0.3196 0.5171 0.5388 ( 4310 PWs) bands (ev): -13.2805 -13.2805 -13.2804 -13.2804 -10.1763 -10.1763 -10.1748 -10.1748 -9.3631 -9.3631 -9.3615 -9.3615 -2.2420 -2.2420 -2.2415 -2.2415 -1.7773 -1.7773 -1.7769 -1.7769 0.4631 0.4631 0.4675 0.4675 0.7740 0.7740 0.7804 0.7804 1.5959 1.5959 1.6075 1.6075 2.2979 2.2979 2.3023 2.3023 3.4103 3.4103 3.4111 3.4111 4.3542 4.3542 4.3552 4.3552 4.3776 4.3776 4.3809 4.3809 12.3280 12.3280 12.3322 12.3322 12.7053 12.7053 12.7163 12.7163 13.1245 13.1245 k = 0.3110 0.5031 0.5388 ( 4306 PWs) bands (ev): -13.2840 -13.2840 -13.2839 -13.2839 -10.1425 -10.1425 -10.1410 -10.1410 -9.3960 -9.3960 -9.3943 -9.3943 -2.2893 -2.2893 -2.2889 -2.2889 -1.7018 -1.7018 -1.7013 -1.7013 0.4403 0.4403 0.4446 0.4446 0.7668 0.7668 0.7735 0.7735 1.5919 1.5919 1.6035 1.6035 2.2921 2.2921 2.2967 2.2967 3.4162 3.4162 3.4171 3.4171 4.3277 4.3277 4.3286 4.3286 4.4099 4.4099 4.4130 4.4130 12.3548 12.3548 12.3587 12.3587 12.6997 12.6997 12.7110 12.7110 13.1182 13.1182 k = 0.3023 0.4891 0.5388 ( 4306 PWs) bands (ev): -13.2876 -13.2876 -13.2874 -13.2874 -10.1075 -10.1075 -10.1059 -10.1059 -9.4289 -9.4289 -9.4272 -9.4272 -2.3385 -2.3385 -2.3381 -2.3381 -1.6257 -1.6257 -1.6250 -1.6250 0.4156 0.4156 0.4198 0.4198 0.7595 0.7595 0.7665 0.7665 1.5894 1.5894 1.6008 1.6008 2.2879 2.2879 2.2927 2.2927 3.4212 3.4212 3.4224 3.4224 4.3023 4.3023 4.3031 4.3031 4.4433 4.4433 4.4462 4.4462 12.3735 12.3735 12.3772 12.3772 12.6905 12.6905 12.7020 12.7020 13.1210 13.1210 k = 0.2937 0.4751 0.5388 ( 4308 PWs) bands (ev): -13.2913 -13.2913 -13.2911 -13.2911 -10.0713 -10.0713 -10.0697 -10.0697 -9.4617 -9.4617 -9.4600 -9.4600 -2.3895 -2.3895 -2.3891 -2.3891 -1.5491 -1.5491 -1.5482 -1.5482 0.3891 0.3891 0.3930 0.3930 0.7523 0.7523 0.7597 0.7597 1.5883 1.5883 1.5995 1.5995 2.2855 2.2855 2.2904 2.2904 3.4255 3.4255 3.4270 3.4270 4.2782 4.2782 4.2790 4.2790 4.4775 4.4775 4.4803 4.4803 12.3836 12.3836 12.3869 12.3869 12.6773 12.6773 12.6889 12.6889 13.1334 13.1334 k = 0.2851 0.4612 0.5388 ( 4304 PWs) bands (ev): -13.2950 -13.2950 -13.2949 -13.2949 -10.0339 -10.0339 -10.0323 -10.0323 -9.4944 -9.4944 -9.4927 -9.4927 -2.4422 -2.4422 -2.4419 -2.4419 -1.4724 -1.4724 -1.4714 -1.4714 0.3608 0.3608 0.3645 0.3645 0.7451 0.7451 0.7529 0.7529 1.5888 1.5888 1.5998 1.5998 2.2848 2.2848 2.2899 2.2899 3.4291 3.4291 3.4309 3.4309 4.2554 4.2554 4.2562 4.2562 4.5125 4.5125 4.5151 4.5151 12.3850 12.3850 12.3879 12.3879 12.6597 12.6597 12.6714 12.6714 13.1553 13.1553 k = 0.2764 0.4472 0.5388 ( 4300 PWs) bands (ev): -13.2989 -13.2989 -13.2988 -13.2988 -9.9956 -9.9956 -9.9939 -9.9939 -9.5268 -9.5268 -9.5251 -9.5251 -2.4965 -2.4965 -2.4962 -2.4962 -1.3960 -1.3960 -1.3947 -1.3947 0.3309 0.3309 0.3343 0.3343 0.7381 0.7381 0.7461 0.7461 1.5909 1.5909 1.6016 1.6016 2.2860 2.2860 2.2914 2.2914 3.4321 3.4321 3.4342 3.4342 4.2341 4.2341 4.2347 4.2347 4.5481 4.5481 4.5505 4.5505 12.3785 12.3785 12.3810 12.3810 12.6374 12.6374 12.6491 12.6491 13.1857 13.1857 k = 0.2678 0.4332 0.5388 ( 4300 PWs) bands (ev): -13.3029 -13.3029 -13.3028 -13.3028 -9.9562 -9.9562 -9.9544 -9.9544 -9.5588 -9.5588 -9.5572 -9.5572 -2.5523 -2.5523 -2.5521 -2.5521 -1.3200 -1.3200 -1.3184 -1.3184 0.2995 0.2995 0.3027 0.3027 0.7312 0.7312 0.7396 0.7396 1.5945 1.5945 1.6049 1.6049 2.2891 2.2891 2.2947 2.2947 3.4345 3.4345 3.4370 3.4370 4.2141 4.2141 4.2148 4.2148 4.5841 4.5841 4.5864 4.5864 12.3654 12.3654 12.3676 12.3676 12.6106 12.6106 12.6222 12.6222 13.2228 13.2228 k = 0.2591 0.4192 0.5388 ( 4304 PWs) bands (ev): -13.3069 -13.3069 -13.3068 -13.3068 -9.9159 -9.9159 -9.9141 -9.9141 -9.5904 -9.5904 -9.5888 -9.5888 -2.6096 -2.6096 -2.6094 -2.6094 -1.2448 -1.2448 -1.2430 -1.2430 0.2668 0.2668 0.2697 0.2697 0.7245 0.7245 0.7332 0.7332 1.5996 1.5996 1.6096 1.6096 2.2943 2.2943 2.3001 2.3001 3.4365 3.4365 3.4392 3.4392 4.1956 4.1956 4.1962 4.1962 4.6204 4.6204 4.6225 4.6225 12.3474 12.3474 12.3493 12.3493 12.5793 12.5793 12.5908 12.5908 13.2647 13.2647 k = 0.2505 0.4053 0.5388 ( 4300 PWs) bands (ev): -13.3110 -13.3110 -13.3109 -13.3109 -9.8748 -9.8748 -9.8730 -9.8730 -9.6215 -9.6215 -9.6199 -9.6199 -2.6680 -2.6680 -2.6680 -2.6680 -1.1707 -1.1707 -1.1686 -1.1686 0.2331 0.2331 0.2357 0.2357 0.7180 0.7180 0.7271 0.7271 1.6061 1.6061 1.6158 1.6158 2.3014 2.3014 2.3074 2.3074 3.4380 3.4380 3.4411 3.4411 4.1786 4.1786 4.1791 4.1791 4.6569 4.6569 4.6589 4.6589 12.3259 12.3259 12.3275 12.3275 12.5438 12.5438 12.5550 12.5550 13.3093 13.3093 k = 0.2419 0.3913 0.5388 ( 4300 PWs) bands (ev): -13.3152 -13.3152 -13.3151 -13.3151 -9.8329 -9.8329 -9.8311 -9.8311 -9.6520 -9.6520 -9.6504 -9.6504 -2.7277 -2.7277 -2.7277 -2.7277 -1.0979 -1.0979 -1.0956 -1.0956 0.1984 0.1984 0.2008 0.2008 0.7119 0.7119 0.7212 0.7212 1.6140 1.6140 1.6232 1.6232 2.3105 2.3105 2.3167 2.3167 3.4393 3.4393 3.4427 3.4427 4.1629 4.1629 4.1633 4.1633 4.6934 4.6934 4.6952 4.6952 12.3022 12.3022 12.3036 12.3036 12.5043 12.5043 12.5153 12.5153 13.3546 13.3546 k = 0.2332 0.3773 0.5388 ( 4304 PWs) bands (ev): -13.3194 -13.3194 -13.3193 -13.3193 -9.7903 -9.7903 -9.7885 -9.7885 -9.6818 -9.6818 -9.6802 -9.6802 -2.7884 -2.7884 -2.7883 -2.7883 -1.0268 -1.0268 -1.0242 -1.0242 0.1632 0.1632 0.1653 0.1653 0.7060 0.7060 0.7156 0.7156 1.6230 1.6230 1.6319 1.6319 2.3215 2.3215 2.3279 2.3279 3.4404 3.4404 3.4441 3.4441 4.1486 4.1486 4.1490 4.1490 4.7298 4.7298 4.7315 4.7315 12.2773 12.2773 12.2785 12.2785 12.4615 12.4615 12.4721 12.4721 13.3985 13.3985 k = 0.2246 0.3633 0.5388 ( 4296 PWs) bands (ev): -13.3236 -13.3236 -13.3235 -13.3235 -9.7473 -9.7473 -9.7454 -9.7454 -9.7108 -9.7108 -9.7094 -9.7094 -2.8499 -2.8499 -2.8498 -2.8498 -0.9577 -0.9577 -0.9547 -0.9547 0.1275 0.1275 0.1294 0.1294 0.7006 0.7006 0.7105 0.7105 1.6332 1.6332 1.6417 1.6417 2.3344 2.3344 2.3410 2.3410 3.4414 3.4414 3.4455 3.4455 4.1356 4.1356 4.1359 4.1359 4.7660 4.7660 4.7675 4.7675 12.2522 12.2522 12.2532 12.2532 12.4156 12.4156 12.4259 12.4259 13.4390 13.4390 k = 0.2160 0.3494 0.5388 ( 4296 PWs) bands (ev): -13.3278 -13.3278 -13.3277 -13.3277 -9.7393 -9.7393 -9.7378 -9.7378 -9.7036 -9.7036 -9.7018 -9.7018 -2.9122 -2.9122 -2.9120 -2.9120 -0.8906 -0.8906 -0.8873 -0.8873 0.0916 0.0916 0.0932 0.0932 0.6956 0.6956 0.7058 0.7058 1.6444 1.6444 1.6525 1.6525 2.3490 2.3490 2.3558 2.3558 3.4425 3.4425 3.4469 3.4469 4.1239 4.1239 4.1241 4.1241 4.8018 4.8018 4.8031 4.8031 12.2274 12.2274 12.2283 12.2283 12.3673 12.3673 12.3772 12.3772 13.4740 13.4740 k = 0.2073 0.3354 0.5388 ( 4300 PWs) bands (ev): -13.3321 -13.3321 -13.3319 -13.3319 -9.7667 -9.7667 -9.7653 -9.7653 -9.6597 -9.6597 -9.6579 -9.6579 -2.9749 -2.9749 -2.9747 -2.9747 -0.8260 -0.8260 -0.8224 -0.8224 0.0557 0.0557 0.0571 0.0571 0.6912 0.6912 0.7016 0.7016 1.6565 1.6565 1.6642 1.6642 2.3652 2.3652 2.3721 2.3721 3.4438 3.4438 3.4486 3.4486 4.1134 4.1134 4.1136 4.1136 4.8371 4.8371 4.8382 4.8382 12.2036 12.2036 12.2043 12.2043 12.3170 12.3170 12.3266 12.3266 13.5014 13.5014 k = 0.1987 0.3214 0.5388 ( 4312 PWs) bands (ev): -13.3363 -13.3363 -13.3362 -13.3362 -9.7933 -9.7933 -9.7919 -9.7919 -9.6156 -9.6156 -9.6138 -9.6138 -3.0380 -3.0380 -3.0377 -3.0377 -0.7639 -0.7639 -0.7600 -0.7600 0.0200 0.0200 0.0212 0.0212 0.6874 0.6874 0.6980 0.6980 1.6693 1.6693 1.6766 1.6766 2.3827 2.3827 2.3898 2.3898 3.4456 3.4456 3.4506 3.4506 4.1040 4.1040 4.1041 4.1041 4.8718 4.8718 4.8727 4.8727 12.1811 12.1811 12.1818 12.1818 12.2653 12.2653 12.2744 12.2744 13.5194 13.5194 k = 0.1900 0.3074 0.5388 ( 4320 PWs) bands (ev): -13.3405 -13.3405 -13.3403 -13.3403 -9.8190 -9.8190 -9.8176 -9.8176 -9.5714 -9.5714 -9.5696 -9.5696 -3.1011 -3.1011 -3.1008 -3.1008 -0.7047 -0.7047 -0.7005 -0.7005 -0.0153 -0.0153 -0.0142 -0.0142 0.6842 0.6842 0.6950 0.6950 1.6827 1.6827 1.6896 1.6896 2.4014 2.4014 2.4087 2.4087 3.4478 3.4478 3.4532 3.4532 4.0957 4.0957 4.0957 4.0957 4.9056 4.9056 4.9064 4.9064 12.1602 12.1602 12.1609 12.1609 12.2127 12.2127 12.2213 12.2213 13.5267 13.5267 k = 0.1814 0.2935 0.5388 ( 4320 PWs) bands (ev): -13.3446 -13.3446 -13.3445 -13.3445 -9.8437 -9.8437 -9.8424 -9.8424 -9.5272 -9.5272 -9.5254 -9.5254 -3.1642 -3.1642 -3.1638 -3.1638 -0.6484 -0.6484 -0.6440 -0.6440 -0.0500 -0.0500 -0.0491 -0.0491 0.6818 0.6818 0.6927 0.6927 1.6966 1.6966 1.7031 1.7031 2.4210 2.4210 2.4284 2.4284 3.4507 3.4507 3.4564 3.4564 4.0883 4.0883 4.0884 4.0884 4.9387 4.9387 4.9393 4.9393 12.1409 12.1409 12.1420 12.1420 12.1600 12.1600 12.1677 12.1677 13.5228 13.5228 k = 0.1728 0.2795 0.5388 ( 4324 PWs) bands (ev): -13.3487 -13.3487 -13.3486 -13.3486 -9.8674 -9.8674 -9.8662 -9.8662 -9.4832 -9.4832 -9.4814 -9.4814 -3.2269 -3.2269 -3.2264 -3.2264 -0.5953 -0.5953 -0.5906 -0.5906 -0.0839 -0.0839 -0.0831 -0.0831 0.6801 0.6801 0.6911 0.6911 1.7108 1.7108 1.7170 1.7170 2.4412 2.4412 2.4487 2.4487 3.4545 3.4545 3.4605 3.4605 4.0820 4.0820 4.0820 4.0820 4.9707 4.9707 4.9711 4.9711 12.1049 12.1049 12.1135 12.1135 12.1257 12.1257 12.1260 12.1260 13.5080 13.5080 k = 0.1641 0.2655 0.5388 ( 4332 PWs) bands (ev): -13.3527 -13.3527 -13.3526 -13.3526 -9.8901 -9.8901 -9.8889 -9.8889 -9.4396 -9.4396 -9.4378 -9.4378 -3.2890 -3.2890 -3.2885 -3.2885 -0.5454 -0.5454 -0.5404 -0.5404 -0.1170 -0.1170 -0.1163 -0.1163 0.6793 0.6793 0.6903 0.6903 1.7253 1.7253 1.7311 1.7311 2.4617 2.4617 2.4692 2.4692 3.4593 3.4593 3.4655 3.4655 4.0764 4.0764 4.0764 4.0764 5.0016 5.0016 5.0019 5.0019 12.0523 12.0523 12.0602 12.0602 12.1110 12.1110 12.1111 12.1111 13.4836 13.4836 k = 0.1555 0.2515 0.5388 ( 4332 PWs) bands (ev): -13.3566 -13.3566 -13.3565 -13.3565 -9.9118 -9.9118 -9.9106 -9.9106 -9.3964 -9.3964 -9.3947 -9.3947 -3.3503 -3.3503 -3.3498 -3.3498 -0.4987 -0.4987 -0.4936 -0.4936 -0.1489 -0.1489 -0.1484 -0.1484 0.6793 0.6793 0.6903 0.6903 1.7399 1.7399 1.7453 1.7453 2.4821 2.4821 2.4897 2.4897 3.4653 3.4653 3.4717 3.4717 4.0716 4.0716 4.0717 4.0717 5.0314 5.0314 5.0315 5.0315 12.0000 12.0000 12.0075 12.0075 12.0988 12.0988 12.0989 12.0989 13.4516 13.4516 k = 0.1468 0.2376 0.5388 ( 4332 PWs) bands (ev): -13.3604 -13.3604 -13.3603 -13.3603 -9.9324 -9.9324 -9.9313 -9.9313 -9.3540 -9.3540 -9.3522 -9.3522 -3.4105 -3.4105 -3.4100 -3.4100 -0.4555 -0.4555 -0.4502 -0.4502 -0.1797 -0.1797 -0.1793 -0.1793 0.6802 0.6802 0.6911 0.6911 1.7544 1.7544 1.7595 1.7595 2.5022 2.5022 2.5098 2.5098 3.4725 3.4725 3.4790 3.4790 4.0676 4.0676 4.0677 4.0677 5.0598 5.0598 5.0598 5.0598 11.9487 11.9487 11.9557 11.9557 12.0890 12.0890 12.0891 12.0891 13.4138 13.4138 k = 0.1382 0.2236 0.5388 ( 4332 PWs) bands (ev): -13.3641 -13.3641 -13.3640 -13.3640 -9.9519 -9.9519 -9.9508 -9.9508 -9.3123 -9.3123 -9.3107 -9.3107 -3.4694 -3.4694 -3.4688 -3.4688 -0.4155 -0.4155 -0.4102 -0.4102 -0.2092 -0.2092 -0.2089 -0.2089 0.6819 0.6819 0.6926 0.6926 1.7688 1.7688 1.7736 1.7736 2.5217 2.5217 2.5292 2.5292 3.4810 3.4810 3.4876 3.4876 4.0642 4.0642 4.0643 4.0643 5.0868 5.0868 5.0869 5.0869 11.8986 11.8986 11.9052 11.9052 12.0815 12.0815 12.0817 12.0817 13.3723 13.3723 k = 0.1296 0.2096 0.5388 ( 4332 PWs) bands (ev): -13.3676 -13.3676 -13.3675 -13.3675 -9.9702 -9.9702 -9.9692 -9.9692 -9.2718 -9.2718 -9.2701 -9.2701 -3.5267 -3.5267 -3.5261 -3.5261 -0.3790 -0.3790 -0.3736 -0.3736 -0.2373 -0.2373 -0.2371 -0.2371 0.6844 0.6844 0.6950 0.6950 1.7830 1.7830 1.7874 1.7874 2.5402 2.5402 2.5476 2.5476 3.4908 3.4908 3.4975 3.4975 4.0613 4.0613 4.0615 4.0615 5.1123 5.1123 5.1125 5.1125 11.8502 11.8502 11.8564 11.8564 12.0762 12.0762 12.0764 12.0764 13.3289 13.3289 k = 0.1209 0.1956 0.5388 ( 4328 PWs) bands (ev): -13.3710 -13.3710 -13.3709 -13.3709 -9.9875 -9.9875 -9.9865 -9.9865 -9.2324 -9.2324 -9.2309 -9.2309 -3.5821 -3.5821 -3.5814 -3.5814 -0.3458 -0.3458 -0.3403 -0.3403 -0.2639 -0.2639 -0.2638 -0.2638 0.6878 0.6878 0.6980 0.6980 1.7968 1.7968 1.8009 1.8009 2.5575 2.5575 2.5647 2.5647 3.5020 3.5020 3.5086 3.5086 4.0591 4.0591 4.0592 4.0592 5.1363 5.1363 5.1367 5.1367 11.8037 11.8037 11.8095 11.8095 12.0729 12.0729 12.0731 12.0731 13.2852 13.2852 k = 0.1123 0.1817 0.5388 ( 4316 PWs) bands (ev): -13.3743 -13.3743 -13.3742 -13.3742 -10.0035 -10.0035 -10.0027 -10.0027 -9.1946 -9.1946 -9.1931 -9.1931 -3.6352 -3.6352 -3.6346 -3.6346 -0.3160 -0.3160 -0.3104 -0.3104 -0.2888 -0.2888 -0.2886 -0.2886 0.6918 0.6918 0.7017 0.7017 1.8101 1.8101 1.8139 1.8139 2.5735 2.5735 2.5805 2.5805 3.5144 3.5144 3.5209 3.5209 4.0572 4.0572 4.0574 4.0574 5.1588 5.1588 5.1592 5.1592 11.7594 11.7594 11.7647 11.7647 12.0714 12.0714 12.0716 12.0716 13.2422 13.2422 k = 0.1037 0.1677 0.5388 ( 4316 PWs) bands (ev): -13.3773 -13.3773 -13.3772 -13.3772 -10.0185 -10.0185 -10.0177 -10.0177 -9.1583 -9.1583 -9.1569 -9.1569 -3.6860 -3.6860 -3.6853 -3.6853 -0.3131 -0.3131 -0.3125 -0.3125 -0.2880 -0.2880 -0.2834 -0.2834 0.6964 0.6964 0.7058 0.7058 1.8229 1.8229 1.8264 1.8264 2.5880 2.5880 2.5946 2.5946 3.5278 3.5278 3.5341 3.5341 4.0558 4.0558 4.0560 4.0560 5.1797 5.1797 5.1802 5.1802 11.7174 11.7174 11.7223 11.7223 12.0714 12.0714 12.0716 12.0716 13.2012 13.2012 k = 0.0950 0.1537 0.5388 ( 4324 PWs) bands (ev): -13.3802 -13.3802 -13.3801 -13.3801 -10.0322 -10.0322 -10.0315 -10.0315 -9.1239 -9.1239 -9.1226 -9.1226 -3.7340 -3.7340 -3.7334 -3.7334 -0.3345 -0.3345 -0.3343 -0.3343 -0.2643 -0.2643 -0.2596 -0.2596 0.7015 0.7015 0.7104 0.7104 1.8350 1.8350 1.8382 1.8382 2.6009 2.6009 2.6072 2.6072 3.5420 3.5420 3.5481 3.5481 4.0547 4.0547 4.0549 4.0549 5.1989 5.1989 5.1994 5.1994 11.6780 11.6780 11.6825 11.6825 12.0726 12.0726 12.0729 12.0729 13.1629 13.1629 k = 0.0864 0.1397 0.5388 ( 4324 PWs) bands (ev): -13.3828 -13.3828 -13.3828 -13.3828 -10.0448 -10.0448 -10.0442 -10.0442 -9.0916 -9.0916 -9.0904 -9.0904 -3.7789 -3.7789 -3.7783 -3.7783 -0.3545 -0.3545 -0.3543 -0.3543 -0.2432 -0.2432 -0.2387 -0.2387 0.7069 0.7069 0.7152 0.7152 1.8464 1.8464 1.8493 1.8493 2.6122 2.6122 2.6181 2.6181 3.5568 3.5568 3.5625 3.5625 4.0539 4.0539 4.0541 4.0541 5.2165 5.2165 5.2170 5.2170 11.6414 11.6414 11.6455 11.6455 12.0748 12.0748 12.0751 12.0751 13.1279 13.1279 k = 0.0777 0.1258 0.5388 ( 4320 PWs) bands (ev): -13.3853 -13.3853 -13.3852 -13.3852 -10.0562 -10.0562 -10.0556 -10.0556 -9.0616 -9.0616 -9.0605 -9.0605 -3.8206 -3.8206 -3.8200 -3.8200 -0.3727 -0.3727 -0.3726 -0.3726 -0.2246 -0.2246 -0.2204 -0.2204 0.7125 0.7125 0.7202 0.7202 1.8570 1.8570 1.8596 1.8596 2.6220 2.6220 2.6275 2.6275 3.5717 3.5717 3.5771 3.5771 4.0533 4.0533 4.0535 4.0535 5.2324 5.2324 5.2329 5.2329 11.6078 11.6078 11.6115 11.6115 12.0777 12.0777 12.0779 12.0779 13.0967 13.0967 k = 0.0691 0.1118 0.5388 ( 4316 PWs) bands (ev): -13.3875 -13.3875 -13.3874 -13.3874 -10.0665 -10.0665 -10.0659 -10.0659 -9.0341 -9.0341 -9.0330 -9.0330 -3.8587 -3.8587 -3.8582 -3.8582 -0.3891 -0.3891 -0.3890 -0.3890 -0.2086 -0.2086 -0.2047 -0.2047 0.7181 0.7181 0.7251 0.7251 1.8667 1.8667 1.8690 1.8690 2.6304 2.6304 2.6353 2.6353 3.5865 3.5865 3.5914 3.5914 4.0529 4.0529 4.0531 4.0531 5.2466 5.2466 5.2471 5.2471 11.5773 11.5773 11.5806 11.5806 12.0808 12.0808 12.0810 12.0810 13.0697 13.0697 k = 0.0605 0.0978 0.5388 ( 4324 PWs) bands (ev): -13.3895 -13.3895 -13.3894 -13.3894 -10.0755 -10.0755 -10.0750 -10.0750 -9.0092 -9.0092 -9.0083 -9.0083 -3.8930 -3.8930 -3.8925 -3.8925 -0.4036 -0.4036 -0.4035 -0.4035 -0.1948 -0.1948 -0.1913 -0.1913 0.7236 0.7236 0.7298 0.7298 1.8754 1.8754 1.8774 1.8774 2.6373 2.6373 2.6417 2.6417 3.6007 3.6007 3.6052 3.6052 4.0527 4.0527 4.0528 4.0528 5.2591 5.2591 5.2596 5.2596 11.5501 11.5501 11.5530 11.5530 12.0840 12.0840 12.0842 12.0842 13.0468 13.0468 k = 0.0518 0.0838 0.5388 ( 4318 PWs) bands (ev): -13.3912 -13.3912 -13.3911 -13.3911 -10.0833 -10.0833 -10.0829 -10.0829 -8.9873 -8.9873 -8.9865 -8.9865 -3.9232 -3.9232 -3.9228 -3.9228 -0.4163 -0.4163 -0.4162 -0.4162 -0.1832 -0.1832 -0.1802 -0.1802 0.7288 0.7288 0.7341 0.7341 1.8831 1.8831 1.8848 1.8848 2.6431 2.6431 2.6469 2.6469 3.6141 3.6141 3.6179 3.6179 4.0525 4.0525 4.0527 4.0527 5.2699 5.2699 5.2704 5.2704 11.5263 11.5263 11.5287 11.5287 12.0869 12.0869 12.0871 12.0871 13.0280 13.0280 k = 0.0432 0.0699 0.5388 ( 4310 PWs) bands (ev): -13.3927 -13.3927 -13.3926 -13.3926 -10.0899 -10.0899 -10.0896 -10.0896 -8.9683 -8.9683 -8.9677 -8.9677 -3.9492 -3.9492 -3.9488 -3.9488 -0.4270 -0.4270 -0.4270 -0.4270 -0.1736 -0.1736 -0.1710 -0.1710 0.7335 0.7335 0.7380 0.7380 1.8898 1.8898 1.8912 1.8912 2.6477 2.6477 2.6509 2.6509 3.6261 3.6261 3.6294 3.6294 4.0525 4.0525 4.0526 4.0526 5.2790 5.2790 5.2795 5.2795 11.5060 11.5060 11.5080 11.5080 12.0895 12.0895 12.0897 12.0897 13.0132 13.0132 k = 0.0346 0.0559 0.5388 ( 4308 PWs) bands (ev): -13.3939 -13.3939 -13.3938 -13.3938 -10.0953 -10.0953 -10.0950 -10.0950 -8.9526 -8.9526 -8.9521 -8.9521 -3.9707 -3.9707 -3.9704 -3.9704 -0.4358 -0.4358 -0.4358 -0.4358 -0.1659 -0.1659 -0.1638 -0.1638 0.7376 0.7376 0.7413 0.7413 1.8953 1.8953 1.8964 1.8964 2.6513 2.6513 2.6539 2.6539 3.6365 3.6365 3.6391 3.6391 4.0525 4.0525 4.0526 4.0526 5.2865 5.2865 5.2869 5.2869 11.4893 11.4893 11.4909 11.4909 12.0917 12.0917 12.0918 12.0918 13.0019 13.0020 k = 0.0259 0.0419 0.5388 ( 4304 PWs) bands (ev): -13.3948 -13.3948 -13.3948 -13.3948 -10.0995 -10.0995 -10.0993 -10.0993 -8.9402 -8.9402 -8.9398 -8.9398 -3.9876 -3.9876 -3.9874 -3.9874 -0.4427 -0.4427 -0.4427 -0.4427 -0.1600 -0.1600 -0.1584 -0.1584 0.7411 0.7411 0.7438 0.7438 1.8996 1.8996 1.9005 1.9005 2.6541 2.6541 2.6560 2.6560 3.6449 3.6449 3.6469 3.6469 4.0525 4.0525 4.0526 4.0526 5.2923 5.2923 5.2926 5.2926 11.4762 11.4762 11.4775 11.4775 12.0934 12.0934 12.0934 12.0934 12.9937 12.9938 k = 0.0173 0.0279 0.5388 ( 4300 PWs) bands (ev): -13.3955 -13.3955 -13.3955 -13.3955 -10.1025 -10.1025 -10.1024 -10.1024 -8.9313 -8.9313 -8.9310 -8.9310 -3.9998 -3.9998 -3.9996 -3.9996 -0.4476 -0.4476 -0.4476 -0.4476 -0.1557 -0.1557 -0.1546 -0.1546 0.7437 0.7437 0.7456 0.7456 1.9028 1.9028 1.9034 1.9034 2.6561 2.6561 2.6574 2.6574 3.6513 3.6513 3.6526 3.6526 4.0526 4.0526 4.0526 4.0526 5.2965 5.2965 5.2967 5.2967 11.4670 11.4670 11.4678 11.4678 12.0945 12.0945 12.0946 12.0946 12.9883 12.9883 k = 0.0086 0.0140 0.5388 ( 4304 PWs) bands (ev): -13.3959 -13.3959 -13.3959 -13.3959 -10.1043 -10.1043 -10.1042 -10.1042 -8.9259 -8.9259 -8.9257 -8.9257 -4.0071 -4.0071 -4.0070 -4.0070 -0.4506 -0.4506 -0.4506 -0.4506 -0.1531 -0.1531 -0.1525 -0.1525 0.7455 0.7455 0.7465 0.7465 1.9048 1.9048 1.9051 1.9051 2.6574 2.6574 2.6580 2.6580 3.6553 3.6553 3.6559 3.6559 4.0526 4.0526 4.0526 4.0526 5.2990 5.2990 5.2991 5.2991 11.4615 11.4615 11.4619 11.4619 12.0952 12.0952 12.0952 12.0952 12.9852 12.9853 k = 0.0000 0.0000 0.5388 ( 4316 PWs) bands (ev): -13.3961 -13.3961 -13.3961 -13.3961 -10.1049 -10.1049 -10.1049 -10.1049 -8.9240 -8.9240 -8.9240 -8.9240 -4.0095 -4.0095 -4.0095 -4.0095 -0.4516 -0.4516 -0.4516 -0.4516 -0.1520 -0.1520 -0.1520 -0.1520 0.7465 0.7465 0.7465 0.7465 1.9055 1.9055 1.9055 1.9055 2.6580 2.6580 2.6580 2.6580 3.6568 3.6568 3.6568 3.6568 4.0526 4.0526 4.0526 4.0526 5.2999 5.2999 5.2999 5.2999 11.4598 11.4598 11.4598 11.4598 12.0954 12.0954 12.0954 12.0954 12.9842 12.9842 k = 0.0000 0.0000 0.5388 ( 4316 PWs) bands (ev): -13.3961 -13.3961 -13.3961 -13.3961 -10.1049 -10.1049 -10.1049 -10.1049 -8.9240 -8.9240 -8.9240 -8.9240 -4.0095 -4.0095 -4.0095 -4.0095 -0.4516 -0.4516 -0.4516 -0.4516 -0.1520 -0.1520 -0.1520 -0.1520 0.7465 0.7465 0.7465 0.7465 1.9055 1.9055 1.9055 1.9055 2.6580 2.6580 2.6580 2.6580 3.6568 3.6568 3.6568 3.6568 4.0526 4.0526 4.0526 4.0526 5.2999 5.2999 5.2999 5.2999 11.4598 11.4598 11.4598 11.4598 12.0954 12.0954 12.0954 12.0954 12.9842 12.9842 k = 0.0000 0.0000 0.5225 ( 4302 PWs) bands (ev): -13.4101 -13.4101 -13.3821 -13.3821 -10.1459 -10.1459 -10.0628 -10.0628 -8.9278 -8.9278 -8.9207 -8.9207 -4.0108 -4.0108 -4.0055 -4.0055 -0.4741 -0.4741 -0.4287 -0.4287 -0.2471 -0.2471 -0.0679 -0.0679 0.7433 0.7433 0.7605 0.7605 1.8820 1.8820 1.9243 1.9243 2.6574 2.6574 2.6604 2.6604 3.6475 3.6475 3.6659 3.6659 4.0275 4.0275 4.0768 4.0768 5.2800 5.2800 5.3184 5.3184 11.4634 11.4634 11.4659 11.4659 12.0858 12.0858 12.1044 12.1044 12.9409 12.9409 k = 0.0000 0.0000 0.5062 ( 4314 PWs) bands (ev): -13.4243 -13.4243 -13.3684 -13.3684 -10.1857 -10.1857 -10.0196 -10.0196 -8.9322 -8.9322 -8.9180 -8.9180 -4.0095 -4.0095 -3.9987 -3.9987 -0.4962 -0.4962 -0.4056 -0.4056 -0.3503 -0.3503 0.0026 0.0026 0.7487 0.7487 0.7879 0.7879 1.8539 1.8539 1.9381 1.9381 2.6583 2.6583 2.6646 2.6646 3.6380 3.6380 3.6748 3.6748 4.0015 4.0015 4.0999 4.0999 5.2589 5.2589 5.3356 5.3356 11.4770 11.4770 11.4819 11.4819 12.0761 12.0761 12.1115 12.1115 12.8967 12.8967 k = 0.0000 0.0000 0.4899 ( 4306 PWs) bands (ev): -13.4385 -13.4385 -13.3549 -13.3549 -10.2244 -10.2244 -9.9754 -9.9754 -8.9370 -8.9370 -8.9159 -8.9159 -4.0055 -4.0055 -3.9893 -3.9893 -0.5178 -0.5178 -0.4597 -0.4597 -0.3820 -0.3820 0.0575 0.0575 0.7606 0.7606 0.8301 0.8301 1.8213 1.8213 1.9468 1.9468 2.6605 2.6605 2.6710 2.6710 3.6283 3.6283 3.6834 3.6834 3.9748 3.9748 4.1219 4.1219 5.2367 5.2367 5.3515 5.3515 11.5003 11.5003 11.5076 11.5076 12.0670 12.0670 12.1156 12.1156 12.8538 12.8538 k = 0.0000 0.0000 0.4735 ( 4308 PWs) bands (ev): -13.4527 -13.4527 -13.3416 -13.3416 -10.2618 -10.2618 -9.9303 -9.9303 -8.9424 -8.9424 -8.9143 -8.9143 -3.9990 -3.9990 -3.9771 -3.9771 -0.5728 -0.5728 -0.5388 -0.5388 -0.3587 -0.3587 0.0966 0.0966 0.7773 0.7773 0.8870 0.8870 1.7844 1.7844 1.9505 1.9505 2.6639 2.6639 2.6798 2.6798 3.6184 3.6184 3.6917 3.6917 3.9477 3.9477 4.1427 4.1427 5.2134 5.2134 5.3660 5.3660 11.5332 11.5332 11.5429 11.5429 12.0586 12.0586 12.1148 12.1148 12.8148 12.8148 k = 0.0000 0.0000 0.4572 ( 4312 PWs) bands (ev): -13.4670 -13.4670 -13.3286 -13.3286 -10.2980 -10.2980 -9.8844 -9.8844 -8.9482 -8.9482 -8.9132 -8.9132 -3.9900 -3.9900 -3.9622 -3.9622 -0.6887 -0.6887 -0.5591 -0.5591 -0.3353 -0.3353 0.1214 0.1214 0.7979 0.7979 0.9567 0.9567 1.7435 1.7435 1.9490 1.9490 2.6681 2.6681 2.6912 2.6912 3.6084 3.6084 3.6997 3.6997 3.9203 3.9203 4.1624 4.1624 5.1892 5.1892 5.3792 5.3792 11.5755 11.5755 11.5873 11.5873 12.0513 12.0513 12.1072 12.1072 12.7823 12.7823 k = 0.0000 0.0000 0.4409 ( 4306 PWs) bands (ev): -13.4812 -13.4812 -13.3158 -13.3158 -10.3330 -10.3330 -9.8377 -9.8377 -8.9544 -8.9544 -8.9127 -8.9127 -3.9787 -3.9787 -3.9447 -3.9447 -0.8061 -0.8061 -0.5786 -0.5786 -0.3121 -0.3121 0.1346 0.1346 0.8214 0.8214 1.0359 1.0359 1.6987 1.6987 1.9422 1.9422 2.6731 2.6731 2.7056 2.7056 3.5983 3.5983 3.7074 3.7074 3.8931 3.8931 4.1810 4.1810 5.1640 5.1640 5.3910 5.3910 11.6270 11.6270 11.6407 11.6407 12.0450 12.0450 12.0909 12.0909 12.7589 12.7589 k = 0.0000 0.0000 0.4245 ( 4304 PWs) bands (ev): -13.4954 -13.4954 -13.3034 -13.3034 -10.3666 -10.3666 -9.7903 -9.7903 -8.9611 -8.9611 -8.9127 -8.9127 -3.9651 -3.9651 -3.9246 -3.9246 -0.9243 -0.9243 -0.5972 -0.5972 -0.2891 -0.2891 0.1391 0.1391 0.8473 0.8473 1.1213 1.1213 1.6503 1.6503 1.9303 1.9303 2.6787 2.6787 2.7232 2.7232 3.5881 3.5881 3.7149 3.7149 3.8662 3.8662 4.1986 4.1986 5.1381 5.1381 5.4015 5.4015 11.6872 11.6872 11.7026 11.7026 12.0400 12.0400 12.0646 12.0646 12.7462 12.7462 k = 0.0000 0.0000 0.4082 ( 4296 PWs) bands (ev): -13.5094 -13.5094 -13.2913 -13.2913 -10.3989 -10.3989 -9.7423 -9.7423 -8.9680 -8.9680 -8.9132 -8.9132 -3.9495 -3.9495 -3.9020 -3.9020 -1.0425 -1.0425 -0.6149 -0.6149 -0.2663 -0.2663 0.1373 0.1373 0.8750 0.8750 1.2099 1.2099 1.5986 1.5986 1.9133 1.9133 2.6847 2.6847 2.7443 2.7443 3.5778 3.5778 3.7221 3.7221 3.8399 3.8399 4.2154 4.2154 5.1116 5.1116 5.4107 5.4107 11.7559 11.7559 11.7727 11.7727 12.0281 12.0281 12.0361 12.0361 12.7448 12.7448 k = 0.0000 0.0000 0.3919 ( 4290 PWs) bands (ev): -13.5233 -13.5233 -13.2796 -13.2796 -10.4300 -10.4300 -9.6939 -9.6939 -8.9753 -8.9753 -8.9142 -8.9142 -3.9319 -3.9319 -3.8771 -3.8771 -1.1602 -1.1602 -0.6315 -0.6315 -0.2439 -0.2439 0.1310 0.1310 0.9042 0.9042 1.2992 1.2992 1.5439 1.5439 1.8912 1.8912 2.6909 2.6909 2.7694 2.7694 3.5676 3.5676 3.7289 3.7289 3.8145 3.8145 4.2313 4.2313 5.0846 5.0846 5.4187 5.4187 11.8326 11.8326 11.8504 11.8504 11.9824 11.9824 12.0331 12.0331 12.7542 12.7542 k = 0.0000 0.0000 0.3756 ( 4286 PWs) bands (ev): -13.5370 -13.5370 -13.2682 -13.2682 -10.4597 -10.4597 -9.6451 -9.6451 -8.9828 -8.9828 -8.9155 -8.9155 -3.9125 -3.9125 -3.8499 -3.8499 -1.2769 -1.2769 -0.6470 -0.6470 -0.2220 -0.2220 0.1218 0.1218 0.9346 0.9346 1.3874 1.3874 1.4865 1.4865 1.8643 1.8643 2.6972 2.6972 2.7985 2.7985 3.5574 3.5574 3.7354 3.7354 3.7903 3.7903 4.2465 4.2465 5.0572 5.0572 5.4255 5.4255 11.9166 11.9166 11.9291 11.9291 11.9353 11.9353 12.0312 12.0312 12.7731 12.7731 k = 0.0000 0.0000 0.3592 ( 4292 PWs) bands (ev): -13.5504 -13.5504 -13.2573 -13.2573 -10.4881 -10.4881 -9.5962 -9.5962 -8.9904 -8.9904 -8.9173 -8.9173 -3.8915 -3.8915 -3.8205 -3.8205 -1.3922 -1.3922 -0.6613 -0.6613 -0.2007 -0.2007 0.1105 0.1105 0.9660 0.9660 1.4266 1.4266 1.4729 1.4729 1.8327 1.8327 2.7033 2.7033 2.8320 2.8320 3.5473 3.5473 3.7411 3.7411 3.7679 3.7679 4.2610 4.2610 5.0296 5.0296 5.4313 5.4313 11.8694 11.8694 12.0083 12.0083 12.0256 12.0256 12.0309 12.0309 12.8000 12.8000 k = 0.0000 0.0000 0.3429 ( 4300 PWs) bands (ev): -13.5636 -13.5636 -13.2467 -13.2467 -10.5151 -10.5151 -9.5471 -9.5471 -8.9983 -8.9983 -8.9195 -8.9195 -3.8690 -3.8690 -3.7892 -3.7892 -1.5056 -1.5056 -0.6743 -0.6743 -0.1801 -0.1801 0.0978 0.0978 0.9982 0.9982 1.3649 1.3649 1.5544 1.5544 1.7968 1.7968 2.7091 2.7091 2.8701 2.8701 3.5373 3.5373 3.7401 3.7401 3.7535 3.7535 4.2751 4.2751 5.0020 5.0020 5.4361 5.4361 11.8056 11.8056 12.0296 12.0296 12.1063 12.1063 12.1232 12.1232 12.8333 12.8333 k = 0.0000 0.0000 0.3266 ( 4296 PWs) bands (ev): -13.5765 -13.5765 -13.2366 -13.2366 -10.5409 -10.5409 -9.4982 -9.4982 -9.0062 -9.0062 -8.9219 -8.9219 -3.8453 -3.8453 -3.7561 -3.7561 -1.6169 -1.6169 -0.6860 -0.6860 -0.1601 -0.1601 0.0844 0.0844 1.0310 1.0310 1.3015 1.3015 1.6310 1.6310 1.7569 1.7569 2.7144 2.7144 2.9128 2.9128 3.5274 3.5274 3.7230 3.7230 3.7564 3.7564 4.2887 4.2887 4.9745 4.9745 5.4400 5.4400 11.7388 11.7388 12.0298 12.0298 12.2103 12.2103 12.2247 12.2247 12.8717 12.8717 k = 0.0000 0.0000 0.3102 ( 4304 PWs) bands (ev): -13.5890 -13.5890 -13.2269 -13.2269 -10.5653 -10.5653 -9.4495 -9.4495 -9.0141 -9.0141 -8.9246 -8.9246 -3.8206 -3.8206 -3.7214 -3.7214 -1.7256 -1.7256 -0.6963 -0.6963 -0.1410 -0.1410 0.0706 0.0706 1.0642 1.0642 1.2368 1.2368 1.7021 1.7021 1.7136 1.7136 2.7191 2.7191 2.9599 2.9599 3.5177 3.5177 3.7048 3.7048 3.7619 3.7619 4.3019 4.3019 4.9472 4.9472 5.4432 5.4432 11.6700 11.6700 12.0303 12.0303 12.3196 12.3196 12.3297 12.3297 12.9142 12.9142 k = 0.0000 0.0000 0.2939 ( 4298 PWs) bands (ev): -13.6011 -13.6011 -13.2176 -13.2176 -10.5884 -10.5884 -9.4013 -9.4013 -9.0220 -9.0220 -8.9275 -8.9275 -3.7950 -3.7950 -3.6853 -3.6853 -1.8314 -1.8314 -0.7051 -0.7051 -0.1229 -0.1229 0.0567 0.0567 1.0976 1.0976 1.1715 1.1715 1.6667 1.6667 1.7677 1.7677 2.7230 2.7230 3.0112 3.0112 3.5084 3.5084 3.6879 3.6879 3.7677 3.7677 4.3147 4.3147 4.9203 4.9203 5.4457 5.4457 11.6004 11.6004 12.0311 12.0311 12.4321 12.4321 12.4374 12.4374 12.9597 12.9597 k = 0.0000 0.0000 0.2776 ( 4306 PWs) bands (ev): -13.6128 -13.6128 -13.2088 -13.2088 -10.6102 -10.6102 -9.3537 -9.3537 -9.0298 -9.0298 -8.9306 -8.9306 -3.7689 -3.7689 -3.6481 -3.6481 -1.9341 -1.9341 -0.7125 -0.7125 -0.1058 -0.1058 0.0429 0.0429 1.1055 1.1055 1.1314 1.1314 1.6174 1.6174 1.8271 1.8271 2.7260 2.7260 3.0660 3.0660 3.4994 3.4994 3.6725 3.6725 3.7734 3.7734 4.3272 4.3272 4.8939 4.8939 5.4476 5.4476 11.5305 11.5305 12.0320 12.0320 12.5366 12.5366 12.5542 12.5542 13.0074 13.0074 k = 0.0000 0.0000 0.2613 ( 4314 PWs) bands (ev): -13.6240 -13.6240 -13.2005 -13.2005 -10.6307 -10.6307 -9.3070 -9.3070 -9.0375 -9.0375 -8.9339 -8.9339 -3.7425 -3.7425 -3.6101 -3.6101 -2.0332 -2.0332 -0.7185 -0.7185 -0.0897 -0.0897 0.0293 0.0293 1.0402 1.0402 1.1647 1.1647 1.5661 1.5661 1.8807 1.8807 2.7281 2.7281 3.1236 3.1236 3.4908 3.4908 3.6585 3.6585 3.7792 3.7792 4.3394 4.3394 4.8682 4.8682 5.4491 5.4491 11.4611 11.4611 12.0329 12.0329 12.6260 12.6260 12.6764 12.6764 13.0555 13.0555 k = 0.0000 0.0000 0.2449 ( 4318 PWs) bands (ev): -13.6348 -13.6348 -13.1926 -13.1926 -10.6499 -10.6499 -9.2613 -9.2613 -9.0450 -9.0450 -8.9372 -8.9372 -3.7160 -3.7160 -3.5714 -3.5714 -2.1284 -2.1284 -0.7229 -0.7229 -0.0750 -0.0750 0.0161 0.0161 0.9754 0.9754 1.1979 1.1979 1.5131 1.5131 1.9287 1.9287 2.7291 2.7291 3.1830 3.1830 3.4830 3.4830 3.6460 3.6460 3.7850 3.7850 4.3513 4.3513 4.8433 4.8433 5.4503 5.4503 11.3928 11.3928 12.0336 12.0336 12.6808 12.6808 12.8020 12.8020 13.0565 13.0565 k = 0.0000 0.0000 0.2286 ( 4314 PWs) bands (ev): -13.6450 -13.6450 -13.1853 -13.1853 -10.6678 -10.6678 -9.2169 -9.2169 -9.0523 -9.0523 -8.9405 -8.9405 -3.6896 -3.6896 -3.5325 -3.5325 -2.2196 -2.2196 -0.7259 -0.7259 -0.0615 -0.0615 0.0035 0.0035 0.9118 0.9118 1.2307 1.2307 1.4592 1.4592 1.9714 1.9714 2.7291 2.7291 3.2430 3.2430 3.4762 3.4762 3.6349 3.6349 3.7907 3.7907 4.3628 4.3628 4.8193 4.8193 5.4513 5.4513 11.3259 11.3259 12.0342 12.0342 12.6817 12.6817 12.9299 12.9299 13.0554 13.0554 k = 0.0000 0.0000 0.2123 ( 4306 PWs) bands (ev): -13.6547 -13.6547 -13.1784 -13.1784 -10.6844 -10.6844 -9.1741 -9.1741 -9.0593 -9.0593 -8.9438 -8.9438 -3.6636 -3.6636 -3.4937 -3.4937 -2.3062 -2.3062 -0.7275 -0.7275 -0.0495 -0.0495 -0.0085 -0.0085 0.8500 0.8500 1.2629 1.2629 1.4050 1.4050 2.0094 2.0094 2.7279 2.7279 3.3018 3.3018 3.4713 3.4713 3.6250 3.6250 3.7965 3.7965 4.3740 4.3740 4.7964 4.7964 5.4522 5.4522 11.2611 11.2611 12.0345 12.0345 12.6430 12.6430 13.0507 13.0507 13.0599 13.0599 k = 0.0000 0.0000 0.1959 ( 4298 PWs) bands (ev): -13.6637 -13.6637 -13.1720 -13.1720 -10.6997 -10.6997 -9.1331 -9.1331 -9.0659 -9.0659 -8.9471 -8.9471 -3.6383 -3.6383 -3.4553 -3.4553 -2.3881 -2.3881 -0.7277 -0.7277 -0.0390 -0.0390 -0.0198 -0.0198 0.7905 0.7905 1.2943 1.2943 1.3511 1.3511 2.0429 2.0429 2.7258 2.7258 3.3559 3.3559 3.4708 3.4708 3.6164 3.6164 3.8022 3.8022 4.3847 4.3847 4.7747 4.7747 5.4530 5.4530 11.1988 11.1988 12.0346 12.0346 12.5885 12.5885 13.0481 13.0481 13.1900 13.1900 k = 0.0000 0.0000 0.1796 ( 4298 PWs) bands (ev): -13.6722 -13.6722 -13.1661 -13.1661 -10.7138 -10.7138 -9.0941 -9.0941 -9.0722 -9.0722 -8.9502 -8.9502 -3.6139 -3.6139 -3.4178 -3.4178 -2.4648 -2.4648 -0.7267 -0.7267 -0.0320 -0.0320 -0.0286 -0.0286 0.7339 0.7339 1.2980 1.2980 1.3246 1.3246 2.0726 2.0726 2.7226 2.7226 3.3966 3.3966 3.4826 3.4826 3.6089 3.6089 3.8079 3.8079 4.3949 4.3949 4.7543 4.7543 5.4539 5.4539 11.1394 11.1394 12.0344 12.0344 12.5300 12.5300 13.0466 13.0466 13.3030 13.3030 k = 0.0000 0.0000 0.1633 ( 4306 PWs) bands (ev): -13.6800 -13.6800 -13.1607 -13.1607 -10.7267 -10.7267 -9.0783 -9.0783 -9.0572 -9.0572 -8.9533 -8.9533 -3.5906 -3.5906 -3.3814 -3.3814 -2.5362 -2.5362 -0.7246 -0.7246 -0.0406 -0.0406 -0.0227 -0.0227 0.6809 0.6809 1.2465 1.2465 1.3536 1.3536 2.0986 2.0986 2.7186 2.7186 3.4139 3.4139 3.5156 3.5156 3.6025 3.6025 3.8135 3.8135 4.4046 4.4046 4.7352 4.7352 5.4549 5.4549 11.0833 11.0833 12.0339 12.0339 12.4724 12.4724 13.0464 13.0464 13.3475 13.3475 k = 0.0000 0.0000 0.1470 ( 4314 PWs) bands (ev): -13.6871 -13.6871 -13.1559 -13.1559 -10.7382 -10.7382 -9.0836 -9.0836 -9.0231 -9.0231 -8.9561 -8.9561 -3.5688 -3.5688 -3.3467 -3.3467 -2.6019 -2.6019 -0.7215 -0.7215 -0.0496 -0.0496 -0.0173 -0.0173 0.6319 0.6319 1.1973 1.1973 1.3811 1.3811 2.1214 2.1214 2.7139 2.7139 3.4166 3.4166 3.5600 3.5600 3.5977 3.5977 3.8189 3.8189 4.4137 4.4137 4.7177 4.7177 5.4560 5.4560 11.0311 11.0311 12.0331 12.0331 12.4179 12.4179 13.0473 13.0473 13.3886 13.3886 k = 0.0000 0.0000 0.1306 ( 4314 PWs) bands (ev): -13.6936 -13.6936 -13.1515 -13.1515 -10.7486 -10.7486 -9.0886 -9.0886 -8.9917 -8.9917 -8.9587 -8.9587 -3.5485 -3.5485 -3.3141 -3.3141 -2.6615 -2.6615 -0.7177 -0.7177 -0.0577 -0.0577 -0.0137 -0.0137 0.5874 0.5874 1.1509 1.1509 1.4068 1.4068 2.1412 2.1412 2.7087 2.7087 3.4147 3.4147 3.5888 3.5888 3.6104 3.6104 3.8241 3.8241 4.4220 4.4220 4.7017 4.7017 5.4572 5.4572 10.9829 10.9829 12.0323 12.0323 12.3677 12.3677 13.0490 13.0490 13.4259 13.4259 k = 0.0000 0.0000 0.1143 ( 4314 PWs) bands (ev): -13.6993 -13.6993 -13.1476 -13.1476 -10.7577 -10.7577 -9.0930 -9.0930 -8.9640 -8.9640 -8.9604 -8.9604 -3.5301 -3.5301 -3.2840 -3.2840 -2.7149 -2.7149 -0.7134 -0.7134 -0.0649 -0.0649 -0.0118 -0.0118 0.5480 0.5480 1.1080 1.1080 1.4303 1.4303 2.1582 2.1582 2.7033 2.7033 3.4115 3.4115 3.5865 3.5865 3.6522 3.6522 3.8290 3.8290 4.4296 4.4296 4.6873 4.6873 5.4585 5.4585 10.9394 10.9394 12.0313 12.0313 12.3224 12.3224 13.0514 13.0514 13.4591 13.4591 k = 0.0000 0.0000 0.0980 ( 4304 PWs) bands (ev): -13.7043 -13.7043 -13.1443 -13.1443 -10.7655 -10.7655 -9.0970 -9.0970 -8.9635 -8.9635 -8.9380 -8.9380 -3.5137 -3.5137 -3.2568 -3.2568 -2.7618 -2.7618 -0.7089 -0.7089 -0.0713 -0.0713 -0.0113 -0.0113 0.5138 0.5138 1.0693 1.0693 1.4515 1.4515 2.1727 2.1727 2.6979 2.6979 3.4081 3.4081 3.5834 3.5834 3.6914 3.6914 3.8335 3.8335 4.4363 4.4363 4.6747 4.6747 5.4598 5.4598 10.9008 10.9008 12.0302 12.0302 12.2825 12.2825 13.0542 13.0542 13.4877 13.4877 k = 0.0000 0.0000 0.0816 ( 4312 PWs) bands (ev): -13.7086 -13.7086 -13.1415 -13.1415 -10.7722 -10.7722 -9.1003 -9.1003 -8.9653 -8.9653 -8.9164 -8.9164 -3.4995 -3.4995 -3.2330 -3.2330 -2.8019 -2.8019 -0.7044 -0.7044 -0.0767 -0.0767 -0.0122 -0.0122 0.4852 0.4852 1.0352 1.0352 1.4701 1.4701 2.1848 2.1848 2.6927 2.6927 3.4048 3.4048 3.5808 3.5808 3.7255 3.7255 3.8376 3.8376 4.4422 4.4422 4.6639 4.6639 5.4612 5.4612 10.8675 10.8675 12.0292 12.0292 12.2483 12.2483 13.0570 13.0570 13.5117 13.5117 k = 0.0000 0.0000 0.0653 ( 4312 PWs) bands (ev): -13.7121 -13.7121 -13.1391 -13.1391 -10.7776 -10.7776 -9.1031 -9.1031 -8.9668 -8.9668 -8.8984 -8.8984 -3.4877 -3.4877 -3.2129 -3.2129 -2.8350 -2.8350 -0.7002 -0.7002 -0.0811 -0.0811 -0.0138 -0.0138 0.4621 0.4621 1.0065 1.0065 1.4857 1.4857 2.1946 2.1946 2.6880 2.6880 3.4020 3.4020 3.5786 3.5786 3.7540 3.7540 3.8411 3.8411 4.4470 4.4470 4.6550 4.6550 5.4624 5.4624 10.8398 10.8398 12.0283 12.0283 12.2201 12.2201 13.0598 13.0598 13.5310 13.5310 k = 0.0000 0.0000 0.0490 ( 4308 PWs) bands (ev): -13.7148 -13.7148 -13.1373 -13.1373 -10.7819 -10.7819 -9.1053 -9.1053 -8.9681 -8.9681 -8.8842 -8.8842 -3.4784 -3.4784 -3.1968 -3.1968 -2.8609 -2.8609 -0.6966 -0.6966 -0.0846 -0.0846 -0.0158 -0.0158 0.4444 0.4444 0.9836 0.9836 1.4981 1.4981 2.2021 2.2021 2.6840 2.6840 3.3997 3.3997 3.5770 3.5770 3.7764 3.7764 3.8441 3.8441 4.4509 4.4509 4.6480 4.6480 5.4635 5.4635 10.8179 10.8179 12.0275 12.0275 12.1980 12.1980 13.0622 13.0622 13.5457 13.5457 k = 0.0000 0.0000 0.0327 ( 4311 PWs) bands (ev): -13.7168 -13.7168 -13.1360 -13.1360 -10.7849 -10.7849 -9.1068 -9.1068 -8.9689 -8.9689 -8.8740 -8.8740 -3.4716 -3.4716 -3.1852 -3.1852 -2.8796 -2.8796 -0.6939 -0.6939 -0.0870 -0.0870 -0.0176 -0.0176 0.4320 0.4320 0.9669 0.9669 1.5071 1.5071 2.2074 2.2074 2.6810 2.6810 3.3980 3.3980 3.5758 3.5758 3.7925 3.7925 3.8464 3.8464 4.4537 4.4537 4.6430 4.6430 5.4643 5.4643 10.8021 10.8021 12.0270 12.0270 12.1821 12.1821 13.0641 13.0641 13.5561 13.5561 k = 0.0000 0.0000 0.0163 ( 4311 PWs) bands (ev): -13.7180 -13.7180 -13.1353 -13.1353 -10.7867 -10.7867 -9.1078 -9.1078 -8.9695 -8.9695 -8.8678 -8.8678 -3.4676 -3.4676 -3.1781 -3.1781 -2.8908 -2.8908 -0.6921 -0.6921 -0.0885 -0.0885 -0.0189 -0.0189 0.4246 0.4246 0.9568 0.9568 1.5126 1.5126 2.2106 2.2106 2.6792 2.6792 3.3970 3.3970 3.5751 3.5751 3.8022 3.8022 3.8478 3.8478 4.4553 4.4553 4.6399 4.6399 5.4648 5.4648 10.7926 10.7926 12.0266 12.0266 12.1725 12.1725 13.0652 13.0652 13.5622 13.5622 k = 0.0000 0.0000 0.0000 ( 4311 PWs) bands (ev): -13.7184 -13.7184 -13.1350 -13.1350 -10.7873 -10.7873 -9.1081 -9.1081 -8.9696 -8.9696 -8.8658 -8.8658 -3.4662 -3.4662 -3.1757 -3.1757 -2.8946 -2.8946 -0.6915 -0.6915 -0.0890 -0.0890 -0.0194 -0.0194 0.4222 0.4222 0.9534 0.9534 1.5145 1.5145 2.2117 2.2117 2.6785 2.6785 3.3967 3.3967 3.5749 3.5749 3.8054 3.8054 3.8484 3.8484 4.4559 4.4559 4.6389 4.6389 5.4650 5.4650 10.7894 10.7894 12.0265 12.0265 12.1693 12.1693 13.0657 13.0657 13.5643 13.5643 k = 0.0000 0.0000 0.0000 ( 4311 PWs) bands (ev): -13.7184 -13.7184 -13.1350 -13.1350 -10.7873 -10.7873 -9.1081 -9.1081 -8.9696 -8.9696 -8.8658 -8.8658 -3.4662 -3.4662 -3.1757 -3.1757 -2.8946 -2.8946 -0.6915 -0.6915 -0.0890 -0.0890 -0.0194 -0.0194 0.4222 0.4222 0.9534 0.9534 1.5145 1.5145 2.2117 2.2117 2.6785 2.6785 3.3967 3.3967 3.5749 3.5749 3.8054 3.8054 3.8484 3.8484 4.4559 4.4559 4.6389 4.6389 5.4650 5.4650 10.7894 10.7894 12.0265 12.0265 12.1693 12.1693 13.0657 13.0657 13.5643 13.5643 k =-0.0139 0.0086 0.0000 ( 4309 PWs) bands (ev): -13.7178 -13.7178 -13.1350 -13.1350 -10.7888 -10.7888 -9.1079 -9.1078 -8.9701 -8.9697 -8.8657 -8.8652 -3.4640 -3.4637 -3.1799 -3.1798 -2.8895 -2.8892 -0.6925 -0.6922 -0.0875 -0.0874 -0.0209 -0.0208 0.4208 0.4209 0.9524 0.9525 1.5158 1.5158 2.2129 2.2130 2.6783 2.6784 3.3955 3.3958 3.5720 3.5722 3.8049 3.8049 3.8476 3.8476 4.4554 4.4557 4.6406 4.6408 5.4644 5.4644 10.7927 10.7928 12.0115 12.0124 12.1837 12.1838 13.0655 13.0657 13.5633 13.5636 k =-0.0278 0.0172 0.0000 ( 4303 PWs) bands (ev): -13.7162 -13.7162 -13.1351 -13.1351 -10.7933 -10.7932 -9.1073 -9.1071 -8.9710 -8.9703 -8.8649 -8.8639 -3.4570 -3.4566 -3.1916 -3.1914 -2.8748 -2.8743 -0.6950 -0.6944 -0.0827 -0.0826 -0.0253 -0.0252 0.4167 0.4170 0.9494 0.9496 1.5198 1.5199 2.2168 2.2169 2.6775 2.6778 3.3922 3.3928 3.5636 3.5641 3.8034 3.8034 3.8453 3.8454 4.4544 4.4549 4.6457 4.6460 5.4624 5.4625 10.8027 10.8027 11.9782 11.9798 12.2165 12.2169 13.0653 13.0655 13.5609 13.5614 k =-0.0417 0.0258 0.0000 ( 4303 PWs) bands (ev): -13.7136 -13.7136 -13.1353 -13.1352 -10.8007 -10.8006 -9.1062 -9.1059 -8.9723 -8.9713 -8.8636 -8.8621 -3.4454 -3.4448 -3.2088 -3.2084 -2.8526 -2.8517 -0.6991 -0.6982 -0.0748 -0.0747 -0.0327 -0.0325 0.4101 0.4106 0.9444 0.9448 1.5264 1.5265 2.2231 2.2234 2.6764 2.6767 3.3865 3.3875 3.5500 3.5507 3.8008 3.8009 3.8416 3.8416 4.4530 4.4537 4.6539 4.6543 5.4593 5.4593 10.8192 10.8193 11.9383 11.9404 12.2559 12.2567 13.0649 13.0652 13.5569 13.5578 k =-0.0556 0.0343 0.0000 ( 4309 PWs) bands (ev): -13.7099 -13.7099 -13.1355 -13.1353 -10.8110 -10.8109 -9.1047 -9.1044 -8.9739 -8.9726 -8.8617 -8.8598 -3.4292 -3.4283 -3.2295 -3.2290 -2.8247 -2.8236 -0.7046 -0.7034 -0.0639 -0.0637 -0.0428 -0.0426 0.4009 0.4015 0.9376 0.9380 1.5357 1.5358 2.2319 2.2323 2.6748 2.6753 3.3782 3.3796 3.5317 3.5326 3.7973 3.7974 3.8364 3.8364 4.4516 4.4525 4.6647 4.6652 5.4549 5.4550 10.8422 10.8423 11.8965 11.8991 12.2973 12.2985 13.0643 13.0648 13.5515 13.5526 k =-0.0694 0.0429 0.0000 ( 4317 PWs) bands (ev): -13.7052 -13.7051 -13.1357 -13.1355 -10.8240 -10.8239 -9.1029 -9.1025 -8.9757 -8.9742 -8.8593 -8.8571 -3.4084 -3.4073 -3.2522 -3.2515 -2.7928 -2.7915 -0.7115 -0.7100 -0.0558 -0.0554 -0.0500 -0.0498 0.3893 0.3900 0.9288 0.9293 1.5475 1.5477 2.2432 2.2436 2.6729 2.6734 3.3666 3.3683 3.5095 3.5107 3.7929 3.7930 3.8297 3.8298 4.4506 4.4516 4.6777 4.6782 5.4493 5.4494 10.8714 10.8715 11.8549 11.8580 12.3387 12.3403 13.0635 13.0640 13.5448 13.5461 k =-0.0833 0.0515 0.0000 ( 4319 PWs) bands (ev): -13.6994 -13.6994 -13.1360 -13.1358 -10.8397 -10.8396 -9.1007 -9.1002 -8.9777 -8.9760 -8.8567 -8.8541 -3.3831 -3.3818 -3.2757 -3.2749 -2.7580 -2.7564 -0.7196 -0.7178 -0.0714 -0.0709 -0.0333 -0.0331 0.3753 0.3761 0.9181 0.9187 1.5619 1.5621 2.2566 2.2572 2.6705 2.6711 3.3508 3.3529 3.4846 3.4860 3.7874 3.7876 3.8217 3.8218 4.4503 4.4513 4.6923 4.6927 5.4426 5.4427 10.9065 10.9067 11.8146 11.8181 12.3792 12.3812 13.0623 13.0629 13.5368 13.5382 k =-0.0972 0.0601 0.0000 ( 4313 PWs) bands (ev): -13.6927 -13.6926 -13.1363 -13.1361 -10.8580 -10.8578 -9.0983 -9.0977 -8.9797 -8.9779 -8.8538 -8.8509 -3.3534 -3.3519 -3.2994 -3.2984 -2.7210 -2.7192 -0.7288 -0.7267 -0.0895 -0.0888 -0.0138 -0.0136 0.3591 0.3600 0.9056 0.9063 1.5787 1.5788 2.2723 2.2729 2.6677 2.6685 3.3295 3.3319 3.4586 3.4601 3.7811 3.7813 3.8124 3.8125 4.4507 4.4517 4.7081 4.7085 5.4349 5.4350 10.9474 10.9476 11.7762 11.7801 12.4183 12.4206 13.0608 13.0614 13.5277 13.5293 k =-0.1111 0.0687 0.0000 ( 4311 PWs) bands (ev): -13.6850 -13.6849 -13.1367 -13.1365 -10.8785 -10.8783 -9.0956 -9.0950 -8.9817 -8.9797 -8.8508 -8.8476 -3.3227 -3.3219 -3.3192 -3.3177 -2.6824 -2.6803 -0.7390 -0.7367 -0.1099 -0.1091 0.0082 0.0085 0.3407 0.3417 0.8912 0.8920 1.5978 1.5980 2.2899 2.2906 2.6646 2.6655 3.3015 3.3039 3.4332 3.4347 3.7738 3.7741 3.8018 3.8019 4.4521 4.4531 4.7248 4.7251 5.4262 5.4263 10.9938 10.9939 11.7402 11.7445 12.4556 12.4582 13.0589 13.0596 13.5176 13.5192 k =-0.1250 0.0773 0.0000 ( 4307 PWs) bands (ev): -13.6763 -13.6763 -13.1371 -13.1368 -10.9013 -10.9011 -9.0927 -9.0920 -8.9836 -8.9815 -8.8478 -8.8443 -3.3454 -3.3443 -3.2812 -3.2793 -2.6425 -2.6402 -0.7501 -0.7475 -0.1325 -0.1315 0.0328 0.0331 0.3203 0.3213 0.8750 0.8758 1.6192 1.6194 2.3094 2.3101 2.6612 2.6622 3.2660 3.2685 3.4094 3.4107 3.7656 3.7659 3.7901 3.7902 4.4544 4.4553 4.7420 4.7422 5.4165 5.4167 11.0452 11.0454 11.7071 11.7118 12.4907 12.4936 13.0567 13.0574 13.5065 13.5083 k =-0.1389 0.0859 0.0000 ( 4306 PWs) bands (ev): -13.6668 -13.6667 -13.1376 -13.1373 -10.9260 -10.9258 -9.0897 -9.0890 -8.9852 -8.9830 -8.8448 -8.8412 -3.3673 -3.3660 -3.2390 -3.2369 -2.6015 -2.5990 -0.7620 -0.7591 -0.1572 -0.1560 0.0597 0.0600 0.2981 0.2991 0.8569 0.8578 1.6428 1.6429 2.3305 2.3313 2.6574 2.6585 3.2236 3.2259 3.3872 3.3881 3.7563 3.7567 3.7775 3.7776 4.4576 4.4585 4.7593 4.7594 5.4061 5.4063 11.1013 11.1016 11.6772 11.6822 12.5235 12.5265 13.0541 13.0548 13.4947 13.4965 k =-0.1528 0.0944 0.0000 ( 4298 PWs) bands (ev): -13.6563 -13.6563 -13.1380 -13.1377 -10.9526 -10.9524 -9.0866 -9.0858 -8.9867 -8.9844 -8.8420 -8.8382 -3.3881 -3.3868 -3.1930 -3.1907 -2.5598 -2.5570 -0.7745 -0.7714 -0.1836 -0.1822 0.0888 0.0891 0.2741 0.2751 0.8370 0.8380 1.6685 1.6685 2.3531 2.3540 2.6534 2.6547 3.1752 3.1773 3.3659 3.3664 3.7458 3.7463 3.7643 3.7644 4.4616 4.4624 4.7766 4.7767 5.3950 5.3952 11.1618 11.1621 11.6509 11.6561 12.5537 12.5568 13.0514 13.0521 13.4823 13.4840 k =-0.1667 0.1030 0.0000 ( 4298 PWs) bands (ev): -13.6451 -13.6450 -13.1386 -13.1382 -10.9807 -10.9805 -9.0834 -9.0826 -8.9878 -8.9854 -8.8394 -8.8354 -3.4078 -3.4064 -3.1431 -3.1406 -2.5175 -2.5145 -0.7877 -0.7843 -0.2117 -0.2099 0.1200 0.1203 0.2486 0.2496 0.8154 0.8164 1.6961 1.6961 2.3770 2.3780 2.6492 2.6505 3.1221 3.1240 3.3447 3.3448 3.7337 3.7342 3.7510 3.7512 4.4664 4.4671 4.7936 4.7938 5.3833 5.3835 11.2263 11.2266 11.6282 11.6338 12.5810 12.5842 13.0486 13.0493 13.4692 13.4710 k =-0.1806 0.1116 0.0000 ( 4306 PWs) bands (ev): -13.6331 -13.6330 -13.1391 -13.1387 -11.0103 -11.0101 -9.0803 -9.0795 -8.9886 -8.9862 -8.8370 -8.8329 -3.4263 -3.4248 -3.0898 -3.0871 -2.4748 -2.4715 -0.8013 -0.7977 -0.2411 -0.2390 0.1531 0.1535 0.2217 0.2226 0.7918 0.7929 1.7255 1.7256 2.4019 2.4030 2.6447 2.6462 3.0653 3.0671 3.3227 3.3229 3.7195 3.7200 3.7381 3.7385 4.4718 4.4724 4.8101 4.8104 5.3712 5.3714 11.2944 11.2947 11.6095 11.6153 12.6051 12.6083 13.0461 13.0468 13.4557 13.4574 k =-0.1944 0.1202 0.0000 ( 4310 PWs) bands (ev): -13.6204 -13.6203 -13.1396 -13.1393 -11.0410 -11.0408 -9.0772 -9.0763 -8.9890 -8.9865 -8.8350 -8.8308 -3.4436 -3.4420 -3.0331 -3.0302 -2.4317 -2.4282 -0.8154 -0.8115 -0.2716 -0.2692 0.1871 0.1882 0.1944 0.1945 0.7665 0.7676 1.7566 1.7568 2.4276 2.4288 2.6401 2.6417 3.0059 3.0076 3.2997 3.3002 3.7033 3.7037 3.7259 3.7264 4.4777 4.4782 4.8261 4.8265 5.3587 5.3589 11.3656 11.3660 11.5949 11.6009 12.6258 12.6289 13.0441 13.0447 13.4418 13.4434 k =-0.2083 0.1288 0.0000 ( 4302 PWs) bands (ev): -13.6070 -13.6069 -13.1402 -13.1398 -11.0727 -11.0725 -9.0741 -9.0733 -8.9890 -8.9865 -8.8333 -8.8290 -3.4595 -3.4579 -2.9732 -2.9701 -2.3885 -2.3847 -0.8298 -0.8257 -0.3030 -0.3003 0.1638 0.1647 0.2249 0.2251 0.7394 0.7405 1.7894 1.7896 2.4538 2.4551 2.6354 2.6371 2.9448 2.9463 3.2756 3.2764 3.6853 3.6858 3.7140 3.7146 4.4839 4.4843 4.8413 4.8419 5.3460 5.3462 11.4397 11.4401 11.5846 11.5907 12.6428 12.6457 13.0430 13.0435 13.4275 13.4290 k =-0.2222 0.1374 0.0000 ( 4294 PWs) bands (ev): -13.5931 -13.5930 -13.1408 -13.1404 -11.1051 -11.1049 -9.0712 -9.0703 -8.9887 -8.9861 -8.8321 -8.8276 -3.4742 -3.4726 -2.9103 -2.9070 -2.3453 -2.3413 -0.8446 -0.8402 -0.3351 -0.3320 0.1336 0.1343 0.2629 0.2631 0.7104 0.7117 1.8235 1.8238 2.4801 2.4816 2.6305 2.6324 2.8826 2.8842 3.2503 3.2514 3.6659 3.6664 3.7022 3.7029 4.4902 4.4905 4.8559 4.8566 5.3332 5.3334 11.5162 11.5167 11.5785 11.5847 12.6557 12.6585 13.0430 13.0434 13.4129 13.4143 k =-0.2361 0.1459 0.0000 ( 4282 PWs) bands (ev): -13.5786 -13.5785 -13.1414 -13.1410 -11.1381 -11.1379 -9.0684 -9.0675 -8.9879 -8.9852 -8.8312 -8.8267 -3.4876 -3.4859 -2.8447 -2.8412 -2.3022 -2.2980 -0.8596 -0.8550 -0.3675 -0.3640 0.1024 0.1030 0.3021 0.3023 0.6798 0.6811 1.8590 1.8594 2.5060 2.5077 2.6257 2.6277 2.8205 2.8221 3.2237 3.2251 3.6454 3.6459 3.6904 3.6912 4.4967 4.4969 4.8696 4.8704 5.3204 5.3206 11.5767 11.5830 11.5947 11.5952 12.6644 12.6669 13.0443 13.0446 13.3980 13.3993 k =-0.2500 0.1545 0.0000 ( 4280 PWs) bands (ev): -13.5638 -13.5637 -13.1420 -13.1416 -11.1713 -11.1711 -9.0657 -9.0648 -8.9866 -8.9839 -8.8308 -8.8263 -3.4997 -3.4980 -2.7766 -2.7729 -2.2594 -2.2550 -0.8750 -0.8700 -0.4000 -0.3961 0.0707 0.0711 0.3421 0.3424 0.6477 0.6490 1.8957 1.8962 2.5304 2.5323 2.6208 2.6230 2.7597 2.7614 3.1961 3.1978 3.6237 3.6243 3.6785 3.6794 4.5030 4.5031 4.8824 4.8833 5.3078 5.3080 11.5791 11.5856 11.6748 11.6754 12.6686 12.6708 13.0472 13.0474 13.3828 13.3840 k =-0.2639 0.1631 0.0000 ( 4282 PWs) bands (ev): -13.5486 -13.5485 -13.1426 -13.1422 -11.2046 -11.2044 -9.0632 -9.0623 -8.9849 -8.9822 -8.8309 -8.8263 -3.5106 -3.5089 -2.7062 -2.7023 -2.2170 -2.2124 -0.8905 -0.8853 -0.4324 -0.4281 0.0384 0.0386 0.3823 0.3826 0.6147 0.6160 1.9333 1.9340 2.5506 2.5529 2.6159 2.6183 2.7031 2.7050 3.1677 3.1695 3.6012 3.6018 3.6666 3.6675 4.5091 4.5092 4.8944 4.8953 5.2954 5.2956 11.5858 11.5923 11.7562 11.7569 12.6685 12.6704 13.0516 13.0516 13.3675 13.3686 k =-0.2778 0.1717 0.0000 ( 4286 PWs) bands (ev): -13.5332 -13.5331 -13.1432 -13.1428 -11.2378 -11.2376 -9.0608 -9.0600 -8.9828 -8.9800 -8.8315 -8.8268 -3.5203 -3.5186 -2.6338 -2.6297 -2.1752 -2.1703 -0.9064 -0.9009 -0.4644 -0.4597 0.0058 0.0058 0.4210 0.4213 0.5821 0.5834 1.9717 1.9726 2.5575 2.5600 2.6110 2.6137 2.6603 2.6621 3.1387 3.1408 3.5777 3.5784 3.6546 3.6555 4.5150 4.5150 4.9054 4.9065 5.2833 5.2835 11.5965 11.6030 11.8384 11.8392 12.6641 12.6656 13.0573 13.0573 13.3520 13.3530 k =-0.2917 0.1803 0.0000 ( 4282 PWs) bands (ev): -13.5177 -13.5176 -13.1438 -13.1434 -11.2705 -11.2704 -9.0586 -9.0578 -8.9803 -8.9774 -8.8325 -8.8279 -3.5288 -3.5272 -2.5597 -2.5554 -2.1341 -2.1291 -0.9226 -0.9168 -0.4958 -0.4907 -0.0271 -0.0270 0.4522 0.4528 0.5558 0.5569 2.0108 2.0118 2.5338 2.5353 2.6063 2.6092 2.6496 2.6502 3.1096 3.1120 3.5534 3.5542 3.6425 3.6435 4.5204 4.5204 4.9156 4.9167 5.2716 5.2719 11.6112 11.6177 11.9212 11.9220 12.6556 12.6568 13.0642 13.0642 13.3365 13.3373 k =-0.3056 0.1889 0.0000 ( 4276 PWs) bands (ev): -13.5022 -13.5021 -13.1443 -13.1439 -11.3027 -11.3025 -9.0566 -9.0558 -8.9774 -8.9744 -8.8341 -8.8294 -3.5362 -3.5347 -2.4842 -2.4797 -2.0939 -2.0888 -0.9391 -0.9331 -0.5261 -0.5207 -0.0600 -0.0597 0.4573 0.4584 0.5546 0.5551 2.0503 2.0515 2.4877 2.4883 2.6019 2.6050 2.6608 2.6613 3.0812 3.0838 3.5285 3.5293 3.6304 3.6314 4.5253 4.5254 4.9250 4.9261 5.2605 5.2607 11.6297 11.6362 12.0040 12.0048 12.6433 12.6442 13.0719 13.0720 13.3209 13.3216 k =-0.3194 0.1975 0.0000 ( 4286 PWs) bands (ev): -13.4868 -13.4867 -13.1449 -13.1445 -11.3340 -11.3338 -9.0547 -9.0540 -8.9740 -8.9710 -8.8361 -8.8314 -3.5427 -3.5411 -2.4077 -2.4030 -2.0549 -2.0496 -0.9561 -0.9498 -0.5554 -0.5496 -0.0926 -0.0921 0.4311 0.4326 0.5832 0.5834 2.0899 2.0913 2.4361 2.4363 2.5976 2.6009 2.6766 2.6777 3.0542 3.0570 3.5029 3.5038 3.6183 3.6193 4.5298 4.5300 4.9335 4.9346 5.2499 5.2501 11.6518 11.6582 12.0864 12.0873 12.6275 12.6281 13.0802 13.0803 13.3055 13.3061 k =-0.3333 0.2060 0.0000 ( 4278 PWs) bands (ev): -13.4717 -13.4716 -13.1454 -13.1450 -11.3642 -11.3641 -9.0530 -9.0523 -8.9703 -8.9672 -8.8385 -8.8339 -3.5481 -3.5467 -2.3304 -2.3255 -2.0172 -2.0118 -0.9736 -0.9670 -0.5832 -0.5771 -0.1248 -0.1240 0.3934 0.3950 0.6220 0.6222 2.1294 2.1311 2.3848 2.3848 2.5936 2.5971 2.6914 2.6928 3.0299 3.0329 3.4769 3.4778 3.6063 3.6073 4.5338 4.5340 4.9413 4.9423 5.2399 5.2401 11.6772 11.6835 12.1681 12.1691 12.6086 12.6088 13.0888 13.0889 13.2903 13.2908 k =-0.3472 0.2146 0.0000 ( 4276 PWs) bands (ev): -13.4570 -13.4569 -13.1459 -13.1456 -11.3932 -11.3930 -9.0515 -9.0508 -8.9662 -8.9631 -8.8415 -8.8368 -3.5527 -3.5514 -2.2528 -2.2477 -1.9810 -1.9756 -0.9917 -0.9849 -0.6093 -0.6030 -0.1562 -0.1553 0.3519 0.3535 0.6634 0.6635 2.1684 2.1704 2.3354 2.3354 2.5899 2.5937 2.7025 2.7042 3.0095 3.0127 3.4506 3.4515 3.5944 3.5954 4.5373 4.5375 4.9482 4.9493 5.2306 5.2308 11.7057 11.7118 12.2486 12.2496 12.5866 12.5867 13.0975 13.0975 13.2755 13.2759 k =-0.3611 0.2232 0.0000 ( 4268 PWs) bands (ev): -13.4428 -13.4428 -13.1464 -13.1460 -11.4206 -11.4204 -9.0501 -9.0495 -8.9618 -8.9586 -8.8448 -8.8402 -3.5566 -3.5553 -2.1754 -2.1701 -1.9466 -1.9413 -1.0106 -1.0036 -0.6336 -0.6271 -0.1866 -0.1855 0.3089 0.3106 0.7049 0.7050 2.2067 2.2090 2.2888 2.2889 2.5865 2.5906 2.7082 2.7101 2.9946 2.9977 3.4241 3.4252 3.5827 3.5836 4.5403 4.5405 4.9545 4.9555 5.2221 5.2222 11.7368 11.7429 12.3273 12.3284 12.5618 12.5621 13.1059 13.1059 13.2613 13.2616 k =-0.3750 0.2318 0.0000 ( 4270 PWs) bands (ev): -13.4294 -13.4294 -13.1468 -13.1465 -11.4462 -11.4461 -9.0489 -9.0483 -8.9571 -8.9538 -8.8485 -8.8439 -3.5597 -3.5585 -2.0987 -2.0932 -1.9142 -1.9090 -1.0305 -1.0232 -0.6558 -0.6493 -0.2158 -0.2145 0.2658 0.2675 0.7456 0.7457 2.2435 2.2454 2.2460 2.2466 2.5836 2.5879 2.7078 2.7096 2.9859 2.9889 3.3979 3.3990 3.5712 3.5721 4.5429 4.5430 4.9601 4.9611 5.2142 5.2144 11.7704 11.7763 12.4037 12.4048 12.5345 12.5351 13.1139 13.1140 13.2478 13.2480 k =-0.3889 0.2404 0.0000 ( 4262 PWs) bands (ev): -13.4169 -13.4168 -13.1472 -13.1469 -11.4699 -11.4698 -9.0478 -9.0473 -8.9521 -8.9488 -8.8525 -8.8480 -3.5622 -3.5611 -2.0232 -2.0175 -1.8842 -1.8792 -1.0515 -1.0441 -0.6757 -0.6694 -0.2433 -0.2420 0.2233 0.2250 0.7848 0.7849 2.2058 2.2058 2.2794 2.2823 2.5812 2.5858 2.7015 2.7031 2.9834 2.9862 3.3722 3.3733 3.5602 3.5610 4.5449 4.5451 4.9651 4.9659 5.2072 5.2073 11.8060 11.8116 12.4770 12.4782 12.5051 12.5060 13.1213 13.1215 13.2352 13.2354 k =-0.4028 0.2490 0.0000 ( 4272 PWs) bands (ev): -13.4053 -13.4053 -13.1475 -13.1473 -11.4913 -11.4912 -9.0469 -9.0465 -8.9469 -8.9436 -8.8568 -8.8525 -3.5641 -3.5632 -1.9496 -1.9439 -1.8567 -1.8520 -1.0737 -1.0662 -0.6933 -0.6872 -0.2689 -0.2675 0.1825 0.1841 0.8217 0.8218 2.1699 2.1700 2.3128 2.3160 2.5793 2.5841 2.6904 2.6917 2.9861 2.9886 3.3473 3.3484 3.5497 3.5504 4.5466 4.5468 4.9694 4.9702 5.2009 5.2011 11.8432 11.8486 12.4738 12.4749 12.5468 12.5479 13.1282 13.1284 13.2238 13.2240 k =-0.4167 0.2576 0.0000 ( 4272 PWs) bands (ev): -13.3949 -13.3949 -13.1478 -13.1476 -11.5104 -11.5103 -9.0461 -9.0457 -8.9417 -8.9384 -8.8614 -8.8571 -3.5656 -3.5648 -1.8789 -1.8731 -1.8321 -1.8278 -1.0971 -1.0896 -0.7085 -0.7027 -0.2922 -0.2908 0.1442 0.1458 0.8557 0.8557 2.1382 2.1383 2.3434 2.3468 2.5781 2.5831 2.6765 2.6776 2.9922 2.9942 3.3239 3.3249 3.5399 3.5406 4.5479 4.5481 4.9731 4.9738 5.1955 5.1956 11.8814 11.8865 12.4410 12.4425 12.6117 12.6128 13.1342 13.1345 13.2137 13.2139 k =-0.4306 0.2661 0.0000 ( 4272 PWs) bands (ev): -13.3859 -13.3858 -13.1481 -13.1479 -11.5269 -11.5268 -9.0454 -9.0451 -8.9363 -8.9331 -8.8660 -8.8620 -3.5668 -3.5661 -1.8122 -1.8106 -1.8068 -1.8065 -1.1214 -1.1142 -0.7211 -0.7159 -0.3128 -0.3114 0.1096 0.1111 0.8860 0.8861 2.1108 2.1109 2.3706 2.3742 2.5776 2.5826 2.6617 2.6626 3.0000 3.0017 3.3024 3.3033 3.5310 3.5317 4.5489 4.5491 4.9762 4.9768 5.1909 5.1910 11.9200 11.9247 12.4074 12.4091 12.6708 12.6718 13.1394 13.1398 13.2052 13.2053 k =-0.4444 0.2747 0.0000 ( 4280 PWs) bands (ev): -13.3783 -13.3782 -13.1483 -13.1482 -11.5406 -11.5406 -9.0449 -9.0446 -8.9310 -8.9279 -8.8706 -8.8668 -3.5676 -3.5670 -1.7925 -1.7893 -1.7509 -1.7455 -1.1461 -1.1393 -0.7312 -0.7268 -0.3302 -0.3290 0.0796 0.0809 0.9121 0.9122 2.0880 2.0880 2.3939 2.3974 2.5779 2.5826 2.6475 2.6482 3.0081 3.0094 3.2834 3.2843 3.5234 3.5239 4.5497 4.5498 4.9788 4.9793 5.1871 5.1871 11.9580 11.9623 12.3737 12.3755 12.7226 12.7236 13.1437 13.1441 13.1983 13.1984 k =-0.4583 0.2833 0.0000 ( 4282 PWs) bands (ev): -13.3722 -13.3722 -13.1485 -13.1484 -11.5515 -11.5515 -9.0445 -9.0443 -8.9260 -8.9232 -8.8749 -8.8716 -3.5681 -3.5677 -1.7781 -1.7756 -1.6972 -1.6923 -1.1699 -1.1639 -0.7388 -0.7353 -0.3442 -0.3432 0.0551 0.0561 0.9333 0.9333 2.0699 2.0700 2.4127 2.4157 2.5789 2.5830 2.6353 2.6359 3.0155 3.0165 3.2677 3.2684 3.5171 3.5175 4.5502 4.5503 4.9808 4.9811 5.1841 5.1842 11.9941 11.9978 12.3412 12.3431 12.7657 12.7665 13.1471 13.1474 13.1932 13.1933 k =-0.4722 0.2919 0.0000 ( 4292 PWs) bands (ev): -13.3678 -13.3678 -13.1486 -13.1485 -11.5593 -11.5593 -9.0441 -9.0440 -8.9215 -8.9192 -8.8785 -8.8759 -3.5685 -3.5682 -1.7675 -1.7658 -1.6538 -1.6500 -1.1905 -1.1859 -0.7439 -0.7415 -0.3544 -0.3537 0.0370 0.0377 0.9489 0.9489 2.0568 2.0568 2.4265 2.4288 2.5803 2.5834 2.6260 2.6264 3.0214 3.0220 3.2559 3.2564 3.5125 3.5127 4.5506 4.5507 4.9822 4.9824 5.1820 5.1820 12.0259 12.0287 12.3125 12.3141 12.7982 12.7987 13.1495 13.1497 13.1897 13.1898 k =-0.4861 0.3005 0.0000 ( 4292 PWs) bands (ev): -13.3652 -13.3652 -13.1487 -13.1486 -11.5641 -11.5641 -9.0440 -9.0439 -8.9180 -8.9167 -8.8808 -8.8793 -3.5686 -3.5685 -1.7608 -1.7600 -1.6246 -1.6225 -1.2046 -1.2021 -0.7467 -0.7455 -0.3605 -0.3602 0.0260 0.0264 0.9584 0.9585 2.0489 2.0489 2.4352 2.4364 2.5817 2.5834 2.6202 2.6204 3.0251 3.0255 3.2486 3.2489 3.5096 3.5098 4.5508 4.5509 4.9831 4.9832 5.1807 5.1808 12.0492 12.0509 12.2915 12.2925 12.8185 12.8188 13.1509 13.1511 13.1878 13.1878 k =-0.5000 0.3091 0.0000 ( 4290 PWs) bands (ev): -13.3643 -13.3643 -13.1487 -13.1487 -11.5657 -11.5657 -9.0439 -9.0439 -8.9163 -8.9163 -8.8811 -8.8811 -3.5686 -3.5686 -1.7583 -1.7583 -1.6136 -1.6136 -1.2089 -1.2089 -0.7473 -0.7473 -0.3625 -0.3625 0.0224 0.0224 0.9617 0.9617 2.0462 2.0462 2.4385 2.4385 2.5829 2.5829 2.6183 2.6183 3.0266 3.0266 3.2463 3.2463 3.5087 3.5087 4.5509 4.5509 4.9834 4.9834 5.1803 5.1803 12.0587 12.0587 12.2839 12.2839 12.8256 12.8256 13.1515 13.1515 13.1872 13.1872 k =-0.5000 0.3091 0.0000 ( 4290 PWs) bands (ev): -13.3643 -13.3643 -13.1487 -13.1487 -11.5657 -11.5657 -9.0439 -9.0439 -8.9163 -8.9163 -8.8811 -8.8811 -3.5686 -3.5686 -1.7583 -1.7583 -1.6136 -1.6136 -1.2089 -1.2089 -0.7473 -0.7473 -0.3625 -0.3625 0.0224 0.0224 0.9617 0.9617 2.0462 2.0462 2.4385 2.4385 2.5829 2.5829 2.6183 2.6183 3.0266 3.0266 3.2463 3.2463 3.5087 3.5087 4.5509 4.5509 4.9834 4.9834 5.1803 5.1803 12.0587 12.0587 12.2839 12.2839 12.8256 12.8256 13.1515 13.1515 13.1872 13.1872 k =-0.4914 0.3229-0.0000 ( 4286 PWs) bands (ev): -13.3644 -13.3644 -13.1487 -13.1487 -11.5647 -11.5647 -9.0553 -9.0528 -8.9159 -8.9155 -8.8739 -8.8709 -3.5683 -3.5682 -1.7651 -1.7645 -1.6030 -1.6029 -1.2096 -1.2096 -0.7487 -0.7484 -0.3764 -0.3724 0.0315 0.0357 0.9615 0.9619 2.0458 2.0462 2.4371 2.4400 2.5805 2.5816 2.6182 2.6209 3.0248 3.0261 3.2471 3.2473 3.5085 3.5086 4.5518 4.5522 4.9798 4.9806 5.1794 5.1803 12.0591 12.0593 12.2849 12.2850 12.8285 12.8289 13.1163 13.1337 13.2099 13.2267 k =-0.4828 0.3368-0.0000 ( 4282 PWs) bands (ev): -13.3649 -13.3649 -13.1489 -13.1489 -11.5618 -11.5618 -9.0820 -9.0781 -8.9143 -8.9137 -8.8534 -8.8486 -3.5671 -3.5669 -1.7805 -1.7793 -1.5754 -1.5751 -1.2119 -1.2118 -0.7526 -0.7521 -0.4101 -0.4033 0.0600 0.0673 0.9613 0.9620 2.0451 2.0458 2.4359 2.4415 2.5744 2.5766 2.6207 2.6261 3.0209 3.0235 3.2499 3.2504 3.5080 3.5082 4.5547 4.5556 4.9700 4.9716 5.1775 5.1791 12.0604 12.0609 12.2881 12.2881 12.8371 12.8381 13.0811 13.0997 13.2585 13.2758 k =-0.4743 0.3507-0.0000 ( 4286 PWs) bands (ev): -13.3656 -13.3656 -13.1492 -13.1492 -11.5571 -11.5570 -9.1169 -9.1125 -8.9118 -8.9108 -8.8266 -8.8209 -3.5652 -3.5649 -1.7981 -1.7964 -1.5373 -1.5366 -1.2156 -1.2155 -0.7590 -0.7582 -0.4569 -0.4485 0.1014 0.1106 0.9611 0.9621 2.0441 2.0451 2.4349 2.4428 2.5647 2.5679 2.6260 2.6335 3.0149 3.0187 3.2546 3.2553 3.5071 3.5074 4.5598 4.5612 4.9545 4.9566 5.1743 5.1765 12.0628 12.0636 12.2934 12.2934 12.8496 12.8512 13.0529 13.0722 13.3119 13.3291 k =-0.4657 0.3646-0.0000 ( 4286 PWs) bands (ev): -13.3667 -13.3667 -13.1495 -13.1495 -11.5504 -11.5503 -9.1565 -9.1518 -8.9081 -8.9069 -8.7979 -8.7915 -3.5625 -3.5621 -1.8145 -1.8124 -1.4921 -1.4911 -1.2208 -1.2207 -0.7678 -0.7667 -0.5117 -0.5023 0.1501 0.1604 0.9608 0.9621 2.0429 2.0442 2.4341 2.4439 2.5512 2.5555 2.6339 2.6433 3.0068 3.0119 3.2613 3.2622 3.5060 3.5064 4.5670 4.5688 4.9336 4.9363 5.1695 5.1723 12.0663 12.0675 12.3007 12.3007 12.8623 12.8645 13.0362 13.0557 13.3688 13.3857 k =-0.4571 0.3785-0.0000 ( 4286 PWs) bands (ev): -13.3681 -13.3681 -13.1500 -13.1500 -11.5418 -11.5417 -9.1987 -9.1941 -8.9034 -8.9019 -8.7691 -8.7624 -3.5590 -3.5586 -1.8281 -1.8256 -1.4416 -1.4402 -1.2274 -1.2273 -0.7789 -0.7776 -0.5713 -0.5613 0.2025 0.2136 0.9602 0.9619 2.0417 2.0432 2.4336 2.4446 2.5339 2.5392 2.6445 2.6552 2.9968 3.0030 3.2698 3.2710 3.5046 3.5051 4.5763 4.5784 4.9081 4.9111 5.1630 5.1662 12.0709 12.0727 12.3100 12.3101 12.8701 12.8718 13.0367 13.0553 13.4286 13.4453 k =-0.4485 0.3924-0.0000 ( 4286 PWs) bands (ev): -13.3699 -13.3698 -13.1505 -13.1505 -11.5313 -11.5312 -9.2428 -9.2383 -8.8977 -8.8958 -8.7413 -8.7342 -3.5549 -3.5544 -1.8381 -1.8352 -1.3867 -1.3849 -1.2354 -1.2353 -0.7923 -0.7906 -0.6337 -0.6235 0.2567 0.2683 0.9592 0.9612 2.0407 2.0424 2.4332 2.4450 2.5129 2.5191 2.6575 2.6690 2.9849 2.9922 3.2802 3.2817 3.5030 3.5036 4.5874 4.5901 4.8784 4.8817 5.1546 5.1580 12.0768 12.0792 12.3214 12.3215 12.8697 12.8699 13.0576 13.0741 13.4912 13.5075 k =-0.4399 0.4063-0.0000 ( 4286 PWs) bands (ev): -13.3719 -13.3719 -13.1511 -13.1511 -11.5189 -11.5188 -9.2883 -9.2839 -8.8909 -8.8887 -8.7148 -8.7075 -3.5501 -3.5495 -1.8441 -1.8409 -1.3279 -1.3257 -1.2448 -1.2447 -0.8077 -0.8057 -0.6979 -0.6876 0.3115 0.3234 0.9578 0.9601 2.0401 2.0419 2.4330 2.4451 2.4882 2.4952 2.6729 2.6847 2.9712 2.9796 3.2925 3.2943 3.5012 3.5020 4.6005 4.6036 4.8452 4.8486 5.1441 5.1477 12.0838 12.0869 12.3346 12.3347 12.8617 12.8630 13.0955 13.1099 13.5560 13.5719 k =-0.4313 0.4201-0.0000 ( 4276 PWs) bands (ev): -13.3744 -13.3743 -13.1518 -13.1518 -11.5046 -11.5045 -9.3347 -9.3305 -8.8831 -8.8807 -8.6901 -8.6825 -3.5447 -3.5441 -1.8460 -1.8425 -1.2665 -1.2636 -1.2548 -1.2546 -0.8251 -0.8228 -0.7632 -0.7529 0.3661 0.3783 0.9556 0.9582 2.0400 2.0420 2.4327 2.4449 2.4597 2.4674 2.6903 2.7020 2.9560 2.9653 3.3066 3.3089 3.4992 3.5002 4.6155 4.6189 4.8088 4.8123 5.1315 5.1352 12.0919 12.0959 12.3497 12.3498 12.8520 12.8541 13.1455 13.1582 13.5896 13.5909 k =-0.4228 0.4340-0.0000 ( 4284 PWs) bands (ev): -13.3771 -13.3771 -13.1525 -13.1525 -11.4884 -11.4883 -9.3818 -9.3777 -8.8744 -8.8716 -8.6673 -8.6595 -3.5389 -3.5381 -1.8438 -1.8399 -1.2681 -1.2678 -1.1995 -1.1967 -0.8447 -0.8415 -0.8284 -0.8188 0.4202 0.4325 0.9527 0.9555 2.0408 2.0428 2.4259 2.4342 2.4356 2.4446 2.7094 2.7207 2.9392 2.9495 3.3226 3.3253 3.4971 3.4983 4.6321 4.6359 4.7699 4.7734 5.1170 5.1207 12.1010 12.1058 12.3665 12.3667 12.8439 12.8461 13.2040 13.2156 13.5507 13.5521 k =-0.4142 0.4479-0.0000 ( 4278 PWs) bands (ev): -13.3803 -13.3802 -13.1532 -13.1532 -11.4704 -11.4703 -9.4294 -9.4255 -8.8647 -8.8616 -8.6465 -8.6385 -3.5325 -3.5318 -1.8374 -1.8333 -1.2814 -1.2811 -1.1310 -1.1277 -0.8956 -0.8848 -0.8641 -0.8618 0.4733 0.4858 0.9487 0.9518 2.0426 2.0445 2.3907 2.4001 2.4334 2.4440 2.7300 2.7407 2.9211 2.9321 3.3403 3.3437 3.4950 3.4964 4.6504 4.6545 4.7287 4.7322 5.1006 5.1044 12.1106 12.1165 12.3850 12.3851 12.8392 12.8410 13.2692 13.2800 13.5080 13.5093 k =-0.4056 0.4618-0.0000 ( 4272 PWs) bands (ev): -13.3839 -13.3838 -13.1539 -13.1539 -11.4505 -11.4504 -9.4774 -9.4736 -8.8540 -8.8507 -8.6279 -8.6197 -3.5259 -3.5250 -1.8270 -1.8226 -1.2960 -1.2957 -1.0598 -1.0560 -0.9610 -0.9505 -0.8864 -0.8835 0.5253 0.5379 0.9435 0.9468 2.0455 2.0474 2.3510 2.3607 2.4337 2.4435 2.7517 2.7616 2.9017 2.9135 3.3597 3.3639 3.4929 3.4948 4.6700 4.6746 4.6857 4.6893 5.0825 5.0862 12.1207 12.1275 12.4049 12.4051 12.8388 12.8401 13.3398 13.3499 13.4623 13.4637 k =-0.3970 0.4757-0.0000 ( 4272 PWs) bands (ev): -13.3878 -13.3877 -13.1546 -13.1546 -11.4288 -11.4286 -9.5255 -9.5219 -8.8426 -8.8390 -8.6113 -8.6030 -3.5189 -3.5180 -1.8128 -1.8081 -1.3118 -1.3115 -1.0273 -1.0165 -0.9847 -0.9810 -0.9096 -0.9065 0.5760 0.5887 0.9369 0.9404 2.0497 2.0516 2.3076 2.3177 2.4342 2.4431 2.7743 2.7833 2.8813 2.8936 3.3806 3.3859 3.4909 3.4935 4.6413 4.6445 4.6915 4.6961 5.0629 5.0666 12.1307 12.1386 12.4262 12.4264 12.8435 12.8440 13.4131 13.4141 13.4176 13.4250 k =-0.3884 0.4896-0.0000 ( 4282 PWs) bands (ev): -13.3922 -13.3921 -13.1553 -13.1552 -11.4052 -11.4050 -9.5736 -9.5702 -8.8303 -8.8264 -8.5970 -8.5885 -3.5119 -3.5109 -1.7950 -1.7902 -1.3288 -1.3284 -1.0909 -1.0804 -0.9343 -0.9304 -0.9086 -0.9048 0.6254 0.6380 0.9287 0.9324 2.0554 2.0573 2.2606 2.2710 2.4350 2.4429 2.7975 2.8055 2.8599 2.8726 3.4027 3.4096 3.4892 3.4929 4.5959 4.5990 4.7139 4.7189 5.0420 5.0456 12.1404 12.1494 12.4486 12.4489 12.8534 12.8538 13.3650 13.3663 13.4937 13.5030 k =-0.3798 0.5034-0.0000 ( 4286 PWs) bands (ev): -13.3970 -13.3969 -13.1559 -13.1559 -11.3798 -11.3796 -9.6216 -9.6184 -8.8172 -8.8130 -8.5848 -8.5762 -3.5047 -3.5037 -1.7743 -1.7693 -1.3468 -1.3463 -1.1536 -1.1432 -0.9592 -0.9552 -0.8306 -0.8261 0.6732 0.6859 0.9189 0.9227 2.0628 2.0646 2.2103 2.2209 2.4361 2.4429 2.8207 2.8278 2.8377 2.8507 3.4253 3.4348 3.4880 3.4940 4.5497 4.5528 4.7375 4.7428 5.0201 5.0236 12.1496 12.1595 12.4720 12.4723 12.8686 12.8700 13.3141 13.3154 13.5755 13.5845 k =-0.3713 0.5173-0.0000 ( 4288 PWs) bands (ev): -13.4021 -13.4020 -13.1564 -13.1564 -11.3526 -11.3524 -9.6694 -9.6664 -8.8034 -8.7989 -8.5747 -8.5660 -3.4977 -3.4966 -1.7513 -1.7463 -1.3657 -1.3652 -1.2142 -1.2037 -0.9848 -0.9805 -0.7504 -0.7455 0.7197 0.7323 0.9072 0.9111 2.0719 2.0737 2.1568 2.1675 2.4376 2.4433 2.8139 2.8277 2.8449 2.8504 3.4463 3.4605 3.4884 3.4986 4.5032 4.5061 4.7621 4.7677 4.9973 5.0006 12.1581 12.1688 12.4961 12.4964 12.8899 12.8922 13.2623 13.2635 13.6600 13.6688 k =-0.3627 0.5312-0.0000 ( 4294 PWs) bands (ev): -13.4078 -13.4077 -13.1569 -13.1569 -11.3236 -11.3233 -9.7169 -9.7140 -8.7889 -8.7842 -8.5666 -8.5579 -3.4910 -3.4898 -1.7274 -1.7224 -1.3857 -1.3850 -1.2713 -1.2607 -1.0109 -1.0063 -0.6685 -0.6632 0.7646 0.7773 0.8936 0.8976 2.0828 2.0846 2.1003 2.1112 2.4395 2.4442 2.7900 2.8040 2.8681 2.8725 3.4614 3.4782 3.4990 3.5112 4.4565 4.4592 4.7876 4.7934 4.9738 4.9770 12.1656 12.1770 12.5205 12.5209 12.9174 12.9205 13.2096 13.2106 13.7466 13.7552 k =-0.3541 0.5451-0.0000 ( 4289 PWs) bands (ev): -13.4138 -13.4137 -13.1573 -13.1573 -11.2928 -11.2926 -9.7639 -9.7612 -8.7738 -8.7688 -8.5606 -8.5519 -3.4845 -3.4834 -1.7047 -1.6998 -1.4065 -1.4058 -1.3228 -1.3121 -1.0371 -1.0322 -0.5851 -0.5795 0.8081 0.8208 0.8780 0.8820 2.0411 2.0516 2.0961 2.0976 2.4418 2.4455 2.7653 2.7795 2.8909 2.8942 3.4691 3.4814 3.5263 3.5335 4.4099 4.4125 4.8139 4.8199 4.9499 4.9530 12.1723 12.1843 12.5450 12.5455 12.9509 12.9548 13.1563 13.1571 13.8349 13.8434 k =-0.3455 0.5590-0.0000 ( 4293 PWs) bands (ev): -13.4203 -13.4202 -13.1576 -13.1576 -11.2603 -11.2600 -9.8104 -9.8078 -8.7582 -8.7529 -8.5565 -8.5478 -3.4786 -3.4774 -1.6873 -1.6826 -1.4283 -1.4275 -1.3648 -1.3540 -1.0632 -1.0579 -0.5006 -0.4946 0.8500 0.8589 0.8642 0.8647 1.9793 1.9899 2.1111 2.1126 2.4447 2.4475 2.7399 2.7542 2.9131 2.9152 3.4727 3.4824 3.5580 3.5620 4.3636 4.3660 4.8408 4.8469 4.9257 4.9286 12.1781 12.1905 12.5689 12.5696 12.9902 12.9947 13.1027 13.1033 13.8432 13.8437 k =-0.3455 0.5590-0.0000 ( 4293 PWs) bands (ev): -13.4203 -13.4202 -13.1576 -13.1576 -11.2603 -11.2600 -9.8104 -9.8078 -8.7582 -8.7529 -8.5565 -8.5478 -3.4786 -3.4774 -1.6873 -1.6826 -1.4283 -1.4275 -1.3648 -1.3540 -1.0632 -1.0579 -0.5006 -0.4946 0.8500 0.8589 0.8642 0.8647 1.9793 1.9899 2.1111 2.1126 2.4447 2.4475 2.7399 2.7542 2.9131 2.9152 3.4727 3.4824 3.5580 3.5620 4.3636 4.3660 4.8408 4.8469 4.9257 4.9286 12.1781 12.1905 12.5689 12.5696 12.9902 12.9947 13.1027 13.1033 13.8432 13.8437 k =-0.3455 0.5590 0.0163 ( 4295 PWs) bands (ev): -13.4201 -13.4200 -13.1577 -13.1577 -11.2594 -11.2591 -9.8099 -9.8073 -8.7606 -8.7553 -8.5575 -8.5487 -3.4762 -3.4749 -1.6988 -1.6938 -1.4287 -1.4279 -1.3508 -1.3402 -1.0618 -1.0565 -0.5044 -0.4984 0.8520 0.8598 0.8653 0.8659 1.9773 1.9878 2.1102 2.1117 2.4450 2.4477 2.7392 2.7534 2.9150 2.9170 3.4710 3.4803 3.5607 3.5644 4.3635 4.3659 4.8405 4.8466 4.9250 4.9280 12.1756 12.1879 12.5665 12.5672 12.9915 12.9959 13.0994 13.1000 13.8412 13.8417 k =-0.3455 0.5590 0.0327 ( 4294 PWs) bands (ev): -13.4195 -13.4194 -13.1580 -13.1580 -11.2564 -11.2561 -9.8083 -9.8057 -8.7677 -8.7624 -8.5602 -8.5515 -3.4687 -3.4675 -1.7283 -1.7231 -1.4298 -1.4290 -1.3135 -1.3031 -1.0575 -1.0522 -0.5157 -0.5099 0.8576 0.8619 0.8673 0.8712 1.9714 1.9817 2.1075 2.1090 2.4459 2.4485 2.7369 2.7508 2.9204 2.9224 3.4663 3.4749 3.5679 3.5709 4.3630 4.3654 4.8395 4.8456 4.9231 4.9261 12.1680 12.1802 12.5592 12.5599 12.9953 12.9993 13.0895 13.0902 13.8356 13.8361 k =-0.3455 0.5590 0.0490 ( 4292 PWs) bands (ev): -13.4186 -13.4185 -13.1585 -13.1585 -11.2516 -11.2513 -9.8056 -9.8030 -8.7794 -8.7742 -8.5648 -8.5561 -3.4564 -3.4553 -1.7676 -1.7623 -1.4318 -1.4311 -1.2612 -1.2509 -1.0503 -1.0451 -0.5341 -0.5286 0.8650 0.8660 0.8713 0.8800 1.9615 1.9715 2.1031 2.1045 2.4475 2.4499 2.7330 2.7465 2.9294 2.9313 3.4595 3.4674 3.5783 3.5807 4.3622 4.3646 4.8379 4.8440 4.9199 4.9228 12.1561 12.1681 12.5474 12.5480 13.0015 13.0049 13.0731 13.0738 13.8277 13.8282 k =-0.3455 0.5590 0.0653 ( 4305 PWs) bands (ev): -13.4173 -13.4172 -13.1593 -13.1593 -11.2448 -11.2445 -9.8018 -9.7993 -8.7958 -8.7906 -8.5711 -8.5625 -3.4394 -3.4383 -1.8111 -1.8056 -1.4348 -1.4341 -1.1996 -1.1895 -1.0402 -1.0349 -0.5592 -0.5540 0.8692 0.8728 0.8810 0.8919 1.9479 1.9574 2.0971 2.0985 2.4499 2.4520 2.7275 2.7404 2.9417 2.9435 3.4516 3.4590 3.5908 3.5928 4.3612 4.3635 4.8356 4.8417 4.9154 4.9183 12.1406 12.1525 12.5312 12.5317 13.0098 13.0125 13.0503 13.0511 13.8188 13.8193 k =-0.3455 0.5590 0.0816 ( 4302 PWs) bands (ev): -13.4156 -13.4155 -13.1603 -13.1602 -11.2360 -11.2358 -9.7970 -9.7945 -8.8165 -8.8115 -8.5792 -8.5708 -3.4177 -3.4168 -1.8555 -1.8500 -1.4388 -1.4381 -1.1322 -1.1221 -1.0269 -1.0217 -0.5903 -0.5855 0.8745 0.8785 0.8953 0.9061 1.9307 1.9396 2.0896 2.0910 2.4531 2.4549 2.7201 2.7323 2.9569 2.9586 3.4432 3.4501 3.6048 3.6065 4.3598 4.3621 4.8327 4.8387 4.9097 4.9125 12.1225 12.1342 12.5110 12.5114 13.0179 13.0198 13.0239 13.0246 13.8100 13.8105 k =-0.3455 0.5590 0.0980 ( 4296 PWs) bands (ev): -13.4136 -13.4135 -13.1614 -13.1614 -11.2254 -11.2251 -9.7911 -9.7886 -8.8415 -8.8366 -8.5891 -8.5808 -3.3918 -3.3909 -1.8991 -1.8937 -1.4439 -1.4432 -1.0607 -1.0506 -1.0103 -1.0053 -0.6266 -0.6222 0.8809 0.8851 0.9117 0.9219 1.9101 1.9183 2.0810 2.0824 2.4573 2.4587 2.7108 2.7221 2.9749 2.9765 3.4347 3.4412 3.6199 3.6214 4.3582 4.3605 4.8289 4.8349 4.9026 4.9054 12.1030 12.1145 12.4871 12.4874 12.9875 12.9885 13.0328 13.0336 13.8016 13.8022 k =-0.3455 0.5590 0.1143 ( 4295 PWs) bands (ev): -13.4112 -13.4111 -13.1628 -13.1628 -11.2128 -11.2125 -9.7841 -9.7817 -8.8706 -8.8657 -8.6007 -8.5925 -3.3618 -3.3611 -1.9410 -1.9357 -1.4502 -1.4495 -0.9927 -0.9857 -0.9841 -0.9762 -0.6672 -0.6631 0.8885 0.8928 0.9291 0.9386 1.8862 1.8937 2.0714 2.0727 2.4626 2.4636 2.6993 2.7097 2.9952 2.9967 3.4263 3.4325 3.6358 3.6372 4.3564 4.3586 4.8243 4.8302 4.8942 4.8970 12.0830 12.0943 12.4597 12.4600 12.9503 12.9514 13.0465 13.0465 13.7937 13.7943 k =-0.3455 0.5590 0.1306 ( 4301 PWs) bands (ev): -13.4085 -13.4084 -13.1644 -13.1644 -11.1983 -11.1980 -9.7760 -9.7737 -8.9035 -8.8987 -8.6139 -8.6058 -3.3280 -3.3274 -1.9807 -1.9756 -1.4578 -1.4571 -0.9678 -0.9626 -0.9100 -0.9006 -0.7107 -0.7070 0.8972 0.9016 0.9468 0.9557 1.8593 1.8660 2.0611 2.0624 2.4688 2.4694 2.6856 2.6949 3.0176 3.0189 3.4180 3.4240 3.6524 3.6538 4.3544 4.3566 4.8189 4.8247 4.8846 4.8873 12.0636 12.0748 12.4291 12.4292 12.9110 12.9121 13.0609 13.0617 13.7858 13.7863 k =-0.3455 0.5590 0.1470 ( 4305 PWs) bands (ev): -13.4054 -13.4053 -13.1663 -13.1662 -11.1818 -11.1816 -9.7669 -9.7646 -8.9399 -8.9353 -8.6288 -8.6208 -3.2907 -3.2903 -2.0178 -2.0129 -1.4668 -1.4661 -0.9411 -0.9361 -0.8381 -0.8297 -0.7517 -0.7472 0.9070 0.9116 0.9643 0.9725 1.8297 1.8355 2.0504 2.0518 2.4760 2.4762 2.6694 2.6777 3.0417 3.0428 3.4099 3.4158 3.6696 3.6710 4.3523 4.3544 4.8125 4.8182 4.8737 4.8764 12.0456 12.0567 12.3953 12.3953 12.8714 12.8724 13.0766 13.0783 13.7772 13.7777 k =-0.3455 0.5590 0.1633 ( 4307 PWs) bands (ev): -13.4020 -13.4019 -13.1683 -13.1683 -11.1635 -11.1633 -9.7568 -9.7545 -8.9797 -8.9752 -8.6451 -8.6374 -3.2504 -3.2501 -2.0522 -2.0474 -1.4772 -1.4766 -0.9110 -0.9061 -0.8266 -0.8236 -0.7335 -0.7240 0.9180 0.9227 0.9810 0.9884 1.7975 1.8025 2.0396 2.0411 2.4838 2.4840 2.6507 2.6578 3.0671 3.0681 3.4022 3.4079 3.6873 3.6888 4.3501 4.3521 4.8051 4.8107 4.8616 4.8641 12.0298 12.0409 12.3584 12.3585 12.8330 12.8340 13.0935 13.0960 13.7672 13.7676 k =-0.3455 0.5590 0.1796 ( 4309 PWs) bands (ev): -13.3983 -13.3982 -13.1705 -13.1705 -11.1433 -11.1432 -9.7456 -9.7434 -9.0225 -9.0182 -8.6630 -8.6555 -3.2072 -3.2071 -2.0835 -2.0790 -1.4891 -1.4884 -0.8790 -0.8734 -0.8716 -0.8703 -0.6580 -0.6480 0.9302 0.9350 0.9964 1.0032 1.7630 1.7671 2.0292 2.0307 2.4922 2.4926 2.6292 2.6352 3.0936 3.0945 3.3948 3.4004 3.7054 3.7070 4.3478 4.3498 4.7965 4.8020 4.8483 4.8507 12.0168 12.0279 12.3189 12.3191 12.7973 12.7983 13.1114 13.1147 13.7550 13.7554 k =-0.3455 0.5590 0.1959 ( 4307 PWs) bands (ev): -13.3943 -13.3942 -13.1730 -13.1730 -11.1212 -11.1211 -9.7333 -9.7312 -9.0682 -9.0640 -8.6823 -8.6750 -3.1616 -3.1616 -2.1118 -2.1076 -1.5024 -1.5018 -0.9271 -0.9251 -0.8399 -0.8354 -0.5766 -0.5666 0.9434 0.9484 1.0103 1.0164 1.7264 1.7297 2.0193 2.0209 2.5010 2.5018 2.6050 2.6098 3.1209 3.1216 3.3878 3.3932 3.7239 3.7257 4.3457 4.3475 4.7869 4.7922 4.8338 4.8362 12.0072 12.0183 12.2772 12.2776 12.7653 12.7663 13.1301 13.1342 13.7399 13.7403 k =-0.3455 0.5590 0.2123 ( 4307 PWs) bands (ev): -13.3901 -13.3899 -13.1757 -13.1757 -11.0973 -11.0972 -9.7200 -9.7180 -9.1163 -9.1123 -8.7029 -8.6958 -3.1141 -3.1140 -2.1370 -2.1330 -1.5173 -1.5166 -0.9828 -0.9812 -0.7992 -0.7949 -0.4938 -0.4837 0.9578 0.9628 1.0224 1.0277 1.6879 1.6904 2.0104 2.0121 2.5100 2.5111 2.5779 2.5815 3.1485 3.1491 3.3811 3.3865 3.7428 3.7449 4.3436 4.3454 4.7760 4.7812 4.8183 4.8205 12.0014 12.0125 12.2340 12.2346 12.7376 12.7386 13.1492 13.1542 13.7213 13.7217 k =-0.3455 0.5590 0.2286 ( 4311 PWs) bands (ev): -13.3855 -13.3854 -13.1786 -13.1786 -11.0715 -11.0715 -9.7057 -9.7038 -9.1667 -9.1628 -8.7248 -8.7179 -3.0648 -3.0646 -2.1591 -2.1552 -1.5336 -1.5330 -1.0398 -1.0385 -0.7550 -0.7509 -0.4105 -0.4005 0.9731 0.9783 1.0324 1.0370 1.6478 1.6494 2.0027 2.0046 2.5189 2.5202 2.5480 2.5504 3.1762 3.1766 3.3750 3.3803 3.7622 3.7644 4.3417 4.3435 4.7638 4.7689 4.8017 4.8038 11.9997 12.0109 12.1902 12.1911 12.7146 12.7156 13.1685 13.1742 13.6985 13.6989 k =-0.3455 0.5590 0.2449 ( 4305 PWs) bands (ev): -13.3807 -13.3806 -13.1818 -13.1817 -11.0439 -11.0439 -9.6904 -9.6886 -9.2191 -9.2154 -8.7478 -8.7413 -3.0142 -3.0138 -2.1779 -2.1743 -1.5514 -1.5508 -1.0975 -1.0964 -0.7073 -0.7035 -0.3272 -0.3173 0.9895 0.9948 1.0402 1.0442 1.6062 1.6071 1.9967 1.9987 2.5145 2.5154 2.5282 2.5300 3.2036 3.2038 3.3693 3.3746 3.7820 3.7845 4.3401 4.3419 4.7502 4.7552 4.7841 4.7861 12.0023 12.0135 12.1470 12.1480 12.6963 12.6973 13.1872 13.1938 13.6707 13.6712 k =-0.3455 0.5590 0.2613 ( 4303 PWs) bands (ev): -13.3757 -13.3755 -13.1851 -13.1851 -11.0146 -11.0145 -9.6740 -9.6724 -9.2733 -9.2697 -8.7720 -8.7657 -2.9624 -2.9619 -2.1935 -2.1902 -1.5707 -1.5702 -1.1555 -1.1547 -0.6563 -0.6527 -0.2445 -0.2345 1.0067 1.0122 1.0458 1.0491 1.5635 1.5637 1.9926 1.9948 2.4788 2.4790 2.5358 2.5378 3.2302 3.2302 3.3643 3.3695 3.8024 3.8051 4.3389 4.3406 4.7353 4.7401 4.7658 4.7677 12.0095 12.0207 12.1052 12.1065 12.6825 12.6835 13.2048 13.2122 13.6373 13.6380 k =-0.3455 0.5590 0.2776 ( 4297 PWs) bands (ev): -13.3704 -13.3703 -13.1886 -13.1886 -10.9834 -10.9834 -9.6567 -9.6552 -9.3290 -9.3255 -8.7972 -8.7911 -2.9098 -2.9092 -2.2059 -2.2028 -1.5915 -1.5910 -1.2136 -1.2130 -0.6021 -0.5988 -0.1626 -0.1527 1.0246 1.0301 1.0492 1.0517 1.5195 1.5198 1.9906 1.9930 2.4390 2.4404 2.5428 2.5449 3.2553 3.2557 3.3600 3.3652 3.8234 3.8263 4.3382 4.3399 4.7189 4.7236 4.7467 4.7484 12.0211 12.0323 12.0660 12.0676 12.6728 12.6738 13.2204 13.2286 13.5974 13.5984 k =-0.3455 0.5590 0.2939 ( 4291 PWs) bands (ev): -13.3649 -13.3648 -13.1924 -13.1924 -10.9506 -10.9504 -9.6384 -9.6370 -9.3859 -9.3826 -8.8233 -8.8175 -2.8567 -2.8559 -2.2151 -2.2123 -1.6138 -1.6133 -1.2714 -1.2710 -0.5447 -0.5418 -0.0819 -0.0721 1.0426 1.0470 1.0515 1.0522 1.4749 1.4758 1.9912 1.9938 2.3965 2.3990 2.5483 2.5507 3.2787 3.2795 3.3567 3.3620 3.8452 3.8482 4.3380 4.3396 4.7011 4.7057 4.7270 4.7286 12.0300 12.0316 12.0376 12.0490 12.6668 12.6678 13.2329 13.2419 13.5503 13.5517 k =-0.3455 0.5590 0.3102 ( 4295 PWs) bands (ev): -13.3593 -13.3591 -13.1964 -13.1964 -10.9159 -10.9157 -9.6192 -9.6179 -9.4439 -9.4408 -8.8502 -8.8447 -2.8033 -2.8024 -2.2211 -2.2185 -1.6375 -1.6370 -1.3288 -1.3285 -0.4845 -0.4819 -0.0029 0.0068 1.0482 1.0496 1.0612 1.0668 1.4307 1.4319 1.9944 1.9972 2.3514 2.3551 2.5522 2.5548 3.2996 3.3008 3.3549 3.3603 3.8678 3.8710 4.3384 4.3400 4.6819 4.6863 4.7068 4.7083 11.9987 12.0006 12.0582 12.0695 12.6639 12.6649 13.2409 13.2506 13.4959 13.4978 k =-0.3455 0.5590 0.3266 ( 4299 PWs) bands (ev): -13.3534 -13.3533 -13.2006 -13.2005 -10.8796 -10.8794 -9.5990 -9.5979 -9.5027 -9.4998 -8.8779 -8.8727 -2.7498 -2.7489 -2.2240 -2.2216 -1.6626 -1.6622 -1.3855 -1.3854 -0.4214 -0.4192 0.0742 0.0838 1.0446 1.0455 1.0776 1.0829 1.3883 1.3895 2.0006 2.0035 2.3040 2.3088 2.5540 2.5568 3.3168 3.3184 3.3556 3.3610 3.8915 3.8947 4.3395 4.3411 4.6612 4.6654 4.6863 4.6876 11.9722 11.9744 12.0834 12.0947 12.6633 12.6643 13.2430 13.2533 13.4346 13.4372 k =-0.3455 0.5590 0.3429 ( 4301 PWs) bands (ev): -13.3475 -13.3473 -13.2050 -13.2049 -10.8416 -10.8413 -9.5780 -9.5770 -9.5622 -9.5594 -8.9062 -8.9013 -2.6965 -2.6955 -2.2237 -2.2216 -1.6892 -1.6888 -1.4414 -1.4413 -0.3558 -0.3541 0.1490 0.1584 1.0387 1.0390 1.0905 1.0950 1.3502 1.3508 2.0098 2.0129 2.2545 2.2603 2.5535 2.5564 3.3288 3.3301 3.3608 3.3655 3.9162 3.9195 4.3414 4.3430 4.6390 4.6432 4.6656 4.6666 11.9513 11.9538 12.1128 12.1241 12.6642 12.6652 13.2380 13.2487 13.3682 13.3713 k =-0.3455 0.5590 0.3592 ( 4298 PWs) bands (ev): -13.3414 -13.3412 -13.2095 -13.2095 -10.8020 -10.8016 -9.6222 -9.6195 -9.5559 -9.5551 -8.9352 -8.9306 -2.6435 -2.6425 -2.2204 -2.2185 -1.7171 -1.7168 -1.4963 -1.4962 -0.2879 -0.2866 0.2212 0.2303 1.0304 1.0306 1.0957 1.0984 1.3200 1.3209 2.0222 2.0254 2.2031 2.2099 2.5503 2.5534 3.3354 3.3358 3.3704 3.3738 3.9421 3.9455 4.3442 4.3457 4.6155 4.6196 4.6447 4.6456 11.9366 11.9393 12.1463 12.1575 12.6652 12.6661 13.2249 13.2358 13.2992 13.3028 k =-0.3455 0.5590 0.3756 ( 4304 PWs) bands (ev): -13.3351 -13.3350 -13.2143 -13.2143 -10.7608 -10.7603 -9.6824 -9.6799 -9.5330 -9.5324 -8.9645 -8.9602 -2.5909 -2.5899 -2.2141 -2.2124 -1.7464 -1.7462 -1.5501 -1.5499 -0.2180 -0.2172 0.2904 0.2994 1.0195 1.0203 1.0871 1.0874 1.3029 1.3062 2.0378 2.0412 2.1503 2.1579 2.5443 2.5475 3.3387 3.3391 3.3811 3.3833 3.9693 3.9726 4.3478 4.3493 4.5907 4.5946 4.6239 4.6246 11.9283 11.9312 12.1837 12.1948 12.6642 12.6649 13.2034 13.2144 13.2313 13.2352 k =-0.3455 0.5590 0.3919 ( 4306 PWs) bands (ev): -13.3288 -13.3287 -13.2193 -13.2192 -10.7180 -10.7175 -9.7428 -9.7404 -9.5093 -9.5089 -8.9943 -8.9903 -2.5390 -2.5380 -2.2048 -2.2033 -1.7771 -1.7769 -1.6026 -1.6023 -0.1462 -0.1460 0.3565 0.3652 1.0067 1.0079 1.0596 1.0617 1.3029 1.3085 2.0565 2.0600 2.0962 2.1047 2.5353 2.5386 3.3413 3.3420 3.3906 3.3920 3.9976 4.0009 4.3524 4.3539 4.5646 4.5684 4.6032 4.6037 11.9267 11.9299 12.2247 12.2358 12.6584 12.6588 13.1684 13.1727 13.1744 13.1849 k =-0.3455 0.5590 0.4082 ( 4314 PWs) bands (ev): -13.3224 -13.3223 -13.2244 -13.2244 -10.6736 -10.6731 -9.8032 -9.8009 -9.4848 -9.4846 -9.0244 -9.0207 -2.4877 -2.4867 -2.1925 -2.1913 -1.8091 -1.8090 -1.6536 -1.6533 -0.0733 -0.0730 0.4192 0.4276 0.9917 0.9934 1.0185 1.0222 1.3169 1.3242 2.0412 2.0505 2.0784 2.0820 2.5231 2.5265 3.3442 3.3450 3.3980 3.3988 4.0270 4.0304 4.3579 4.3594 4.5373 4.5410 4.5828 4.5831 11.9320 11.9354 12.2690 12.2800 12.6441 12.6442 13.1168 13.1208 13.1374 13.1479 k =-0.3455 0.5590 0.4245 ( 4314 PWs) bands (ev): -13.3160 -13.3159 -13.2297 -13.2297 -10.6278 -10.6272 -9.8633 -9.8612 -9.4595 -9.4595 -9.0547 -9.0512 -2.4373 -2.4363 -2.1774 -2.1763 -1.8425 -1.8424 -1.7030 -1.7027 0.0004 0.0013 0.4784 0.4865 0.9683 0.9729 0.9753 0.9774 1.3404 1.3487 1.9859 1.9958 2.1030 2.1067 2.5077 2.5112 3.3478 3.3486 3.4031 3.4035 4.0575 4.0608 4.3645 4.3659 4.5088 4.5125 4.5628 4.5630 11.9444 11.9480 12.3164 12.3273 12.6172 12.6180 13.0800 13.0837 13.0948 13.1048 k =-0.3455 0.5590 0.4409 ( 4311 PWs) bands (ev): -13.3095 -13.3094 -13.2352 -13.2351 -10.5806 -10.5798 -9.9232 -9.9212 -9.4337 -9.4335 -9.0851 -9.0820 -2.3877 -2.3868 -2.1595 -2.1586 -1.8771 -1.8771 -1.7508 -1.7505 0.0750 0.0764 0.5341 0.5418 0.9133 0.9186 0.9558 0.9586 1.3698 1.3790 1.9305 1.9409 2.1302 2.1340 2.4892 2.4928 3.3522 3.3529 3.4059 3.4061 4.0889 4.0922 4.3722 4.3735 4.4794 4.4830 4.5433 4.5433 11.9637 11.9675 12.3665 12.3773 12.5769 12.5785 13.0459 13.0567 13.0619 13.0640 k =-0.3455 0.5590 0.4572 ( 4315 PWs) bands (ev): -13.3031 -13.3029 -13.2408 -13.2408 -10.5319 -10.5311 -9.9827 -9.9808 -9.4072 -9.4068 -9.1156 -9.1127 -2.3391 -2.3382 -2.1388 -2.1381 -1.9131 -1.9130 -1.7968 -1.7965 0.1499 0.1520 0.5861 0.5935 0.8541 0.8596 0.9347 0.9380 1.4036 1.4133 1.8753 1.8862 2.1597 2.1634 2.4676 2.4713 3.3573 3.3578 3.4067 3.4067 4.1211 4.1243 4.3809 4.3822 4.4491 4.4525 4.5242 4.5244 11.9899 11.9939 12.4189 12.4297 12.5251 12.5274 12.9946 13.0048 13.0586 13.0604 k =-0.3455 0.5590 0.4735 ( 4311 PWs) bands (ev): -13.2966 -13.2965 -13.2466 -13.2465 -10.4819 -10.4810 -10.0416 -10.0398 -9.3800 -9.3794 -9.1460 -9.1434 -2.2915 -2.2907 -2.1154 -2.1149 -1.9504 -1.9502 -1.8408 -1.8406 0.2250 0.2277 0.6346 0.6416 0.7919 0.7974 0.9115 0.9152 1.4407 1.4510 1.8208 1.8320 2.1909 2.1947 2.4432 2.4469 3.3630 3.3634 3.4055 3.4056 4.1538 4.1571 4.3907 4.3918 4.4180 4.4213 4.5058 4.5061 12.0229 12.0270 12.4628 12.4683 12.4763 12.4844 12.9400 12.9500 13.0687 13.0700 k =-0.3455 0.5590 0.4899 ( 4303 PWs) bands (ev): -13.2901 -13.2900 -13.2525 -13.2524 -10.4307 -10.4297 -10.0998 -10.0982 -9.3523 -9.3515 -9.1764 -9.1740 -2.2449 -2.2441 -2.0894 -2.0890 -1.9889 -1.9886 -1.8829 -1.8827 0.2999 0.3031 0.6796 0.6862 0.7270 0.7325 0.8861 0.8902 1.4807 1.4914 1.7672 1.7786 2.2235 2.2272 2.4163 2.4200 3.3691 3.3694 3.4027 3.4029 4.1870 4.1902 4.3858 4.3894 4.4016 4.4029 4.4881 4.4886 12.0623 12.0665 12.4016 12.4054 12.5304 12.5406 12.8831 12.8931 13.0885 13.0895 k =-0.3455 0.5590 0.5062 ( 4301 PWs) bands (ev): -13.2836 -13.2835 -13.2586 -13.2585 -10.3782 -10.3771 -10.1574 -10.1559 -9.3240 -9.3230 -9.2065 -9.2045 -2.1994 -2.1987 -2.0610 -2.0608 -2.0285 -2.0282 -1.9230 -1.9228 0.3742 0.3779 0.6597 0.6651 0.7214 0.7276 0.8584 0.8630 1.5233 1.5342 1.7149 1.7264 2.2568 2.2606 2.3870 2.3908 3.3755 3.3756 3.3987 3.3989 4.2204 4.2236 4.3535 4.3569 4.4135 4.4146 4.4713 4.4720 12.1077 12.1120 12.3375 12.3415 12.5881 12.5982 12.8248 12.8348 13.1153 13.1160 k =-0.3455 0.5590 0.5225 ( 4306 PWs) bands (ev): -13.2773 -13.2772 -13.2647 -13.2646 -10.3245 -10.3233 -10.2140 -10.2126 -9.2952 -9.2939 -9.2364 -9.2346 -2.1550 -2.1544 -2.0697 -2.0692 -2.0298 -2.0296 -1.9608 -1.9608 0.4476 0.4519 0.5907 0.5957 0.7599 0.7657 0.8283 0.8332 1.5682 1.5794 1.6642 1.6757 2.2904 2.2941 2.3560 2.3598 3.3819 3.3819 3.3937 3.3939 4.2539 4.2572 4.3206 4.3239 4.4264 4.4274 4.4554 4.4562 12.1587 12.1630 12.2746 12.2788 12.6468 12.6569 12.7656 12.7756 13.1473 13.1478 k =-0.3455 0.5590 0.5388 ( 4302 PWs) bands (ev): -13.2709 -13.2709 -13.2708 -13.2708 -10.2698 -10.2698 -10.2685 -10.2685 -9.2660 -9.2660 -9.2645 -9.2645 -2.1118 -2.1118 -2.1112 -2.1112 -1.9965 -1.9965 -1.9964 -1.9964 0.5199 0.5199 0.5246 0.5246 0.7955 0.7955 0.8009 0.8009 1.6152 1.6152 1.6266 1.6266 2.3236 2.3236 2.3274 2.3274 3.3880 3.3880 3.3881 3.3881 4.2874 4.2874 4.2906 4.2906 4.4404 4.4404 4.4413 4.4413 12.2146 12.2146 12.2189 12.2189 12.7061 12.7061 12.7162 12.7162 13.1832 13.1832 k =-0.3455 0.5590 0.5388 ( 4302 PWs) bands (ev): -13.2709 -13.2709 -13.2708 -13.2708 -10.2698 -10.2698 -10.2685 -10.2685 -9.2660 -9.2660 -9.2645 -9.2645 -2.1118 -2.1118 -2.1112 -2.1112 -1.9965 -1.9965 -1.9964 -1.9964 0.5199 0.5199 0.5246 0.5246 0.7955 0.7955 0.8009 0.8009 1.6152 1.6152 1.6266 1.6266 2.3236 2.3236 2.3274 2.3274 3.3880 3.3880 3.3881 3.3881 4.2874 4.2874 4.2906 4.2906 4.4404 4.4404 4.4413 4.4413 12.2146 12.2146 12.2189 12.2189 12.7061 12.7061 12.7162 12.7162 13.1832 13.1832 k =-0.3541 0.5451 0.5388 ( 4306 PWs) bands (ev): -13.2680 -13.2680 -13.2680 -13.2680 -10.2980 -10.2980 -10.2967 -10.2967 -9.2348 -9.2348 -9.2333 -9.2333 -2.0734 -2.0734 -2.0729 -2.0729 -2.0650 -2.0650 -2.0649 -2.0649 0.5351 0.5351 0.5397 0.5397 0.8024 0.8024 0.8075 0.8075 1.6235 1.6235 1.6347 1.6347 2.3344 2.3344 2.3380 2.3380 3.3790 3.3790 3.3791 3.3791 4.2602 4.2602 4.2635 4.2635 4.4703 4.4703 4.4712 4.4712 12.1711 12.1711 12.1753 12.1753 12.7033 12.7033 12.7129 12.7129 13.2109 13.2109 k =-0.3627 0.5312 0.5388 ( 4312 PWs) bands (ev): -13.2653 -13.2653 -13.2652 -13.2652 -10.3247 -10.3247 -10.3236 -10.3236 -9.2043 -9.2043 -9.2028 -9.2028 -2.1331 -2.1331 -2.1329 -2.1329 -2.0356 -2.0356 -2.0350 -2.0350 0.5485 0.5485 0.5531 0.5531 0.8092 0.8092 0.8139 0.8139 1.6325 1.6325 1.6433 1.6433 2.3460 2.3460 2.3494 2.3494 3.3692 3.3692 3.3694 3.3694 4.2345 4.2345 4.2378 4.2378 4.5006 4.5006 4.5015 4.5015 12.1267 12.1267 12.1307 12.1307 12.6999 12.6999 12.7090 12.7090 13.2405 13.2406 k =-0.3713 0.5173 0.5388 ( 4312 PWs) bands (ev): -13.2627 -13.2627 -13.2626 -13.2626 -10.3500 -10.3500 -10.3489 -10.3489 -9.1745 -9.1745 -9.1731 -9.1731 -2.1978 -2.1978 -2.1975 -2.1975 -2.0007 -2.0007 -2.0002 -2.0002 0.5605 0.5605 0.5649 0.5649 0.8158 0.8158 0.8202 0.8202 1.6419 1.6419 1.6524 1.6524 2.3584 2.3584 2.3616 2.3616 3.3588 3.3588 3.3591 3.3591 4.2104 4.2104 4.2136 4.2136 4.5311 4.5311 4.5319 4.5319 12.0822 12.0822 12.0860 12.0860 12.6965 12.6965 12.7052 12.7052 13.2712 13.2712 k =-0.3798 0.5034 0.5388 ( 4308 PWs) bands (ev): -13.2602 -13.2602 -13.2602 -13.2602 -10.3738 -10.3738 -10.3728 -10.3728 -9.1458 -9.1458 -9.1444 -9.1444 -2.2598 -2.2598 -2.2595 -2.2595 -1.9680 -1.9680 -1.9675 -1.9675 0.5710 0.5710 0.5753 0.5753 0.8222 0.8222 0.8263 0.8263 1.6516 1.6516 1.6617 1.6617 2.3713 2.3713 2.3743 2.3743 3.3478 3.3478 3.3482 3.3482 4.1878 4.1878 4.1910 4.1910 4.5614 4.5614 4.5623 4.5623 12.0384 12.0384 12.0420 12.0420 12.6937 12.6937 12.7018 12.7018 13.3021 13.3021 k =-0.3884 0.4896 0.5388 ( 4304 PWs) bands (ev): -13.2580 -13.2580 -13.2579 -13.2579 -10.3961 -10.3961 -10.3951 -10.3951 -9.1182 -9.1182 -9.1169 -9.1169 -2.3189 -2.3189 -2.3186 -2.3186 -1.9375 -1.9375 -1.9370 -1.9370 0.5801 0.5801 0.5842 0.5842 0.8284 0.8284 0.8322 0.8322 1.6614 1.6614 1.6710 1.6710 2.3846 2.3846 2.3874 2.3874 3.3364 3.3364 3.3369 3.3369 4.1669 4.1669 4.1700 4.1700 4.5914 4.5914 4.5922 4.5922 11.9960 11.9960 11.9994 11.9994 12.6917 12.6917 12.6993 12.6993 13.3327 13.3328 k =-0.3970 0.4757 0.5388 ( 4308 PWs) bands (ev): -13.2558 -13.2558 -13.2558 -13.2558 -10.4168 -10.4168 -10.4159 -10.4159 -9.0918 -9.0918 -9.0906 -9.0906 -2.3748 -2.3748 -2.3744 -2.3744 -1.9092 -1.9092 -1.9087 -1.9087 0.5881 0.5881 0.5920 0.5920 0.8343 0.8343 0.8378 0.8378 1.6711 1.6711 1.6802 1.6802 2.3981 2.3981 2.4007 2.4007 3.3247 3.3247 3.3252 3.3252 4.1476 4.1476 4.1506 4.1506 4.6207 4.6207 4.6215 4.6215 11.9553 11.9553 11.9584 11.9584 12.6910 12.6910 12.6981 12.6981 13.3624 13.3625 k =-0.4056 0.4618 0.5388 ( 4308 PWs) bands (ev): -13.2539 -13.2539 -13.2538 -13.2538 -10.4359 -10.4359 -10.4351 -10.4351 -9.0669 -9.0669 -9.0657 -9.0657 -2.4273 -2.4273 -2.4269 -2.4269 -1.8831 -1.8831 -1.8826 -1.8826 0.5950 0.5950 0.5987 0.5987 0.8399 0.8399 0.8431 0.8431 1.6806 1.6806 1.6891 1.6891 2.4116 2.4116 2.4140 2.4140 3.3129 3.3129 3.3134 3.3134 4.1300 4.1300 4.1328 4.1328 4.6492 4.6492 4.6499 4.6499 11.9167 11.9167 11.9197 11.9197 12.6917 12.6917 12.6983 12.6983 13.3909 13.3909 k =-0.4142 0.4479 0.5388 ( 4308 PWs) bands (ev): -13.2521 -13.2521 -13.2520 -13.2520 -10.4535 -10.4535 -10.4527 -10.4527 -9.0435 -9.0435 -9.0424 -9.0424 -2.4760 -2.4760 -2.4756 -2.4756 -1.8592 -1.8592 -1.8587 -1.8587 0.6009 0.6009 0.6043 0.6043 0.8452 0.8452 0.8481 0.8481 1.6897 1.6897 1.6976 1.6976 2.4249 2.4249 2.4271 2.4271 3.3011 3.3011 3.3015 3.3015 4.1140 4.1140 4.1167 4.1167 4.6763 4.6763 4.6770 4.6770 11.8807 11.8807 11.8834 11.8834 12.6940 12.6940 12.7002 12.7002 13.4177 13.4177 k =-0.4228 0.4340 0.5388 ( 4318 PWs) bands (ev): -13.2504 -13.2504 -13.2504 -13.2504 -10.4694 -10.4694 -10.4687 -10.4687 -9.0219 -9.0219 -9.0209 -9.0209 -2.5209 -2.5209 -2.5205 -2.5205 -1.8376 -1.8376 -1.8372 -1.8372 0.6060 0.6060 0.6091 0.6091 0.8501 0.8501 0.8527 0.8527 1.6983 1.6983 1.7055 1.7055 2.4378 2.4378 2.4398 2.4398 3.2894 3.2894 3.2899 3.2899 4.0997 4.0997 4.1021 4.1021 4.7020 4.7020 4.7026 4.7026 11.8474 11.8474 11.8498 11.8498 12.6980 12.6980 12.7036 12.7036 13.4426 13.4426 k =-0.4313 0.4201 0.5388 ( 4310 PWs) bands (ev): -13.2490 -13.2490 -13.2489 -13.2489 -10.4836 -10.4836 -10.4830 -10.4830 -9.0020 -9.0020 -9.0012 -9.0012 -2.5616 -2.5616 -2.5612 -2.5612 -1.8182 -1.8182 -1.8178 -1.8178 0.6104 0.6104 0.6132 0.6132 0.8546 0.8546 0.8569 0.8569 1.7063 1.7063 1.7128 1.7128 2.4501 2.4501 2.4520 2.4520 3.2782 3.2782 3.2787 3.2787 4.0870 4.0870 4.0892 4.0892 4.7259 4.7259 4.7264 4.7264 11.8171 11.8171 11.8193 11.8193 12.7036 12.7036 12.7086 12.7086 13.4653 13.4654 k =-0.4399 0.4063 0.5388 ( 4310 PWs) bands (ev): -13.2477 -13.2477 -13.2476 -13.2476 -10.4963 -10.4963 -10.4957 -10.4957 -8.9842 -8.9842 -8.9834 -8.9834 -2.5981 -2.5981 -2.5977 -2.5977 -1.8011 -1.8011 -1.8007 -1.8007 0.6140 0.6140 0.6165 0.6165 0.8587 0.8587 0.8607 0.8607 1.7136 1.7136 1.7193 1.7193 2.4617 2.4617 2.4633 2.4633 3.2676 3.2676 3.2681 3.2681 4.0759 4.0759 4.0778 4.0778 4.7476 4.7476 4.7481 4.7481 11.7900 11.7900 11.7919 11.7919 12.7104 12.7104 12.7149 12.7149 13.4857 13.4858 k =-0.4485 0.3924 0.5388 ( 4306 PWs) bands (ev): -13.2466 -13.2466 -13.2465 -13.2465 -10.5072 -10.5072 -10.5068 -10.5068 -8.9685 -8.9685 -8.9678 -8.9678 -2.6300 -2.6300 -2.6297 -2.6297 -1.7863 -1.7863 -1.7859 -1.7859 0.6171 0.6171 0.6192 0.6192 0.8623 0.8623 0.8640 0.8640 1.7201 1.7201 1.7251 1.7251 2.4723 2.4723 2.4737 2.4737 3.2579 3.2579 3.2583 3.2583 4.0663 4.0663 4.0681 4.0681 4.7671 4.7671 4.7675 4.7675 11.7662 11.7662 11.7678 11.7678 12.7182 12.7182 12.7221 12.7221 13.5037 13.5037 k =-0.4571 0.3785 0.5388 ( 4314 PWs) bands (ev): -13.2456 -13.2456 -13.2456 -13.2456 -10.5165 -10.5165 -10.5161 -10.5161 -8.9549 -8.9549 -8.9544 -8.9544 -2.6573 -2.6573 -2.6570 -2.6570 -1.7737 -1.7737 -1.7734 -1.7734 0.6196 0.6196 0.6214 0.6214 0.8654 0.8654 0.8668 0.8668 1.7258 1.7258 1.7300 1.7300 2.4817 2.4817 2.4828 2.4828 3.2492 3.2492 3.2495 3.2495 4.0583 4.0583 4.0598 4.0598 4.7840 4.7840 4.7844 4.7844 11.7458 11.7458 11.7472 11.7472 12.7265 12.7265 12.7298 12.7298 13.5190 13.5191 k =-0.4657 0.3646 0.5388 ( 4320 PWs) bands (ev): -13.2448 -13.2448 -13.2448 -13.2448 -10.5241 -10.5241 -10.5238 -10.5238 -8.9437 -8.9437 -8.9433 -8.9433 -2.6798 -2.6798 -2.6796 -2.6796 -1.7634 -1.7634 -1.7632 -1.7632 0.6216 0.6216 0.6231 0.6231 0.8680 0.8680 0.8692 0.8692 1.7306 1.7306 1.7339 1.7339 2.4897 2.4897 2.4906 2.4906 3.2418 3.2418 3.2420 3.2420 4.0519 4.0519 4.0530 4.0530 4.7981 4.7981 4.7984 4.7984 11.7291 11.7291 11.7302 11.7302 12.7347 12.7347 12.7374 12.7374 13.5317 13.5317 k =-0.4743 0.3507 0.5388 ( 4316 PWs) bands (ev): -13.2442 -13.2442 -13.2442 -13.2442 -10.5301 -10.5301 -10.5298 -10.5298 -8.9349 -8.9349 -8.9345 -8.9345 -2.6975 -2.6975 -2.6973 -2.6973 -1.7554 -1.7554 -1.7552 -1.7552 0.6232 0.6232 0.6243 0.6243 0.8701 0.8701 0.8710 0.8710 1.7344 1.7344 1.7370 1.7370 2.4961 2.4961 2.4968 2.4968 3.2357 3.2357 3.2359 3.2359 4.0469 4.0469 4.0478 4.0478 4.8093 4.8093 4.8095 4.8095 11.7160 11.7160 11.7168 11.7168 12.7421 12.7421 12.7442 12.7442 13.5416 13.5416 k =-0.4828 0.3368 0.5388 ( 4328 PWs) bands (ev): -13.2438 -13.2438 -13.2438 -13.2438 -10.5343 -10.5343 -10.5341 -10.5341 -8.9285 -8.9285 -8.9283 -8.9283 -2.7101 -2.7101 -2.7100 -2.7100 -1.7497 -1.7497 -1.7496 -1.7496 0.6244 0.6244 0.6251 0.6251 0.8717 0.8717 0.8722 0.8722 1.7373 1.7373 1.7390 1.7390 2.5009 2.5009 2.5014 2.5014 3.2313 3.2313 3.2315 3.2315 4.0434 4.0434 4.0440 4.0440 4.8174 4.8174 4.8176 4.8176 11.7067 11.7067 11.7072 11.7072 12.7481 12.7481 12.7495 12.7495 13.5487 13.5487 k =-0.4914 0.3229 0.5388 ( 4324 PWs) bands (ev): -13.2435 -13.2435 -13.2435 -13.2435 -10.5368 -10.5368 -10.5367 -10.5367 -8.9247 -8.9247 -8.9245 -8.9245 -2.7177 -2.7177 -2.7177 -2.7177 -1.7462 -1.7462 -1.7462 -1.7462 0.6251 0.6251 0.6255 0.6255 0.8726 0.8726 0.8729 0.8729 1.7392 1.7392 1.7401 1.7401 2.5038 2.5038 2.5041 2.5041 3.2287 3.2287 3.2287 3.2287 4.0414 4.0414 4.0417 4.0417 4.8223 4.8223 4.8224 4.8224 11.7011 11.7011 11.7014 11.7014 12.7522 12.7522 12.7529 12.7529 13.5530 13.5530 k =-0.5000 0.3091 0.5388 ( 4328 PWs) bands (ev): -13.2434 -13.2434 -13.2434 -13.2434 -10.5376 -10.5376 -10.5376 -10.5376 -8.9233 -8.9233 -8.9233 -8.9233 -2.7202 -2.7202 -2.7202 -2.7202 -1.7450 -1.7450 -1.7450 -1.7450 0.6255 0.6255 0.6255 0.6255 0.8731 0.8731 0.8731 0.8731 1.7402 1.7402 1.7402 1.7402 2.5049 2.5049 2.5049 2.5049 3.2278 3.2278 3.2278 3.2278 4.0408 4.0408 4.0408 4.0408 4.8240 4.8240 4.8240 4.8240 11.6993 11.6993 11.6993 11.6993 12.7538 12.7538 12.7538 12.7538 13.5544 13.5544 k =-0.5000 0.3091 0.5388 ( 4328 PWs) bands (ev): -13.2434 -13.2434 -13.2434 -13.2434 -10.5376 -10.5376 -10.5376 -10.5376 -8.9233 -8.9233 -8.9233 -8.9233 -2.7202 -2.7202 -2.7202 -2.7202 -1.7450 -1.7450 -1.7450 -1.7450 0.6255 0.6255 0.6255 0.6255 0.8731 0.8731 0.8731 0.8731 1.7402 1.7402 1.7402 1.7402 2.5049 2.5049 2.5049 2.5049 3.2278 3.2278 3.2278 3.2278 4.0408 4.0408 4.0408 4.0408 4.8240 4.8240 4.8240 4.8240 11.6993 11.6993 11.6993 11.6993 12.7538 12.7538 12.7538 12.7538 13.5544 13.5544 k =-0.5000 0.3091 0.5225 ( 4336 PWs) bands (ev): -13.2486 -13.2486 -13.2383 -13.2383 -10.5949 -10.5949 -10.4792 -10.4792 -8.9274 -8.9274 -8.9195 -8.9195 -2.7230 -2.7230 -2.7143 -2.7143 -1.7900 -1.7900 -1.7028 -1.7028 0.5376 0.5376 0.7134 0.7134 0.8675 0.8675 0.8765 0.8765 1.7144 1.7144 1.7686 1.7686 2.4999 2.4999 2.5078 2.5078 3.2147 3.2147 3.2383 3.2383 4.0113 4.0113 4.0709 4.0709 4.8241 4.8241 4.8248 4.8248 11.6961 11.6961 11.7107 11.7107 12.7506 12.7506 12.7536 12.7536 13.5098 13.5098 k =-0.5000 0.3091 0.5062 ( 4336 PWs) bands (ev): -13.2539 -13.2539 -13.2332 -13.2332 -10.6509 -10.6509 -10.4198 -10.4198 -8.9316 -8.9316 -8.9158 -8.9158 -2.7227 -2.7227 -2.7052 -2.7052 -1.8378 -1.8378 -1.6632 -1.6632 0.4505 0.4505 0.8001 0.8001 0.8597 0.8597 0.8779 0.8779 1.6922 1.6922 1.7990 1.7990 2.4928 2.4928 2.5088 2.5088 3.1988 3.1988 3.2465 3.2465 3.9827 3.9827 4.1015 4.1015 4.8252 4.8252 4.8264 4.8264 11.7007 11.7007 11.7302 11.7302 12.7444 12.7444 12.7496 12.7496 13.4647 13.4647 k =-0.5000 0.3091 0.4899 ( 4332 PWs) bands (ev): -13.2591 -13.2591 -13.2282 -13.2282 -10.7057 -10.7057 -10.3594 -10.3594 -8.9359 -8.9359 -8.9124 -8.9124 -2.7192 -2.7192 -2.6930 -2.6930 -1.8885 -1.8885 -1.6261 -1.6261 0.3652 0.3652 0.8495 0.8495 0.8772 0.8772 0.8842 0.8842 1.6749 1.6749 1.8309 1.8309 2.4836 2.4836 2.5077 2.5077 3.1802 3.1802 3.2527 3.2527 3.9550 3.9550 4.1321 4.1321 4.8272 4.8272 4.8288 4.8288 11.7129 11.7129 11.7580 11.7580 12.7358 12.7358 12.7415 12.7415 13.4196 13.4196 k =-0.5000 0.3091 0.4735 ( 4332 PWs) bands (ev): -13.2644 -13.2644 -13.2234 -13.2234 -10.7592 -10.7592 -10.2981 -10.2981 -8.9404 -8.9404 -8.9091 -8.9091 -2.7126 -2.7126 -2.6778 -2.6778 -1.9421 -1.9421 -1.5914 -1.5914 0.2820 0.2820 0.8370 0.8370 0.8747 0.8747 0.9629 0.9629 1.6643 1.6643 1.8641 1.8641 2.4724 2.4724 2.5048 2.5048 3.1588 3.1588 3.2571 3.2571 3.9285 3.9285 4.1627 4.1627 4.8303 4.8303 4.8320 4.8320 11.7323 11.7323 11.7939 11.7939 12.7252 12.7252 12.7292 12.7292 13.3750 13.3750 k =-0.5000 0.3091 0.4572 ( 4332 PWs) bands (ev): -13.2697 -13.2697 -13.2186 -13.2186 -10.8113 -10.8113 -10.2361 -10.2361 -8.9451 -8.9451 -8.9061 -8.9061 -2.7028 -2.7028 -2.6595 -2.6595 -1.9987 -1.9987 -1.5590 -1.5590 0.2016 0.2016 0.8218 0.8218 0.8700 0.8700 1.0337 1.0337 1.6630 1.6630 1.8981 1.8981 2.4593 2.4593 2.5002 2.5002 3.1350 3.1350 3.2602 3.2602 3.9032 3.9032 4.1928 4.1928 4.8344 4.8344 4.8359 4.8359 11.7584 11.7584 11.8380 11.8380 12.7119 12.7119 12.7140 12.7140 13.3315 13.3315 k =-0.5000 0.3091 0.4409 ( 4334 PWs) bands (ev): -13.2750 -13.2750 -13.2139 -13.2139 -10.8620 -10.8620 -10.1734 -10.1734 -8.9498 -8.9498 -8.9032 -8.9032 -2.6900 -2.6900 -2.6382 -2.6382 -2.0582 -2.0582 -1.5286 -1.5286 0.1243 0.1243 0.8037 0.8037 0.8632 0.8632 1.0933 1.0933 1.6740 1.6740 1.9328 1.9328 2.4442 2.4442 2.4941 2.4941 3.1089 3.1089 3.2621 3.2621 3.8790 3.8790 4.2223 4.2223 4.8395 4.8395 4.8404 4.8404 11.7907 11.7907 11.8900 11.8900 12.6918 12.6918 12.7007 12.7007 13.2896 13.2896 k =-0.5000 0.3091 0.4245 ( 4328 PWs) bands (ev): -13.2803 -13.2803 -13.2093 -13.2093 -10.9112 -10.9112 -10.1101 -10.1101 -8.9546 -8.9546 -8.9006 -8.9006 -2.6740 -2.6740 -2.6141 -2.6141 -2.1205 -2.1205 -1.5003 -1.5003 0.0504 0.0504 0.7828 0.7828 0.8543 0.8543 1.1384 1.1384 1.7000 1.7000 1.9680 1.9680 2.4273 2.4273 2.4868 2.4868 3.0810 3.0810 3.2633 3.2633 3.8559 3.8559 4.2509 4.2509 4.8451 4.8451 4.8462 4.8462 11.8285 11.8285 11.9497 11.9497 12.6676 12.6676 12.6872 12.6872 13.2499 13.2499 k =-0.5000 0.3091 0.4082 ( 4320 PWs) bands (ev): -13.2856 -13.2856 -13.2049 -13.2049 -10.9588 -10.9588 -10.0465 -10.0465 -8.9596 -8.9596 -8.8982 -8.8982 -2.6551 -2.6551 -2.5871 -2.5871 -2.1856 -2.1856 -1.4738 -1.4738 -0.0199 -0.0199 0.7586 0.7586 0.8431 0.8431 1.1680 1.1680 1.7418 1.7418 2.0034 2.0034 2.4086 2.4086 2.4786 2.4786 3.0518 3.0518 3.2638 3.2638 3.8338 3.8338 4.2785 4.2785 4.8508 4.8508 4.8535 4.8535 11.8708 11.8708 12.0168 12.0168 12.6404 12.6404 12.6737 12.6737 13.2133 13.2133 k =-0.5000 0.3091 0.3919 ( 4320 PWs) bands (ev): -13.2907 -13.2907 -13.2006 -13.2006 -11.0048 -11.0048 -9.9825 -9.9825 -8.9645 -8.9645 -8.8960 -8.8960 -2.6332 -2.6332 -2.5573 -2.5573 -2.2531 -2.2531 -1.4491 -1.4491 -0.0865 -0.0865 0.7312 0.7312 0.8294 0.8294 1.1834 1.1834 1.7978 1.7978 2.0390 2.0390 2.3885 2.3885 2.4697 2.4697 3.0217 3.0217 3.2640 3.2640 3.8126 3.8126 4.3050 4.3050 4.8568 4.8568 4.8621 4.8621 11.9169 11.9169 12.0909 12.0909 12.6105 12.6105 12.6604 12.6604 13.1804 13.1804 k =-0.5000 0.3091 0.3756 ( 4322 PWs) bands (ev): -13.2959 -13.2959 -13.1965 -13.1965 -11.0493 -11.0493 -9.9184 -9.9184 -8.9695 -8.9695 -8.8940 -8.8940 -2.6084 -2.6084 -2.5249 -2.5249 -2.3228 -2.3228 -1.4261 -1.4261 -0.1493 -0.1493 0.7004 0.7004 0.8132 0.8132 1.1875 1.1875 1.8646 1.8646 2.0745 2.0745 2.3669 2.3669 2.4605 2.4605 2.9912 2.9912 3.2639 3.2639 3.7921 3.7921 4.3301 4.3301 4.8632 4.8632 4.8719 4.8719 11.9654 11.9654 12.1716 12.1716 12.5787 12.5787 12.6476 12.6476 13.1522 13.1522 k =-0.5000 0.3091 0.3592 ( 4318 PWs) bands (ev): -13.3009 -13.3009 -13.1925 -13.1925 -11.0921 -11.0921 -9.8543 -9.8543 -8.9745 -8.9745 -8.8921 -8.8921 -2.5808 -2.5808 -2.4899 -2.4899 -2.3945 -2.3945 -1.4047 -1.4047 -0.2083 -0.2083 0.6661 0.6661 0.7943 0.7943 1.1838 1.1838 1.9384 1.9384 2.1098 2.1098 2.3442 2.3442 2.4514 2.4514 2.9608 2.9608 3.2636 3.2636 3.7722 3.7722 4.3538 4.3538 4.8699 4.8699 4.8827 4.8827 12.0152 12.0152 12.2584 12.2584 12.5454 12.5454 12.6357 12.6357 13.1297 13.1297 k =-0.5000 0.3091 0.3429 ( 4308 PWs) bands (ev): -13.3058 -13.3058 -13.1887 -13.1887 -11.1332 -11.1332 -9.7904 -9.7904 -8.9795 -8.9795 -8.8905 -8.8905 -2.5505 -2.5505 -2.4679 -2.4679 -2.4523 -2.4523 -1.3848 -1.3848 -0.2634 -0.2634 0.6283 0.6283 0.7725 0.7725 1.1749 1.1749 2.0163 2.0163 2.1449 2.1449 2.3207 2.3207 2.4426 2.4426 2.9309 2.9309 3.2633 3.2633 3.7529 3.7529 4.3760 4.3760 4.8769 4.8769 4.8948 4.8948 12.0646 12.0646 12.3508 12.3508 12.5112 12.5112 12.6249 12.6249 13.1140 13.1140 k =-0.5000 0.3091 0.3266 ( 4310 PWs) bands (ev): -13.3107 -13.3107 -13.1850 -13.1850 -11.1725 -11.1725 -9.7268 -9.7268 -8.9845 -8.9845 -8.8891 -8.8891 -2.5424 -2.5424 -2.5175 -2.5175 -2.4126 -2.4126 -1.3662 -1.3662 -0.3148 -0.3148 0.5870 0.5870 0.7477 0.7477 1.1628 1.1628 2.0960 2.0960 2.1795 2.1795 2.2966 2.2966 2.4345 2.4345 2.9018 2.9018 3.2630 3.2630 3.7341 3.7341 4.3967 4.3967 4.8841 4.8841 4.9078 4.9078 12.1121 12.1121 12.4481 12.4481 12.4767 12.4767 12.6155 12.6155 13.1063 13.1063 k =-0.5000 0.3091 0.3102 ( 4318 PWs) bands (ev): -13.3154 -13.3154 -13.1815 -13.1815 -11.2101 -11.2101 -9.6638 -9.6638 -8.9894 -8.9894 -8.8878 -8.8878 -2.6176 -2.6176 -2.4821 -2.4821 -2.3707 -2.3707 -1.3491 -1.3491 -0.3625 -0.3625 0.5423 0.5423 0.7199 0.7199 1.1486 1.1486 2.1755 2.1755 2.2140 2.2140 2.2724 2.2724 2.4272 2.4272 2.8739 2.8739 3.2626 3.2626 3.7158 3.7158 4.4159 4.4159 4.8914 4.8914 4.9220 4.9220 12.1561 12.1561 12.4418 12.4418 12.5500 12.5500 12.6076 12.6076 13.1078 13.1078 k =-0.5000 0.3091 0.2939 ( 4322 PWs) bands (ev): -13.3199 -13.3199 -13.1781 -13.1781 -11.2460 -11.2460 -9.6016 -9.6016 -8.9942 -8.9942 -8.8866 -8.8866 -2.6932 -2.6932 -2.4443 -2.4443 -2.3268 -2.3268 -1.3331 -1.3331 -0.4067 -0.4067 0.4943 0.4943 0.6889 0.6889 1.1334 1.1334 2.2425 2.2425 2.2484 2.2484 2.2592 2.2592 2.4209 2.4209 2.8472 2.8472 3.2621 3.2621 3.6979 3.6979 4.4335 4.4335 4.8987 4.8987 4.9371 4.9371 12.1949 12.1949 12.4074 12.4074 12.6013 12.6013 12.6555 12.6555 13.1194 13.1194 k =-0.5000 0.3091 0.2776 ( 4314 PWs) bands (ev): -13.3243 -13.3243 -13.1750 -13.1750 -11.2800 -11.2800 -9.5404 -9.5404 -8.9989 -8.9989 -8.8857 -8.8857 -2.7687 -2.7687 -2.4042 -2.4042 -2.2810 -2.2810 -1.3184 -1.3184 -0.4476 -0.4476 0.4432 0.4432 0.6548 0.6548 1.1178 1.1178 2.2247 2.2247 2.2777 2.2777 2.3338 2.3338 2.4159 2.4159 2.8220 2.8220 3.2617 3.2617 3.6804 3.6804 4.4496 4.4496 4.9061 4.9061 4.9530 4.9530 12.2275 12.2275 12.3737 12.3737 12.5973 12.5973 12.7633 12.7633 13.1416 13.1416 k =-0.5000 0.3091 0.2613 ( 4312 PWs) bands (ev): -13.3285 -13.3285 -13.1720 -13.1720 -11.3122 -11.3122 -9.4803 -9.4803 -9.0035 -9.0035 -8.8848 -8.8848 -2.8435 -2.8435 -2.3622 -2.3622 -2.2337 -2.2337 -1.3048 -1.3048 -0.4852 -0.4852 0.3894 0.3894 0.6176 0.6176 1.1020 1.1020 2.2022 2.2022 2.3093 2.3093 2.4082 2.4082 2.4121 2.4121 2.7983 2.7983 3.2611 3.2611 3.6634 3.6634 4.4642 4.4642 4.9135 4.9135 4.9698 4.9698 12.2533 12.2533 12.3410 12.3410 12.5953 12.5953 12.8727 12.8727 13.1744 13.1744 k =-0.5000 0.3091 0.2449 ( 4312 PWs) bands (ev): -13.3326 -13.3326 -13.1692 -13.1692 -11.3426 -11.3426 -9.4218 -9.4218 -9.0079 -9.0079 -8.8841 -8.8841 -2.9172 -2.9172 -2.3183 -2.3183 -2.1849 -2.1849 -1.2923 -1.2923 -0.5197 -0.5197 0.3332 0.3332 0.5776 0.5776 1.0866 1.0866 2.1808 2.1808 2.3395 2.3395 2.4095 2.4095 2.4799 2.4799 2.7762 2.7762 3.2605 3.2605 3.6470 3.6470 4.4773 4.4773 4.9207 4.9207 4.9872 4.9872 12.2724 12.2724 12.3095 12.3095 12.5955 12.5955 12.9824 12.9824 13.2169 13.2169 k =-0.5000 0.3091 0.2286 ( 4308 PWs) bands (ev): -13.3365 -13.3365 -13.1665 -13.1665 -11.3710 -11.3710 -9.3650 -9.3650 -9.0122 -9.0122 -8.8835 -8.8835 -2.9893 -2.9893 -2.2729 -2.2729 -2.1351 -2.1351 -1.2808 -1.2808 -0.5513 -0.5513 0.2749 0.2749 0.5349 0.5349 1.0716 1.0716 2.1609 2.1609 2.3684 2.3684 2.4083 2.4083 2.5480 2.5480 2.7556 2.7556 3.2597 3.2597 3.6311 3.6311 4.4891 4.4891 4.9277 4.9277 5.0050 5.0050 12.2775 12.2775 12.2875 12.2875 12.5982 12.5982 13.0907 13.0907 13.2677 13.2677 k =-0.5000 0.3091 0.2123 ( 4302 PWs) bands (ev): -13.3401 -13.3401 -13.1641 -13.1641 -11.3976 -11.3976 -9.3102 -9.3102 -9.0162 -9.0162 -8.8830 -8.8830 -3.0593 -3.0593 -2.2261 -2.2261 -2.0846 -2.0846 -1.2703 -1.2703 -0.5800 -0.5800 0.2151 0.2151 0.4899 0.4899 1.0573 1.0573 2.1426 2.1426 2.3957 2.3957 2.4083 2.4083 2.6124 2.6124 2.7365 2.7365 3.2589 3.2589 3.6158 3.6158 4.4995 4.4995 4.9346 4.9346 5.0232 5.0232 12.2498 12.2498 12.2947 12.2947 12.6034 12.6034 13.1957 13.1957 13.3248 13.3248 k =-0.5000 0.3091 0.1959 ( 4304 PWs) bands (ev): -13.3435 -13.3435 -13.1618 -13.1618 -11.4223 -11.4223 -9.2577 -9.2577 -9.0201 -9.0201 -8.8826 -8.8826 -3.1266 -3.1266 -2.1784 -2.1784 -2.0336 -2.0336 -1.2608 -1.2608 -0.6062 -0.6062 0.1542 0.1542 0.4431 0.4431 1.0438 1.0438 2.1260 2.1260 2.4086 2.4086 2.4224 2.4224 2.6725 2.6725 2.7190 2.7190 3.2579 3.2579 3.6013 3.6013 4.5087 4.5087 4.9411 4.9411 5.0414 5.0414 12.2228 12.2228 12.2992 12.2992 12.6111 12.6111 13.2949 13.2949 13.3380 13.3380 k =-0.5000 0.3091 0.1796 ( 4302 PWs) bands (ev): -13.3467 -13.3467 -13.1597 -13.1597 -11.4451 -11.4451 -9.2079 -9.2079 -9.0237 -9.0237 -8.8822 -8.8822 -3.1909 -3.1909 -2.1301 -2.1301 -1.9826 -1.9826 -1.2521 -1.2521 -0.6298 -0.6298 0.0929 0.0929 0.3950 0.3950 1.0311 1.0311 2.1113 2.1113 2.4105 2.4105 2.4466 2.4466 2.7027 2.7027 2.7286 2.7286 3.2568 3.2568 3.5876 3.5876 4.5167 4.5167 4.9474 4.9474 5.0595 5.0595 12.1975 12.1975 12.3009 12.3009 12.6216 12.6216 13.3135 13.3135 13.3856 13.3856 k =-0.5000 0.3091 0.1633 ( 4298 PWs) bands (ev): -13.3497 -13.3497 -13.1578 -13.1578 -11.4659 -11.4659 -9.1610 -9.1610 -9.0270 -9.0270 -8.8819 -8.8819 -3.2515 -3.2515 -2.0816 -2.0816 -1.9322 -1.9322 -1.2444 -1.2444 -0.6510 -0.6510 0.0318 0.0318 0.3463 0.3463 1.0194 1.0194 2.0983 2.0983 2.4131 2.4131 2.4693 2.4693 2.6881 2.6881 2.7799 2.7799 3.2556 3.2556 3.5747 3.5747 4.5236 4.5236 4.9532 4.9532 5.0772 5.0772 12.1741 12.1741 12.3006 12.3006 12.6346 12.6346 13.2896 13.2896 13.4647 13.4647 k =-0.5000 0.3091 0.1470 ( 4302 PWs) bands (ev): -13.3524 -13.3524 -13.1561 -13.1561 -11.4848 -11.4848 -9.1173 -9.1173 -9.0301 -9.0301 -8.8817 -8.8817 -3.3080 -3.3080 -2.0336 -2.0336 -1.8828 -1.8828 -1.2374 -1.2374 -0.6698 -0.6698 -0.0284 -0.0284 0.2977 0.2977 1.0086 1.0086 2.0871 2.0871 2.4161 2.4161 2.4902 2.4902 2.6749 2.6749 2.8265 2.8265 3.2544 3.2544 3.5628 3.5628 4.5295 4.5295 4.9587 4.9587 5.0943 5.0943 12.1526 12.1526 12.2992 12.2992 12.6504 12.6504 13.2666 13.2666 13.5304 13.5304 k =-0.5000 0.3091 0.1306 ( 4294 PWs) bands (ev): -13.3548 -13.3548 -13.1545 -13.1545 -11.5017 -11.5017 -9.0772 -9.0772 -9.0329 -9.0329 -8.8816 -8.8816 -3.3600 -3.3600 -1.9865 -1.9865 -1.8350 -1.8350 -1.2313 -1.2313 -0.6865 -0.6865 -0.0868 -0.0868 0.2500 0.2500 0.9989 0.9989 2.0775 2.0775 2.4195 2.4195 2.5091 2.5091 2.6630 2.6630 2.8684 2.8684 3.2531 3.2531 3.5519 3.5519 4.5346 4.5346 4.9637 4.9637 5.1106 5.1106 12.1332 12.1332 12.2970 12.2970 12.6686 12.6686 13.2449 13.2449 13.5225 13.5225 k =-0.5000 0.3091 0.1143 ( 4294 PWs) bands (ev): -13.3570 -13.3570 -13.1531 -13.1531 -11.5167 -11.5167 -9.0410 -9.0410 -9.0353 -9.0353 -8.8814 -8.8814 -3.4070 -3.4070 -1.9413 -1.9413 -1.7897 -1.7897 -1.2260 -1.2260 -0.7010 -0.7010 -0.1425 -0.1425 0.2041 0.2041 0.9903 0.9903 2.0694 2.0694 2.4230 2.4230 2.5261 2.5261 2.6526 2.6526 2.9054 2.9054 3.2518 3.2518 3.5420 3.5420 4.5388 4.5388 4.9682 4.9682 5.1256 5.1256 12.1160 12.1160 12.2945 12.2945 12.6893 12.6893 13.2249 13.2249 13.4616 13.4616 k =-0.5000 0.3091 0.0980 ( 4282 PWs) bands (ev): -13.3589 -13.3589 -13.1520 -13.1520 -11.5296 -11.5296 -9.0377 -9.0377 -9.0087 -9.0087 -8.8813 -8.8813 -3.4487 -3.4487 -1.8987 -1.8987 -1.7476 -1.7476 -1.2214 -1.2214 -0.7134 -0.7134 -0.1945 -0.1945 0.1611 0.1611 0.9827 0.9827 2.0628 2.0628 2.4265 2.4265 2.5409 2.5409 2.6435 2.6435 2.9375 2.9375 3.2505 3.2505 3.5334 3.5334 4.5422 4.5422 4.9721 4.9721 5.1393 5.1393 12.1009 12.1009 12.2920 12.2920 12.7120 12.7120 13.2068 13.2068 13.4030 13.4030 k =-0.5000 0.3091 0.0816 ( 4268 PWs) bands (ev): -13.3605 -13.3605 -13.1509 -13.1509 -11.5406 -11.5406 -9.0395 -9.0395 -8.9810 -8.9810 -8.8813 -8.8813 -3.4846 -3.4846 -1.8597 -1.8597 -1.7097 -1.7097 -1.2175 -1.2175 -0.7239 -0.7239 -0.2417 -0.2417 0.1221 0.1221 0.9763 0.9763 2.0574 2.0574 2.4298 2.4298 2.5536 2.5536 2.6358 2.6358 2.9648 2.9648 3.2493 3.2493 3.5260 3.5260 4.5450 4.5450 4.9755 4.9755 5.1513 5.1513 12.0881 12.0881 12.2897 12.2897 12.7361 12.7361 13.1910 13.1910 13.3478 13.3478 k =-0.5000 0.3091 0.0653 ( 4270 PWs) bands (ev): -13.3619 -13.3619 -13.1501 -13.1501 -11.5496 -11.5496 -9.0411 -9.0411 -8.9580 -8.9580 -8.8812 -8.8812 -3.5144 -3.5144 -1.8255 -1.8255 -1.6768 -1.6768 -1.2144 -1.2144 -0.7323 -0.7323 -0.2828 -0.2828 0.0881 0.0881 0.9711 0.9711 2.0533 2.0533 2.4327 2.4327 2.5641 2.5641 2.6295 2.6295 2.9870 2.9870 3.2483 3.2483 3.5198 3.5198 4.5472 4.5472 4.9783 4.9783 5.1615 5.1615 12.0776 12.0776 12.2877 12.2877 12.7609 12.7609 13.1777 13.1777 13.2972 13.2972 k =-0.5000 0.3091 0.0490 ( 4270 PWs) bands (ev): -13.3629 -13.3629 -13.1495 -13.1495 -11.5566 -11.5566 -9.0423 -9.0423 -8.9399 -8.9399 -8.8812 -8.8812 -3.5380 -3.5380 -1.7972 -1.7972 -1.6499 -1.6499 -1.2120 -1.2120 -0.7389 -0.7389 -0.3165 -0.3165 0.0602 0.0602 0.9670 0.9670 2.0501 2.0501 2.4352 2.4352 2.5723 2.5723 2.6246 2.6246 3.0043 3.0043 3.2474 3.2474 3.5150 3.5150 4.5489 4.5489 4.9805 4.9805 5.1696 5.1696 12.0693 12.0693 12.2861 12.2861 12.7847 12.7847 13.1669 13.1669 13.2531 13.2531 k =-0.5000 0.3091 0.0327 ( 4278 PWs) bands (ev): -13.3637 -13.3637 -13.1490 -13.1490 -11.5617 -11.5617 -9.0432 -9.0432 -8.9268 -8.9268 -8.8811 -8.8811 -3.5550 -3.5550 -1.7760 -1.7760 -1.6300 -1.6300 -1.2103 -1.2103 -0.7435 -0.7435 -0.3416 -0.3416 0.0395 0.0395 0.9640 0.9640 2.0479 2.0479 2.4370 2.4370 2.5782 2.5782 2.6211 2.6211 3.0167 3.0167 3.2468 3.2468 3.5115 3.5115 4.5500 4.5500 4.9821 4.9821 5.1755 5.1755 12.0634 12.0634 12.2849 12.2849 12.8055 12.8055 13.1588 13.1588 13.2179 13.2179 k =-0.5000 0.3091 0.0163 ( 4288 PWs) bands (ev): -13.3641 -13.3641 -13.1488 -13.1488 -11.5647 -11.5647 -9.0437 -9.0437 -8.9189 -8.9189 -8.8811 -8.8811 -3.5652 -3.5652 -1.7628 -1.7628 -1.6177 -1.6177 -1.2092 -1.2092 -0.7463 -0.7463 -0.3572 -0.3572 0.0267 0.0267 0.9623 0.9623 2.0467 2.0467 2.4381 2.4381 2.5817 2.5817 2.6190 2.6190 3.0241 3.0241 3.2464 3.2464 3.5094 3.5094 4.5507 4.5507 4.9831 4.9831 5.1791 5.1791 12.0599 12.0599 12.2841 12.2841 12.8202 12.8202 13.1535 13.1535 13.1951 13.1951 k =-0.5000 0.3091 0.0000 ( 4290 PWs) bands (ev): -13.3643 -13.3643 -13.1487 -13.1487 -11.5657 -11.5657 -9.0439 -9.0439 -8.9163 -8.9163 -8.8811 -8.8811 -3.5686 -3.5686 -1.7583 -1.7583 -1.6136 -1.6136 -1.2089 -1.2089 -0.7473 -0.7473 -0.3625 -0.3625 0.0224 0.0224 0.9617 0.9617 2.0462 2.0462 2.4385 2.4385 2.5829 2.5829 2.6183 2.6183 3.0266 3.0266 3.2463 3.2463 3.5087 3.5087 4.5509 4.5509 4.9834 4.9834 5.1803 5.1803 12.0587 12.0587 12.2839 12.2839 12.8256 12.8256 13.1515 13.1515 13.1872 13.1872 k = 0.0000 0.0000 0.5388 ( 4316 PWs) bands (ev): -13.3961 -13.3961 -13.3961 -13.3961 -10.1049 -10.1049 -10.1049 -10.1049 -8.9240 -8.9240 -8.9240 -8.9240 -4.0095 -4.0095 -4.0095 -4.0095 -0.4516 -0.4516 -0.4516 -0.4516 -0.1520 -0.1520 -0.1520 -0.1520 0.7465 0.7465 0.7465 0.7465 1.9055 1.9055 1.9055 1.9055 2.6580 2.6580 2.6580 2.6580 3.6568 3.6568 3.6568 3.6568 4.0526 4.0526 4.0526 4.0526 5.2999 5.2999 5.2999 5.2999 11.4598 11.4598 11.4598 11.4598 12.0954 12.0954 12.0954 12.0954 12.9842 12.9842 k =-0.0139 0.0086 0.5388 ( 4306 PWs) bands (ev): -13.3958 -13.3958 -13.3958 -13.3958 -10.1058 -10.1058 -10.1057 -10.1057 -8.9240 -8.9240 -8.9239 -8.9239 -4.0080 -4.0080 -4.0077 -4.0077 -0.4555 -0.4555 -0.4550 -0.4550 -0.1491 -0.1491 -0.1486 -0.1486 0.7475 0.7475 0.7477 0.7477 1.9032 1.9032 1.9034 1.9034 2.6595 2.6595 2.6598 2.6598 3.6561 3.6561 3.6563 3.6563 4.0511 4.0511 4.0512 4.0512 5.2997 5.2997 5.2997 5.2997 11.4595 11.4595 11.4598 11.4598 12.0973 12.0973 12.0980 12.0980 12.9847 12.9848 k =-0.0278 0.0172 0.5388 ( 4310 PWs) bands (ev): -13.3950 -13.3950 -13.3950 -13.3950 -10.1084 -10.1084 -10.1083 -10.1083 -8.9239 -8.9239 -8.9236 -8.9236 -4.0031 -4.0031 -4.0025 -4.0025 -0.4664 -0.4664 -0.4656 -0.4656 -0.1402 -0.1402 -0.1392 -0.1392 0.7510 0.7510 0.7513 0.7513 1.8966 1.8966 1.8970 1.8970 2.6642 2.6642 2.6647 2.6647 3.6541 3.6541 3.6544 3.6544 4.0465 4.0465 4.0467 4.0467 5.2991 5.2991 5.2992 5.2992 11.4590 11.4590 11.4596 11.4596 12.1035 12.1035 12.1049 12.1049 12.9864 12.9864 k =-0.0417 0.0258 0.5388 ( 4296 PWs) bands (ev): -13.3937 -13.3937 -13.3936 -13.3936 -10.1128 -10.1128 -10.1127 -10.1127 -8.9237 -8.9237 -8.9233 -8.9233 -3.9949 -3.9949 -3.9941 -3.9941 -0.4832 -0.4832 -0.4821 -0.4821 -0.1262 -0.1262 -0.1248 -0.1248 0.7567 0.7567 0.7571 0.7571 1.8857 1.8857 1.8864 1.8864 2.6717 2.6717 2.6725 2.6725 3.6507 3.6507 3.6512 3.6512 4.0391 4.0391 4.0394 4.0394 5.2982 5.2982 5.2983 5.2983 11.4584 11.4584 11.4593 11.4593 12.1138 12.1138 12.1159 12.1159 12.9891 12.9892 k =-0.0556 0.0343 0.5388 ( 4308 PWs) bands (ev): -13.3919 -13.3919 -13.3918 -13.3918 -10.1189 -10.1189 -10.1187 -10.1187 -8.9234 -8.9234 -8.9228 -8.9228 -3.9833 -3.9833 -3.9823 -3.9823 -0.5049 -0.5049 -0.5036 -0.5036 -0.1084 -0.1084 -0.1067 -0.1067 0.7646 0.7646 0.7652 0.7652 1.8710 1.8710 1.8719 1.8719 2.6820 2.6820 2.6829 2.6829 3.6461 3.6461 3.6467 3.6467 4.0290 4.0290 4.0295 4.0295 5.2967 5.2967 5.2968 5.2968 11.4579 11.4579 11.4591 11.4591 12.1281 12.1281 12.1309 12.1309 12.9930 12.9930 k =-0.0694 0.0429 0.5388 ( 4308 PWs) bands (ev): -13.3896 -13.3896 -13.3894 -13.3894 -10.1266 -10.1266 -10.1264 -10.1264 -8.9230 -8.9230 -8.9223 -8.9223 -3.9686 -3.9686 -3.9673 -3.9673 -0.5304 -0.5304 -0.5289 -0.5289 -0.0877 -0.0877 -0.0858 -0.0858 0.7747 0.7747 0.7755 0.7755 1.8527 1.8527 1.8538 1.8538 2.6944 2.6944 2.6956 2.6956 3.6401 3.6401 3.6409 3.6409 4.0166 4.0166 4.0172 4.0172 5.2945 5.2945 5.2946 5.2946 11.4577 11.4577 11.4591 11.4591 12.1459 12.1459 12.1494 12.1494 12.9979 12.9979 k =-0.0833 0.0515 0.5388 ( 4306 PWs) bands (ev): -13.3867 -13.3867 -13.3866 -13.3866 -10.1359 -10.1359 -10.1356 -10.1356 -8.9225 -8.9225 -8.9217 -8.9217 -3.9506 -3.9506 -3.9491 -3.9491 -0.5588 -0.5588 -0.5573 -0.5573 -0.0648 -0.0648 -0.0627 -0.0627 0.7870 0.7870 0.7880 0.7880 1.8312 1.8312 1.8324 1.8324 2.7086 2.7086 2.7100 2.7100 3.6329 3.6329 3.6338 3.6338 4.0023 4.0023 4.0031 4.0031 5.2915 5.2915 5.2917 5.2917 11.4580 11.4580 11.4596 11.4596 12.1670 12.1670 12.1712 12.1712 13.0039 13.0039 k =-0.0972 0.0601 0.5388 ( 4314 PWs) bands (ev): -13.3834 -13.3834 -13.3833 -13.3833 -10.1466 -10.1466 -10.1463 -10.1463 -8.9220 -8.9220 -8.9211 -8.9211 -3.9295 -3.9295 -3.9277 -3.9277 -0.5898 -0.5898 -0.5882 -0.5882 -0.0403 -0.0403 -0.0381 -0.0381 0.8013 0.8013 0.8024 0.8024 1.8068 1.8068 1.8082 1.8082 2.7241 2.7241 2.7257 2.7257 3.6243 3.6243 3.6254 3.6254 3.9864 3.9864 3.9874 3.9874 5.2875 5.2875 5.2877 5.2877 11.4591 11.4591 11.4608 11.4608 12.1909 12.1909 12.1957 12.1957 13.0109 13.0109 k =-0.1111 0.0687 0.5388 ( 4318 PWs) bands (ev): -13.3797 -13.3797 -13.3795 -13.3795 -10.1587 -10.1587 -10.1583 -10.1583 -8.9215 -8.9215 -8.9205 -8.9205 -3.9052 -3.9052 -3.9033 -3.9033 -0.6228 -0.6228 -0.6212 -0.6212 -0.0146 -0.0146 -0.0123 -0.0123 0.8176 0.8176 0.8188 0.8188 1.7799 1.7799 1.7815 1.7815 2.7403 2.7403 2.7421 2.7421 3.6146 3.6146 3.6158 3.6158 3.9695 3.9695 3.9706 3.9706 5.2824 5.2824 5.2825 5.2825 11.4610 11.4610 11.4628 11.4628 12.2172 12.2172 12.2226 12.2226 13.0190 13.0190 k =-0.1250 0.0773 0.5388 ( 4312 PWs) bands (ev): -13.3755 -13.3755 -13.3753 -13.3753 -10.1720 -10.1720 -10.1716 -10.1716 -8.9209 -8.9209 -8.9199 -8.9199 -3.8780 -3.8780 -3.8758 -3.8758 -0.6577 -0.6577 -0.6559 -0.6559 0.0121 0.0121 0.0144 0.0144 0.8357 0.8357 0.8370 0.8370 1.7508 1.7508 1.7526 1.7526 2.7569 2.7569 2.7588 2.7588 3.6035 3.6035 3.6050 3.6050 3.9521 3.9521 3.9533 3.9533 5.2759 5.2759 5.2761 5.2761 11.4640 11.4640 11.4659 11.4659 12.2455 12.2455 12.2515 12.2515 13.0280 13.0280 k =-0.1389 0.0859 0.5388 ( 4312 PWs) bands (ev): -13.3709 -13.3709 -13.3707 -13.3707 -10.1865 -10.1865 -10.1861 -10.1861 -8.9204 -8.9204 -8.9192 -8.9192 -3.8479 -3.8479 -3.8455 -3.8455 -0.6941 -0.6941 -0.6923 -0.6923 0.0395 0.0395 0.0419 0.0419 0.8556 0.8556 0.8571 0.8571 1.7199 1.7199 1.7218 1.7218 2.7732 2.7732 2.7753 2.7753 3.5913 3.5913 3.5929 3.5929 3.9346 3.9346 3.9359 3.9359 5.2680 5.2680 5.2682 5.2682 11.4681 11.4681 11.4701 11.4701 12.2754 12.2754 12.2819 12.2819 13.0382 13.0382 k =-0.1528 0.0944 0.5388 ( 4310 PWs) bands (ev): -13.3659 -13.3659 -13.3657 -13.3657 -10.2020 -10.2020 -10.2016 -10.2016 -8.9199 -8.9199 -8.9187 -8.9187 -3.8149 -3.8149 -3.8123 -3.8123 -0.7320 -0.7320 -0.7302 -0.7302 0.0676 0.0676 0.0700 0.0700 0.8772 0.8772 0.8788 0.8788 1.6874 1.6874 1.6894 1.6894 2.7888 2.7888 2.7911 2.7911 3.5780 3.5780 3.5798 3.5798 3.9175 3.9175 3.9190 3.9190 5.2585 5.2585 5.2588 5.2588 11.4734 11.4734 11.4755 11.4755 12.3064 12.3064 12.3135 12.3135 13.0494 13.0494 k =-0.1667 0.1030 0.5388 ( 4312 PWs) bands (ev): -13.3606 -13.3606 -13.3604 -13.3604 -10.2183 -10.2183 -10.2179 -10.2179 -8.9194 -8.9194 -8.9182 -8.9182 -3.7793 -3.7793 -3.7765 -3.7765 -0.7712 -0.7712 -0.7694 -0.7694 0.0961 0.0961 0.0985 0.0985 0.9004 0.9004 0.9020 0.9020 1.6537 1.6537 1.6558 1.6558 2.8033 2.8033 2.8057 2.8057 3.5635 3.5635 3.5656 3.5656 3.9014 3.9014 3.9030 3.9030 5.2475 5.2475 5.2478 5.2478 11.4799 11.4799 11.4821 11.4821 12.3382 12.3382 12.3458 12.3458 13.0619 13.0619 k =-0.1806 0.1116 0.5388 ( 4312 PWs) bands (ev): -13.3550 -13.3550 -13.3547 -13.3547 -10.2355 -10.2355 -10.2350 -10.2350 -8.9190 -8.9190 -8.9177 -8.9177 -3.7411 -3.7411 -3.7381 -3.7381 -0.8117 -0.8117 -0.8098 -0.8098 0.1249 0.1249 0.1273 0.1273 0.9249 0.9249 0.9267 0.9267 1.6190 1.6190 1.6213 1.6213 2.8160 2.8160 2.8186 2.8186 3.5481 3.5481 3.5504 3.5504 3.8867 3.8867 3.8884 3.8884 5.2348 5.2348 5.2352 5.2352 11.4875 11.4875 11.4898 11.4898 12.3703 12.3703 12.3785 12.3785 13.0757 13.0757 k =-0.1944 0.1202 0.5388 ( 4312 PWs) bands (ev): -13.3491 -13.3491 -13.3488 -13.3488 -10.2532 -10.2532 -10.2528 -10.2528 -8.9187 -8.9187 -8.9174 -8.9174 -3.7004 -3.7004 -3.6973 -3.6973 -0.8534 -0.8534 -0.8514 -0.8514 0.1539 0.1539 0.1564 0.1564 0.9508 0.9508 0.9527 0.9527 1.5838 1.5838 1.5862 1.5862 2.8267 2.8267 2.8295 2.8295 3.5318 3.5318 3.5343 3.5343 3.8739 3.8739 3.8757 3.8757 5.2205 5.2205 5.2210 5.2210 11.4963 11.4963 11.4986 11.4986 12.4024 12.4024 12.4110 12.4110 13.0911 13.0911 k =-0.2083 0.1288 0.5388 ( 4308 PWs) bands (ev): -13.3429 -13.3429 -13.3426 -13.3426 -10.2714 -10.2714 -10.2709 -10.2709 -8.9184 -8.9184 -8.9171 -8.9171 -3.6574 -3.6574 -3.6542 -3.6542 -0.8961 -0.8961 -0.8941 -0.8941 0.1831 0.1831 0.1855 0.1855 0.9777 0.9777 0.9797 0.9797 1.5483 1.5483 1.5508 1.5508 2.8348 2.8348 2.8377 2.8377 3.5148 3.5148 3.5175 3.5175 3.8634 3.8634 3.8652 3.8652 5.2046 5.2046 5.2052 5.2052 11.5061 11.5061 11.5084 11.5084 12.4340 12.4340 12.4431 12.4431 13.1082 13.1082 k =-0.2222 0.1374 0.5388 ( 4308 PWs) bands (ev): -13.3366 -13.3366 -13.3363 -13.3363 -10.2899 -10.2899 -10.2895 -10.2895 -8.9183 -8.9183 -8.9170 -8.9170 -3.6122 -3.6122 -3.6089 -3.6089 -0.9399 -0.9399 -0.9379 -0.9379 0.2122 0.2122 0.2146 0.2146 1.0053 1.0053 1.0075 1.0075 1.5131 1.5131 1.5158 1.5158 2.8401 2.8401 2.8431 2.8431 3.4970 3.4970 3.4999 3.4999 3.8555 3.8555 3.8574 3.8574 5.1872 5.1872 5.1879 5.1879 11.5167 11.5167 11.5191 11.5191 12.4647 12.4647 12.4743 12.4743 13.1272 13.1272 k =-0.2361 0.1459 0.5388 ( 4306 PWs) bands (ev): -13.3301 -13.3301 -13.3298 -13.3298 -10.3086 -10.3086 -10.3082 -10.3082 -8.9182 -8.9182 -8.9169 -8.9169 -3.5650 -3.5650 -3.5616 -3.5616 -0.9847 -0.9847 -0.9827 -0.9827 0.2411 0.2411 0.2436 0.2436 1.0332 1.0332 1.0356 1.0356 1.4788 1.4788 1.4817 1.4817 2.8422 2.8422 2.8453 2.8453 3.4787 3.4787 3.4818 3.4818 3.8504 3.8504 3.8524 3.8524 5.1684 5.1684 5.1692 5.1692 11.5282 11.5282 11.5305 11.5305 12.4943 12.4943 12.5042 12.5042 13.1483 13.1483 k =-0.2500 0.1545 0.5388 ( 4308 PWs) bands (ev): -13.3235 -13.3235 -13.3232 -13.3232 -10.3274 -10.3274 -10.3270 -10.3270 -8.9182 -8.9182 -8.9169 -8.9169 -3.5160 -3.5160 -3.5125 -3.5125 -1.0305 -1.0305 -1.0283 -1.0283 0.2698 0.2698 0.2722 0.2722 1.0606 1.0606 1.0632 1.0632 1.4464 1.4464 1.4495 1.4495 2.8409 2.8409 2.8441 2.8441 3.4600 3.4600 3.4633 3.4633 3.8484 3.8484 3.8503 3.8503 5.1483 5.1483 5.1493 5.1493 11.5402 11.5402 11.5426 11.5426 12.5223 12.5223 12.5326 12.5326 13.1718 13.1718 k =-0.2639 0.1631 0.5388 ( 4308 PWs) bands (ev): -13.3168 -13.3168 -13.3165 -13.3165 -10.3461 -10.3461 -10.3456 -10.3456 -8.9183 -8.9183 -8.9170 -8.9170 -3.4654 -3.4654 -3.4618 -3.4618 -1.0770 -1.0770 -1.0749 -1.0749 0.2980 0.2980 0.3005 0.3005 1.0862 1.0862 1.0891 1.0891 1.4172 1.4172 1.4205 1.4205 2.8361 2.8361 2.8394 2.8394 3.4410 3.4410 3.4445 3.4445 3.8495 3.8495 3.8514 3.8514 5.1270 5.1270 5.1281 5.1281 11.5526 11.5526 11.5550 11.5550 12.5486 12.5486 12.5591 12.5591 13.1976 13.1976 k =-0.2778 0.1717 0.5388 ( 4320 PWs) bands (ev): -13.3102 -13.3102 -13.3099 -13.3099 -10.3645 -10.3645 -10.3641 -10.3641 -8.9185 -8.9185 -8.9173 -8.9173 -3.4133 -3.4133 -3.4096 -3.4096 -1.1244 -1.1244 -1.1222 -1.1222 0.3258 0.3258 0.3283 0.3283 1.1079 1.1079 1.1111 1.1111 1.3935 1.3935 1.3969 1.3969 2.8278 2.8278 2.8311 2.8311 3.4218 3.4218 3.4254 3.4254 3.8535 3.8535 3.8554 3.8554 5.1048 5.1048 5.1061 5.1061 11.5654 11.5654 11.5678 11.5678 12.5730 12.5730 12.5836 12.5836 13.2258 13.2258 k =-0.2917 0.1803 0.5388 ( 4316 PWs) bands (ev): -13.3036 -13.3036 -13.3033 -13.3033 -10.3826 -10.3826 -10.3822 -10.3822 -8.9187 -8.9187 -8.9176 -8.9176 -3.3600 -3.3600 -3.3563 -3.3563 -1.1724 -1.1724 -1.1702 -1.1702 0.3530 0.3530 0.3555 0.3555 1.1227 1.1227 1.1261 1.1261 1.3786 1.3786 1.3820 1.3820 2.8161 2.8161 2.8194 2.8194 3.4027 3.4027 3.4064 3.4064 3.8604 3.8604 3.8623 3.8623 5.0819 5.0819 5.0832 5.0832 11.5782 11.5782 11.5807 11.5807 12.5954 12.5954 12.6061 12.6061 13.2561 13.2561 k =-0.3056 0.1889 0.5388 ( 4308 PWs) bands (ev): -13.2970 -13.2970 -13.2967 -13.2967 -10.4002 -10.4002 -10.3998 -10.3998 -8.9191 -8.9191 -8.9179 -8.9179 -3.3057 -3.3057 -3.3020 -3.3020 -1.2210 -1.2210 -1.2187 -1.2187 0.3795 0.3795 0.3820 0.3820 1.1273 1.1273 1.1307 1.1307 1.3757 1.3757 1.3790 1.3790 2.8011 2.8011 2.8043 2.8043 3.3837 3.3837 3.3874 3.3874 3.8699 3.8699 3.8717 3.8717 5.0584 5.0584 5.0598 5.0598 11.5911 11.5911 11.5935 11.5935 12.6158 12.6158 12.6264 12.6264 13.2884 13.2884 k =-0.3194 0.1975 0.5388 ( 4312 PWs) bands (ev): -13.2907 -13.2907 -13.2904 -13.2904 -10.4172 -10.4172 -10.4168 -10.4168 -8.9194 -8.9194 -8.9183 -8.9183 -3.2508 -3.2508 -3.2470 -3.2470 -1.2701 -1.2701 -1.2677 -1.2677 0.4053 0.4053 0.4078 0.4078 1.1207 1.1207 1.1239 1.1239 1.3860 1.3860 1.3889 1.3889 2.7831 2.7831 2.7862 2.7862 3.3651 3.3651 3.3687 3.3687 3.8816 3.8816 3.8834 3.8834 5.0345 5.0345 5.0360 5.0360 11.6037 11.6037 11.6061 11.6061 12.6343 12.6343 12.6448 12.6448 13.3221 13.3221 k =-0.3333 0.2060 0.5388 ( 4316 PWs) bands (ev): -13.2845 -13.2845 -13.2842 -13.2842 -10.4335 -10.4335 -10.4331 -10.4331 -8.9198 -8.9198 -8.9188 -8.9188 -3.1954 -3.1954 -3.1917 -3.1917 -1.3193 -1.3193 -1.3170 -1.3170 0.4302 0.4302 0.4327 0.4327 1.1048 1.1048 1.1077 1.1077 1.4075 1.4075 1.4100 1.4100 2.7623 2.7623 2.7653 2.7653 3.3470 3.3470 3.3506 3.3506 3.8951 3.8951 3.8970 3.8970 5.0106 5.0106 5.0121 5.0121 11.6160 11.6160 11.6184 11.6184 12.6511 12.6511 12.6614 12.6614 13.3566 13.3566 k =-0.3472 0.2146 0.5388 ( 4316 PWs) bands (ev): -13.2786 -13.2786 -13.2784 -13.2784 -10.4489 -10.4489 -10.4486 -10.4486 -8.9202 -8.9202 -8.9193 -8.9193 -3.1400 -3.1400 -3.1364 -3.1364 -1.3686 -1.3686 -1.3662 -1.3662 0.4543 0.4543 0.4568 0.4568 1.0829 1.0829 1.0856 1.0856 1.4365 1.4365 1.4386 1.4386 2.7391 2.7391 2.7420 2.7420 3.3296 3.3296 3.3330 3.3330 3.9102 3.9102 3.9119 3.9119 4.9869 4.9869 4.9884 4.9884 11.6279 11.6279 11.6302 11.6302 12.6663 12.6663 12.6763 12.6763 13.3912 13.3912 k =-0.3611 0.2232 0.5388 ( 4316 PWs) bands (ev): -13.2730 -13.2730 -13.2728 -13.2728 -10.4634 -10.4634 -10.4631 -10.4631 -8.9207 -8.9207 -8.9198 -8.9198 -3.0850 -3.0850 -3.0814 -3.0814 -1.4176 -1.4176 -1.4152 -1.4152 0.4775 0.4775 0.4799 0.4799 1.0578 1.0578 1.0604 1.0604 1.4701 1.4701 1.4720 1.4720 2.7139 2.7139 2.7166 2.7166 3.3131 3.3131 3.3164 3.3164 3.9262 3.9262 3.9279 3.9279 4.9635 4.9635 4.9651 4.9651 11.6392 11.6392 11.6414 11.6414 12.6801 12.6801 12.6896 12.6896 13.4249 13.4249 k =-0.3750 0.2318 0.5388 ( 4308 PWs) bands (ev): -13.2678 -13.2678 -13.2676 -13.2676 -10.4768 -10.4768 -10.4765 -10.4765 -8.9211 -8.9211 -8.9203 -8.9203 -3.0309 -3.0309 -3.0274 -3.0274 -1.4659 -1.4659 -1.4635 -1.4635 0.4997 0.4997 0.5021 0.5021 1.0315 1.0315 1.0340 1.0340 1.5063 1.5063 1.5079 1.5079 2.6872 2.6872 2.6898 2.6898 3.2978 3.2978 3.3008 3.3008 3.9427 3.9427 3.9443 3.9443 4.9410 4.9410 4.9425 4.9425 11.6497 11.6497 11.6518 11.6518 12.6927 12.6927 12.7017 12.7017 13.4566 13.4566 k =-0.3889 0.2404 0.5388 ( 4314 PWs) bands (ev): -13.2630 -13.2630 -13.2628 -13.2628 -10.4891 -10.4891 -10.4888 -10.4888 -8.9216 -8.9216 -8.9208 -8.9208 -2.9782 -2.9782 -2.9748 -2.9748 -1.5130 -1.5130 -1.5107 -1.5107 0.5209 0.5209 0.5232 0.5232 1.0050 1.0050 1.0075 1.0075 1.5434 1.5434 1.5450 1.5450 2.6595 2.6595 2.6619 2.6619 3.2836 3.2836 3.2863 3.2863 3.9593 3.9593 3.9608 3.9608 4.9194 4.9194 4.9209 4.9209 11.6595 11.6595 11.6614 11.6614 12.7041 12.7041 12.7125 12.7125 13.4852 13.4852 k =-0.4028 0.2490 0.5388 ( 4314 PWs) bands (ev): -13.2586 -13.2586 -13.2584 -13.2584 -10.5002 -10.5002 -10.4999 -10.4999 -8.9220 -8.9220 -8.9213 -8.9213 -2.9276 -2.9276 -2.9244 -2.9244 -1.5584 -1.5584 -1.5562 -1.5562 0.5409 0.5409 0.5432 0.5432 0.9793 0.9793 0.9817 0.9817 1.5804 1.5804 1.5818 1.5818 2.6315 2.6315 2.6337 2.6337 3.2708 3.2708 3.2733 3.2733 3.9755 3.9755 3.9769 3.9769 4.8992 4.8992 4.9006 4.9006 11.6684 11.6684 11.6701 11.6701 12.7145 12.7145 12.7221 12.7221 13.5093 13.5093 k =-0.4167 0.2576 0.5388 ( 4326 PWs) bands (ev): -13.2547 -13.2547 -13.2545 -13.2545 -10.5099 -10.5099 -10.5097 -10.5097 -8.9223 -8.9223 -8.9218 -8.9218 -2.8799 -2.8799 -2.8770 -2.8770 -1.6013 -1.6013 -1.5992 -1.5992 0.5597 0.5597 0.5619 0.5619 0.9550 0.9550 0.9572 0.9572 1.6161 1.6161 1.6175 1.6175 2.6039 2.6039 2.6059 2.6059 3.2595 3.2595 3.2616 3.2616 3.9908 3.9908 3.9921 3.9921 4.8807 4.8807 4.8820 4.8820 11.6762 11.6762 11.6778 11.6778 12.7238 12.7238 12.7306 12.7306 13.5279 13.5279 k =-0.4306 0.2661 0.5388 ( 4326 PWs) bands (ev): -13.2513 -13.2513 -13.2512 -13.2512 -10.5183 -10.5183 -10.5181 -10.5181 -8.9227 -8.9227 -8.9222 -8.9222 -2.8362 -2.8362 -2.8336 -2.8336 -1.6408 -1.6408 -1.6389 -1.6389 0.5771 0.5771 0.5791 0.5791 0.9327 0.9327 0.9347 0.9347 1.6495 1.6495 1.6507 1.6507 2.5777 2.5777 2.5794 2.5794 3.2498 3.2498 3.2516 3.2516 4.0048 4.0048 4.0059 4.0059 4.8643 4.8643 4.8654 4.8654 11.6830 11.6830 11.6844 11.6844 12.7321 12.7321 12.7379 12.7379 13.5407 13.5407 k =-0.4444 0.2747 0.5388 ( 4326 PWs) bands (ev): -13.2485 -13.2485 -13.2484 -13.2484 -10.5252 -10.5252 -10.5250 -10.5250 -8.9229 -8.9229 -8.9226 -8.9226 -2.7976 -2.7976 -2.7954 -2.7954 -1.6757 -1.6757 -1.6741 -1.6741 0.5926 0.5926 0.5944 0.5944 0.9128 0.9128 0.9146 0.9146 1.6794 1.6794 1.6805 1.6805 2.5538 2.5538 2.5553 2.5553 3.2418 3.2418 3.2433 3.2433 4.0170 4.0170 4.0179 4.0179 4.8502 4.8502 4.8512 4.8512 11.6887 11.6887 11.6898 11.6898 12.7391 12.7391 12.7439 12.7439 13.5482 13.5482 k =-0.4583 0.2833 0.5388 ( 4328 PWs) bands (ev): -13.2463 -13.2463 -13.2462 -13.2462 -10.5306 -10.5306 -10.5305 -10.5305 -8.9231 -8.9231 -8.9228 -8.9228 -2.7655 -2.7655 -2.7637 -2.7637 -1.7048 -1.7048 -1.7035 -1.7035 0.6059 0.6059 0.6073 0.6073 0.8962 0.8962 0.8977 0.8977 1.7046 1.7046 1.7054 1.7054 2.5335 2.5335 2.5346 2.5346 3.2356 3.2356 3.2367 3.2367 4.0270 4.0270 4.0277 4.0277 4.8389 4.8389 4.8396 4.8396 11.6932 11.6932 11.6941 11.6941 12.7450 12.7450 12.7486 12.7486 13.5519 13.5519 k =-0.4722 0.2919 0.5388 ( 4336 PWs) bands (ev): -13.2447 -13.2447 -13.2447 -13.2447 -10.5345 -10.5345 -10.5344 -10.5344 -8.9233 -8.9233 -8.9231 -8.9231 -2.7411 -2.7411 -2.7398 -2.7398 -1.7269 -1.7269 -1.7259 -1.7259 0.6162 0.6162 0.6173 0.6173 0.8835 0.8835 0.8846 0.8846 1.7238 1.7238 1.7244 1.7244 2.5179 2.5179 2.5187 2.5187 3.2311 3.2311 3.2319 3.2319 4.0345 4.0345 4.0350 4.0350 4.8306 4.8306 4.8311 4.8311 11.6965 11.6965 11.6971 11.6971 12.7494 12.7494 12.7519 12.7519 13.5533 13.5533 k =-0.4861 0.3005 0.5388 ( 4332 PWs) bands (ev): -13.2438 -13.2438 -13.2437 -13.2437 -10.5368 -10.5368 -10.5368 -10.5368 -8.9233 -8.9233 -8.9232 -8.9232 -2.7257 -2.7257 -2.7251 -2.7251 -1.7405 -1.7405 -1.7401 -1.7401 0.6230 0.6230 0.6235 0.6235 0.8756 0.8756 0.8762 0.8762 1.7359 1.7359 1.7362 1.7362 2.5081 2.5081 2.5085 2.5085 3.2285 3.2285 3.2289 3.2289 4.0391 4.0391 4.0394 4.0394 4.8256 4.8256 4.8259 4.8259 11.6985 11.6985 11.6988 11.6988 12.7524 12.7524 12.7536 12.7536 13.5538 13.5538 k =-0.5000 0.3091 0.5388 ( 4328 PWs) bands (ev): -13.2434 -13.2434 -13.2434 -13.2434 -10.5376 -10.5376 -10.5376 -10.5376 -8.9233 -8.9233 -8.9233 -8.9233 -2.7202 -2.7202 -2.7202 -2.7202 -1.7450 -1.7450 -1.7450 -1.7450 0.6255 0.6255 0.6255 0.6255 0.8731 0.8731 0.8731 0.8731 1.7402 1.7402 1.7402 1.7402 2.5049 2.5049 2.5049 2.5049 3.2278 3.2278 3.2278 3.2278 4.0408 4.0408 4.0408 4.0408 4.8240 4.8240 4.8240 4.8240 11.6993 11.6993 11.6993 11.6993 12.7538 12.7538 12.7538 12.7538 13.5544 13.5544 Writing output data file Si2N2O.save init_run : 3.29s CPU 13.37s WALL ( 1 calls) electrons : 1261.26s CPU 1270.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.64s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 1261.04s CPU 1270.47s WALL ( 1 calls) v_of_rho : 0.38s CPU 0.93s WALL ( 1 calls) v_h : 0.05s CPU 0.06s WALL ( 1 calls) v_xc : 0.32s CPU 0.62s WALL ( 1 calls) newd : 0.52s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 374 calls) cegterg : 1168.93s CPU 1175.21s WALL ( 1206 calls) Called by sum_band: Called by *egterg: h_psi : 413.90s CPU 426.58s WALL ( 22951 calls) s_psi : 66.67s CPU 67.28s WALL ( 22951 calls) g_psi : 0.94s CPU 1.01s WALL ( 21371 calls) cdiaghg : 532.53s CPU 527.33s WALL ( 21745 calls) cegterg:over : 87.11s CPU 83.02s WALL ( 21371 calls) cegterg:upda : 19.92s CPU 26.05s WALL ( 21371 calls) cegterg:last : 15.61s CPU 16.60s WALL ( 2704 calls) Called by h_psi: h_psi:vloc : 276.93s CPU 287.36s WALL ( 22951 calls) h_psi:vnl : 136.49s CPU 138.04s WALL ( 22951 calls) add_vuspsi : 49.53s CPU 55.95s WALL ( 22951 calls) General routines calbec : 86.87s CPU 81.92s WALL ( 22951 calls) fft : 0.32s CPU 1.22s WALL ( 19 calls) ffts : 0.01s CPU 0.03s WALL ( 4 calls) fftw : 259.33s CPU 266.00s WALL ( 1796600 calls) interpolate : 0.09s CPU 0.12s WALL ( 4 calls) davcio : 0.03s CPU 3.03s WALL ( 748 calls) Parallel routines fft_scatter : 164.65s CPU 167.77s WALL ( 1796623 calls) PWSCF : 22m22.57s CPU 24m29.32s WALL This run was terminated on: 7:21:30 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=