Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:35:42 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./CN2.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 23 12 3 769 294 49 Max 25 13 4 773 312 56 Sum 743 393 127 24703 9713 1747 bravais-lattice index = 14 lattice parameter (alat) = 6.5217 a.u. unit-cell volume = 247.1674 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.521734 celldm(2)= 1.000000 celldm(3)= 1.328252 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.741599 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.741599 0.670844 0.000000 ) a(3) = ( 0.000000 0.000000 1.328252 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.105471 -0.000000 ) b(2) = ( 0.000000 1.490660 -0.000000 ) b(3) = ( 0.000000 0.000000 0.752869 ) PseudoPot. # 1 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 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 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 C 4.00 12.01070 C( 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 ) ( 0.6641258 ) 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= 558 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 2) = ( 0.0039328 0.0102100 -0.0000000), wk = 0.0017921 k( 3) = ( 0.0078656 0.0204200 -0.0000000), wk = 0.0017921 k( 4) = ( 0.0117983 0.0306300 -0.0000000), wk = 0.0017921 k( 5) = ( 0.0157311 0.0408400 -0.0000000), wk = 0.0017921 k( 6) = ( 0.0196639 0.0510500 -0.0000000), wk = 0.0017921 k( 7) = ( 0.0235967 0.0612600 -0.0000000), wk = 0.0017921 k( 8) = ( 0.0275294 0.0714700 -0.0000000), wk = 0.0017921 k( 9) = ( 0.0314622 0.0816800 -0.0000000), wk = 0.0017921 k( 10) = ( 0.0353950 0.0918900 -0.0000000), wk = 0.0017921 k( 11) = ( 0.0393278 0.1021000 -0.0000000), wk = 0.0017921 k( 12) = ( 0.0432605 0.1123100 -0.0000000), wk = 0.0017921 k( 13) = ( 0.0471933 0.1225200 -0.0000000), wk = 0.0017921 k( 14) = ( 0.0511261 0.1327300 -0.0000000), wk = 0.0017921 k( 15) = ( 0.0550588 0.1429400 -0.0000000), wk = 0.0017921 k( 16) = ( 0.0589916 0.1531499 -0.0000000), wk = 0.0017921 k( 17) = ( 0.0629244 0.1633600 -0.0000000), wk = 0.0017921 k( 18) = ( 0.0668572 0.1735699 -0.0000000), wk = 0.0017921 k( 19) = ( 0.0707900 0.1837800 -0.0000000), wk = 0.0017921 k( 20) = ( 0.0747227 0.1939899 -0.0000000), wk = 0.0017921 k( 21) = ( 0.0786555 0.2041999 -0.0000000), wk = 0.0017921 k( 22) = ( 0.0825883 0.2144099 -0.0000000), wk = 0.0017921 k( 23) = ( 0.0865211 0.2246199 -0.0000000), wk = 0.0017921 k( 24) = ( 0.0904538 0.2348299 -0.0000000), wk = 0.0017921 k( 25) = ( 0.0943866 0.2450399 -0.0000000), wk = 0.0017921 k( 26) = ( 0.0983194 0.2552499 -0.0000000), wk = 0.0017921 k( 27) = ( 0.1022521 0.2654599 -0.0000000), wk = 0.0017921 k( 28) = ( 0.1061849 0.2756699 -0.0000000), wk = 0.0017921 k( 29) = ( 0.1101177 0.2858799 -0.0000000), wk = 0.0017921 k( 30) = ( 0.1140505 0.2960899 -0.0000000), wk = 0.0017921 k( 31) = ( 0.1179832 0.3062999 -0.0000000), wk = 0.0017921 k( 32) = ( 0.1219160 0.3165099 -0.0000000), wk = 0.0017921 k( 33) = ( 0.1258488 0.3267199 -0.0000000), wk = 0.0017921 k( 34) = ( 0.1297816 0.3369299 -0.0000000), wk = 0.0017921 k( 35) = ( 0.1337144 0.3471399 -0.0000000), wk = 0.0017921 k( 36) = ( 0.1376471 0.3573499 -0.0000000), wk = 0.0017921 k( 37) = ( 0.1415799 0.3675599 -0.0000000), wk = 0.0017921 k( 38) = ( 0.1455127 0.3777699 -0.0000000), wk = 0.0017921 k( 39) = ( 0.1494455 0.3879799 -0.0000000), wk = 0.0017921 k( 40) = ( 0.1533782 0.3981899 -0.0000000), wk = 0.0017921 k( 41) = ( 0.1573110 0.4083999 -0.0000000), wk = 0.0017921 k( 42) = ( 0.1612438 0.4186099 -0.0000000), wk = 0.0017921 k( 43) = ( 0.1651766 0.4288199 -0.0000000), wk = 0.0017921 k( 44) = ( 0.1691093 0.4390299 -0.0000000), wk = 0.0017921 k( 45) = ( 0.1730421 0.4492399 -0.0000000), wk = 0.0017921 k( 46) = ( 0.1769749 0.4594499 -0.0000000), wk = 0.0017921 k( 47) = ( 0.1809077 0.4696599 -0.0000000), wk = 0.0017921 k( 48) = ( 0.1848404 0.4798699 -0.0000000), wk = 0.0017921 k( 49) = ( 0.1887732 0.4900799 -0.0000000), wk = 0.0017921 k( 50) = ( 0.1927060 0.5002899 -0.0000000), wk = 0.0017921 k( 51) = ( 0.1966388 0.5104999 -0.0000000), wk = 0.0017921 k( 52) = ( 0.2005715 0.5207099 -0.0000000), wk = 0.0017921 k( 53) = ( 0.2045043 0.5309199 -0.0000000), wk = 0.0017921 k( 54) = ( 0.2084371 0.5411299 -0.0000000), wk = 0.0017921 k( 55) = ( 0.2123698 0.5513399 -0.0000000), wk = 0.0017921 k( 56) = ( 0.2163026 0.5615498 -0.0000000), wk = 0.0017921 k( 57) = ( 0.2202354 0.5717599 -0.0000000), wk = 0.0017921 k( 58) = ( 0.2241682 0.5819698 -0.0000000), wk = 0.0017921 k( 59) = ( 0.2281009 0.5921799 -0.0000000), wk = 0.0017921 k( 60) = ( 0.2320337 0.6023898 -0.0000000), wk = 0.0017921 k( 61) = ( 0.2359665 0.6125998 -0.0000000), wk = 0.0017921 k( 62) = ( 0.2398993 0.6228098 -0.0000000), wk = 0.0017921 k( 63) = ( 0.2438320 0.6330198 -0.0000000), wk = 0.0017921 k( 64) = ( 0.2477648 0.6432298 -0.0000000), wk = 0.0017921 k( 65) = ( 0.2516976 0.6534398 -0.0000000), wk = 0.0017921 k( 66) = ( 0.2556304 0.6636498 -0.0000000), wk = 0.0017921 k( 67) = ( 0.2595632 0.6738598 -0.0000000), wk = 0.0017921 k( 68) = ( 0.2634959 0.6840698 -0.0000000), wk = 0.0017921 k( 69) = ( 0.2674287 0.6942798 -0.0000000), wk = 0.0017921 k( 70) = ( 0.2713615 0.7044898 -0.0000000), wk = 0.0017921 k( 71) = ( 0.2752943 0.7146998 -0.0000000), wk = 0.0017921 k( 72) = ( 0.2792270 0.7249098 -0.0000000), wk = 0.0017921 k( 73) = ( 0.2831598 0.7351198 -0.0000000), wk = 0.0017921 k( 74) = ( 0.2870926 0.7453298 -0.0000000), wk = 0.0017921 k( 75) = ( 0.2870926 0.7453298 -0.0000000), wk = 0.0017921 k( 76) = ( 0.2764595 0.7453298 -0.0000000), wk = 0.0017921 k( 77) = ( 0.2658264 0.7453298 -0.0000000), wk = 0.0017921 k( 78) = ( 0.2551934 0.7453298 -0.0000000), wk = 0.0017921 k( 79) = ( 0.2445603 0.7453298 -0.0000000), wk = 0.0017921 k( 80) = ( 0.2339273 0.7453298 -0.0000000), wk = 0.0017921 k( 81) = ( 0.2232942 0.7453298 -0.0000000), wk = 0.0017921 k( 82) = ( 0.2126612 0.7453298 -0.0000000), wk = 0.0017921 k( 83) = ( 0.2020281 0.7453298 -0.0000000), wk = 0.0017921 k( 84) = ( 0.1913951 0.7453298 -0.0000000), wk = 0.0017921 k( 85) = ( 0.1807620 0.7453298 -0.0000000), wk = 0.0017921 k( 86) = ( 0.1701289 0.7453298 -0.0000000), wk = 0.0017921 k( 87) = ( 0.1594959 0.7453298 -0.0000000), wk = 0.0017921 k( 88) = ( 0.1488628 0.7453298 -0.0000000), wk = 0.0017921 k( 89) = ( 0.1382298 0.7453298 -0.0000000), wk = 0.0017921 k( 90) = ( 0.1275967 0.7453298 -0.0000000), wk = 0.0017921 k( 91) = ( 0.1169636 0.7453298 -0.0000000), wk = 0.0017921 k( 92) = ( 0.1063306 0.7453298 -0.0000000), wk = 0.0017921 k( 93) = ( 0.0956975 0.7453298 -0.0000000), wk = 0.0017921 k( 94) = ( 0.0850645 0.7453298 -0.0000000), wk = 0.0017921 k( 95) = ( 0.0744314 0.7453298 -0.0000000), wk = 0.0017921 k( 96) = ( 0.0637984 0.7453298 -0.0000000), wk = 0.0017921 k( 97) = ( 0.0531653 0.7453298 -0.0000000), wk = 0.0017921 k( 98) = ( 0.0425322 0.7453298 -0.0000000), wk = 0.0017921 k( 99) = ( 0.0318992 0.7453298 -0.0000000), wk = 0.0017921 k( 100) = ( 0.0212661 0.7453298 -0.0000000), wk = 0.0017921 k( 101) = ( 0.0106331 0.7453298 -0.0000000), wk = 0.0017921 k( 102) = ( 0.0000000 0.7453298 -0.0000000), wk = 0.0017921 k( 103) = ( 0.0000000 0.7453298 -0.0000000), wk = 0.0017921 k( 104) = ( 0.0000000 0.7453298 0.0107553), wk = 0.0017921 k( 105) = ( 0.0000000 0.7453298 0.0215106), wk = 0.0017921 k( 106) = ( 0.0000000 0.7453298 0.0322658), wk = 0.0017921 k( 107) = ( 0.0000000 0.7453298 0.0430211), wk = 0.0017921 k( 108) = ( 0.0000000 0.7453298 0.0537764), wk = 0.0017921 k( 109) = ( 0.0000000 0.7453298 0.0645317), wk = 0.0017921 k( 110) = ( 0.0000000 0.7453298 0.0752869), wk = 0.0017921 k( 111) = ( 0.0000000 0.7453298 0.0860422), wk = 0.0017921 k( 112) = ( 0.0000000 0.7453298 0.0967975), wk = 0.0017921 k( 113) = ( 0.0000000 0.7453298 0.1075528), wk = 0.0017921 k( 114) = ( 0.0000000 0.7453298 0.1183081), wk = 0.0017921 k( 115) = ( 0.0000000 0.7453298 0.1290633), wk = 0.0017921 k( 116) = ( 0.0000000 0.7453298 0.1398186), wk = 0.0017921 k( 117) = ( 0.0000000 0.7453298 0.1505739), wk = 0.0017921 k( 118) = ( 0.0000000 0.7453298 0.1613292), wk = 0.0017921 k( 119) = ( 0.0000000 0.7453298 0.1720844), wk = 0.0017921 k( 120) = ( 0.0000000 0.7453298 0.1828397), wk = 0.0017921 k( 121) = ( 0.0000000 0.7453298 0.1935950), wk = 0.0017921 k( 122) = ( 0.0000000 0.7453298 0.2043503), wk = 0.0017921 k( 123) = ( 0.0000000 0.7453298 0.2151056), wk = 0.0017921 k( 124) = ( 0.0000000 0.7453298 0.2258608), wk = 0.0017921 k( 125) = ( 0.0000000 0.7453298 0.2366161), wk = 0.0017921 k( 126) = ( 0.0000000 0.7453298 0.2473714), wk = 0.0017921 k( 127) = ( 0.0000000 0.7453298 0.2581267), wk = 0.0017921 k( 128) = ( 0.0000000 0.7453298 0.2688819), wk = 0.0017921 k( 129) = ( 0.0000000 0.7453298 0.2796372), wk = 0.0017921 k( 130) = ( 0.0000000 0.7453298 0.2903925), wk = 0.0017921 k( 131) = ( 0.0000000 0.7453298 0.3011478), wk = 0.0017921 k( 132) = ( 0.0000000 0.7453298 0.3119030), wk = 0.0017921 k( 133) = ( 0.0000000 0.7453298 0.3226583), wk = 0.0017921 k( 134) = ( 0.0000000 0.7453298 0.3334136), wk = 0.0017921 k( 135) = ( 0.0000000 0.7453298 0.3441689), wk = 0.0017921 k( 136) = ( 0.0000000 0.7453298 0.3549242), wk = 0.0017921 k( 137) = ( 0.0000000 0.7453298 0.3656794), wk = 0.0017921 k( 138) = ( 0.0000000 0.7453298 0.3764347), wk = 0.0017921 k( 139) = ( 0.0000000 0.7453298 0.3764347), wk = 0.0017921 k( 140) = ( 0.0106331 0.7453298 0.3764347), wk = 0.0017921 k( 141) = ( 0.0212661 0.7453298 0.3764347), wk = 0.0017921 k( 142) = ( 0.0318992 0.7453298 0.3764347), wk = 0.0017921 k( 143) = ( 0.0425322 0.7453298 0.3764347), wk = 0.0017921 k( 144) = ( 0.0531653 0.7453298 0.3764347), wk = 0.0017921 k( 145) = ( 0.0637984 0.7453298 0.3764347), wk = 0.0017921 k( 146) = ( 0.0744314 0.7453298 0.3764347), wk = 0.0017921 k( 147) = ( 0.0850645 0.7453298 0.3764347), wk = 0.0017921 k( 148) = ( 0.0956975 0.7453298 0.3764347), wk = 0.0017921 k( 149) = ( 0.1063306 0.7453298 0.3764347), wk = 0.0017921 k( 150) = ( 0.1169636 0.7453298 0.3764347), wk = 0.0017921 k( 151) = ( 0.1275967 0.7453298 0.3764347), wk = 0.0017921 k( 152) = ( 0.1382298 0.7453298 0.3764347), wk = 0.0017921 k( 153) = ( 0.1488628 0.7453298 0.3764347), wk = 0.0017921 k( 154) = ( 0.1594959 0.7453298 0.3764347), wk = 0.0017921 k( 155) = ( 0.1701289 0.7453298 0.3764347), wk = 0.0017921 k( 156) = ( 0.1807620 0.7453298 0.3764347), wk = 0.0017921 k( 157) = ( 0.1913951 0.7453298 0.3764347), wk = 0.0017921 k( 158) = ( 0.2020281 0.7453298 0.3764347), wk = 0.0017921 k( 159) = ( 0.2126612 0.7453298 0.3764347), wk = 0.0017921 k( 160) = ( 0.2232942 0.7453298 0.3764347), wk = 0.0017921 k( 161) = ( 0.2339273 0.7453298 0.3764347), wk = 0.0017921 k( 162) = ( 0.2445603 0.7453298 0.3764347), wk = 0.0017921 k( 163) = ( 0.2551934 0.7453298 0.3764347), wk = 0.0017921 k( 164) = ( 0.2658264 0.7453298 0.3764347), wk = 0.0017921 k( 165) = ( 0.2764595 0.7453298 0.3764347), wk = 0.0017921 k( 166) = ( 0.2870926 0.7453298 0.3764347), wk = 0.0017921 k( 167) = ( 0.2870926 0.7453298 0.3764347), wk = 0.0017921 k( 168) = ( 0.2831598 0.7351198 0.3764347), wk = 0.0017921 k( 169) = ( 0.2792270 0.7249098 0.3764347), wk = 0.0017921 k( 170) = ( 0.2752943 0.7146998 0.3764347), wk = 0.0017921 k( 171) = ( 0.2713615 0.7044898 0.3764347), wk = 0.0017921 k( 172) = ( 0.2674287 0.6942798 0.3764347), wk = 0.0017921 k( 173) = ( 0.2634959 0.6840698 0.3764347), wk = 0.0017921 k( 174) = ( 0.2595632 0.6738598 0.3764347), wk = 0.0017921 k( 175) = ( 0.2556304 0.6636498 0.3764347), wk = 0.0017921 k( 176) = ( 0.2516976 0.6534398 0.3764347), wk = 0.0017921 k( 177) = ( 0.2477648 0.6432298 0.3764347), wk = 0.0017921 k( 178) = ( 0.2438320 0.6330198 0.3764347), wk = 0.0017921 k( 179) = ( 0.2398993 0.6228098 0.3764347), wk = 0.0017921 k( 180) = ( 0.2359665 0.6125998 0.3764347), wk = 0.0017921 k( 181) = ( 0.2320337 0.6023898 0.3764347), wk = 0.0017921 k( 182) = ( 0.2281009 0.5921799 0.3764347), wk = 0.0017921 k( 183) = ( 0.2241682 0.5819698 0.3764347), wk = 0.0017921 k( 184) = ( 0.2202354 0.5717599 0.3764347), wk = 0.0017921 k( 185) = ( 0.2163026 0.5615498 0.3764347), wk = 0.0017921 k( 186) = ( 0.2123698 0.5513399 0.3764347), wk = 0.0017921 k( 187) = ( 0.2084371 0.5411299 0.3764347), wk = 0.0017921 k( 188) = ( 0.2045043 0.5309199 0.3764347), wk = 0.0017921 k( 189) = ( 0.2005715 0.5207099 0.3764347), wk = 0.0017921 k( 190) = ( 0.1966388 0.5104999 0.3764347), wk = 0.0017921 k( 191) = ( 0.1927060 0.5002899 0.3764347), wk = 0.0017921 k( 192) = ( 0.1887732 0.4900799 0.3764347), wk = 0.0017921 k( 193) = ( 0.1848404 0.4798699 0.3764347), wk = 0.0017921 k( 194) = ( 0.1809077 0.4696599 0.3764347), wk = 0.0017921 k( 195) = ( 0.1769749 0.4594499 0.3764347), wk = 0.0017921 k( 196) = ( 0.1730421 0.4492399 0.3764347), wk = 0.0017921 k( 197) = ( 0.1691093 0.4390299 0.3764347), wk = 0.0017921 k( 198) = ( 0.1651766 0.4288199 0.3764347), wk = 0.0017921 k( 199) = ( 0.1612438 0.4186099 0.3764347), wk = 0.0017921 k( 200) = ( 0.1573110 0.4083999 0.3764347), wk = 0.0017921 k( 201) = ( 0.1533782 0.3981899 0.3764347), wk = 0.0017921 k( 202) = ( 0.1494455 0.3879799 0.3764347), wk = 0.0017921 k( 203) = ( 0.1455127 0.3777699 0.3764347), wk = 0.0017921 k( 204) = ( 0.1415799 0.3675599 0.3764347), wk = 0.0017921 k( 205) = ( 0.1376471 0.3573499 0.3764347), wk = 0.0017921 k( 206) = ( 0.1337144 0.3471399 0.3764347), wk = 0.0017921 k( 207) = ( 0.1297816 0.3369299 0.3764347), wk = 0.0017921 k( 208) = ( 0.1258488 0.3267199 0.3764347), wk = 0.0017921 k( 209) = ( 0.1219160 0.3165099 0.3764347), wk = 0.0017921 k( 210) = ( 0.1179832 0.3062999 0.3764347), wk = 0.0017921 k( 211) = ( 0.1140505 0.2960899 0.3764347), wk = 0.0017921 k( 212) = ( 0.1101177 0.2858799 0.3764347), wk = 0.0017921 k( 213) = ( 0.1061849 0.2756699 0.3764347), wk = 0.0017921 k( 214) = ( 0.1022521 0.2654599 0.3764347), wk = 0.0017921 k( 215) = ( 0.0983194 0.2552499 0.3764347), wk = 0.0017921 k( 216) = ( 0.0943866 0.2450399 0.3764347), wk = 0.0017921 k( 217) = ( 0.0904538 0.2348299 0.3764347), wk = 0.0017921 k( 218) = ( 0.0865211 0.2246199 0.3764347), wk = 0.0017921 k( 219) = ( 0.0825883 0.2144099 0.3764347), wk = 0.0017921 k( 220) = ( 0.0786555 0.2041999 0.3764347), wk = 0.0017921 k( 221) = ( 0.0747227 0.1939899 0.3764347), wk = 0.0017921 k( 222) = ( 0.0707900 0.1837800 0.3764347), wk = 0.0017921 k( 223) = ( 0.0668572 0.1735699 0.3764347), wk = 0.0017921 k( 224) = ( 0.0629244 0.1633600 0.3764347), wk = 0.0017921 k( 225) = ( 0.0589916 0.1531499 0.3764347), wk = 0.0017921 k( 226) = ( 0.0550588 0.1429400 0.3764347), wk = 0.0017921 k( 227) = ( 0.0511261 0.1327300 0.3764347), wk = 0.0017921 k( 228) = ( 0.0471933 0.1225200 0.3764347), wk = 0.0017921 k( 229) = ( 0.0432605 0.1123100 0.3764347), wk = 0.0017921 k( 230) = ( 0.0393278 0.1021000 0.3764347), wk = 0.0017921 k( 231) = ( 0.0353950 0.0918900 0.3764347), wk = 0.0017921 k( 232) = ( 0.0314622 0.0816800 0.3764347), wk = 0.0017921 k( 233) = ( 0.0275294 0.0714700 0.3764347), wk = 0.0017921 k( 234) = ( 0.0235967 0.0612600 0.3764347), wk = 0.0017921 k( 235) = ( 0.0196639 0.0510500 0.3764347), wk = 0.0017921 k( 236) = ( 0.0157311 0.0408400 0.3764347), wk = 0.0017921 k( 237) = ( 0.0117983 0.0306300 0.3764347), wk = 0.0017921 k( 238) = ( 0.0078656 0.0204200 0.3764347), wk = 0.0017921 k( 239) = ( 0.0039328 0.0102100 0.3764347), wk = 0.0017921 k( 240) = ( 0.0000000 0.0000000 0.3764347), wk = 0.0017921 k( 241) = ( 0.0000000 0.0000000 0.3764347), wk = 0.0017921 k( 242) = ( 0.0000000 0.0000000 0.3656794), wk = 0.0017921 k( 243) = ( 0.0000000 0.0000000 0.3549242), wk = 0.0017921 k( 244) = ( 0.0000000 0.0000000 0.3441689), wk = 0.0017921 k( 245) = ( 0.0000000 0.0000000 0.3334136), wk = 0.0017921 k( 246) = ( 0.0000000 0.0000000 0.3226583), wk = 0.0017921 k( 247) = ( 0.0000000 0.0000000 0.3119030), wk = 0.0017921 k( 248) = ( 0.0000000 0.0000000 0.3011478), wk = 0.0017921 k( 249) = ( 0.0000000 0.0000000 0.2903925), wk = 0.0017921 k( 250) = ( 0.0000000 0.0000000 0.2796372), wk = 0.0017921 k( 251) = ( 0.0000000 0.0000000 0.2688819), wk = 0.0017921 k( 252) = ( 0.0000000 0.0000000 0.2581267), wk = 0.0017921 k( 253) = ( 0.0000000 0.0000000 0.2473714), wk = 0.0017921 k( 254) = ( 0.0000000 0.0000000 0.2366161), wk = 0.0017921 k( 255) = ( 0.0000000 0.0000000 0.2258608), wk = 0.0017921 k( 256) = ( 0.0000000 0.0000000 0.2151056), wk = 0.0017921 k( 257) = ( 0.0000000 0.0000000 0.2043503), wk = 0.0017921 k( 258) = ( 0.0000000 0.0000000 0.1935950), wk = 0.0017921 k( 259) = ( 0.0000000 0.0000000 0.1828397), wk = 0.0017921 k( 260) = ( 0.0000000 0.0000000 0.1720844), wk = 0.0017921 k( 261) = ( 0.0000000 0.0000000 0.1613292), wk = 0.0017921 k( 262) = ( 0.0000000 0.0000000 0.1505739), wk = 0.0017921 k( 263) = ( 0.0000000 0.0000000 0.1398186), wk = 0.0017921 k( 264) = ( 0.0000000 0.0000000 0.1290633), wk = 0.0017921 k( 265) = ( 0.0000000 0.0000000 0.1183081), wk = 0.0017921 k( 266) = ( 0.0000000 0.0000000 0.1075528), wk = 0.0017921 k( 267) = ( 0.0000000 0.0000000 0.0967975), wk = 0.0017921 k( 268) = ( 0.0000000 0.0000000 0.0860422), wk = 0.0017921 k( 269) = ( 0.0000000 0.0000000 0.0752869), wk = 0.0017921 k( 270) = ( 0.0000000 0.0000000 0.0645317), wk = 0.0017921 k( 271) = ( 0.0000000 0.0000000 0.0537764), wk = 0.0017921 k( 272) = ( 0.0000000 0.0000000 0.0430211), wk = 0.0017921 k( 273) = ( 0.0000000 0.0000000 0.0322658), wk = 0.0017921 k( 274) = ( 0.0000000 0.0000000 0.0215106), wk = 0.0017921 k( 275) = ( 0.0000000 0.0000000 0.0107553), wk = 0.0017921 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 278) = ( -0.0102041 0.0039305 0.0000000), wk = 0.0017921 k( 279) = ( -0.0204082 0.0078610 0.0000000), wk = 0.0017921 k( 280) = ( -0.0306122 0.0117915 0.0000000), wk = 0.0017921 k( 281) = ( -0.0408163 0.0157220 0.0000000), wk = 0.0017921 k( 282) = ( -0.0510204 0.0196525 0.0000000), wk = 0.0017921 k( 283) = ( -0.0612245 0.0235830 0.0000000), wk = 0.0017921 k( 284) = ( -0.0714286 0.0275135 0.0000000), wk = 0.0017921 k( 285) = ( -0.0816327 0.0314440 0.0000000), wk = 0.0017921 k( 286) = ( -0.0918367 0.0353745 0.0000000), wk = 0.0017921 k( 287) = ( -0.1020408 0.0393050 0.0000000), wk = 0.0017921 k( 288) = ( -0.1122449 0.0432355 0.0000000), wk = 0.0017921 k( 289) = ( -0.1224490 0.0471660 0.0000000), wk = 0.0017921 k( 290) = ( -0.1326531 0.0510965 0.0000000), wk = 0.0017921 k( 291) = ( -0.1428571 0.0550269 0.0000000), wk = 0.0017921 k( 292) = ( -0.1530612 0.0589574 0.0000000), wk = 0.0017921 k( 293) = ( -0.1632653 0.0628879 0.0000000), wk = 0.0017921 k( 294) = ( -0.1734694 0.0668184 0.0000000), wk = 0.0017921 k( 295) = ( -0.1836735 0.0707489 0.0000000), wk = 0.0017921 k( 296) = ( -0.1938776 0.0746794 0.0000000), wk = 0.0017921 k( 297) = ( -0.2040816 0.0786099 0.0000000), wk = 0.0017921 k( 298) = ( -0.2142857 0.0825404 0.0000000), wk = 0.0017921 k( 299) = ( -0.2244898 0.0864709 0.0000000), wk = 0.0017921 k( 300) = ( -0.2346939 0.0904014 0.0000000), wk = 0.0017921 k( 301) = ( -0.2448980 0.0943319 0.0000000), wk = 0.0017921 k( 302) = ( -0.2551020 0.0982624 0.0000000), wk = 0.0017921 k( 303) = ( -0.2653061 0.1021929 0.0000000), wk = 0.0017921 k( 304) = ( -0.2755102 0.1061234 0.0000000), wk = 0.0017921 k( 305) = ( -0.2857143 0.1100539 0.0000000), wk = 0.0017921 k( 306) = ( -0.2959184 0.1139844 0.0000000), wk = 0.0017921 k( 307) = ( -0.3061224 0.1179149 0.0000000), wk = 0.0017921 k( 308) = ( -0.3163265 0.1218454 0.0000000), wk = 0.0017921 k( 309) = ( -0.3265306 0.1257759 0.0000000), wk = 0.0017921 k( 310) = ( -0.3367347 0.1297064 0.0000000), wk = 0.0017921 k( 311) = ( -0.3469388 0.1336369 0.0000000), wk = 0.0017921 k( 312) = ( -0.3571429 0.1375674 0.0000000), wk = 0.0017921 k( 313) = ( -0.3673469 0.1414979 0.0000000), wk = 0.0017921 k( 314) = ( -0.3775510 0.1454284 0.0000000), wk = 0.0017921 k( 315) = ( -0.3877551 0.1493589 0.0000000), wk = 0.0017921 k( 316) = ( -0.3979592 0.1532894 0.0000000), wk = 0.0017921 k( 317) = ( -0.4081633 0.1572199 0.0000000), wk = 0.0017921 k( 318) = ( -0.4183674 0.1611503 0.0000000), wk = 0.0017921 k( 319) = ( -0.4285714 0.1650808 0.0000000), wk = 0.0017921 k( 320) = ( -0.4387755 0.1690113 0.0000000), wk = 0.0017921 k( 321) = ( -0.4489796 0.1729418 0.0000000), wk = 0.0017921 k( 322) = ( -0.4591837 0.1768723 0.0000000), wk = 0.0017921 k( 323) = ( -0.4693878 0.1808028 0.0000000), wk = 0.0017921 k( 324) = ( -0.4795918 0.1847333 0.0000000), wk = 0.0017921 k( 325) = ( -0.4897959 0.1886638 0.0000000), wk = 0.0017921 k( 326) = ( -0.5000000 0.1925943 0.0000000), wk = 0.0017921 k( 327) = ( -0.5000000 0.1925943 0.0000000), wk = 0.0017921 k( 328) = ( -0.4960573 0.2028302 -0.0000000), wk = 0.0017921 k( 329) = ( -0.4921145 0.2130660 -0.0000000), wk = 0.0017921 k( 330) = ( -0.4881718 0.2233018 -0.0000000), wk = 0.0017921 k( 331) = ( -0.4842291 0.2335377 -0.0000000), wk = 0.0017921 k( 332) = ( -0.4802863 0.2437735 -0.0000000), wk = 0.0017921 k( 333) = ( -0.4763436 0.2540094 -0.0000000), wk = 0.0017921 k( 334) = ( -0.4724009 0.2642452 -0.0000000), wk = 0.0017921 k( 335) = ( -0.4684582 0.2744811 -0.0000000), wk = 0.0017921 k( 336) = ( -0.4645154 0.2847169 -0.0000000), wk = 0.0017921 k( 337) = ( -0.4605727 0.2949527 -0.0000000), wk = 0.0017921 k( 338) = ( -0.4566300 0.3051886 -0.0000000), wk = 0.0017921 k( 339) = ( -0.4526872 0.3154244 -0.0000000), wk = 0.0017921 k( 340) = ( -0.4487445 0.3256603 -0.0000000), wk = 0.0017921 k( 341) = ( -0.4448018 0.3358961 -0.0000000), wk = 0.0017921 k( 342) = ( -0.4408590 0.3461319 -0.0000000), wk = 0.0017921 k( 343) = ( -0.4369163 0.3563678 -0.0000000), wk = 0.0017921 k( 344) = ( -0.4329736 0.3666036 -0.0000000), wk = 0.0017921 k( 345) = ( -0.4290309 0.3768395 -0.0000000), wk = 0.0017921 k( 346) = ( -0.4250881 0.3870753 -0.0000000), wk = 0.0017921 k( 347) = ( -0.4211454 0.3973112 -0.0000000), wk = 0.0017921 k( 348) = ( -0.4172027 0.4075470 -0.0000000), wk = 0.0017921 k( 349) = ( -0.4132599 0.4177828 -0.0000000), wk = 0.0017921 k( 350) = ( -0.4093172 0.4280187 -0.0000000), wk = 0.0017921 k( 351) = ( -0.4053745 0.4382545 -0.0000000), wk = 0.0017921 k( 352) = ( -0.4014317 0.4484904 -0.0000000), wk = 0.0017921 k( 353) = ( -0.3974890 0.4587262 -0.0000000), wk = 0.0017921 k( 354) = ( -0.3935463 0.4689621 -0.0000000), wk = 0.0017921 k( 355) = ( -0.3896036 0.4791979 -0.0000000), wk = 0.0017921 k( 356) = ( -0.3856608 0.4894337 -0.0000000), wk = 0.0017921 k( 357) = ( -0.3817181 0.4996696 -0.0000000), wk = 0.0017921 k( 358) = ( -0.3777754 0.5099054 -0.0000000), wk = 0.0017921 k( 359) = ( -0.3738326 0.5201413 -0.0000000), wk = 0.0017921 k( 360) = ( -0.3698899 0.5303771 -0.0000000), wk = 0.0017921 k( 361) = ( -0.3659472 0.5406130 -0.0000000), wk = 0.0017921 k( 362) = ( -0.3620044 0.5508488 -0.0000000), wk = 0.0017921 k( 363) = ( -0.3580617 0.5610847 -0.0000000), wk = 0.0017921 k( 364) = ( -0.3541190 0.5713205 -0.0000000), wk = 0.0017921 k( 365) = ( -0.3501763 0.5815563 -0.0000000), wk = 0.0017921 k( 366) = ( -0.3462335 0.5917922 -0.0000000), wk = 0.0017921 k( 367) = ( -0.3422908 0.6020280 -0.0000000), wk = 0.0017921 k( 368) = ( -0.3383481 0.6122639 -0.0000000), wk = 0.0017921 k( 369) = ( -0.3344053 0.6224997 -0.0000000), wk = 0.0017921 k( 370) = ( -0.3304626 0.6327355 -0.0000000), wk = 0.0017921 k( 371) = ( -0.3265199 0.6429714 -0.0000000), wk = 0.0017921 k( 372) = ( -0.3225771 0.6532072 -0.0000000), wk = 0.0017921 k( 373) = ( -0.3186344 0.6634431 -0.0000000), wk = 0.0017921 k( 374) = ( -0.3146917 0.6736789 -0.0000000), wk = 0.0017921 k( 375) = ( -0.3107490 0.6839148 -0.0000000), wk = 0.0017921 k( 376) = ( -0.3068062 0.6941506 -0.0000000), wk = 0.0017921 k( 377) = ( -0.3028635 0.7043864 -0.0000000), wk = 0.0017921 k( 378) = ( -0.2989208 0.7146223 -0.0000000), wk = 0.0017921 k( 379) = ( -0.2949780 0.7248581 -0.0000000), wk = 0.0017921 k( 380) = ( -0.2910353 0.7350940 -0.0000000), wk = 0.0017921 k( 381) = ( -0.2870926 0.7453298 -0.0000000), wk = 0.0017921 k( 382) = ( -0.2870926 0.7453298 -0.0000000), wk = 0.0017921 k( 383) = ( -0.2870926 0.7453298 0.0107553), wk = 0.0017921 k( 384) = ( -0.2870926 0.7453298 0.0215106), wk = 0.0017921 k( 385) = ( -0.2870926 0.7453298 0.0322658), wk = 0.0017921 k( 386) = ( -0.2870926 0.7453298 0.0430211), wk = 0.0017921 k( 387) = ( -0.2870926 0.7453298 0.0537764), wk = 0.0017921 k( 388) = ( -0.2870926 0.7453298 0.0645317), wk = 0.0017921 k( 389) = ( -0.2870926 0.7453298 0.0752869), wk = 0.0017921 k( 390) = ( -0.2870926 0.7453298 0.0860422), wk = 0.0017921 k( 391) = ( -0.2870926 0.7453298 0.0967975), wk = 0.0017921 k( 392) = ( -0.2870926 0.7453298 0.1075528), wk = 0.0017921 k( 393) = ( -0.2870926 0.7453298 0.1183081), wk = 0.0017921 k( 394) = ( -0.2870926 0.7453298 0.1290633), wk = 0.0017921 k( 395) = ( -0.2870926 0.7453298 0.1398186), wk = 0.0017921 k( 396) = ( -0.2870926 0.7453298 0.1505739), wk = 0.0017921 k( 397) = ( -0.2870926 0.7453298 0.1613292), wk = 0.0017921 k( 398) = ( -0.2870926 0.7453298 0.1720844), wk = 0.0017921 k( 399) = ( -0.2870926 0.7453298 0.1828397), wk = 0.0017921 k( 400) = ( -0.2870926 0.7453298 0.1935950), wk = 0.0017921 k( 401) = ( -0.2870926 0.7453298 0.2043503), wk = 0.0017921 k( 402) = ( -0.2870926 0.7453298 0.2151056), wk = 0.0017921 k( 403) = ( -0.2870926 0.7453298 0.2258608), wk = 0.0017921 k( 404) = ( -0.2870926 0.7453298 0.2366161), wk = 0.0017921 k( 405) = ( -0.2870926 0.7453298 0.2473714), wk = 0.0017921 k( 406) = ( -0.2870926 0.7453298 0.2581267), wk = 0.0017921 k( 407) = ( -0.2870926 0.7453298 0.2688819), wk = 0.0017921 k( 408) = ( -0.2870926 0.7453298 0.2796372), wk = 0.0017921 k( 409) = ( -0.2870926 0.7453298 0.2903925), wk = 0.0017921 k( 410) = ( -0.2870926 0.7453298 0.3011478), wk = 0.0017921 k( 411) = ( -0.2870926 0.7453298 0.3119030), wk = 0.0017921 k( 412) = ( -0.2870926 0.7453298 0.3226583), wk = 0.0017921 k( 413) = ( -0.2870926 0.7453298 0.3334136), wk = 0.0017921 k( 414) = ( -0.2870926 0.7453298 0.3441689), wk = 0.0017921 k( 415) = ( -0.2870926 0.7453298 0.3549242), wk = 0.0017921 k( 416) = ( -0.2870926 0.7453298 0.3656794), wk = 0.0017921 k( 417) = ( -0.2870926 0.7453298 0.3764347), wk = 0.0017921 k( 418) = ( -0.2870926 0.7453298 0.3764347), wk = 0.0017921 k( 419) = ( -0.2910353 0.7350940 0.3764347), wk = 0.0017921 k( 420) = ( -0.2949780 0.7248581 0.3764347), wk = 0.0017921 k( 421) = ( -0.2989208 0.7146223 0.3764347), wk = 0.0017921 k( 422) = ( -0.3028635 0.7043864 0.3764347), wk = 0.0017921 k( 423) = ( -0.3068062 0.6941506 0.3764347), wk = 0.0017921 k( 424) = ( -0.3107490 0.6839148 0.3764347), wk = 0.0017921 k( 425) = ( -0.3146917 0.6736789 0.3764347), wk = 0.0017921 k( 426) = ( -0.3186344 0.6634431 0.3764347), wk = 0.0017921 k( 427) = ( -0.3225771 0.6532072 0.3764347), wk = 0.0017921 k( 428) = ( -0.3265199 0.6429714 0.3764347), wk = 0.0017921 k( 429) = ( -0.3304626 0.6327355 0.3764347), wk = 0.0017921 k( 430) = ( -0.3344053 0.6224997 0.3764347), wk = 0.0017921 k( 431) = ( -0.3383481 0.6122639 0.3764347), wk = 0.0017921 k( 432) = ( -0.3422908 0.6020280 0.3764347), wk = 0.0017921 k( 433) = ( -0.3462335 0.5917922 0.3764347), wk = 0.0017921 k( 434) = ( -0.3501763 0.5815563 0.3764347), wk = 0.0017921 k( 435) = ( -0.3541190 0.5713205 0.3764347), wk = 0.0017921 k( 436) = ( -0.3580617 0.5610847 0.3764347), wk = 0.0017921 k( 437) = ( -0.3620044 0.5508488 0.3764347), wk = 0.0017921 k( 438) = ( -0.3659472 0.5406130 0.3764347), wk = 0.0017921 k( 439) = ( -0.3698899 0.5303771 0.3764347), wk = 0.0017921 k( 440) = ( -0.3738326 0.5201413 0.3764347), wk = 0.0017921 k( 441) = ( -0.3777754 0.5099054 0.3764347), wk = 0.0017921 k( 442) = ( -0.3817181 0.4996696 0.3764347), wk = 0.0017921 k( 443) = ( -0.3856608 0.4894337 0.3764347), wk = 0.0017921 k( 444) = ( -0.3896036 0.4791979 0.3764347), wk = 0.0017921 k( 445) = ( -0.3935463 0.4689621 0.3764347), wk = 0.0017921 k( 446) = ( -0.3974890 0.4587262 0.3764347), wk = 0.0017921 k( 447) = ( -0.4014317 0.4484904 0.3764347), wk = 0.0017921 k( 448) = ( -0.4053745 0.4382545 0.3764347), wk = 0.0017921 k( 449) = ( -0.4093172 0.4280187 0.3764347), wk = 0.0017921 k( 450) = ( -0.4132599 0.4177828 0.3764347), wk = 0.0017921 k( 451) = ( -0.4172027 0.4075470 0.3764347), wk = 0.0017921 k( 452) = ( -0.4211454 0.3973112 0.3764347), wk = 0.0017921 k( 453) = ( -0.4250881 0.3870753 0.3764347), wk = 0.0017921 k( 454) = ( -0.4290309 0.3768395 0.3764347), wk = 0.0017921 k( 455) = ( -0.4329736 0.3666036 0.3764347), wk = 0.0017921 k( 456) = ( -0.4369163 0.3563678 0.3764347), wk = 0.0017921 k( 457) = ( -0.4408590 0.3461319 0.3764347), wk = 0.0017921 k( 458) = ( -0.4448018 0.3358961 0.3764347), wk = 0.0017921 k( 459) = ( -0.4487445 0.3256603 0.3764347), wk = 0.0017921 k( 460) = ( -0.4526872 0.3154244 0.3764347), wk = 0.0017921 k( 461) = ( -0.4566300 0.3051886 0.3764347), wk = 0.0017921 k( 462) = ( -0.4605727 0.2949527 0.3764347), wk = 0.0017921 k( 463) = ( -0.4645154 0.2847169 0.3764347), wk = 0.0017921 k( 464) = ( -0.4684582 0.2744811 0.3764347), wk = 0.0017921 k( 465) = ( -0.4724009 0.2642452 0.3764347), wk = 0.0017921 k( 466) = ( -0.4763436 0.2540094 0.3764347), wk = 0.0017921 k( 467) = ( -0.4802863 0.2437735 0.3764347), wk = 0.0017921 k( 468) = ( -0.4842291 0.2335377 0.3764347), wk = 0.0017921 k( 469) = ( -0.4881718 0.2233018 0.3764347), wk = 0.0017921 k( 470) = ( -0.4921145 0.2130660 0.3764347), wk = 0.0017921 k( 471) = ( -0.4960573 0.2028302 0.3764347), wk = 0.0017921 k( 472) = ( -0.5000000 0.1925943 0.3764347), wk = 0.0017921 k( 473) = ( -0.5000000 0.1925943 0.3764347), wk = 0.0017921 k( 474) = ( -0.5000000 0.1925943 0.3656794), wk = 0.0017921 k( 475) = ( -0.5000000 0.1925943 0.3549242), wk = 0.0017921 k( 476) = ( -0.5000000 0.1925943 0.3441689), wk = 0.0017921 k( 477) = ( -0.5000000 0.1925943 0.3334136), wk = 0.0017921 k( 478) = ( -0.5000000 0.1925943 0.3226583), wk = 0.0017921 k( 479) = ( -0.5000000 0.1925943 0.3119030), wk = 0.0017921 k( 480) = ( -0.5000000 0.1925943 0.3011478), wk = 0.0017921 k( 481) = ( -0.5000000 0.1925943 0.2903925), wk = 0.0017921 k( 482) = ( -0.5000000 0.1925943 0.2796372), wk = 0.0017921 k( 483) = ( -0.5000000 0.1925943 0.2688819), wk = 0.0017921 k( 484) = ( -0.5000000 0.1925943 0.2581267), wk = 0.0017921 k( 485) = ( -0.5000000 0.1925943 0.2473714), wk = 0.0017921 k( 486) = ( -0.5000000 0.1925943 0.2366161), wk = 0.0017921 k( 487) = ( -0.5000000 0.1925943 0.2258608), wk = 0.0017921 k( 488) = ( -0.5000000 0.1925943 0.2151056), wk = 0.0017921 k( 489) = ( -0.5000000 0.1925943 0.2043503), wk = 0.0017921 k( 490) = ( -0.5000000 0.1925943 0.1935950), wk = 0.0017921 k( 491) = ( -0.5000000 0.1925943 0.1828397), wk = 0.0017921 k( 492) = ( -0.5000000 0.1925943 0.1720844), wk = 0.0017921 k( 493) = ( -0.5000000 0.1925943 0.1613292), wk = 0.0017921 k( 494) = ( -0.5000000 0.1925943 0.1505739), wk = 0.0017921 k( 495) = ( -0.5000000 0.1925943 0.1398186), wk = 0.0017921 k( 496) = ( -0.5000000 0.1925943 0.1290633), wk = 0.0017921 k( 497) = ( -0.5000000 0.1925943 0.1183081), wk = 0.0017921 k( 498) = ( -0.5000000 0.1925943 0.1075528), wk = 0.0017921 k( 499) = ( -0.5000000 0.1925943 0.0967975), wk = 0.0017921 k( 500) = ( -0.5000000 0.1925943 0.0860422), wk = 0.0017921 k( 501) = ( -0.5000000 0.1925943 0.0752869), wk = 0.0017921 k( 502) = ( -0.5000000 0.1925943 0.0645317), wk = 0.0017921 k( 503) = ( -0.5000000 0.1925943 0.0537764), wk = 0.0017921 k( 504) = ( -0.5000000 0.1925943 0.0430211), wk = 0.0017921 k( 505) = ( -0.5000000 0.1925943 0.0322658), wk = 0.0017921 k( 506) = ( -0.5000000 0.1925943 0.0215106), wk = 0.0017921 k( 507) = ( -0.5000000 0.1925943 0.0107553), wk = 0.0017921 k( 508) = ( -0.5000000 0.1925943 0.0000000), wk = 0.0017921 k( 509) = ( 0.0000000 0.0000000 0.3764347), wk = 0.0017921 k( 510) = ( -0.0102041 0.0039305 0.3764347), wk = 0.0017921 k( 511) = ( -0.0204082 0.0078610 0.3764347), wk = 0.0017921 k( 512) = ( -0.0306122 0.0117915 0.3764347), wk = 0.0017921 k( 513) = ( -0.0408163 0.0157220 0.3764347), wk = 0.0017921 k( 514) = ( -0.0510204 0.0196525 0.3764347), wk = 0.0017921 k( 515) = ( -0.0612245 0.0235830 0.3764347), wk = 0.0017921 k( 516) = ( -0.0714286 0.0275135 0.3764347), wk = 0.0017921 k( 517) = ( -0.0816327 0.0314440 0.3764347), wk = 0.0017921 k( 518) = ( -0.0918367 0.0353745 0.3764347), wk = 0.0017921 k( 519) = ( -0.1020408 0.0393050 0.3764347), wk = 0.0017921 k( 520) = ( -0.1122449 0.0432355 0.3764347), wk = 0.0017921 k( 521) = ( -0.1224490 0.0471660 0.3764347), wk = 0.0017921 k( 522) = ( -0.1326531 0.0510965 0.3764347), wk = 0.0017921 k( 523) = ( -0.1428571 0.0550269 0.3764347), wk = 0.0017921 k( 524) = ( -0.1530612 0.0589574 0.3764347), wk = 0.0017921 k( 525) = ( -0.1632653 0.0628879 0.3764347), wk = 0.0017921 k( 526) = ( -0.1734694 0.0668184 0.3764347), wk = 0.0017921 k( 527) = ( -0.1836735 0.0707489 0.3764347), wk = 0.0017921 k( 528) = ( -0.1938776 0.0746794 0.3764347), wk = 0.0017921 k( 529) = ( -0.2040816 0.0786099 0.3764347), wk = 0.0017921 k( 530) = ( -0.2142857 0.0825404 0.3764347), wk = 0.0017921 k( 531) = ( -0.2244898 0.0864709 0.3764347), wk = 0.0017921 k( 532) = ( -0.2346939 0.0904014 0.3764347), wk = 0.0017921 k( 533) = ( -0.2448980 0.0943319 0.3764347), wk = 0.0017921 k( 534) = ( -0.2551020 0.0982624 0.3764347), wk = 0.0017921 k( 535) = ( -0.2653061 0.1021929 0.3764347), wk = 0.0017921 k( 536) = ( -0.2755102 0.1061234 0.3764347), wk = 0.0017921 k( 537) = ( -0.2857143 0.1100539 0.3764347), wk = 0.0017921 k( 538) = ( -0.2959184 0.1139844 0.3764347), wk = 0.0017921 k( 539) = ( -0.3061224 0.1179149 0.3764347), wk = 0.0017921 k( 540) = ( -0.3163265 0.1218454 0.3764347), wk = 0.0017921 k( 541) = ( -0.3265306 0.1257759 0.3764347), wk = 0.0017921 k( 542) = ( -0.3367347 0.1297064 0.3764347), wk = 0.0017921 k( 543) = ( -0.3469388 0.1336369 0.3764347), wk = 0.0017921 k( 544) = ( -0.3571429 0.1375674 0.3764347), wk = 0.0017921 k( 545) = ( -0.3673469 0.1414979 0.3764347), wk = 0.0017921 k( 546) = ( -0.3775510 0.1454284 0.3764347), wk = 0.0017921 k( 547) = ( -0.3877551 0.1493589 0.3764347), wk = 0.0017921 k( 548) = ( -0.3979592 0.1532894 0.3764347), wk = 0.0017921 k( 549) = ( -0.4081633 0.1572199 0.3764347), wk = 0.0017921 k( 550) = ( -0.4183674 0.1611503 0.3764347), wk = 0.0017921 k( 551) = ( -0.4285714 0.1650808 0.3764347), wk = 0.0017921 k( 552) = ( -0.4387755 0.1690113 0.3764347), wk = 0.0017921 k( 553) = ( -0.4489796 0.1729418 0.3764347), wk = 0.0017921 k( 554) = ( -0.4591837 0.1768723 0.3764347), wk = 0.0017921 k( 555) = ( -0.4693878 0.1808028 0.3764347), wk = 0.0017921 k( 556) = ( -0.4795918 0.1847333 0.3764347), wk = 0.0017921 k( 557) = ( -0.4897959 0.1886638 0.3764347), wk = 0.0017921 k( 558) = ( -0.5000000 0.1925943 0.3764347), wk = 0.0017921 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 2) = ( 0.0039328 0.0039328 0.0000000), wk = 0.0017921 k( 3) = ( 0.0078656 0.0078656 0.0000000), wk = 0.0017921 k( 4) = ( 0.0117983 0.0117983 -0.0000000), wk = 0.0017921 k( 5) = ( 0.0157311 0.0157311 0.0000000), wk = 0.0017921 k( 6) = ( 0.0196639 0.0196639 -0.0000000), wk = 0.0017921 k( 7) = ( 0.0235967 0.0235966 -0.0000000), wk = 0.0017921 k( 8) = ( 0.0275294 0.0275294 0.0000000), wk = 0.0017921 k( 9) = ( 0.0314622 0.0314622 0.0000000), wk = 0.0017921 k( 10) = ( 0.0353950 0.0353950 0.0000000), wk = 0.0017921 k( 11) = ( 0.0393278 0.0393278 -0.0000000), wk = 0.0017921 k( 12) = ( 0.0432605 0.0432605 -0.0000000), wk = 0.0017921 k( 13) = ( 0.0471933 0.0471933 -0.0000000), wk = 0.0017921 k( 14) = ( 0.0511261 0.0511261 -0.0000000), wk = 0.0017921 k( 15) = ( 0.0550588 0.0550588 0.0000000), wk = 0.0017921 k( 16) = ( 0.0589916 0.0589916 0.0000000), wk = 0.0017921 k( 17) = ( 0.0629244 0.0629244 0.0000000), wk = 0.0017921 k( 18) = ( 0.0668572 0.0668572 0.0000000), wk = 0.0017921 k( 19) = ( 0.0707900 0.0707900 0.0000000), wk = 0.0017921 k( 20) = ( 0.0747227 0.0747227 0.0000000), wk = 0.0017921 k( 21) = ( 0.0786555 0.0786555 -0.0000000), wk = 0.0017921 k( 22) = ( 0.0825883 0.0825883 0.0000000), wk = 0.0017921 k( 23) = ( 0.0865211 0.0865210 -0.0000000), wk = 0.0017921 k( 24) = ( 0.0904538 0.0904538 0.0000000), wk = 0.0017921 k( 25) = ( 0.0943866 0.0943866 -0.0000000), wk = 0.0017921 k( 26) = ( 0.0983194 0.0983194 -0.0000000), wk = 0.0017921 k( 27) = ( 0.1022521 0.1022521 0.0000000), wk = 0.0017921 k( 28) = ( 0.1061849 0.1061849 0.0000000), wk = 0.0017921 k( 29) = ( 0.1101177 0.1101177 0.0000000), wk = 0.0017921 k( 30) = ( 0.1140505 0.1140505 -0.0000000), wk = 0.0017921 k( 31) = ( 0.1179832 0.1179832 0.0000000), wk = 0.0017921 k( 32) = ( 0.1219160 0.1219160 0.0000000), wk = 0.0017921 k( 33) = ( 0.1258488 0.1258488 0.0000000), wk = 0.0017921 k( 34) = ( 0.1297816 0.1297816 0.0000000), wk = 0.0017921 k( 35) = ( 0.1337144 0.1337143 -0.0000000), wk = 0.0017921 k( 36) = ( 0.1376471 0.1376471 -0.0000000), wk = 0.0017921 k( 37) = ( 0.1415799 0.1415799 0.0000000), wk = 0.0017921 k( 38) = ( 0.1455127 0.1455127 0.0000000), wk = 0.0017921 k( 39) = ( 0.1494455 0.1494454 0.0000000), wk = 0.0017921 k( 40) = ( 0.1533782 0.1533782 0.0000000), wk = 0.0017921 k( 41) = ( 0.1573110 0.1573110 -0.0000000), wk = 0.0017921 k( 42) = ( 0.1612438 0.1612438 0.0000000), wk = 0.0017921 k( 43) = ( 0.1651766 0.1651765 0.0000000), wk = 0.0017921 k( 44) = ( 0.1691093 0.1691093 0.0000000), wk = 0.0017921 k( 45) = ( 0.1730421 0.1730421 -0.0000000), wk = 0.0017921 k( 46) = ( 0.1769749 0.1769749 0.0000000), wk = 0.0017921 k( 47) = ( 0.1809077 0.1809076 0.0000000), wk = 0.0017921 k( 48) = ( 0.1848404 0.1848404 -0.0000000), wk = 0.0017921 k( 49) = ( 0.1887732 0.1887732 -0.0000000), wk = 0.0017921 k( 50) = ( 0.1927060 0.1927060 0.0000000), wk = 0.0017921 k( 51) = ( 0.1966388 0.1966388 0.0000000), wk = 0.0017921 k( 52) = ( 0.2005715 0.2005715 -0.0000000), wk = 0.0017921 k( 53) = ( 0.2045043 0.2045043 0.0000000), wk = 0.0017921 k( 54) = ( 0.2084371 0.2084371 0.0000000), wk = 0.0017921 k( 55) = ( 0.2123698 0.2123698 0.0000000), wk = 0.0017921 k( 56) = ( 0.2163026 0.2163026 0.0000000), wk = 0.0017921 k( 57) = ( 0.2202354 0.2202354 0.0000000), wk = 0.0017921 k( 58) = ( 0.2241682 0.2241682 0.0000000), wk = 0.0017921 k( 59) = ( 0.2281009 0.2281009 0.0000000), wk = 0.0017921 k( 60) = ( 0.2320337 0.2320337 0.0000000), wk = 0.0017921 k( 61) = ( 0.2359665 0.2359665 0.0000000), wk = 0.0017921 k( 62) = ( 0.2398993 0.2398993 0.0000000), wk = 0.0017921 k( 63) = ( 0.2438320 0.2438320 0.0000000), wk = 0.0017921 k( 64) = ( 0.2477648 0.2477648 0.0000000), wk = 0.0017921 k( 65) = ( 0.2516976 0.2516976 0.0000000), wk = 0.0017921 k( 66) = ( 0.2556304 0.2556304 0.0000000), wk = 0.0017921 k( 67) = ( 0.2595632 0.2595631 0.0000000), wk = 0.0017921 k( 68) = ( 0.2634959 0.2634959 -0.0000000), wk = 0.0017921 k( 69) = ( 0.2674287 0.2674287 -0.0000000), wk = 0.0017921 k( 70) = ( 0.2713615 0.2713615 0.0000000), wk = 0.0017921 k( 71) = ( 0.2752943 0.2752943 0.0000000), wk = 0.0017921 k( 72) = ( 0.2792270 0.2792270 0.0000000), wk = 0.0017921 k( 73) = ( 0.2831598 0.2831598 0.0000000), wk = 0.0017921 k( 74) = ( 0.2870926 0.2870926 0.0000000), wk = 0.0017921 k( 75) = ( 0.2870926 0.2870926 0.0000000), wk = 0.0017921 k( 76) = ( 0.2764595 0.2949780 0.0000000), wk = 0.0017921 k( 77) = ( 0.2658264 0.3028635 0.0000000), wk = 0.0017921 k( 78) = ( 0.2551934 0.3107489 0.0000000), wk = 0.0017921 k( 79) = ( 0.2445603 0.3186344 -0.0000000), wk = 0.0017921 k( 80) = ( 0.2339273 0.3265199 -0.0000000), wk = 0.0017921 k( 81) = ( 0.2232942 0.3344053 0.0000000), wk = 0.0017921 k( 82) = ( 0.2126612 0.3422908 0.0000000), wk = 0.0017921 k( 83) = ( 0.2020281 0.3501762 0.0000000), wk = 0.0017921 k( 84) = ( 0.1913951 0.3580617 0.0000000), wk = 0.0017921 k( 85) = ( 0.1807620 0.3659472 0.0000000), wk = 0.0017921 k( 86) = ( 0.1701289 0.3738326 0.0000000), wk = 0.0017921 k( 87) = ( 0.1594959 0.3817181 0.0000000), wk = 0.0017921 k( 88) = ( 0.1488628 0.3896036 0.0000000), wk = 0.0017921 k( 89) = ( 0.1382298 0.3974890 -0.0000000), wk = 0.0017921 k( 90) = ( 0.1275967 0.4053745 -0.0000000), wk = 0.0017921 k( 91) = ( 0.1169636 0.4132599 0.0000000), wk = 0.0017921 k( 92) = ( 0.1063306 0.4211454 0.0000000), wk = 0.0017921 k( 93) = ( 0.0956975 0.4290309 -0.0000000), wk = 0.0017921 k( 94) = ( 0.0850645 0.4369163 0.0000000), wk = 0.0017921 k( 95) = ( 0.0744314 0.4448018 0.0000000), wk = 0.0017921 k( 96) = ( 0.0637984 0.4526872 0.0000000), wk = 0.0017921 k( 97) = ( 0.0531653 0.4605727 0.0000000), wk = 0.0017921 k( 98) = ( 0.0425322 0.4684582 -0.0000000), wk = 0.0017921 k( 99) = ( 0.0318992 0.4763436 0.0000000), wk = 0.0017921 k( 100) = ( 0.0212661 0.4842291 -0.0000000), wk = 0.0017921 k( 101) = ( 0.0106331 0.4921145 0.0000000), wk = 0.0017921 k( 102) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017921 k( 103) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017921 k( 104) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0017921 k( 105) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0017921 k( 106) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0017921 k( 107) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0017921 k( 108) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0017921 k( 109) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0017921 k( 110) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0017921 k( 111) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0017921 k( 112) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0017921 k( 113) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0017921 k( 114) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0017921 k( 115) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0017921 k( 116) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0017921 k( 117) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0017921 k( 118) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0017921 k( 119) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0017921 k( 120) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0017921 k( 121) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0017921 k( 122) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0017921 k( 123) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0017921 k( 124) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0017921 k( 125) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0017921 k( 126) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0017921 k( 127) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0017921 k( 128) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0017921 k( 129) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0017921 k( 130) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0017921 k( 131) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0017921 k( 132) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0017921 k( 133) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0017921 k( 134) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0017921 k( 135) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0017921 k( 136) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0017921 k( 137) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0017921 k( 138) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017921 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017921 k( 140) = ( 0.0106331 0.4921145 0.5000000), wk = 0.0017921 k( 141) = ( 0.0212661 0.4842291 0.5000000), wk = 0.0017921 k( 142) = ( 0.0318992 0.4763436 0.5000000), wk = 0.0017921 k( 143) = ( 0.0425322 0.4684582 0.5000000), wk = 0.0017921 k( 144) = ( 0.0531653 0.4605727 0.5000000), wk = 0.0017921 k( 145) = ( 0.0637984 0.4526872 0.5000000), wk = 0.0017921 k( 146) = ( 0.0744314 0.4448018 0.5000000), wk = 0.0017921 k( 147) = ( 0.0850645 0.4369163 0.5000000), wk = 0.0017921 k( 148) = ( 0.0956975 0.4290309 0.5000000), wk = 0.0017921 k( 149) = ( 0.1063306 0.4211454 0.5000000), wk = 0.0017921 k( 150) = ( 0.1169636 0.4132599 0.5000000), wk = 0.0017921 k( 151) = ( 0.1275967 0.4053745 0.5000000), wk = 0.0017921 k( 152) = ( 0.1382298 0.3974890 0.5000000), wk = 0.0017921 k( 153) = ( 0.1488628 0.3896036 0.5000000), wk = 0.0017921 k( 154) = ( 0.1594959 0.3817181 0.5000000), wk = 0.0017921 k( 155) = ( 0.1701289 0.3738326 0.5000000), wk = 0.0017921 k( 156) = ( 0.1807620 0.3659472 0.5000000), wk = 0.0017921 k( 157) = ( 0.1913951 0.3580617 0.5000000), wk = 0.0017921 k( 158) = ( 0.2020281 0.3501762 0.5000000), wk = 0.0017921 k( 159) = ( 0.2126612 0.3422908 0.5000000), wk = 0.0017921 k( 160) = ( 0.2232942 0.3344053 0.5000000), wk = 0.0017921 k( 161) = ( 0.2339273 0.3265199 0.5000000), wk = 0.0017921 k( 162) = ( 0.2445603 0.3186344 0.5000000), wk = 0.0017921 k( 163) = ( 0.2551934 0.3107489 0.5000000), wk = 0.0017921 k( 164) = ( 0.2658264 0.3028635 0.5000000), wk = 0.0017921 k( 165) = ( 0.2764595 0.2949780 0.5000000), wk = 0.0017921 k( 166) = ( 0.2870926 0.2870926 0.5000000), wk = 0.0017921 k( 167) = ( 0.2870926 0.2870926 0.5000000), wk = 0.0017921 k( 168) = ( 0.2831598 0.2831598 0.5000000), wk = 0.0017921 k( 169) = ( 0.2792270 0.2792270 0.5000000), wk = 0.0017921 k( 170) = ( 0.2752943 0.2752943 0.5000000), wk = 0.0017921 k( 171) = ( 0.2713615 0.2713615 0.5000000), wk = 0.0017921 k( 172) = ( 0.2674287 0.2674287 0.5000000), wk = 0.0017921 k( 173) = ( 0.2634959 0.2634959 0.5000000), wk = 0.0017921 k( 174) = ( 0.2595632 0.2595631 0.5000000), wk = 0.0017921 k( 175) = ( 0.2556304 0.2556304 0.5000000), wk = 0.0017921 k( 176) = ( 0.2516976 0.2516976 0.5000000), wk = 0.0017921 k( 177) = ( 0.2477648 0.2477648 0.5000000), wk = 0.0017921 k( 178) = ( 0.2438320 0.2438320 0.5000000), wk = 0.0017921 k( 179) = ( 0.2398993 0.2398993 0.5000000), wk = 0.0017921 k( 180) = ( 0.2359665 0.2359665 0.5000000), wk = 0.0017921 k( 181) = ( 0.2320337 0.2320337 0.5000000), wk = 0.0017921 k( 182) = ( 0.2281009 0.2281009 0.5000000), wk = 0.0017921 k( 183) = ( 0.2241682 0.2241682 0.5000000), wk = 0.0017921 k( 184) = ( 0.2202354 0.2202354 0.5000000), wk = 0.0017921 k( 185) = ( 0.2163026 0.2163026 0.5000000), wk = 0.0017921 k( 186) = ( 0.2123698 0.2123698 0.5000000), wk = 0.0017921 k( 187) = ( 0.2084371 0.2084371 0.5000000), wk = 0.0017921 k( 188) = ( 0.2045043 0.2045043 0.5000000), wk = 0.0017921 k( 189) = ( 0.2005715 0.2005715 0.5000000), wk = 0.0017921 k( 190) = ( 0.1966388 0.1966388 0.5000000), wk = 0.0017921 k( 191) = ( 0.1927060 0.1927060 0.5000000), wk = 0.0017921 k( 192) = ( 0.1887732 0.1887732 0.5000000), wk = 0.0017921 k( 193) = ( 0.1848404 0.1848404 0.5000000), wk = 0.0017921 k( 194) = ( 0.1809077 0.1809076 0.5000000), wk = 0.0017921 k( 195) = ( 0.1769749 0.1769749 0.5000000), wk = 0.0017921 k( 196) = ( 0.1730421 0.1730421 0.5000000), wk = 0.0017921 k( 197) = ( 0.1691093 0.1691093 0.5000000), wk = 0.0017921 k( 198) = ( 0.1651766 0.1651765 0.5000000), wk = 0.0017921 k( 199) = ( 0.1612438 0.1612438 0.5000000), wk = 0.0017921 k( 200) = ( 0.1573110 0.1573110 0.5000000), wk = 0.0017921 k( 201) = ( 0.1533782 0.1533782 0.5000000), wk = 0.0017921 k( 202) = ( 0.1494455 0.1494454 0.5000000), wk = 0.0017921 k( 203) = ( 0.1455127 0.1455127 0.5000000), wk = 0.0017921 k( 204) = ( 0.1415799 0.1415799 0.5000000), wk = 0.0017921 k( 205) = ( 0.1376471 0.1376471 0.5000000), wk = 0.0017921 k( 206) = ( 0.1337144 0.1337143 0.5000000), wk = 0.0017921 k( 207) = ( 0.1297816 0.1297816 0.5000000), wk = 0.0017921 k( 208) = ( 0.1258488 0.1258488 0.5000000), wk = 0.0017921 k( 209) = ( 0.1219160 0.1219160 0.5000000), wk = 0.0017921 k( 210) = ( 0.1179832 0.1179832 0.5000000), wk = 0.0017921 k( 211) = ( 0.1140505 0.1140505 0.5000000), wk = 0.0017921 k( 212) = ( 0.1101177 0.1101177 0.5000000), wk = 0.0017921 k( 213) = ( 0.1061849 0.1061849 0.5000000), wk = 0.0017921 k( 214) = ( 0.1022521 0.1022521 0.5000000), wk = 0.0017921 k( 215) = ( 0.0983194 0.0983194 0.5000000), wk = 0.0017921 k( 216) = ( 0.0943866 0.0943866 0.5000000), wk = 0.0017921 k( 217) = ( 0.0904538 0.0904538 0.5000000), wk = 0.0017921 k( 218) = ( 0.0865211 0.0865210 0.5000000), wk = 0.0017921 k( 219) = ( 0.0825883 0.0825883 0.5000000), wk = 0.0017921 k( 220) = ( 0.0786555 0.0786555 0.5000000), wk = 0.0017921 k( 221) = ( 0.0747227 0.0747227 0.5000000), wk = 0.0017921 k( 222) = ( 0.0707900 0.0707900 0.5000000), wk = 0.0017921 k( 223) = ( 0.0668572 0.0668572 0.5000000), wk = 0.0017921 k( 224) = ( 0.0629244 0.0629244 0.5000000), wk = 0.0017921 k( 225) = ( 0.0589916 0.0589916 0.5000000), wk = 0.0017921 k( 226) = ( 0.0550588 0.0550588 0.5000000), wk = 0.0017921 k( 227) = ( 0.0511261 0.0511261 0.5000000), wk = 0.0017921 k( 228) = ( 0.0471933 0.0471933 0.5000000), wk = 0.0017921 k( 229) = ( 0.0432605 0.0432605 0.5000000), wk = 0.0017921 k( 230) = ( 0.0393278 0.0393278 0.5000000), wk = 0.0017921 k( 231) = ( 0.0353950 0.0353950 0.5000000), wk = 0.0017921 k( 232) = ( 0.0314622 0.0314622 0.5000000), wk = 0.0017921 k( 233) = ( 0.0275294 0.0275294 0.5000000), wk = 0.0017921 k( 234) = ( 0.0235967 0.0235966 0.5000000), wk = 0.0017921 k( 235) = ( 0.0196639 0.0196639 0.5000000), wk = 0.0017921 k( 236) = ( 0.0157311 0.0157311 0.5000000), wk = 0.0017921 k( 237) = ( 0.0117983 0.0117983 0.5000000), wk = 0.0017921 k( 238) = ( 0.0078656 0.0078656 0.5000000), wk = 0.0017921 k( 239) = ( 0.0039328 0.0039328 0.5000000), wk = 0.0017921 k( 240) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017921 k( 241) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017921 k( 242) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0017921 k( 243) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0017921 k( 244) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0017921 k( 245) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0017921 k( 246) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0017921 k( 247) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0017921 k( 248) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0017921 k( 249) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0017921 k( 250) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0017921 k( 251) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0017921 k( 252) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0017921 k( 253) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0017921 k( 254) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0017921 k( 255) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0017921 k( 256) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0017921 k( 257) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0017921 k( 258) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0017921 k( 259) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0017921 k( 260) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0017921 k( 261) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0017921 k( 262) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0017921 k( 263) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0017921 k( 264) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0017921 k( 265) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0017921 k( 266) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0017921 k( 267) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0017921 k( 268) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0017921 k( 269) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0017921 k( 270) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0017921 k( 271) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0017921 k( 272) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0017921 k( 273) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0017921 k( 274) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0017921 k( 275) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0017921 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 278) = ( -0.0102041 0.0102041 0.0000000), wk = 0.0017921 k( 279) = ( -0.0204082 0.0204082 0.0000000), wk = 0.0017921 k( 280) = ( -0.0306122 0.0306122 0.0000000), wk = 0.0017921 k( 281) = ( -0.0408163 0.0408163 -0.0000000), wk = 0.0017921 k( 282) = ( -0.0510204 0.0510204 -0.0000000), wk = 0.0017921 k( 283) = ( -0.0612245 0.0612245 0.0000000), wk = 0.0017921 k( 284) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0017921 k( 285) = ( -0.0816327 0.0816327 -0.0000000), wk = 0.0017921 k( 286) = ( -0.0918367 0.0918367 -0.0000000), wk = 0.0017921 k( 287) = ( -0.1020408 0.1020408 -0.0000000), wk = 0.0017921 k( 288) = ( -0.1122449 0.1122449 -0.0000000), wk = 0.0017921 k( 289) = ( -0.1224490 0.1224490 0.0000000), wk = 0.0017921 k( 290) = ( -0.1326531 0.1326531 0.0000000), wk = 0.0017921 k( 291) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0017921 k( 292) = ( -0.1530612 0.1530612 0.0000000), wk = 0.0017921 k( 293) = ( -0.1632653 0.1632653 -0.0000000), wk = 0.0017921 k( 294) = ( -0.1734694 0.1734694 0.0000000), wk = 0.0017921 k( 295) = ( -0.1836735 0.1836735 -0.0000000), wk = 0.0017921 k( 296) = ( -0.1938776 0.1938776 0.0000000), wk = 0.0017921 k( 297) = ( -0.2040816 0.2040816 -0.0000000), wk = 0.0017921 k( 298) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0017921 k( 299) = ( -0.2244898 0.2244898 -0.0000000), wk = 0.0017921 k( 300) = ( -0.2346939 0.2346939 0.0000000), wk = 0.0017921 k( 301) = ( -0.2448980 0.2448980 0.0000000), wk = 0.0017921 k( 302) = ( -0.2551020 0.2551020 0.0000000), wk = 0.0017921 k( 303) = ( -0.2653061 0.2653061 0.0000000), wk = 0.0017921 k( 304) = ( -0.2755102 0.2755102 0.0000000), wk = 0.0017921 k( 305) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0017921 k( 306) = ( -0.2959184 0.2959184 0.0000000), wk = 0.0017921 k( 307) = ( -0.3061224 0.3061225 -0.0000000), wk = 0.0017921 k( 308) = ( -0.3163265 0.3163265 -0.0000000), wk = 0.0017921 k( 309) = ( -0.3265306 0.3265306 0.0000000), wk = 0.0017921 k( 310) = ( -0.3367347 0.3367347 0.0000000), wk = 0.0017921 k( 311) = ( -0.3469388 0.3469388 0.0000000), wk = 0.0017921 k( 312) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0017921 k( 313) = ( -0.3673469 0.3673469 -0.0000000), wk = 0.0017921 k( 314) = ( -0.3775510 0.3775510 0.0000000), wk = 0.0017921 k( 315) = ( -0.3877551 0.3877551 0.0000000), wk = 0.0017921 k( 316) = ( -0.3979592 0.3979592 -0.0000000), wk = 0.0017921 k( 317) = ( -0.4081633 0.4081633 0.0000000), wk = 0.0017921 k( 318) = ( -0.4183674 0.4183674 0.0000000), wk = 0.0017921 k( 319) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0017921 k( 320) = ( -0.4387755 0.4387755 0.0000000), wk = 0.0017921 k( 321) = ( -0.4489796 0.4489796 0.0000000), wk = 0.0017921 k( 322) = ( -0.4591837 0.4591837 -0.0000000), wk = 0.0017921 k( 323) = ( -0.4693878 0.4693878 0.0000000), wk = 0.0017921 k( 324) = ( -0.4795918 0.4795918 0.0000000), wk = 0.0017921 k( 325) = ( -0.4897959 0.4897959 0.0000000), wk = 0.0017921 k( 326) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0017921 k( 327) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0017921 k( 328) = ( -0.4960573 0.5039427 0.0000000), wk = 0.0017921 k( 329) = ( -0.4921145 0.5078855 0.0000000), wk = 0.0017921 k( 330) = ( -0.4881718 0.5118282 -0.0000000), wk = 0.0017921 k( 331) = ( -0.4842291 0.5157709 -0.0000000), wk = 0.0017921 k( 332) = ( -0.4802863 0.5197137 -0.0000000), wk = 0.0017921 k( 333) = ( -0.4763436 0.5236564 0.0000000), wk = 0.0017921 k( 334) = ( -0.4724009 0.5275991 0.0000000), wk = 0.0017921 k( 335) = ( -0.4684582 0.5315418 0.0000000), wk = 0.0017921 k( 336) = ( -0.4645154 0.5354846 -0.0000000), wk = 0.0017921 k( 337) = ( -0.4605727 0.5394273 0.0000000), wk = 0.0017921 k( 338) = ( -0.4566300 0.5433700 0.0000000), wk = 0.0017921 k( 339) = ( -0.4526872 0.5473128 0.0000000), wk = 0.0017921 k( 340) = ( -0.4487445 0.5512555 -0.0000000), wk = 0.0017921 k( 341) = ( -0.4448018 0.5551982 0.0000000), wk = 0.0017921 k( 342) = ( -0.4408590 0.5591409 0.0000000), wk = 0.0017921 k( 343) = ( -0.4369163 0.5630837 0.0000000), wk = 0.0017921 k( 344) = ( -0.4329736 0.5670264 0.0000000), wk = 0.0017921 k( 345) = ( -0.4290309 0.5709691 0.0000000), wk = 0.0017921 k( 346) = ( -0.4250881 0.5749119 -0.0000000), wk = 0.0017921 k( 347) = ( -0.4211454 0.5788546 0.0000000), wk = 0.0017921 k( 348) = ( -0.4172027 0.5827973 0.0000000), wk = 0.0017921 k( 349) = ( -0.4132599 0.5867401 0.0000000), wk = 0.0017921 k( 350) = ( -0.4093172 0.5906828 -0.0000000), wk = 0.0017921 k( 351) = ( -0.4053745 0.5946255 -0.0000000), wk = 0.0017921 k( 352) = ( -0.4014317 0.5985683 0.0000000), wk = 0.0017921 k( 353) = ( -0.3974890 0.6025110 -0.0000000), wk = 0.0017921 k( 354) = ( -0.3935463 0.6064537 -0.0000000), wk = 0.0017921 k( 355) = ( -0.3896036 0.6103964 0.0000000), wk = 0.0017921 k( 356) = ( -0.3856608 0.6143392 0.0000000), wk = 0.0017921 k( 357) = ( -0.3817181 0.6182819 0.0000000), wk = 0.0017921 k( 358) = ( -0.3777754 0.6222246 -0.0000000), wk = 0.0017921 k( 359) = ( -0.3738326 0.6261674 -0.0000000), wk = 0.0017921 k( 360) = ( -0.3698899 0.6301101 -0.0000000), wk = 0.0017921 k( 361) = ( -0.3659472 0.6340528 0.0000000), wk = 0.0017921 k( 362) = ( -0.3620044 0.6379956 -0.0000000), wk = 0.0017921 k( 363) = ( -0.3580617 0.6419383 0.0000000), wk = 0.0017921 k( 364) = ( -0.3541190 0.6458810 0.0000000), wk = 0.0017921 k( 365) = ( -0.3501763 0.6498238 0.0000000), wk = 0.0017921 k( 366) = ( -0.3462335 0.6537665 0.0000000), wk = 0.0017921 k( 367) = ( -0.3422908 0.6577092 0.0000000), wk = 0.0017921 k( 368) = ( -0.3383481 0.6616519 -0.0000000), wk = 0.0017921 k( 369) = ( -0.3344053 0.6655947 -0.0000000), wk = 0.0017921 k( 370) = ( -0.3304626 0.6695374 0.0000000), wk = 0.0017921 k( 371) = ( -0.3265199 0.6734801 0.0000000), wk = 0.0017921 k( 372) = ( -0.3225771 0.6774229 -0.0000000), wk = 0.0017921 k( 373) = ( -0.3186344 0.6813656 0.0000000), wk = 0.0017921 k( 374) = ( -0.3146917 0.6853083 0.0000000), wk = 0.0017921 k( 375) = ( -0.3107490 0.6892510 0.0000000), wk = 0.0017921 k( 376) = ( -0.3068062 0.6931938 0.0000000), wk = 0.0017921 k( 377) = ( -0.3028635 0.6971365 -0.0000000), wk = 0.0017921 k( 378) = ( -0.2989208 0.7010792 -0.0000000), wk = 0.0017921 k( 379) = ( -0.2949780 0.7050220 0.0000000), wk = 0.0017921 k( 380) = ( -0.2910353 0.7089647 0.0000000), wk = 0.0017921 k( 381) = ( -0.2870926 0.7129074 -0.0000000), wk = 0.0017921 k( 382) = ( -0.2870926 0.7129074 -0.0000000), wk = 0.0017921 k( 383) = ( -0.2870926 0.7129074 0.0142857), wk = 0.0017921 k( 384) = ( -0.2870926 0.7129074 0.0285714), wk = 0.0017921 k( 385) = ( -0.2870926 0.7129074 0.0428571), wk = 0.0017921 k( 386) = ( -0.2870926 0.7129074 0.0571429), wk = 0.0017921 k( 387) = ( -0.2870926 0.7129074 0.0714286), wk = 0.0017921 k( 388) = ( -0.2870926 0.7129074 0.0857143), wk = 0.0017921 k( 389) = ( -0.2870926 0.7129074 0.1000000), wk = 0.0017921 k( 390) = ( -0.2870926 0.7129074 0.1142857), wk = 0.0017921 k( 391) = ( -0.2870926 0.7129074 0.1285714), wk = 0.0017921 k( 392) = ( -0.2870926 0.7129074 0.1428571), wk = 0.0017921 k( 393) = ( -0.2870926 0.7129074 0.1571429), wk = 0.0017921 k( 394) = ( -0.2870926 0.7129074 0.1714286), wk = 0.0017921 k( 395) = ( -0.2870926 0.7129074 0.1857143), wk = 0.0017921 k( 396) = ( -0.2870926 0.7129074 0.2000000), wk = 0.0017921 k( 397) = ( -0.2870926 0.7129074 0.2142857), wk = 0.0017921 k( 398) = ( -0.2870926 0.7129074 0.2285714), wk = 0.0017921 k( 399) = ( -0.2870926 0.7129074 0.2428571), wk = 0.0017921 k( 400) = ( -0.2870926 0.7129074 0.2571429), wk = 0.0017921 k( 401) = ( -0.2870926 0.7129074 0.2714286), wk = 0.0017921 k( 402) = ( -0.2870926 0.7129074 0.2857143), wk = 0.0017921 k( 403) = ( -0.2870926 0.7129074 0.3000000), wk = 0.0017921 k( 404) = ( -0.2870926 0.7129074 0.3142857), wk = 0.0017921 k( 405) = ( -0.2870926 0.7129074 0.3285714), wk = 0.0017921 k( 406) = ( -0.2870926 0.7129074 0.3428571), wk = 0.0017921 k( 407) = ( -0.2870926 0.7129074 0.3571429), wk = 0.0017921 k( 408) = ( -0.2870926 0.7129074 0.3714286), wk = 0.0017921 k( 409) = ( -0.2870926 0.7129074 0.3857143), wk = 0.0017921 k( 410) = ( -0.2870926 0.7129074 0.4000000), wk = 0.0017921 k( 411) = ( -0.2870926 0.7129074 0.4142857), wk = 0.0017921 k( 412) = ( -0.2870926 0.7129074 0.4285714), wk = 0.0017921 k( 413) = ( -0.2870926 0.7129074 0.4428571), wk = 0.0017921 k( 414) = ( -0.2870926 0.7129074 0.4571429), wk = 0.0017921 k( 415) = ( -0.2870926 0.7129074 0.4714286), wk = 0.0017921 k( 416) = ( -0.2870926 0.7129074 0.4857143), wk = 0.0017921 k( 417) = ( -0.2870926 0.7129074 0.5000000), wk = 0.0017921 k( 418) = ( -0.2870926 0.7129074 0.5000000), wk = 0.0017921 k( 419) = ( -0.2910353 0.7089647 0.5000000), wk = 0.0017921 k( 420) = ( -0.2949780 0.7050220 0.5000000), wk = 0.0017921 k( 421) = ( -0.2989208 0.7010792 0.5000000), wk = 0.0017921 k( 422) = ( -0.3028635 0.6971365 0.5000000), wk = 0.0017921 k( 423) = ( -0.3068062 0.6931938 0.5000000), wk = 0.0017921 k( 424) = ( -0.3107490 0.6892510 0.5000000), wk = 0.0017921 k( 425) = ( -0.3146917 0.6853083 0.5000000), wk = 0.0017921 k( 426) = ( -0.3186344 0.6813656 0.5000000), wk = 0.0017921 k( 427) = ( -0.3225771 0.6774229 0.5000000), wk = 0.0017921 k( 428) = ( -0.3265199 0.6734801 0.5000000), wk = 0.0017921 k( 429) = ( -0.3304626 0.6695374 0.5000000), wk = 0.0017921 k( 430) = ( -0.3344053 0.6655947 0.5000000), wk = 0.0017921 k( 431) = ( -0.3383481 0.6616519 0.5000000), wk = 0.0017921 k( 432) = ( -0.3422908 0.6577092 0.5000000), wk = 0.0017921 k( 433) = ( -0.3462335 0.6537665 0.5000000), wk = 0.0017921 k( 434) = ( -0.3501763 0.6498238 0.5000000), wk = 0.0017921 k( 435) = ( -0.3541190 0.6458810 0.5000000), wk = 0.0017921 k( 436) = ( -0.3580617 0.6419383 0.5000000), wk = 0.0017921 k( 437) = ( -0.3620044 0.6379956 0.5000000), wk = 0.0017921 k( 438) = ( -0.3659472 0.6340528 0.5000000), wk = 0.0017921 k( 439) = ( -0.3698899 0.6301101 0.5000000), wk = 0.0017921 k( 440) = ( -0.3738326 0.6261674 0.5000000), wk = 0.0017921 k( 441) = ( -0.3777754 0.6222246 0.5000000), wk = 0.0017921 k( 442) = ( -0.3817181 0.6182819 0.5000000), wk = 0.0017921 k( 443) = ( -0.3856608 0.6143392 0.5000000), wk = 0.0017921 k( 444) = ( -0.3896036 0.6103964 0.5000000), wk = 0.0017921 k( 445) = ( -0.3935463 0.6064537 0.5000000), wk = 0.0017921 k( 446) = ( -0.3974890 0.6025110 0.5000000), wk = 0.0017921 k( 447) = ( -0.4014317 0.5985683 0.5000000), wk = 0.0017921 k( 448) = ( -0.4053745 0.5946255 0.5000000), wk = 0.0017921 k( 449) = ( -0.4093172 0.5906828 0.5000000), wk = 0.0017921 k( 450) = ( -0.4132599 0.5867401 0.5000000), wk = 0.0017921 k( 451) = ( -0.4172027 0.5827973 0.5000000), wk = 0.0017921 k( 452) = ( -0.4211454 0.5788546 0.5000000), wk = 0.0017921 k( 453) = ( -0.4250881 0.5749119 0.5000000), wk = 0.0017921 k( 454) = ( -0.4290309 0.5709691 0.5000000), wk = 0.0017921 k( 455) = ( -0.4329736 0.5670264 0.5000000), wk = 0.0017921 k( 456) = ( -0.4369163 0.5630837 0.5000000), wk = 0.0017921 k( 457) = ( -0.4408590 0.5591409 0.5000000), wk = 0.0017921 k( 458) = ( -0.4448018 0.5551982 0.5000000), wk = 0.0017921 k( 459) = ( -0.4487445 0.5512555 0.5000000), wk = 0.0017921 k( 460) = ( -0.4526872 0.5473128 0.5000000), wk = 0.0017921 k( 461) = ( -0.4566300 0.5433700 0.5000000), wk = 0.0017921 k( 462) = ( -0.4605727 0.5394273 0.5000000), wk = 0.0017921 k( 463) = ( -0.4645154 0.5354846 0.5000000), wk = 0.0017921 k( 464) = ( -0.4684582 0.5315418 0.5000000), wk = 0.0017921 k( 465) = ( -0.4724009 0.5275991 0.5000000), wk = 0.0017921 k( 466) = ( -0.4763436 0.5236564 0.5000000), wk = 0.0017921 k( 467) = ( -0.4802863 0.5197137 0.5000000), wk = 0.0017921 k( 468) = ( -0.4842291 0.5157709 0.5000000), wk = 0.0017921 k( 469) = ( -0.4881718 0.5118282 0.5000000), wk = 0.0017921 k( 470) = ( -0.4921145 0.5078855 0.5000000), wk = 0.0017921 k( 471) = ( -0.4960573 0.5039427 0.5000000), wk = 0.0017921 k( 472) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017921 k( 473) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017921 k( 474) = ( -0.5000000 0.5000000 0.4857143), wk = 0.0017921 k( 475) = ( -0.5000000 0.5000000 0.4714286), wk = 0.0017921 k( 476) = ( -0.5000000 0.5000000 0.4571429), wk = 0.0017921 k( 477) = ( -0.5000000 0.5000000 0.4428571), wk = 0.0017921 k( 478) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0017921 k( 479) = ( -0.5000000 0.5000000 0.4142857), wk = 0.0017921 k( 480) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0017921 k( 481) = ( -0.5000000 0.5000000 0.3857143), wk = 0.0017921 k( 482) = ( -0.5000000 0.5000000 0.3714286), wk = 0.0017921 k( 483) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0017921 k( 484) = ( -0.5000000 0.5000000 0.3428571), wk = 0.0017921 k( 485) = ( -0.5000000 0.5000000 0.3285714), wk = 0.0017921 k( 486) = ( -0.5000000 0.5000000 0.3142857), wk = 0.0017921 k( 487) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0017921 k( 488) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0017921 k( 489) = ( -0.5000000 0.5000000 0.2714286), wk = 0.0017921 k( 490) = ( -0.5000000 0.5000000 0.2571429), wk = 0.0017921 k( 491) = ( -0.5000000 0.5000000 0.2428571), wk = 0.0017921 k( 492) = ( -0.5000000 0.5000000 0.2285714), wk = 0.0017921 k( 493) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0017921 k( 494) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0017921 k( 495) = ( -0.5000000 0.5000000 0.1857143), wk = 0.0017921 k( 496) = ( -0.5000000 0.5000000 0.1714286), wk = 0.0017921 k( 497) = ( -0.5000000 0.5000000 0.1571429), wk = 0.0017921 k( 498) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0017921 k( 499) = ( -0.5000000 0.5000000 0.1285714), wk = 0.0017921 k( 500) = ( -0.5000000 0.5000000 0.1142857), wk = 0.0017921 k( 501) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0017921 k( 502) = ( -0.5000000 0.5000000 0.0857143), wk = 0.0017921 k( 503) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0017921 k( 504) = ( -0.5000000 0.5000000 0.0571429), wk = 0.0017921 k( 505) = ( -0.5000000 0.5000000 0.0428571), wk = 0.0017921 k( 506) = ( -0.5000000 0.5000000 0.0285714), wk = 0.0017921 k( 507) = ( -0.5000000 0.5000000 0.0142857), wk = 0.0017921 k( 508) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0017921 k( 509) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017921 k( 510) = ( -0.0102041 0.0102041 0.5000000), wk = 0.0017921 k( 511) = ( -0.0204082 0.0204082 0.5000000), wk = 0.0017921 k( 512) = ( -0.0306122 0.0306122 0.5000000), wk = 0.0017921 k( 513) = ( -0.0408163 0.0408163 0.5000000), wk = 0.0017921 k( 514) = ( -0.0510204 0.0510204 0.5000000), wk = 0.0017921 k( 515) = ( -0.0612245 0.0612245 0.5000000), wk = 0.0017921 k( 516) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0017921 k( 517) = ( -0.0816327 0.0816327 0.5000000), wk = 0.0017921 k( 518) = ( -0.0918367 0.0918367 0.5000000), wk = 0.0017921 k( 519) = ( -0.1020408 0.1020408 0.5000000), wk = 0.0017921 k( 520) = ( -0.1122449 0.1122449 0.5000000), wk = 0.0017921 k( 521) = ( -0.1224490 0.1224490 0.5000000), wk = 0.0017921 k( 522) = ( -0.1326531 0.1326531 0.5000000), wk = 0.0017921 k( 523) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0017921 k( 524) = ( -0.1530612 0.1530612 0.5000000), wk = 0.0017921 k( 525) = ( -0.1632653 0.1632653 0.5000000), wk = 0.0017921 k( 526) = ( -0.1734694 0.1734694 0.5000000), wk = 0.0017921 k( 527) = ( -0.1836735 0.1836735 0.5000000), wk = 0.0017921 k( 528) = ( -0.1938776 0.1938776 0.5000000), wk = 0.0017921 k( 529) = ( -0.2040816 0.2040816 0.5000000), wk = 0.0017921 k( 530) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0017921 k( 531) = ( -0.2244898 0.2244898 0.5000000), wk = 0.0017921 k( 532) = ( -0.2346939 0.2346939 0.5000000), wk = 0.0017921 k( 533) = ( -0.2448980 0.2448980 0.5000000), wk = 0.0017921 k( 534) = ( -0.2551020 0.2551020 0.5000000), wk = 0.0017921 k( 535) = ( -0.2653061 0.2653061 0.5000000), wk = 0.0017921 k( 536) = ( -0.2755102 0.2755102 0.5000000), wk = 0.0017921 k( 537) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0017921 k( 538) = ( -0.2959184 0.2959184 0.5000000), wk = 0.0017921 k( 539) = ( -0.3061224 0.3061225 0.5000000), wk = 0.0017921 k( 540) = ( -0.3163265 0.3163265 0.5000000), wk = 0.0017921 k( 541) = ( -0.3265306 0.3265306 0.5000000), wk = 0.0017921 k( 542) = ( -0.3367347 0.3367347 0.5000000), wk = 0.0017921 k( 543) = ( -0.3469388 0.3469388 0.5000000), wk = 0.0017921 k( 544) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0017921 k( 545) = ( -0.3673469 0.3673469 0.5000000), wk = 0.0017921 k( 546) = ( -0.3775510 0.3775510 0.5000000), wk = 0.0017921 k( 547) = ( -0.3877551 0.3877551 0.5000000), wk = 0.0017921 k( 548) = ( -0.3979592 0.3979592 0.5000000), wk = 0.0017921 k( 549) = ( -0.4081633 0.4081633 0.5000000), wk = 0.0017921 k( 550) = ( -0.4183674 0.4183674 0.5000000), wk = 0.0017921 k( 551) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0017921 k( 552) = ( -0.4387755 0.4387755 0.5000000), wk = 0.0017921 k( 553) = ( -0.4489796 0.4489796 0.5000000), wk = 0.0017921 k( 554) = ( -0.4591837 0.4591837 0.5000000), wk = 0.0017921 k( 555) = ( -0.4693878 0.4693878 0.5000000), wk = 0.0017921 k( 556) = ( -0.4795918 0.4795918 0.5000000), wk = 0.0017921 k( 557) = ( -0.4897959 0.4897959 0.5000000), wk = 0.0017921 k( 558) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017921 Dense grid: 24703 G-vectors FFT dimensions: ( 40, 40, 50) Smooth grid: 9713 G-vectors FFT dimensions: ( 27, 27, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 84, 36) NL pseudopotentials 0.05 Mb ( 42, 84) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 770) G-vector shells 0.00 Mb ( 395) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 84, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.09 Mb ( 84, 2, 36) Check: negative/imaginary core charge= -0.000013 0.000000 The potential is recalculated from file : ./CN2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.0 secs Computing kpt #: 12 total cpu time spent up to now is 5.3 secs Computing kpt #: 13 total cpu time spent up to now is 5.5 secs Computing kpt #: 14 total cpu time spent up to now is 5.8 secs Computing kpt #: 15 total cpu time spent up to now is 6.1 secs Computing kpt #: 16 total cpu time spent up to now is 6.3 secs Computing kpt #: 17 total cpu time spent up to now is 6.6 secs Computing kpt #: 18 total cpu time spent up to now is 6.9 secs Computing kpt #: 19 total cpu time spent up to now is 7.2 secs Computing kpt #: 20 total cpu time spent up to now is 7.4 secs Computing kpt #: 21 total cpu time spent up to now is 7.7 secs Computing kpt #: 22 total cpu time spent up to now is 7.9 secs Computing kpt #: 23 total cpu time spent up to now is 8.2 secs Computing kpt #: 24 total cpu time spent up to now is 8.5 secs Computing kpt #: 25 total cpu time spent up to now is 8.8 secs Computing kpt #: 26 total cpu time spent up to now is 9.1 secs Computing kpt #: 27 total cpu time spent up to now is 9.4 secs Computing kpt #: 28 total cpu time spent up to now is 9.7 secs Computing kpt #: 29 total cpu time spent up to now is 10.0 secs Computing kpt #: 30 total cpu time spent up to now is 10.3 secs Computing kpt #: 31 total cpu time spent up to now is 10.6 secs Computing kpt #: 32 total cpu time spent up to now is 11.0 secs Computing kpt #: 33 total cpu time spent up to now is 11.3 secs Computing kpt #: 34 total cpu time spent up to now is 11.7 secs Computing kpt #: 35 total cpu time spent up to now is 12.1 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.8 secs Computing kpt #: 38 total cpu time spent up to now is 13.1 secs Computing kpt #: 39 total cpu time spent up to now is 13.4 secs Computing kpt #: 40 total cpu time spent up to now is 13.7 secs Computing kpt #: 41 total cpu time spent up to now is 13.9 secs Computing kpt #: 42 total cpu time spent up to now is 14.2 secs Computing kpt #: 43 total cpu time spent up to now is 14.5 secs Computing kpt #: 44 total cpu time spent up to now is 14.7 secs Computing kpt #: 45 total cpu time spent up to now is 15.0 secs Computing kpt #: 46 total cpu time spent up to now is 15.3 secs Computing kpt #: 47 total cpu time spent up to now is 15.5 secs Computing kpt #: 48 total cpu time spent up to now is 15.8 secs Computing kpt #: 49 total cpu time spent up to now is 16.0 secs Computing kpt #: 50 total cpu time spent up to now is 16.3 secs Computing kpt #: 51 total cpu time spent up to now is 16.5 secs Computing kpt #: 52 total cpu time spent up to now is 16.8 secs Computing kpt #: 53 total cpu time spent up to now is 17.0 secs Computing kpt #: 54 total cpu time spent up to now is 17.3 secs Computing kpt #: 55 total cpu time spent up to now is 17.5 secs Computing kpt #: 56 total cpu time spent up to now is 17.8 secs Computing kpt #: 57 total cpu time spent up to now is 18.0 secs Computing kpt #: 58 total cpu time spent up to now is 18.2 secs Computing kpt #: 59 total cpu time spent up to now is 18.5 secs Computing kpt #: 60 total cpu time spent up to now is 18.7 secs Computing kpt #: 61 total cpu time spent up to now is 19.0 secs Computing kpt #: 62 total cpu time spent up to now is 19.2 secs Computing kpt #: 63 total cpu time spent up to now is 19.4 secs Computing kpt #: 64 total cpu time spent up to now is 19.7 secs Computing kpt #: 65 total cpu time spent up to now is 19.9 secs Computing kpt #: 66 total cpu time spent up to now is 20.1 secs Computing kpt #: 67 total cpu time spent up to now is 20.4 secs Computing kpt #: 68 total cpu time spent up to now is 20.6 secs Computing kpt #: 69 total cpu time spent up to now is 20.9 secs Computing kpt #: 70 total cpu time spent up to now is 21.1 secs Computing kpt #: 71 total cpu time spent up to now is 21.4 secs Computing kpt #: 72 total cpu time spent up to now is 21.6 secs Computing kpt #: 73 total cpu time spent up to now is 21.8 secs Computing kpt #: 74 total cpu time spent up to now is 22.1 secs Computing kpt #: 75 total cpu time spent up to now is 22.3 secs Computing kpt #: 76 total cpu time spent up to now is 22.6 secs Computing kpt #: 77 total cpu time spent up to now is 22.8 secs Computing kpt #: 78 total cpu time spent up to now is 23.1 secs Computing kpt #: 79 total cpu time spent up to now is 23.3 secs Computing kpt #: 80 total cpu time spent up to now is 23.6 secs Computing kpt #: 81 total cpu time spent up to now is 23.8 secs Computing kpt #: 82 total cpu time spent up to now is 24.1 secs Computing kpt #: 83 total cpu time spent up to now is 24.3 secs Computing kpt #: 84 total cpu time spent up to now is 24.6 secs Computing kpt #: 85 total cpu time spent up to now is 24.8 secs Computing kpt #: 86 total cpu time spent up to now is 25.1 secs Computing kpt #: 87 total cpu time spent up to now is 25.4 secs Computing kpt #: 88 total cpu time spent up to now is 25.6 secs Computing kpt #: 89 total cpu time spent up to now is 25.9 secs Computing kpt #: 90 total cpu time spent up to now is 26.1 secs Computing kpt #: 91 total cpu time spent up to now is 26.4 secs Computing kpt #: 92 total cpu time spent up to now is 26.6 secs Computing kpt #: 93 total cpu time spent up to now is 26.9 secs Computing kpt #: 94 total cpu time spent up to now is 27.1 secs Computing kpt #: 95 total cpu time spent up to now is 27.4 secs Computing kpt #: 96 total cpu time spent up to now is 27.6 secs Computing kpt #: 97 total cpu time spent up to now is 27.9 secs Computing kpt #: 98 total cpu time spent up to now is 28.1 secs Computing kpt #: 99 total cpu time spent up to now is 28.4 secs Computing kpt #: 100 total cpu time spent up to now is 28.6 secs Computing kpt #: 101 total cpu time spent up to now is 28.9 secs Computing kpt #: 102 total cpu time spent up to now is 29.2 secs Computing kpt #: 103 total cpu time spent up to now is 29.4 secs Computing kpt #: 104 total cpu time spent up to now is 29.7 secs Computing kpt #: 105 total cpu time spent up to now is 29.9 secs Computing kpt #: 106 total cpu time spent up to now is 30.2 secs Computing kpt #: 107 total cpu time spent up to now is 30.4 secs Computing kpt #: 108 total cpu time spent up to now is 30.7 secs Computing kpt #: 109 total cpu time spent up to now is 30.9 secs Computing kpt #: 110 total cpu time spent up to now is 31.2 secs Computing kpt #: 111 total cpu time spent up to now is 31.4 secs Computing kpt #: 112 total cpu time spent up to now is 31.7 secs Computing kpt #: 113 total cpu time spent up to now is 31.9 secs Computing kpt #: 114 total cpu time spent up to now is 32.1 secs Computing kpt #: 115 total cpu time spent up to now is 32.4 secs Computing kpt #: 116 total cpu time spent up to now is 32.6 secs Computing kpt #: 117 total cpu time spent up to now is 32.9 secs Computing kpt #: 118 total cpu time spent up to now is 33.1 secs Computing kpt #: 119 total cpu time spent up to now is 33.4 secs Computing kpt #: 120 total cpu time spent up to now is 33.6 secs Computing kpt #: 121 total cpu time spent up to now is 33.9 secs Computing kpt #: 122 total cpu time spent up to now is 34.1 secs Computing kpt #: 123 total cpu time spent up to now is 34.4 secs Computing kpt #: 124 total cpu time spent up to now is 34.7 secs Computing kpt #: 125 total cpu time spent up to now is 34.9 secs Computing kpt #: 126 total cpu time spent up to now is 35.2 secs Computing kpt #: 127 total cpu time spent up to now is 35.4 secs Computing kpt #: 128 total cpu time spent up to now is 35.7 secs Computing kpt #: 129 total cpu time spent up to now is 36.0 secs Computing kpt #: 130 total cpu time spent up to now is 36.2 secs Computing kpt #: 131 total cpu time spent up to now is 36.5 secs Computing kpt #: 132 total cpu time spent up to now is 36.8 secs Computing kpt #: 133 total cpu time spent up to now is 37.0 secs Computing kpt #: 134 total cpu time spent up to now is 37.3 secs Computing kpt #: 135 total cpu time spent up to now is 37.5 secs Computing kpt #: 136 total cpu time spent up to now is 37.8 secs Computing kpt #: 137 total cpu time spent up to now is 38.0 secs Computing kpt #: 138 total cpu time spent up to now is 38.3 secs Computing kpt #: 139 total cpu time spent up to now is 38.5 secs Computing kpt #: 140 total cpu time spent up to now is 38.8 secs Computing kpt #: 141 total cpu time spent up to now is 39.0 secs Computing kpt #: 142 total cpu time spent up to now is 39.3 secs Computing kpt #: 143 total cpu time spent up to now is 39.5 secs Computing kpt #: 144 total cpu time spent up to now is 39.8 secs Computing kpt #: 145 total cpu time spent up to now is 40.0 secs Computing kpt #: 146 total cpu time spent up to now is 40.2 secs Computing kpt #: 147 total cpu time spent up to now is 40.5 secs Computing kpt #: 148 total cpu time spent up to now is 40.7 secs Computing kpt #: 149 total cpu time spent up to now is 41.0 secs Computing kpt #: 150 total cpu time spent up to now is 41.2 secs Computing kpt #: 151 total cpu time spent up to now is 41.5 secs Computing kpt #: 152 total cpu time spent up to now is 41.7 secs Computing kpt #: 153 total cpu time spent up to now is 42.0 secs Computing kpt #: 154 total cpu time spent up to now is 42.2 secs Computing kpt #: 155 total cpu time spent up to now is 42.5 secs Computing kpt #: 156 total cpu time spent up to now is 42.7 secs Computing kpt #: 157 total cpu time spent up to now is 43.0 secs Computing kpt #: 158 total cpu time spent up to now is 43.2 secs Computing kpt #: 159 total cpu time spent up to now is 43.5 secs Computing kpt #: 160 total cpu time spent up to now is 43.8 secs Computing kpt #: 161 total cpu time spent up to now is 44.0 secs Computing kpt #: 162 total cpu time spent up to now is 44.3 secs Computing kpt #: 163 total cpu time spent up to now is 44.6 secs Computing kpt #: 164 total cpu time spent up to now is 44.8 secs Computing kpt #: 165 total cpu time spent up to now is 45.1 secs Computing kpt #: 166 total cpu time spent up to now is 45.4 secs Computing kpt #: 167 total cpu time spent up to now is 45.7 secs Computing kpt #: 168 total cpu time spent up to now is 45.9 secs Computing kpt #: 169 total cpu time spent up to now is 46.2 secs Computing kpt #: 170 total cpu time spent up to now is 46.5 secs Computing kpt #: 171 total cpu time spent up to now is 46.7 secs Computing kpt #: 172 total cpu time spent up to now is 47.0 secs Computing kpt #: 173 total cpu time spent up to now is 47.2 secs Computing kpt #: 174 total cpu time spent up to now is 47.5 secs Computing kpt #: 175 total cpu time spent up to now is 47.7 secs Computing kpt #: 176 total cpu time spent up to now is 48.0 secs Computing kpt #: 177 total cpu time spent up to now is 48.2 secs Computing kpt #: 178 total cpu time spent up to now is 48.4 secs Computing kpt #: 179 total cpu time spent up to now is 48.7 secs Computing kpt #: 180 total cpu time spent up to now is 48.9 secs Computing kpt #: 181 total cpu time spent up to now is 49.2 secs Computing kpt #: 182 total cpu time spent up to now is 49.4 secs Computing kpt #: 183 total cpu time spent up to now is 49.6 secs Computing kpt #: 184 total cpu time spent up to now is 49.9 secs Computing kpt #: 185 total cpu time spent up to now is 50.1 secs Computing kpt #: 186 total cpu time spent up to now is 50.3 secs Computing kpt #: 187 total cpu time spent up to now is 50.5 secs Computing kpt #: 188 total cpu time spent up to now is 50.8 secs Computing kpt #: 189 total cpu time spent up to now is 51.0 secs Computing kpt #: 190 total cpu time spent up to now is 51.2 secs Computing kpt #: 191 total cpu time spent up to now is 51.4 secs Computing kpt #: 192 total cpu time spent up to now is 51.7 secs Computing kpt #: 193 total cpu time spent up to now is 51.9 secs Computing kpt #: 194 total cpu time spent up to now is 52.1 secs Computing kpt #: 195 total cpu time spent up to now is 52.3 secs Computing kpt #: 196 total cpu time spent up to now is 52.5 secs Computing kpt #: 197 total cpu time spent up to now is 52.7 secs Computing kpt #: 198 total cpu time spent up to now is 53.0 secs Computing kpt #: 199 total cpu time spent up to now is 53.2 secs Computing kpt #: 200 total cpu time spent up to now is 53.4 secs Computing kpt #: 201 total cpu time spent up to now is 53.7 secs Computing kpt #: 202 total cpu time spent up to now is 53.9 secs Computing kpt #: 203 total cpu time spent up to now is 54.2 secs Computing kpt #: 204 total cpu time spent up to now is 54.4 secs Computing kpt #: 205 total cpu time spent up to now is 54.7 secs Computing kpt #: 206 total cpu time spent up to now is 54.9 secs Computing kpt #: 207 total cpu time spent up to now is 55.2 secs Computing kpt #: 208 total cpu time spent up to now is 55.4 secs Computing kpt #: 209 total cpu time spent up to now is 55.7 secs Computing kpt #: 210 total cpu time spent up to now is 55.9 secs Computing kpt #: 211 total cpu time spent up to now is 56.2 secs Computing kpt #: 212 total cpu time spent up to now is 56.4 secs Computing kpt #: 213 total cpu time spent up to now is 56.7 secs Computing kpt #: 214 total cpu time spent up to now is 56.9 secs Computing kpt #: 215 total cpu time spent up to now is 57.2 secs Computing kpt #: 216 total cpu time spent up to now is 57.4 secs Computing kpt #: 217 total cpu time spent up to now is 57.7 secs Computing kpt #: 218 total cpu time spent up to now is 57.9 secs Computing kpt #: 219 total cpu time spent up to now is 58.2 secs Computing kpt #: 220 total cpu time spent up to now is 58.4 secs Computing kpt #: 221 total cpu time spent up to now is 58.6 secs Computing kpt #: 222 total cpu time spent up to now is 58.9 secs Computing kpt #: 223 total cpu time spent up to now is 59.1 secs Computing kpt #: 224 total cpu time spent up to now is 59.3 secs Computing kpt #: 225 total cpu time spent up to now is 59.5 secs Computing kpt #: 226 total cpu time spent up to now is 59.7 secs Computing kpt #: 227 total cpu time spent up to now is 59.9 secs Computing kpt #: 228 total cpu time spent up to now is 60.1 secs Computing kpt #: 229 total cpu time spent up to now is 60.3 secs Computing kpt #: 230 total cpu time spent up to now is 60.5 secs Computing kpt #: 231 total cpu time spent up to now is 60.7 secs Computing kpt #: 232 total cpu time spent up to now is 60.9 secs Computing kpt #: 233 total cpu time spent up to now is 61.1 secs Computing kpt #: 234 total cpu time spent up to now is 61.3 secs Computing kpt #: 235 total cpu time spent up to now is 61.5 secs Computing kpt #: 236 total cpu time spent up to now is 61.7 secs Computing kpt #: 237 total cpu time spent up to now is 61.9 secs Computing kpt #: 238 total cpu time spent up to now is 62.1 secs Computing kpt #: 239 total cpu time spent up to now is 62.3 secs Computing kpt #: 240 total cpu time spent up to now is 62.5 secs Computing kpt #: 241 total cpu time spent up to now is 62.6 secs Computing kpt #: 242 total cpu time spent up to now is 62.8 secs Computing kpt #: 243 total cpu time spent up to now is 63.0 secs Computing kpt #: 244 total cpu time spent up to now is 63.2 secs Computing kpt #: 245 total cpu time spent up to now is 63.4 secs Computing kpt #: 246 total cpu time spent up to now is 63.6 secs Computing kpt #: 247 total cpu time spent up to now is 63.8 secs Computing kpt #: 248 total cpu time spent up to now is 64.0 secs Computing kpt #: 249 total cpu time spent up to now is 64.2 secs Computing kpt #: 250 total cpu time spent up to now is 64.4 secs Computing kpt #: 251 total cpu time spent up to now is 64.6 secs Computing kpt #: 252 total cpu time spent up to now is 64.8 secs Computing kpt #: 253 total cpu time spent up to now is 65.0 secs Computing kpt #: 254 total cpu time spent up to now is 65.2 secs Computing kpt #: 255 total cpu time spent up to now is 65.4 secs Computing kpt #: 256 total cpu time spent up to now is 65.6 secs Computing kpt #: 257 total cpu time spent up to now is 65.8 secs Computing kpt #: 258 total cpu time spent up to now is 66.0 secs Computing kpt #: 259 total cpu time spent up to now is 66.2 secs Computing kpt #: 260 total cpu time spent up to now is 66.4 secs Computing kpt #: 261 total cpu time spent up to now is 66.6 secs Computing kpt #: 262 total cpu time spent up to now is 66.8 secs Computing kpt #: 263 total cpu time spent up to now is 67.0 secs Computing kpt #: 264 total cpu time spent up to now is 67.2 secs Computing kpt #: 265 total cpu time spent up to now is 67.5 secs Computing kpt #: 266 total cpu time spent up to now is 67.7 secs Computing kpt #: 267 total cpu time spent up to now is 68.0 secs Computing kpt #: 268 total cpu time spent up to now is 68.3 secs Computing kpt #: 269 total cpu time spent up to now is 68.6 secs Computing kpt #: 270 total cpu time spent up to now is 68.9 secs Computing kpt #: 271 total cpu time spent up to now is 69.2 secs Computing kpt #: 272 total cpu time spent up to now is 69.6 secs Computing kpt #: 273 total cpu time spent up to now is 69.9 secs Computing kpt #: 274 total cpu time spent up to now is 70.3 secs Computing kpt #: 275 total cpu time spent up to now is 70.7 secs Computing kpt #: 276 total cpu time spent up to now is 71.1 secs Computing kpt #: 277 total cpu time spent up to now is 71.6 secs Computing kpt #: 278 total cpu time spent up to now is 72.1 secs Computing kpt #: 279 total cpu time spent up to now is 72.5 secs Computing kpt #: 280 total cpu time spent up to now is 72.9 secs Computing kpt #: 281 total cpu time spent up to now is 73.3 secs Computing kpt #: 282 total cpu time spent up to now is 73.7 secs Computing kpt #: 283 total cpu time spent up to now is 74.1 secs Computing kpt #: 284 total cpu time spent up to now is 74.5 secs Computing kpt #: 285 total cpu time spent up to now is 74.8 secs Computing kpt #: 286 total cpu time spent up to now is 75.2 secs Computing kpt #: 287 total cpu time spent up to now is 75.6 secs Computing kpt #: 288 total cpu time spent up to now is 75.9 secs Computing kpt #: 289 total cpu time spent up to now is 76.3 secs Computing kpt #: 290 total cpu time spent up to now is 76.7 secs Computing kpt #: 291 total cpu time spent up to now is 77.1 secs Computing kpt #: 292 total cpu time spent up to now is 77.5 secs Computing kpt #: 293 total cpu time spent up to now is 78.1 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.8 secs Computing kpt #: 295 total cpu time spent up to now is 79.2 secs Computing kpt #: 296 total cpu time spent up to now is 79.6 secs Computing kpt #: 297 total cpu time spent up to now is 79.9 secs Computing kpt #: 298 total cpu time spent up to now is 80.2 secs Computing kpt #: 299 total cpu time spent up to now is 80.6 secs Computing kpt #: 300 total cpu time spent up to now is 80.9 secs Computing kpt #: 301 total cpu time spent up to now is 81.2 secs Computing kpt #: 302 total cpu time spent up to now is 81.4 secs Computing kpt #: 303 total cpu time spent up to now is 81.8 secs Computing kpt #: 304 total cpu time spent up to now is 82.2 secs Computing kpt #: 305 total cpu time spent up to now is 82.6 secs Computing kpt #: 306 total cpu time spent up to now is 83.0 secs Computing kpt #: 307 total cpu time spent up to now is 83.4 secs Computing kpt #: 308 total cpu time spent up to now is 83.8 secs Computing kpt #: 309 total cpu time spent up to now is 84.3 secs Computing kpt #: 310 total cpu time spent up to now is 84.7 secs Computing kpt #: 311 total cpu time spent up to now is 85.1 secs Computing kpt #: 312 total cpu time spent up to now is 85.5 secs Computing kpt #: 313 total cpu time spent up to now is 85.8 secs Computing kpt #: 314 total cpu time spent up to now is 86.2 secs Computing kpt #: 315 total cpu time spent up to now is 86.4 secs Computing kpt #: 316 total cpu time spent up to now is 86.8 secs Computing kpt #: 317 total cpu time spent up to now is 87.0 secs Computing kpt #: 318 total cpu time spent up to now is 87.3 secs Computing kpt #: 319 total cpu time spent up to now is 87.6 secs Computing kpt #: 320 total cpu time spent up to now is 87.9 secs Computing kpt #: 321 total cpu time spent up to now is 88.1 secs Computing kpt #: 322 total cpu time spent up to now is 88.4 secs Computing kpt #: 323 total cpu time spent up to now is 88.6 secs Computing kpt #: 324 total cpu time spent up to now is 88.8 secs Computing kpt #: 325 total cpu time spent up to now is 89.1 secs Computing kpt #: 326 total cpu time spent up to now is 89.3 secs Computing kpt #: 327 total cpu time spent up to now is 89.5 secs Computing kpt #: 328 total cpu time spent up to now is 89.8 secs Computing kpt #: 329 total cpu time spent up to now is 90.0 secs Computing kpt #: 330 total cpu time spent up to now is 90.2 secs Computing kpt #: 331 total cpu time spent up to now is 90.4 secs Computing kpt #: 332 total cpu time spent up to now is 90.7 secs Computing kpt #: 333 total cpu time spent up to now is 90.9 secs Computing kpt #: 334 total cpu time spent up to now is 91.1 secs Computing kpt #: 335 total cpu time spent up to now is 91.4 secs Computing kpt #: 336 total cpu time spent up to now is 91.6 secs Computing kpt #: 337 total cpu time spent up to now is 91.9 secs Computing kpt #: 338 total cpu time spent up to now is 92.1 secs Computing kpt #: 339 total cpu time spent up to now is 92.4 secs Computing kpt #: 340 total cpu time spent up to now is 92.6 secs Computing kpt #: 341 total cpu time spent up to now is 92.9 secs Computing kpt #: 342 total cpu time spent up to now is 93.1 secs Computing kpt #: 343 total cpu time spent up to now is 93.4 secs Computing kpt #: 344 total cpu time spent up to now is 93.6 secs Computing kpt #: 345 total cpu time spent up to now is 93.8 secs Computing kpt #: 346 total cpu time spent up to now is 94.1 secs Computing kpt #: 347 total cpu time spent up to now is 94.3 secs Computing kpt #: 348 total cpu time spent up to now is 94.5 secs Computing kpt #: 349 total cpu time spent up to now is 94.8 secs Computing kpt #: 350 total cpu time spent up to now is 95.0 secs Computing kpt #: 351 total cpu time spent up to now is 95.2 secs Computing kpt #: 352 total cpu time spent up to now is 95.5 secs Computing kpt #: 353 total cpu time spent up to now is 95.8 secs Computing kpt #: 354 total cpu time spent up to now is 96.0 secs Computing kpt #: 355 total cpu time spent up to now is 96.3 secs Computing kpt #: 356 total cpu time spent up to now is 96.5 secs Computing kpt #: 357 total cpu time spent up to now is 96.8 secs Computing kpt #: 358 total cpu time spent up to now is 97.0 secs Computing kpt #: 359 total cpu time spent up to now is 97.3 secs Computing kpt #: 360 total cpu time spent up to now is 97.6 secs Computing kpt #: 361 total cpu time spent up to now is 97.8 secs Computing kpt #: 362 total cpu time spent up to now is 98.1 secs Computing kpt #: 363 total cpu time spent up to now is 98.3 secs Computing kpt #: 364 total cpu time spent up to now is 98.6 secs Computing kpt #: 365 total cpu time spent up to now is 98.8 secs Computing kpt #: 366 total cpu time spent up to now is 99.1 secs Computing kpt #: 367 total cpu time spent up to now is 99.3 secs Computing kpt #: 368 total cpu time spent up to now is 99.6 secs Computing kpt #: 369 total cpu time spent up to now is 99.8 secs Computing kpt #: 370 total cpu time spent up to now is 100.1 secs Computing kpt #: 371 total cpu time spent up to now is 100.3 secs Computing kpt #: 372 total cpu time spent up to now is 100.6 secs Computing kpt #: 373 total cpu time spent up to now is 100.8 secs Computing kpt #: 374 total cpu time spent up to now is 101.1 secs Computing kpt #: 375 total cpu time spent up to now is 101.3 secs Computing kpt #: 376 total cpu time spent up to now is 101.6 secs Computing kpt #: 377 total cpu time spent up to now is 101.8 secs Computing kpt #: 378 total cpu time spent up to now is 102.1 secs Computing kpt #: 379 total cpu time spent up to now is 102.3 secs Computing kpt #: 380 total cpu time spent up to now is 102.6 secs Computing kpt #: 381 total cpu time spent up to now is 102.8 secs Computing kpt #: 382 total cpu time spent up to now is 103.1 secs Computing kpt #: 383 total cpu time spent up to now is 103.3 secs Computing kpt #: 384 total cpu time spent up to now is 103.6 secs Computing kpt #: 385 total cpu time spent up to now is 103.8 secs Computing kpt #: 386 total cpu time spent up to now is 104.0 secs Computing kpt #: 387 total cpu time spent up to now is 104.3 secs Computing kpt #: 388 total cpu time spent up to now is 104.5 secs Computing kpt #: 389 total cpu time spent up to now is 104.8 secs Computing kpt #: 390 total cpu time spent up to now is 105.0 secs Computing kpt #: 391 total cpu time spent up to now is 105.3 secs Computing kpt #: 392 total cpu time spent up to now is 105.5 secs Computing kpt #: 393 total cpu time spent up to now is 105.8 secs Computing kpt #: 394 total cpu time spent up to now is 106.0 secs Computing kpt #: 395 total cpu time spent up to now is 106.3 secs Computing kpt #: 396 total cpu time spent up to now is 106.5 secs Computing kpt #: 397 total cpu time spent up to now is 106.8 secs Computing kpt #: 398 total cpu time spent up to now is 107.0 secs Computing kpt #: 399 total cpu time spent up to now is 107.3 secs Computing kpt #: 400 total cpu time spent up to now is 107.5 secs Computing kpt #: 401 total cpu time spent up to now is 107.8 secs Computing kpt #: 402 total cpu time spent up to now is 108.1 secs Computing kpt #: 403 total cpu time spent up to now is 108.3 secs Computing kpt #: 404 total cpu time spent up to now is 108.6 secs Computing kpt #: 405 total cpu time spent up to now is 108.8 secs Computing kpt #: 406 total cpu time spent up to now is 109.1 secs Computing kpt #: 407 total cpu time spent up to now is 109.3 secs Computing kpt #: 408 total cpu time spent up to now is 109.6 secs Computing kpt #: 409 total cpu time spent up to now is 109.9 secs Computing kpt #: 410 total cpu time spent up to now is 110.2 secs Computing kpt #: 411 total cpu time spent up to now is 110.4 secs Computing kpt #: 412 total cpu time spent up to now is 110.7 secs Computing kpt #: 413 total cpu time spent up to now is 111.0 secs Computing kpt #: 414 total cpu time spent up to now is 111.3 secs Computing kpt #: 415 total cpu time spent up to now is 111.6 secs Computing kpt #: 416 total cpu time spent up to now is 111.9 secs Computing kpt #: 417 total cpu time spent up to now is 112.1 secs Computing kpt #: 418 total cpu time spent up to now is 112.4 secs Computing kpt #: 419 total cpu time spent up to now is 112.7 secs Computing kpt #: 420 total cpu time spent up to now is 113.0 secs Computing kpt #: 421 total cpu time spent up to now is 113.3 secs Computing kpt #: 422 total cpu time spent up to now is 113.6 secs Computing kpt #: 423 total cpu time spent up to now is 113.9 secs Computing kpt #: 424 total cpu time spent up to now is 114.1 secs Computing kpt #: 425 total cpu time spent up to now is 114.4 secs Computing kpt #: 426 total cpu time spent up to now is 114.7 secs Computing kpt #: 427 total cpu time spent up to now is 115.1 secs Computing kpt #: 428 total cpu time spent up to now is 115.4 secs Computing kpt #: 429 total cpu time spent up to now is 115.7 secs Computing kpt #: 430 total cpu time spent up to now is 116.0 secs Computing kpt #: 431 total cpu time spent up to now is 116.3 secs Computing kpt #: 432 total cpu time spent up to now is 116.6 secs Computing kpt #: 433 total cpu time spent up to now is 116.9 secs Computing kpt #: 434 total cpu time spent up to now is 117.1 secs Computing kpt #: 435 total cpu time spent up to now is 117.4 secs Computing kpt #: 436 total cpu time spent up to now is 117.7 secs Computing kpt #: 437 total cpu time spent up to now is 118.0 secs Computing kpt #: 438 total cpu time spent up to now is 118.3 secs Computing kpt #: 439 total cpu time spent up to now is 118.6 secs Computing kpt #: 440 total cpu time spent up to now is 118.8 secs Computing kpt #: 441 total cpu time spent up to now is 119.1 secs Computing kpt #: 442 total cpu time spent up to now is 119.3 secs Computing kpt #: 443 total cpu time spent up to now is 119.6 secs Computing kpt #: 444 total cpu time spent up to now is 119.8 secs Computing kpt #: 445 total cpu time spent up to now is 120.1 secs Computing kpt #: 446 total cpu time spent up to now is 120.3 secs Computing kpt #: 447 total cpu time spent up to now is 120.6 secs Computing kpt #: 448 total cpu time spent up to now is 120.8 secs Computing kpt #: 449 total cpu time spent up to now is 121.0 secs Computing kpt #: 450 total cpu time spent up to now is 121.3 secs Computing kpt #: 451 total cpu time spent up to now is 121.5 secs Computing kpt #: 452 total cpu time spent up to now is 121.7 secs Computing kpt #: 453 total cpu time spent up to now is 121.9 secs Computing kpt #: 454 total cpu time spent up to now is 122.2 secs Computing kpt #: 455 total cpu time spent up to now is 122.4 secs Computing kpt #: 456 total cpu time spent up to now is 122.7 secs Computing kpt #: 457 total cpu time spent up to now is 122.9 secs Computing kpt #: 458 total cpu time spent up to now is 123.2 secs Computing kpt #: 459 total cpu time spent up to now is 123.4 secs Computing kpt #: 460 total cpu time spent up to now is 123.7 secs Computing kpt #: 461 total cpu time spent up to now is 123.9 secs Computing kpt #: 462 total cpu time spent up to now is 124.1 secs Computing kpt #: 463 total cpu time spent up to now is 124.4 secs Computing kpt #: 464 total cpu time spent up to now is 124.6 secs Computing kpt #: 465 total cpu time spent up to now is 124.9 secs Computing kpt #: 466 total cpu time spent up to now is 125.1 secs Computing kpt #: 467 total cpu time spent up to now is 125.4 secs Computing kpt #: 468 total cpu time spent up to now is 125.6 secs Computing kpt #: 469 total cpu time spent up to now is 125.9 secs Computing kpt #: 470 total cpu time spent up to now is 126.2 secs Computing kpt #: 471 total cpu time spent up to now is 126.4 secs Computing kpt #: 472 total cpu time spent up to now is 126.7 secs Computing kpt #: 473 total cpu time spent up to now is 126.9 secs Computing kpt #: 474 total cpu time spent up to now is 127.2 secs Computing kpt #: 475 total cpu time spent up to now is 127.4 secs Computing kpt #: 476 total cpu time spent up to now is 127.7 secs Computing kpt #: 477 total cpu time spent up to now is 128.0 secs Computing kpt #: 478 total cpu time spent up to now is 128.2 secs Computing kpt #: 479 total cpu time spent up to now is 128.5 secs Computing kpt #: 480 total cpu time spent up to now is 128.7 secs Computing kpt #: 481 total cpu time spent up to now is 129.0 secs Computing kpt #: 482 total cpu time spent up to now is 129.3 secs Computing kpt #: 483 total cpu time spent up to now is 129.5 secs Computing kpt #: 484 total cpu time spent up to now is 129.8 secs Computing kpt #: 485 total cpu time spent up to now is 130.0 secs Computing kpt #: 486 total cpu time spent up to now is 130.3 secs Computing kpt #: 487 total cpu time spent up to now is 130.5 secs Computing kpt #: 488 total cpu time spent up to now is 130.8 secs Computing kpt #: 489 total cpu time spent up to now is 131.0 secs Computing kpt #: 490 total cpu time spent up to now is 131.2 secs Computing kpt #: 491 total cpu time spent up to now is 131.5 secs Computing kpt #: 492 total cpu time spent up to now is 131.7 secs Computing kpt #: 493 total cpu time spent up to now is 132.0 secs Computing kpt #: 494 total cpu time spent up to now is 132.2 secs Computing kpt #: 495 total cpu time spent up to now is 132.4 secs Computing kpt #: 496 total cpu time spent up to now is 132.7 secs Computing kpt #: 497 total cpu time spent up to now is 132.9 secs Computing kpt #: 498 total cpu time spent up to now is 133.1 secs Computing kpt #: 499 total cpu time spent up to now is 133.4 secs Computing kpt #: 500 total cpu time spent up to now is 133.6 secs Computing kpt #: 501 total cpu time spent up to now is 133.8 secs Computing kpt #: 502 total cpu time spent up to now is 134.0 secs Computing kpt #: 503 total cpu time spent up to now is 134.3 secs Computing kpt #: 504 total cpu time spent up to now is 134.5 secs Computing kpt #: 505 total cpu time spent up to now is 134.7 secs Computing kpt #: 506 total cpu time spent up to now is 134.9 secs Computing kpt #: 507 total cpu time spent up to now is 135.2 secs Computing kpt #: 508 total cpu time spent up to now is 135.4 secs Computing kpt #: 509 total cpu time spent up to now is 135.6 secs Computing kpt #: 510 total cpu time spent up to now is 135.7 secs Computing kpt #: 511 total cpu time spent up to now is 135.9 secs Computing kpt #: 512 total cpu time spent up to now is 136.1 secs Computing kpt #: 513 total cpu time spent up to now is 136.3 secs Computing kpt #: 514 total cpu time spent up to now is 136.5 secs Computing kpt #: 515 total cpu time spent up to now is 136.7 secs Computing kpt #: 516 total cpu time spent up to now is 136.9 secs Computing kpt #: 517 total cpu time spent up to now is 137.1 secs Computing kpt #: 518 total cpu time spent up to now is 137.3 secs Computing kpt #: 519 total cpu time spent up to now is 137.5 secs Computing kpt #: 520 total cpu time spent up to now is 137.7 secs Computing kpt #: 521 total cpu time spent up to now is 137.9 secs Computing kpt #: 522 total cpu time spent up to now is 138.1 secs Computing kpt #: 523 total cpu time spent up to now is 138.3 secs Computing kpt #: 524 total cpu time spent up to now is 138.5 secs Computing kpt #: 525 total cpu time spent up to now is 138.6 secs Computing kpt #: 526 total cpu time spent up to now is 138.8 secs Computing kpt #: 527 total cpu time spent up to now is 139.0 secs Computing kpt #: 528 total cpu time spent up to now is 139.2 secs Computing kpt #: 529 total cpu time spent up to now is 139.4 secs Computing kpt #: 530 total cpu time spent up to now is 139.6 secs Computing kpt #: 531 total cpu time spent up to now is 139.8 secs Computing kpt #: 532 total cpu time spent up to now is 140.0 secs Computing kpt #: 533 total cpu time spent up to now is 140.2 secs Computing kpt #: 534 total cpu time spent up to now is 140.5 secs Computing kpt #: 535 total cpu time spent up to now is 140.7 secs Computing kpt #: 536 total cpu time spent up to now is 140.9 secs Computing kpt #: 537 total cpu time spent up to now is 141.1 secs Computing kpt #: 538 total cpu time spent up to now is 141.3 secs Computing kpt #: 539 total cpu time spent up to now is 141.5 secs Computing kpt #: 540 total cpu time spent up to now is 141.8 secs Computing kpt #: 541 total cpu time spent up to now is 142.0 secs Computing kpt #: 542 total cpu time spent up to now is 142.2 secs Computing kpt #: 543 total cpu time spent up to now is 142.5 secs Computing kpt #: 544 total cpu time spent up to now is 142.7 secs Computing kpt #: 545 total cpu time spent up to now is 142.9 secs Computing kpt #: 546 total cpu time spent up to now is 143.2 secs Computing kpt #: 547 total cpu time spent up to now is 143.4 secs Computing kpt #: 548 total cpu time spent up to now is 143.7 secs Computing kpt #: 549 total cpu time spent up to now is 143.9 secs Computing kpt #: 550 total cpu time spent up to now is 144.2 secs Computing kpt #: 551 total cpu time spent up to now is 144.4 secs Computing kpt #: 552 total cpu time spent up to now is 144.7 secs Computing kpt #: 553 total cpu time spent up to now is 144.9 secs Computing kpt #: 554 total cpu time spent up to now is 145.2 secs Computing kpt #: 555 total cpu time spent up to now is 145.5 secs Computing kpt #: 556 total cpu time spent up to now is 145.7 secs Computing kpt #: 557 total cpu time spent up to now is 146.0 secs Computing kpt #: 558 total cpu time spent up to now is 146.2 secs ethr = 3.57E-11, avg # of iterations = 25.3 total cpu time spent up to now is 146.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1219 PWs) bands (ev): -12.4697 -12.4697 -9.3215 -9.3215 -5.5764 -5.5764 -2.0292 -2.0292 0.0681 0.0681 0.3112 0.3112 1.8069 1.8069 4.2035 4.2035 5.3121 5.3121 6.1674 6.1674 8.0839 8.0839 10.0548 10.0548 10.1997 10.1997 12.0826 12.0826 16.1484 16.1484 16.4757 16.4757 19.3834 19.3834 20.7196 20.7196 k = 0.0039 0.0102-0.0000 ( 1219 PWs) bands (ev): -12.4687 -12.4687 -9.3207 -9.3207 -5.5755 -5.5755 -2.0289 -2.0289 0.0681 0.0681 0.3113 0.3113 1.8071 1.8071 4.2036 4.2036 5.3072 5.3073 6.1629 6.1629 8.0843 8.0843 10.0504 10.0515 10.1998 10.2008 12.0791 12.0792 16.1548 16.1549 16.4789 16.4791 19.3861 19.3862 20.6946 20.6976 k = 0.0079 0.0204-0.0000 ( 1219 PWs) bands (ev): -12.4658 -12.4658 -9.3184 -9.3184 -5.5730 -5.5729 -2.0279 -2.0279 0.0681 0.0681 0.3117 0.3117 1.8075 1.8076 4.2038 4.2039 5.2926 5.2928 6.1495 6.1495 8.0855 8.0857 10.0386 10.0406 10.2013 10.2031 12.0688 12.0689 16.1740 16.1742 16.4885 16.4889 19.3944 19.3946 20.6387 20.6428 k = 0.0118 0.0306-0.0000 ( 1219 PWs) bands (ev): -12.4609 -12.4609 -9.3146 -9.3145 -5.5688 -5.5687 -2.0263 -2.0263 0.0680 0.0680 0.3124 0.3124 1.8082 1.8083 4.2041 4.2042 5.2684 5.2687 6.1273 6.1274 8.0877 8.0879 10.0199 10.0226 10.2037 10.2061 12.0518 12.0519 16.2058 16.2062 16.5044 16.5049 19.4082 19.4085 20.5682 20.5727 k = 0.0157 0.0408-0.0000 ( 1219 PWs) bands (ev): -12.4540 -12.4540 -9.3092 -9.3092 -5.5629 -5.5628 -2.0242 -2.0242 0.0679 0.0679 0.3133 0.3133 1.8091 1.8093 4.2045 4.2047 5.2349 5.2353 6.0966 6.0967 8.0907 8.0910 9.9948 9.9979 10.2066 10.2094 12.0280 12.0282 16.2500 16.2505 16.5262 16.5269 19.4276 19.4281 20.4899 20.4944 k = 0.0197 0.0510-0.0000 ( 1223 PWs) bands (ev): -12.4452 -12.4452 -9.3023 -9.3023 -5.5553 -5.5552 -2.0214 -2.0214 0.0677 0.0677 0.3144 0.3144 1.8104 1.8106 4.2048 4.2050 5.1925 5.1929 6.0575 6.0577 8.0946 8.0949 9.9637 9.9670 10.2097 10.2126 11.9979 11.9980 16.3062 16.3069 16.5535 16.5544 19.4527 19.4533 20.4063 20.4107 k = 0.0236 0.0613-0.0000 ( 1223 PWs) bands (ev): -12.4344 -12.4344 -9.2940 -9.2939 -5.5460 -5.5459 -2.0181 -2.0181 0.0675 0.0675 0.3156 0.3157 1.8118 1.8121 4.2051 4.2054 5.1415 5.1420 6.0108 6.0110 8.0993 8.0997 9.9269 9.9303 10.2129 10.2159 11.9614 11.9616 16.3740 16.3748 16.5859 16.5869 19.4837 19.4843 20.3188 20.3230 k = 0.0275 0.0715-0.0000 ( 1223 PWs) bands (ev): -12.4217 -12.4217 -9.2841 -9.2840 -5.5351 -5.5349 -2.0142 -2.0142 0.0672 0.0672 0.3169 0.3170 1.8135 1.8138 4.2052 4.2055 5.0824 5.0830 5.9567 5.9569 8.1048 8.1053 9.8846 9.8881 10.2161 10.2190 11.9189 11.9192 16.4528 16.4537 16.6227 16.6239 19.5205 19.5212 20.2282 20.2321 k = 0.0315 0.0817-0.0000 ( 1223 PWs) bands (ev): -12.4071 -12.4071 -9.2727 -9.2726 -5.5225 -5.5222 -2.0099 -2.0099 0.0668 0.0668 0.3182 0.3183 1.8153 1.8157 4.2049 4.2052 5.0158 5.0165 5.8958 5.8961 8.1112 8.1117 9.8373 9.8407 10.2191 10.2219 11.8708 11.8710 16.5420 16.5430 16.6633 16.6646 19.5634 19.5642 20.1351 20.1387 k = 0.0354 0.0919-0.0000 ( 1221 PWs) bands (ev): -12.3905 -12.3905 -9.2598 -9.2597 -5.5082 -5.5079 -2.0051 -2.0051 0.0663 0.0663 0.3194 0.3195 1.8174 1.8178 4.2040 4.2044 4.9421 4.9429 5.8288 5.8291 8.1183 8.1189 9.7849 9.7882 10.2221 10.2247 11.8172 11.8176 16.6409 16.6420 16.7069 16.7084 19.6125 19.6133 20.0401 20.0435 k = 0.0393 0.1021-0.0000 ( 1217 PWs) bands (ev): -12.3720 -12.3720 -9.2455 -9.2454 -5.4923 -5.4920 -1.9999 -1.9999 0.0657 0.0657 0.3204 0.3206 1.8195 1.8199 4.2023 4.2028 4.8623 4.8632 5.7564 5.7568 8.1263 8.1269 9.7281 9.7313 10.2250 10.2275 11.7586 11.7589 16.7488 16.7498 16.7528 16.7547 19.6677 19.6685 19.9437 19.9468 k = 0.0433 0.1123-0.0000 ( 1217 PWs) bands (ev): -12.3516 -12.3516 -9.2297 -9.2296 -5.4747 -5.4744 -1.9944 -1.9944 0.0649 0.0650 0.3211 0.3213 1.8217 1.8222 4.1993 4.1999 4.7769 4.7778 5.6793 5.6798 8.1349 8.1357 9.6670 9.6702 10.2277 10.2300 11.6951 11.6955 16.8003 16.8019 16.8650 16.8664 19.7291 19.7298 19.8464 19.8491 k = 0.0472 0.1225-0.0000 ( 1217 PWs) bands (ev): -12.3292 -12.3292 -9.2125 -9.2124 -5.4555 -5.4551 -1.9887 -1.9887 0.0640 0.0640 0.3213 0.3215 1.8239 1.8244 4.1948 4.1954 4.6865 4.6875 5.5986 5.5992 8.1443 8.1451 9.6020 9.6051 10.2303 10.2325 11.6273 11.6277 16.8485 16.8503 16.9885 16.9900 19.7481 19.7509 19.7967 19.7977 k = 0.0511 0.1327-0.0000 ( 1221 PWs) bands (ev): -12.3050 -12.3050 -9.1939 -9.1938 -5.4346 -5.4343 -1.9828 -1.9827 0.0629 0.0629 0.3208 0.3210 1.8260 1.8266 4.1881 4.1888 4.5918 4.5930 5.5151 5.5157 8.1543 8.1552 9.5333 9.5363 10.2328 10.2348 11.5551 11.5556 16.8968 16.8987 17.1185 17.1202 19.6503 19.6527 19.8704 19.8711 k = 0.0551 0.1429-0.0000 ( 1221 PWs) bands (ev): -12.2789 -12.2789 -9.1739 -9.1738 -5.4122 -5.4118 -1.9767 -1.9767 0.0615 0.0615 0.3195 0.3198 1.8281 1.8288 4.1786 4.1794 4.4938 4.4950 5.4302 5.4309 8.1650 8.1660 9.4616 9.4645 10.2351 10.2370 11.4796 11.4801 16.9445 16.9464 17.2539 17.2558 19.5531 19.5551 19.9499 19.9506 k = 0.0590 0.1531-0.0000 ( 1217 PWs) bands (ev): -12.2509 -12.2509 -9.1526 -9.1525 -5.3881 -5.3877 -1.9707 -1.9707 0.0599 0.0599 0.3172 0.3175 1.8301 1.8308 4.1655 4.1664 4.3929 4.3943 5.3452 5.3460 8.1763 8.1774 9.3872 9.3899 10.2374 10.2391 11.4008 11.4014 16.9910 16.9929 17.3936 17.3957 19.4572 19.4589 20.0351 20.0356 k = 0.0629 0.1634-0.0000 ( 1217 PWs) bands (ev): -12.2210 -12.2210 -9.1299 -9.1298 -5.3625 -5.3620 -1.9647 -1.9647 0.0580 0.0580 0.3135 0.3139 1.8319 1.8326 4.1476 4.1487 4.2901 4.2916 5.2615 5.2624 8.1882 8.1894 9.3103 9.3130 10.2394 10.2410 11.3192 11.3198 17.0357 17.0377 17.5362 17.5384 19.3637 19.3651 20.1252 20.1255 k = 0.0669 0.1736-0.0000 ( 1219 PWs) bands (ev): -12.1893 -12.1893 -9.1060 -9.1058 -5.3353 -5.3348 -1.9590 -1.9590 0.0558 0.0558 0.3083 0.3087 1.8334 1.8342 4.1238 4.1250 4.1861 4.1877 5.1808 5.1818 8.2005 8.2018 9.2315 9.2341 10.2413 10.2428 11.2350 11.2357 17.0783 17.0803 17.6797 17.6822 19.2738 19.2749 20.2197 20.2197 k = 0.0708 0.1838-0.0000 ( 1215 PWs) bands (ev): -12.1557 -12.1557 -9.0808 -9.0806 -5.3065 -5.3060 -1.9536 -1.9536 0.0532 0.0533 0.3013 0.3017 1.8347 1.8355 4.0816 4.0829 4.0931 4.0941 5.1049 5.1061 8.2133 8.2147 9.1512 9.1537 10.2430 10.2443 11.1489 11.1496 17.1183 17.1203 17.8217 17.8245 19.1901 19.1908 20.3173 20.3176 k = 0.0747 0.1940-0.0000 ( 1209 PWs) bands (ev): -12.1203 -12.1203 -9.0543 -9.0542 -5.2762 -5.2756 -1.9486 -1.9486 0.0503 0.0503 0.2920 0.2924 1.8356 1.8365 3.9775 3.9791 4.0532 4.0546 5.0356 5.0369 8.2265 8.2280 9.0696 9.0721 10.2445 10.2457 11.0612 11.0619 17.1555 17.1576 17.9578 17.9608 19.1161 19.1164 20.4169 20.4176 k = 0.0787 0.2042-0.0000 ( 1213 PWs) bands (ev): -12.0832 -12.0831 -9.0267 -9.0266 -5.2443 -5.2438 -1.9443 -1.9443 0.0470 0.0470 0.2801 0.2806 1.8360 1.8370 3.8742 3.8760 4.0040 4.0054 4.9743 4.9757 8.2399 8.2416 8.9872 8.9895 10.2457 10.2469 10.9720 10.9727 17.1898 17.1917 18.0810 18.0844 19.0579 19.0581 20.5167 20.5178 k = 0.0826 0.2144-0.0000 ( 1217 PWs) bands (ev): -12.0442 -12.0442 -8.9980 -8.9978 -5.2110 -5.2104 -1.9407 -1.9407 0.0432 0.0432 0.2652 0.2658 1.8361 1.8371 3.7729 3.7748 3.9446 3.9461 4.9220 4.9234 8.2536 8.2553 8.9043 8.9066 10.2467 10.2478 10.8820 10.8827 17.2209 17.2228 18.1808 18.1844 19.0259 19.0264 20.6146 20.6162 k = 0.0865 0.2246-0.0000 ( 1217 PWs) bands (ev): -12.0035 -12.0034 -8.9681 -8.9680 -5.1762 -5.1755 -1.9381 -1.9380 0.0389 0.0389 0.2471 0.2477 1.8357 1.8367 3.6741 3.6761 3.8751 3.8766 4.8790 4.8805 8.2673 8.2692 8.8214 8.8237 10.2475 10.2485 10.7915 10.7923 17.2489 17.2508 18.2438 18.2475 19.0335 19.0341 20.7076 20.7099 k = 0.0905 0.2348-0.0000 ( 1213 PWs) bands (ev): -11.9610 -11.9610 -8.9372 -8.9371 -5.1399 -5.1392 -1.9365 -1.9365 0.0342 0.0342 0.2251 0.2257 1.8348 1.8359 3.5785 3.5806 3.7963 3.7979 4.8449 4.8464 8.2811 8.2831 8.7389 8.7411 10.2480 10.2490 10.7012 10.7019 17.2738 17.2757 18.2619 18.2653 19.0884 19.0887 20.7927 20.7956 k = 0.0944 0.2450-0.0000 ( 1219 PWs) bands (ev): -11.9168 -11.9168 -8.9054 -8.9052 -5.1022 -5.1015 -1.9362 -1.9362 0.0289 0.0289 0.1988 0.1995 1.8335 1.8346 3.4868 3.4890 3.7094 3.7110 4.8188 4.8203 8.2947 8.2969 8.6568 8.6589 10.2483 10.2492 10.6108 10.6116 17.2956 17.2975 18.2402 18.2431 19.1843 19.1844 20.8664 20.8698 k = 0.0983 0.2552-0.0000 ( 1219 PWs) bands (ev): -11.8709 -11.8709 -8.8726 -8.8724 -5.0630 -5.0623 -1.9374 -1.9374 0.0230 0.0231 0.1680 0.1687 1.8317 1.8329 3.3997 3.4020 3.6160 3.6176 4.7996 4.8010 8.3080 8.3103 8.5758 8.5779 10.2483 10.2492 10.5215 10.5222 17.3146 17.3163 18.1923 18.1947 19.3071 19.3078 20.9264 20.9302 k = 0.1023 0.2655-0.0000 ( 1215 PWs) bands (ev): -11.8233 -11.8233 -8.8389 -8.8387 -5.0224 -5.0217 -1.9403 -1.9403 0.0166 0.0166 0.1321 0.1329 1.8295 1.8308 3.3178 3.3202 3.5175 3.5191 4.7860 4.7874 8.3209 8.3234 8.4963 8.4983 10.2481 10.2489 10.4334 10.4341 17.3307 17.3324 18.1291 18.1311 19.4457 19.4469 20.9721 20.9761 k = 0.1062 0.2757-0.0000 ( 1223 PWs) bands (ev): -11.7742 -11.7741 -8.8045 -8.8043 -4.9805 -4.9797 -1.9451 -1.9451 0.0094 0.0095 0.0908 0.0917 1.8269 1.8283 3.2413 3.2439 3.4154 3.4170 4.7768 4.7783 8.3330 8.3357 8.4183 8.4203 10.2473 10.2481 10.3470 10.3476 17.3440 17.3456 18.0575 18.0592 19.5921 19.5937 21.0043 21.0085 k = 0.1101 0.2859-0.0000 ( 1227 PWs) bands (ev): -11.7234 -11.7233 -8.7693 -8.7691 -4.9373 -4.9364 -1.9520 -1.9519 0.0015 0.0016 0.0440 0.0449 1.8242 1.8256 3.1709 3.1735 3.3111 3.3126 4.7713 4.7727 8.3415 8.3418 8.3467 8.3473 10.2466 10.2473 10.2629 10.2634 17.3549 17.3565 17.9816 17.9830 19.7416 19.7437 21.0252 21.0293 k = 0.1141 0.2961-0.0000 ( 1227 PWs) bands (ev): -11.6710 -11.6709 -8.7335 -8.7333 -4.8927 -4.8918 -1.9612 -1.9611 -0.0090 -0.0087 -0.0070 -0.0059 1.8213 1.8228 3.1066 3.1093 3.2056 3.2071 4.7686 4.7700 8.2682 8.2700 8.3542 8.3572 10.1814 10.1820 10.2457 10.2463 17.3636 17.3652 17.9039 17.9050 19.8908 19.8934 21.0368 21.0409 k = 0.1180 0.3063-0.0000 ( 1225 PWs) bands (ev): -11.6170 -11.6170 -8.6972 -8.6969 -4.8467 -4.8458 -1.9729 -1.9728 -0.0673 -0.0664 -0.0165 -0.0165 1.8184 1.8200 3.0486 3.0514 3.0999 3.1015 4.7681 4.7695 8.1969 8.1987 8.3627 8.3659 10.1033 10.1039 10.2446 10.2452 17.3702 17.3718 17.8256 17.8265 20.0370 20.0401 21.0410 21.0450 k = 0.1219 0.3165-0.0000 ( 1221 PWs) bands (ev): -11.5616 -11.5615 -8.6603 -8.6601 -4.7996 -4.7986 -1.9873 -1.9873 -0.1317 -0.1308 -0.0270 -0.0269 1.8155 1.8171 2.9947 2.9960 2.9974 3.0000 4.7692 4.7706 8.1283 8.1301 8.3692 8.3726 10.0291 10.0296 10.2433 10.2439 17.3750 17.3765 17.7479 17.7486 20.1773 20.1810 21.0393 21.0432 k = 0.1258 0.3267-0.0000 ( 1221 PWs) bands (ev): -11.5047 -11.5046 -8.6231 -8.6228 -4.7511 -4.7501 -2.0048 -2.0047 -0.2018 -0.2008 -0.0385 -0.0383 1.8127 1.8144 2.8912 2.8928 2.9515 2.9544 4.7714 4.7728 8.0627 8.0644 8.3734 8.3771 9.9594 9.9598 10.2419 10.2424 17.3782 17.3796 17.6713 17.6718 20.3079 20.3123 21.0328 21.0366 k = 0.1298 0.3369-0.0000 ( 1221 PWs) bands (ev): -11.4463 -11.4463 -8.5856 -8.5853 -4.7015 -4.7004 -2.0254 -2.0253 -0.2774 -0.2763 -0.0510 -0.0509 1.8101 1.8119 2.7897 2.7913 2.9120 2.9150 4.7744 4.7758 8.0002 8.0019 8.3750 8.3789 9.8948 9.8951 10.2403 10.2408 17.3799 17.3812 17.5963 17.5967 20.4247 20.4299 21.0222 21.0259 k = 0.1337 0.3471-0.0000 ( 1223 PWs) bands (ev): -11.3866 -11.3866 -8.5479 -8.5477 -4.6506 -4.6495 -2.0493 -2.0493 -0.3579 -0.3569 -0.0649 -0.0647 1.8077 1.8096 2.6908 2.6925 2.8783 2.8814 4.7780 4.7794 7.9411 7.9428 8.3735 8.3776 9.8359 9.8361 10.2386 10.2391 17.3803 17.3816 17.5233 17.5235 20.5219 20.5277 21.0082 21.0117 k = 0.1376 0.3573-0.0000 ( 1219 PWs) bands (ev): -11.3256 -11.3255 -8.5102 -8.5099 -4.5986 -4.5975 -2.0768 -2.0767 -0.4432 -0.4422 -0.0800 -0.0798 1.8054 1.8074 2.5952 2.5969 2.8501 2.8532 4.7818 4.7833 7.8856 7.8873 8.3684 8.3728 9.7834 9.7834 10.2371 10.2376 17.3799 17.3812 17.4524 17.4526 20.5939 20.6000 20.9910 20.9944 k = 0.1416 0.3676-0.0000 ( 1223 PWs) bands (ev): -11.2632 -11.2632 -8.4726 -8.4723 -4.5454 -4.5443 -2.1079 -2.1078 -0.5326 -0.5315 -0.0967 -0.0965 1.8033 1.8053 2.5034 2.5052 2.8270 2.8301 4.7858 4.7872 7.8338 7.8354 8.3596 8.3642 9.7376 9.7377 10.2355 10.2359 17.3784 17.3790 17.3842 17.3849 20.6379 20.6440 20.9711 20.9744 k = 0.1455 0.3778-0.0000 ( 1223 PWs) bands (ev): -11.1996 -11.1996 -8.4351 -8.4348 -4.4912 -4.4900 -2.1428 -2.1427 -0.6256 -0.6246 -0.1151 -0.1148 1.8012 1.8033 2.4159 2.4177 2.8088 2.8119 4.7896 4.7911 7.7859 7.7875 8.3466 8.3515 9.6990 9.6992 10.2339 10.2344 17.3180 17.3181 17.3768 17.3780 20.6566 20.6623 20.9486 20.9519 k = 0.1494 0.3880-0.0000 ( 1223 PWs) bands (ev): -11.1348 -11.1348 -8.3980 -8.3977 -4.4358 -4.4346 -2.1816 -2.1815 -0.7216 -0.7206 -0.1353 -0.1349 1.7990 1.8012 2.3329 2.3348 2.7950 2.7982 4.7932 4.7947 7.7420 7.7437 8.3295 8.3346 9.6680 9.6683 10.2326 10.2330 17.2549 17.2551 17.3745 17.3757 20.6557 20.6608 20.9238 20.9271 k = 0.1534 0.3982-0.0000 ( 1223 PWs) bands (ev): -11.0689 -11.0689 -8.3614 -8.3611 -4.3794 -4.3781 -2.2242 -2.2242 -0.8202 -0.8192 -0.1574 -0.1570 1.7965 1.7989 2.2551 2.2570 2.7855 2.7886 4.7964 4.7979 7.7023 7.7039 8.3083 8.3136 9.6447 9.6450 10.2314 10.2318 17.1946 17.1948 17.3720 17.3731 20.6412 20.6456 20.8969 20.9001 k = 0.1573 0.4084-0.0000 ( 1231 PWs) bands (ev): -11.0020 -11.0019 -8.3254 -8.3251 -4.3220 -4.3207 -2.2710 -2.2709 -0.9208 -0.9198 -0.1817 -0.1812 1.7937 1.7962 2.1825 2.1845 2.7798 2.7829 4.7991 4.8007 7.6668 7.6684 8.2832 8.2886 9.6287 9.6292 10.2306 10.2310 17.1371 17.1374 17.3695 17.3706 20.6172 20.6212 20.8679 20.8711 k = 0.1612 0.4186-0.0000 ( 1231 PWs) bands (ev): -10.9341 -10.9340 -8.2901 -8.2898 -4.2636 -4.2622 -2.3216 -2.3215 -1.0228 -1.0219 -0.2081 -0.2076 1.7905 1.7930 2.1155 2.1176 2.7777 2.7809 4.8012 4.8029 7.6357 7.6372 8.2547 8.2602 9.6203 9.6207 10.2301 10.2305 17.0827 17.0830 17.3671 17.3681 20.5870 20.5905 20.8371 20.8402 k = 0.1652 0.4288-0.0000 ( 1231 PWs) bands (ev): -10.8652 -10.8651 -8.2558 -8.2555 -4.2042 -4.2028 -2.3762 -2.3761 -1.1257 -1.1248 -0.2369 -0.2363 1.7867 1.7893 2.0543 2.0564 2.7790 2.7822 4.8028 4.8045 7.6089 7.6104 8.2232 8.2289 9.6188 9.6192 10.2300 10.2305 17.0313 17.0316 17.3650 17.3660 20.5523 20.5555 20.8045 20.8076 k = 0.1691 0.4390-0.0000 ( 1231 PWs) bands (ev): -10.7955 -10.7954 -8.2227 -8.2224 -4.1440 -4.1425 -2.4346 -2.4345 -1.2291 -1.2282 -0.2679 -0.2673 1.7822 1.7849 1.9989 2.0011 2.7834 2.7866 4.8037 4.8054 7.5865 7.5880 8.1894 8.1951 9.6237 9.6241 10.2305 10.2310 16.9829 16.9833 17.3633 17.3643 20.5146 20.5174 20.7703 20.7734 k = 0.1730 0.4492-0.0000 ( 1235 PWs) bands (ev): -10.7250 -10.7249 -8.1908 -8.1905 -4.0828 -4.0813 -2.4968 -2.4967 -1.3325 -1.3316 -0.3013 -0.3007 1.7769 1.7797 1.9493 1.9516 2.7908 2.7939 4.8038 4.8056 7.5685 7.5701 8.1539 8.1597 9.6346 9.6350 10.2315 10.2319 16.9376 16.9381 17.3621 17.3630 20.4746 20.4772 20.7346 20.7376 k = 0.1770 0.4594-0.0000 ( 1235 PWs) bands (ev): -10.6538 -10.6538 -8.1604 -8.1601 -4.0208 -4.0193 -2.5626 -2.5626 -1.4354 -1.4346 -0.3368 -0.3362 1.7707 1.7736 1.9055 1.9079 2.8008 2.8039 4.8033 4.8051 7.5550 7.5566 8.1173 8.1232 9.6509 9.6513 10.2332 10.2337 16.8955 16.8959 17.3616 17.3625 20.4331 20.4354 20.6975 20.7005 k = 0.1809 0.4697-0.0000 ( 1235 PWs) bands (ev): -10.5821 -10.5820 -8.1317 -8.1314 -3.9581 -3.9565 -2.6320 -2.6319 -1.5374 -1.5366 -0.3744 -0.3738 1.7637 1.7666 1.8673 1.8697 2.8133 2.8164 4.8020 4.8039 7.5460 7.5476 8.0804 8.0862 9.6721 9.6724 10.2357 10.2362 16.8563 16.8568 17.3618 17.3626 20.3905 20.3926 20.6591 20.6620 k = 0.1848 0.4799-0.0000 ( 1227 PWs) bands (ev): -10.5098 -10.5098 -8.1048 -8.1045 -3.8947 -3.8930 -2.7046 -2.7045 -1.6381 -1.6373 -0.4138 -0.4132 1.7558 1.7588 1.8346 1.8370 2.8281 2.8312 4.8000 4.8020 7.5415 7.5431 8.0436 8.0495 9.6978 9.6980 10.2390 10.2396 16.8202 16.8207 17.3629 17.3637 20.3474 20.3493 20.6196 20.6224 k = 0.1888 0.4901-0.0000 ( 1225 PWs) bands (ev): -10.4372 -10.4371 -8.0800 -8.0797 -3.8306 -3.8290 -2.7804 -2.7803 -1.7371 -1.7364 -0.4550 -0.4543 1.7469 1.7501 1.8068 1.8094 2.8449 2.8481 4.7974 4.7994 7.5414 7.5430 8.0075 8.0133 9.7274 9.7276 10.2432 10.2438 16.7872 16.7876 17.3648 17.3656 20.3039 20.3056 20.5789 20.5817 k = 0.1927 0.5003-0.0000 ( 1221 PWs) bands (ev): -10.3642 -10.3641 -8.0574 -8.0571 -3.7661 -3.7644 -2.8592 -2.8591 -1.8340 -1.8333 -0.4975 -0.4969 1.7373 1.7404 1.7838 1.7863 2.8637 2.8668 4.7942 4.7962 7.5457 7.5474 7.9725 7.9784 9.7606 9.7607 10.2484 10.2491 16.7571 16.7574 17.3677 17.3684 20.2605 20.2620 20.5373 20.5401 k = 0.1966 0.5105-0.0000 ( 1217 PWs) bands (ev): -10.2911 -10.2910 -8.0372 -8.0369 -3.7013 -3.6996 -2.9406 -2.9405 -1.9284 -1.9277 -0.5411 -0.5405 1.7267 1.7300 1.7650 1.7676 2.8843 2.8874 4.7904 4.7925 7.5544 7.5560 7.9391 7.9450 9.7970 9.7970 10.2546 10.2553 16.7299 16.7302 17.3716 17.3722 20.2174 20.2187 20.4948 20.4976 k = 0.2006 0.5207-0.0000 ( 1215 PWs) bands (ev): -10.2179 -10.2178 -8.0196 -8.0193 -3.6364 -3.6346 -3.0246 -3.0244 -2.0198 -2.0192 -0.5855 -0.5848 1.7154 1.7188 1.7500 1.7526 2.9064 2.9095 4.7862 4.7883 7.5673 7.5690 7.9076 7.9135 9.8363 9.8363 10.2619 10.2626 16.7055 16.7057 17.3766 17.3772 20.1748 20.1760 20.4515 20.4543 k = 0.2045 0.5309-0.0000 ( 1215 PWs) bands (ev): -10.1448 -10.1447 -8.0048 -8.0045 -3.5717 -3.5700 -3.1108 -3.1106 -2.1078 -2.1071 -0.6302 -0.6296 1.7034 1.7068 1.7383 1.7410 2.9299 2.9330 4.7816 4.7838 7.5845 7.5863 7.8784 7.8842 9.8782 9.8782 10.2702 10.2710 16.6839 16.6841 17.3824 17.3830 20.1329 20.1339 20.4076 20.4103 k = 0.2084 0.5411-0.0000 ( 1215 PWs) bands (ev): -10.0719 -10.0718 -7.9929 -7.9926 -3.5078 -3.5060 -3.1990 -3.1988 -2.1915 -2.1909 -0.6750 -0.6743 1.6908 1.6942 1.7295 1.7322 2.9549 2.9580 4.7767 4.7789 7.6060 7.6078 7.8516 7.8574 9.9224 9.9226 10.2796 10.2805 16.6650 16.6652 17.3893 17.3898 20.0920 20.0928 20.3631 20.3658 k = 0.2124 0.5513-0.0000 ( 1211 PWs) bands (ev): -9.9993 -9.9992 -7.9841 -7.9838 -3.4453 -3.4435 -3.2890 -3.2889 -2.2703 -2.2696 -0.7194 -0.7187 1.6776 1.6810 1.7231 1.7258 2.9810 2.9841 4.7718 4.7740 7.6315 7.6334 7.8277 7.8335 9.9690 9.9692 10.2902 10.2911 16.6488 16.6489 17.3973 17.3978 20.0522 20.0529 20.3181 20.3208 k = 0.2163 0.5615-0.0000 ( 1207 PWs) bands (ev): -9.9271 -9.9270 -7.9785 -7.9783 -3.3852 -3.3834 -3.3805 -3.3803 -2.3429 -2.3422 -0.7631 -0.7625 1.6639 1.6674 1.7186 1.7213 3.0082 3.0113 4.7669 4.7691 7.6611 7.6630 7.8068 7.8125 10.0174 10.0177 10.3020 10.3030 16.6352 16.6352 17.4063 17.4067 20.0138 20.0143 20.2727 20.2754 k = 0.2202 0.5718-0.0000 ( 1209 PWs) bands (ev): -9.8556 -9.8555 -7.9763 -7.9761 -3.4735 -3.4734 -3.3289 -3.3272 -2.4077 -2.4070 -0.8057 -0.8051 1.6499 1.6534 1.7155 1.7183 3.0364 3.0395 4.7621 4.7644 7.6947 7.6966 7.7890 7.7946 10.0676 10.0679 10.3149 10.3160 16.6239 16.6241 17.4160 17.4164 19.9768 19.9771 20.2270 20.2297 k = 0.2242 0.5820-0.0000 ( 1211 PWs) bands (ev): -9.7849 -9.7848 -7.9775 -7.9773 -3.5676 -3.5674 -3.2789 -3.2772 -2.4625 -2.4617 -0.8470 -0.8464 1.6355 1.6390 1.7134 1.7162 3.0656 3.0687 4.7576 4.7599 7.7321 7.7341 7.7745 7.7801 10.1193 10.1197 10.3291 10.3303 16.6151 16.6154 17.4266 17.4270 19.9413 19.9415 20.1812 20.1838 k = 0.2281 0.5922-0.0000 ( 1209 PWs) bands (ev): -9.7151 -9.7150 -7.9823 -7.9820 -3.6626 -3.6624 -3.2381 -3.2365 -2.5041 -2.5032 -0.8864 -0.8858 1.6209 1.6244 1.7118 1.7146 3.0956 3.0988 4.7537 4.7560 7.7632 7.7690 7.7735 7.7759 10.1724 10.1729 10.3444 10.3457 16.6087 16.6090 17.4381 17.4384 19.9076 19.9076 20.1352 20.1379 k = 0.2320 0.6024-0.0000 ( 1213 PWs) bands (ev): -9.6464 -9.6463 -7.9906 -7.9904 -3.7583 -3.7581 -3.2103 -3.2088 -2.5289 -2.5278 -0.9238 -0.9233 1.6061 1.6096 1.7104 1.7132 3.1266 3.1298 4.7504 4.7528 7.7559 7.7615 7.8186 7.8209 10.2267 10.2272 10.3608 10.3622 16.6045 16.6050 17.4502 17.4504 19.8755 19.8756 20.0892 20.0919 k = 0.2360 0.6126-0.0000 ( 1221 PWs) bands (ev): -9.5789 -9.5788 -8.0025 -8.0023 -3.8545 -3.8543 -3.1984 -3.1972 -2.5337 -2.5324 -0.9588 -0.9583 1.5912 1.5947 1.7087 1.7115 3.1584 3.1616 4.7479 4.7503 7.7522 7.7576 7.8672 7.8695 10.2820 10.2825 10.3784 10.3798 16.6026 16.6032 17.4629 17.4631 19.8453 19.8456 20.0433 20.0460 k = 0.2399 0.6228-0.0000 ( 1225 PWs) bands (ev): -9.5129 -9.5128 -8.0181 -8.0179 -3.9511 -3.9509 -3.2036 -3.2026 -2.5176 -2.5161 -0.9911 -0.9906 1.5763 1.5798 1.7064 1.7092 3.1911 3.1943 4.7465 4.7490 7.7521 7.7575 7.9195 7.9219 10.3381 10.3388 10.3971 10.3986 16.6029 16.6036 17.4763 17.4764 19.8171 19.8175 19.9977 20.0004 k = 0.2438 0.6330-0.0000 ( 1229 PWs) bands (ev): -9.4485 -9.4484 -8.0372 -8.0370 -4.0479 -4.0476 -3.2239 -3.2230 -2.4826 -2.4809 -1.0204 -1.0199 1.5615 1.5650 1.7032 1.7060 3.2246 3.2279 4.7463 4.7488 7.7558 7.7611 7.9753 7.9778 10.3950 10.3957 10.4168 10.4185 16.6053 16.6062 17.4901 17.4902 19.7909 19.7915 19.9524 19.9551 k = 0.2478 0.6432-0.0000 ( 1225 PWs) bands (ev): -9.3859 -9.3858 -8.0598 -8.0596 -4.1446 -4.1444 -3.2555 -3.2548 -2.4325 -2.4307 -1.0463 -1.0459 1.5468 1.5504 1.6988 1.7016 3.2591 3.2624 4.7475 4.7500 7.7634 7.7686 8.0346 8.0372 10.4376 10.4394 10.4525 10.4532 16.6100 16.6110 17.5044 17.5044 19.7668 19.7676 19.9075 19.9102 k = 0.2517 0.6534-0.0000 ( 1229 PWs) bands (ev): -9.3252 -9.3251 -8.0859 -8.0857 -4.2412 -4.2410 -3.2951 -3.2945 -2.3711 -2.3691 -1.0686 -1.0682 1.5324 1.5359 1.6929 1.6956 3.2945 3.2978 4.7502 4.7526 7.7748 7.7800 8.0972 8.0999 10.4594 10.4612 10.5102 10.5110 16.6167 16.6179 17.5188 17.5188 19.7447 19.7456 19.8632 19.8659 k = 0.2556 0.6636-0.0000 ( 1229 PWs) bands (ev): -9.2666 -9.2665 -8.1153 -8.1151 -4.3376 -4.3373 -3.3395 -3.3390 -2.3013 -2.2993 -1.0871 -1.0867 1.5182 1.5217 1.6852 1.6880 3.3309 3.3342 4.7545 4.7569 7.7901 7.7952 8.1631 8.1658 10.4820 10.4840 10.5682 10.5690 16.6255 16.6269 17.5333 17.5334 19.7246 19.7258 19.8196 19.8223 k = 0.2596 0.6739-0.0000 ( 1229 PWs) bands (ev): -9.2104 -9.2103 -8.1479 -8.1478 -4.4335 -4.4332 -3.3869 -3.3864 -2.2254 -2.2233 -1.1015 -1.1011 1.5044 1.5079 1.6757 1.6784 3.3682 3.3716 4.7605 4.7629 7.8093 7.8142 8.2320 8.2349 10.5055 10.5077 10.6261 10.6270 16.6365 16.6380 17.5478 17.5479 19.7066 19.7080 19.7768 19.7795 k = 0.2635 0.6841-0.0000 ( 1229 PWs) bands (ev): -9.1566 -9.1565 -8.1837 -8.1836 -4.5288 -4.5285 -3.4359 -3.4355 -2.1450 -2.1428 -1.1115 -1.1111 1.4912 1.4946 1.6641 1.6667 3.4066 3.4100 4.7683 4.7708 7.8322 7.8371 8.3041 8.3071 10.5299 10.5321 10.6839 10.6848 16.6496 16.6512 17.5622 17.5623 19.6906 19.6921 19.7349 19.7377 k = 0.2674 0.6943-0.0000 ( 1227 PWs) bands (ev): -9.1054 -9.1053 -8.2224 -8.2222 -4.6235 -4.6232 -3.4857 -3.4854 -2.0609 -2.0587 -1.1168 -1.1165 1.4785 1.4818 1.6503 1.6529 3.4461 3.4495 4.7780 4.7804 7.8591 7.8639 8.3791 8.3822 10.5549 10.5573 10.7413 10.7423 16.6648 16.6666 17.5762 17.5764 19.6764 19.6781 19.6942 19.6970 k = 0.2714 0.7045-0.0000 ( 1223 PWs) bands (ev): -9.0569 -9.0568 -8.2638 -8.2637 -4.7174 -4.7171 -3.5358 -3.5355 -1.9742 -1.9719 -1.1174 -1.1171 1.4665 1.4698 1.6342 1.6368 3.4866 3.4901 4.7897 4.7921 7.8896 7.8944 8.4570 8.4602 10.5807 10.5832 10.7982 10.7992 16.6823 16.6842 17.5897 17.5900 19.6547 19.6572 19.6646 19.6661 k = 0.2753 0.7147-0.0000 ( 1223 PWs) bands (ev): -9.0114 -9.0113 -8.3078 -8.3077 -4.8105 -4.8102 -3.5859 -3.5856 -1.8853 -1.8830 -1.1130 -1.1127 1.4554 1.4587 1.6158 1.6183 3.5284 3.5319 4.8032 4.8056 7.9239 7.9285 8.5376 8.5410 10.6071 10.6098 10.8544 10.8555 16.7019 16.7040 17.6026 17.6030 19.6166 19.6193 19.6538 19.6557 k = 0.2792 0.7249-0.0000 ( 1219 PWs) bands (ev): -8.9689 -8.9688 -8.3542 -8.3541 -4.9025 -4.9022 -3.6358 -3.6355 -1.7949 -1.7926 -1.1034 -1.1032 1.4455 1.4487 1.5951 1.5976 3.5713 3.5749 4.8186 4.8210 7.9619 7.9665 8.6209 8.6244 10.6340 10.6369 10.9098 10.9109 16.7238 16.7260 17.6147 17.6151 19.5800 19.5828 19.6448 19.6469 k = 0.2832 0.7351-0.0000 ( 1227 PWs) bands (ev): -8.9295 -8.9294 -8.4028 -8.4027 -4.9936 -4.9933 -3.6854 -3.6851 -1.7034 -1.7010 -1.0886 -1.0883 1.4368 1.4399 1.5720 1.5744 3.6154 3.6190 4.8359 4.8382 8.0033 8.0078 8.7066 8.7103 10.6615 10.6645 10.9640 10.9652 16.7480 16.7504 17.6258 17.6263 19.5451 19.5478 19.6373 19.6395 k = 0.2871 0.7453-0.0000 ( 1231 PWs) bands (ev): -8.8933 -8.8932 -8.4534 -8.4533 -5.0835 -5.0832 -3.7345 -3.7343 -1.6112 -1.6088 -1.0683 -1.0680 1.4296 1.4327 1.5466 1.5490 3.6607 3.6644 4.8550 4.8573 8.0483 8.0526 8.7949 8.7987 10.6894 10.6927 11.0171 11.0183 16.7745 16.7771 17.6358 17.6363 19.5120 19.5147 19.6312 19.6335 k = 0.2871 0.7453-0.0000 ( 1231 PWs) bands (ev): -8.8933 -8.8932 -8.4534 -8.4533 -5.0835 -5.0832 -3.7345 -3.7343 -1.6112 -1.6088 -1.0683 -1.0680 1.4296 1.4327 1.5466 1.5490 3.6607 3.6644 4.8550 4.8573 8.0483 8.0526 8.7949 8.7987 10.6894 10.6927 11.0171 11.0183 16.7745 16.7771 17.6358 17.6363 19.5120 19.5147 19.6312 19.6335 k = 0.2765 0.7453-0.0000 ( 1229 PWs) bands (ev): -8.9079 -8.9077 -8.4338 -8.4337 -5.0513 -5.0510 -3.7172 -3.7169 -1.6444 -1.6420 -1.0739 -1.0737 1.4287 1.4317 1.5599 1.5623 3.6420 3.6456 4.8471 4.8494 8.0312 8.0356 8.7659 8.7697 10.6738 10.6770 11.0044 11.0056 16.7665 16.7690 17.6327 17.6332 19.5111 19.5140 19.6404 19.6427 k = 0.2658 0.7453-0.0000 ( 1229 PWs) bands (ev): -8.9263 -8.9262 -8.4119 -8.4118 -5.0170 -5.0167 -3.6997 -3.6994 -1.6794 -1.6770 -1.0747 -1.0745 1.4235 1.4266 1.5788 1.5814 3.6179 3.6215 4.8374 4.8397 8.0126 8.0170 8.7419 8.7456 10.6470 10.6500 11.0026 11.0037 16.7616 16.7640 17.6299 17.6304 19.4914 19.4945 19.6592 19.6613 k = 0.2552 0.7453-0.0000 ( 1223 PWs) bands (ev): -8.9474 -8.9472 -8.3891 -8.3890 -4.9806 -4.9802 -3.6823 -3.6820 -1.7160 -1.7136 -1.0707 -1.0704 1.4170 1.4200 1.6006 1.6033 3.5887 3.5923 4.8259 4.8283 7.9927 7.9970 8.7230 8.7267 10.6110 10.6138 11.0101 11.0110 16.7597 16.7621 17.6276 17.6281 19.4611 19.4645 19.6797 19.6817 k = 0.2446 0.7453-0.0000 ( 1221 PWs) bands (ev): -8.9700 -8.9699 -8.3662 -8.3660 -4.9421 -4.9417 -3.6652 -3.6649 -1.7540 -1.7517 -1.0618 -1.0615 1.4107 1.4135 1.6233 1.6261 3.5546 3.5582 4.8125 4.8150 7.9716 7.9758 8.7092 8.7130 10.5682 10.5709 11.0242 11.0250 16.7606 16.7629 17.6256 17.6261 19.4240 19.4276 19.6985 19.7004 k = 0.2339 0.7453-0.0000 ( 1222 PWs) bands (ev): -8.9936 -8.9934 -8.3438 -8.3436 -4.9015 -4.9012 -3.6488 -3.6485 -1.7934 -1.7911 -1.0483 -1.0480 1.4053 1.4080 1.6458 1.6487 3.5159 3.5196 4.7972 4.7998 7.9498 7.9540 8.7003 8.7041 10.5210 10.5236 11.0428 11.0436 16.7641 16.7664 17.6239 17.6244 19.3817 19.3855 19.7148 19.7165 k = 0.2233 0.7453-0.0000 ( 1222 PWs) bands (ev): -9.0175 -9.0174 -8.3223 -8.3222 -4.8590 -4.8586 -3.6333 -3.6330 -1.8337 -1.8315 -1.0304 -1.0300 1.4013 1.4039 1.6675 1.6704 3.4732 3.4769 4.7798 4.7826 7.9282 7.9323 8.6957 8.6996 10.4712 10.4737 11.0644 11.0651 16.7702 16.7725 17.6226 17.6231 19.3350 19.3390 19.7282 19.7298 k = 0.2127 0.7453-0.0000 ( 1222 PWs) bands (ev): -9.0414 -9.0413 -8.3021 -8.3019 -4.8146 -4.8143 -3.6187 -3.6184 -1.8750 -1.8727 -1.0081 -1.0078 1.3990 1.4015 1.6878 1.6906 3.4270 3.4307 4.7605 4.7633 7.9074 7.9113 8.6949 8.6988 10.4199 10.4223 11.0879 11.0886 16.7788 16.7810 17.6216 17.6221 19.2842 19.2883 19.7391 19.7406 k = 0.2020 0.7453-0.0000 ( 1220 PWs) bands (ev): -9.0650 -9.0649 -8.2832 -8.2831 -4.7686 -4.7682 -3.6052 -3.6050 -1.9169 -1.9147 -0.9819 -0.9815 1.3985 1.4009 1.7062 1.7091 3.3780 3.3816 4.7390 4.7420 7.8880 7.8917 8.6971 8.7011 10.3680 10.3705 11.1126 11.1133 16.7896 16.7919 17.6210 17.6215 19.2298 19.2341 19.7478 19.7492 k = 0.1914 0.7453-0.0000 ( 1221 PWs) bands (ev): -9.0880 -9.0879 -8.2658 -8.2657 -4.7211 -4.7207 -3.5929 -3.5927 -1.9593 -1.9572 -0.9519 -0.9516 1.3999 1.4022 1.7224 1.7252 3.3267 3.3304 4.7154 4.7185 7.8707 7.8742 8.7017 8.7057 10.3162 10.3187 11.1379 11.1386 16.8026 16.8049 17.6207 17.6212 19.1721 19.1765 19.7545 19.7559 k = 0.1808 0.7453-0.0000 ( 1221 PWs) bands (ev): -9.1104 -9.1103 -8.2498 -8.2497 -4.6723 -4.6719 -3.5819 -3.5816 -2.0020 -2.0000 -0.9187 -0.9183 1.4031 1.4053 1.7360 1.7388 3.2739 3.2776 4.6898 4.6930 7.8559 7.8593 8.7081 8.7121 10.2650 10.2675 11.1634 11.1641 16.8177 16.8200 17.6209 17.6214 19.1115 19.1159 19.7596 19.7610 k = 0.1701 0.7453-0.0000 ( 1221 PWs) bands (ev): -9.1319 -9.1318 -8.2354 -8.2353 -4.6225 -4.6221 -3.5720 -3.5717 -2.0449 -2.0429 -0.8825 -0.8822 1.4081 1.4102 1.7469 1.7496 3.2202 3.2240 4.6623 4.6656 7.8441 7.8472 8.7154 8.7194 10.2149 10.2174 11.1889 11.1896 16.8348 16.8370 17.6215 17.6220 19.0483 19.0527 19.7633 19.7647 k = 0.1595 0.7453-0.0000 ( 1224 PWs) bands (ev): -9.1525 -9.1524 -8.2223 -8.2222 -4.5720 -4.5716 -3.5633 -3.5631 -2.0877 -2.0858 -0.8438 -0.8435 1.4150 1.4169 1.7546 1.7572 3.1665 3.1702 4.6332 4.6366 7.8354 7.8383 8.7231 8.7271 10.1662 10.1687 11.2140 11.2147 16.8536 16.8558 17.6225 17.6229 18.9830 18.9874 19.7660 19.7672 k = 0.1489 0.7453-0.0000 ( 1224 PWs) bands (ev): -9.1721 -9.1720 -8.2107 -8.2106 -4.5212 -4.5208 -3.5558 -3.5555 -2.1303 -2.1284 -0.8030 -0.8027 1.4235 1.4253 1.7591 1.7616 3.1133 3.1171 4.6028 4.6062 7.8299 7.8326 8.7307 8.7347 10.1195 10.1220 11.2386 11.2393 16.8742 16.8764 17.6240 17.6244 18.9160 18.9204 19.7677 19.7689 k = 0.1382 0.7453-0.0000 ( 1222 PWs) bands (ev): -9.1905 -9.1904 -8.2003 -8.2002 -4.4703 -4.4699 -3.5493 -3.5491 -2.1724 -2.1706 -0.7607 -0.7604 1.4336 1.4353 1.7602 1.7625 3.0615 3.0654 4.5715 4.5749 7.8277 7.8302 8.7378 8.7417 10.0750 10.0775 11.2624 11.2631 16.8962 16.8984 17.6263 17.6267 18.8478 18.8521 19.7686 19.7698 k = 0.1276 0.7453-0.0000 ( 1221 PWs) bands (ev): -9.2078 -9.2077 -8.1911 -8.1910 -4.4199 -4.4195 -3.5437 -3.5436 -2.2138 -2.2121 -0.7174 -0.7171 1.4450 1.4465 1.7578 1.7600 3.0117 3.0155 4.5396 4.5430 7.8285 7.8308 8.7439 8.7477 10.0330 10.0355 11.2853 11.2859 16.9196 16.9217 17.6292 17.6296 18.7788 18.7831 19.7689 19.7700 k = 0.1170 0.7453-0.0000 ( 1221 PWs) bands (ev): -9.2238 -9.2237 -8.1831 -8.1830 -4.3703 -4.3699 -3.5391 -3.5390 -2.2543 -2.2527 -0.6736 -0.6734 1.4576 1.4590 1.7521 1.7541 2.9644 2.9681 4.5077 4.5109 7.8322 7.8342 8.7487 8.7524 9.9938 9.9962 11.3070 11.3077 16.9439 16.9460 17.6331 17.6334 18.7096 18.7137 19.7687 19.7698 k = 0.1063 0.7453-0.0000 ( 1223 PWs) bands (ev): -9.2386 -9.2385 -8.1760 -8.1759 -4.3220 -4.3216 -3.5353 -3.5352 -2.2935 -2.2920 -0.6301 -0.6299 1.4710 1.4723 1.7431 1.7450 2.9201 2.9238 4.4762 4.4794 7.8383 7.8402 8.7521 8.7557 9.9577 9.9600 11.3275 11.3281 16.9689 16.9710 17.6379 17.6382 18.6406 18.6445 19.7681 19.7691 k = 0.0957 0.7453-0.0000 ( 1221 PWs) bands (ev): -9.2520 -9.2520 -8.1700 -8.1699 -4.2755 -4.2751 -3.5323 -3.5321 -2.3311 -2.3297 -0.5875 -0.5872 1.4851 1.4863 1.7315 1.7332 2.8792 2.8828 4.4457 4.4487 7.8465 7.8481 8.7539 8.7573 9.9249 9.9271 11.3465 11.3470 16.9942 16.9963 17.6439 17.6442 18.5725 18.5763 19.7673 19.7682 k = 0.0851 0.7453-0.0000 ( 1221 PWs) bands (ev): -9.2641 -9.2641 -8.1648 -8.1647 -4.2314 -4.2311 -3.5298 -3.5297 -2.3667 -2.3654 -0.5464 -0.5462 1.4995 1.5006 1.7175 1.7191 2.8422 2.8456 4.4168 4.4196 7.8562 7.8577 8.7543 8.7574 9.8956 9.8977 11.3639 11.3644 17.0194 17.0214 17.6513 17.6517 18.5060 18.5095 19.7664 19.7672 k = 0.0744 0.7453-0.0000 ( 1221 PWs) bands (ev): -9.2749 -9.2748 -8.1604 -8.1603 -4.1903 -4.1900 -3.5278 -3.5277 -2.3998 -2.3987 -0.5076 -0.5074 1.5139 1.5149 1.7018 1.7032 2.8092 2.8123 4.3898 4.3924 7.8669 7.8682 8.7532 8.7560 9.8699 9.8717 11.3796 11.3800 17.0438 17.0457 17.6602 17.6606 18.4418 18.4451 19.7653 19.7661 k = 0.0638 0.7453-0.0000 ( 1223 PWs) bands (ev): -9.2843 -9.2842 -8.1567 -8.1567 -4.1528 -4.1525 -3.5264 -3.5263 -2.4301 -2.4290 -0.4719 -0.4717 1.5280 1.5290 1.6851 1.6865 2.7803 2.7832 4.3654 4.3677 7.8780 7.8790 8.7510 8.7535 9.8477 9.8494 11.3934 11.3938 17.0669 17.0686 17.6706 17.6711 18.3808 18.3838 19.7643 19.7650 k = 0.0532 0.7453-0.0000 ( 1227 PWs) bands (ev): -9.2922 -9.2922 -8.1537 -8.1537 -4.1195 -4.1193 -3.5253 -3.5252 -2.4569 -2.4560 -0.4400 -0.4398 1.5415 1.5424 1.6682 1.6694 2.7558 2.7583 4.3439 4.3459 7.8888 7.8897 8.7479 8.7501 9.8292 9.8306 11.4053 11.4056 17.0880 17.0895 17.6824 17.6829 18.3241 18.3268 19.7633 19.7639 k = 0.0425 0.7453-0.0000 ( 1224 PWs) bands (ev): -9.2987 -9.2987 -8.1513 -8.1513 -4.0912 -4.0909 -3.5245 -3.5244 -2.4798 -2.4791 -0.4126 -0.4125 1.5542 1.5552 1.6518 1.6530 2.7358 2.7379 4.3259 4.3275 7.8989 7.8995 8.7447 8.7465 9.8143 9.8154 11.4152 11.4154 17.1064 17.1077 17.6952 17.6958 18.2733 18.2756 19.7625 19.7630 k = 0.0319 0.7453-0.0000 ( 1224 PWs) bands (ev): -9.3038 -9.3038 -8.1495 -8.1495 -4.0683 -4.0682 -3.5239 -3.5239 -2.4982 -2.4977 -0.3905 -0.3904 1.5661 1.5670 1.6364 1.6376 2.7201 2.7218 4.3115 4.3127 7.9074 7.9079 8.7415 8.7429 9.8028 9.8037 11.4229 11.4231 17.1216 17.1226 17.7081 17.7085 18.2299 18.2318 19.7618 19.7622 k = 0.0213 0.7453-0.0000 ( 1226 PWs) bands (ev): -9.3074 -9.3074 -8.1483 -8.1483 -4.0516 -4.0514 -3.5235 -3.5235 -2.5117 -2.5114 -0.3742 -0.3742 1.5772 1.5782 1.6224 1.6235 2.7090 2.7101 4.3011 4.3019 7.9139 7.9143 8.7389 8.7398 9.7947 9.7953 11.4285 11.4287 17.1328 17.1335 17.7194 17.7198 18.1963 18.1976 19.7613 19.7616 k = 0.0106 0.7453-0.0000 ( 1224 PWs) bands (ev): -9.3096 -9.3096 -8.1475 -8.1475 -4.0413 -4.0412 -3.5233 -3.5233 -2.5200 -2.5198 -0.3642 -0.3642 1.5878 1.5888 1.6100 1.6110 2.7025 2.7030 4.2949 4.2953 7.9181 7.9183 8.7373 8.7378 9.7900 9.7903 11.4319 11.4320 17.1399 17.1402 17.7275 17.7278 18.1749 18.1756 19.7611 19.7612 k = 0.0000 0.7453-0.0000 ( 1220 PWs) bands (ev): -9.3103 -9.3103 -8.1473 -8.1473 -4.0378 -4.0378 -3.5233 -3.5233 -2.5227 -2.5227 -0.3609 -0.3609 1.5982 1.5982 1.6001 1.6001 2.7005 2.7005 4.2930 4.2930 7.9196 7.9196 8.7369 8.7369 9.7885 9.7885 11.4331 11.4331 17.1424 17.1424 17.7306 17.7306 18.1677 18.1677 19.7611 19.7611 k = 0.0000 0.7453-0.0000 ( 1220 PWs) bands (ev): -9.3103 -9.3103 -8.1473 -8.1473 -4.0378 -4.0378 -3.5233 -3.5233 -2.5227 -2.5227 -0.3609 -0.3609 1.5982 1.5982 1.6001 1.6001 2.7005 2.7005 4.2930 4.2930 7.9196 7.9196 8.7369 8.7369 9.7885 9.7885 11.4331 11.4331 17.1424 17.1424 17.7306 17.7306 18.1677 18.1677 19.7611 19.7611 k = 0.0000 0.7453 0.0108 ( 1222 PWs) bands (ev): -9.3097 -9.3097 -8.1476 -8.1476 -4.0384 -4.0384 -3.5286 -3.5284 -2.5167 -2.5165 -0.3625 -0.3624 1.5999 1.6000 1.6009 1.6010 2.7007 2.7008 4.2922 4.2923 7.9187 7.9189 8.7355 8.7355 9.7902 9.7903 11.4321 11.4321 17.1350 17.1354 17.7407 17.7412 18.1670 18.1670 19.7581 19.7582 k = 0.0000 0.7453 0.0215 ( 1224 PWs) bands (ev): -9.3078 -9.3078 -8.1488 -8.1488 -4.0400 -4.0400 -3.5440 -3.5437 -2.4989 -2.4985 -0.3674 -0.3672 1.6017 1.6018 1.6068 1.6071 2.7016 2.7018 4.2900 4.2901 7.9162 7.9166 8.7313 8.7314 9.7952 9.7954 11.4292 11.4292 17.1148 17.1154 17.7701 17.7709 18.1647 18.1647 19.7494 19.7495 k = 0.0000 0.7453 0.0323 ( 1224 PWs) bands (ev): -9.3047 -9.3047 -8.1507 -8.1507 -4.0428 -4.0427 -3.5683 -3.5680 -2.4705 -2.4700 -0.3753 -0.3751 1.6041 1.6043 1.6173 1.6177 2.7032 2.7035 4.2864 4.2866 7.9121 7.9127 8.7244 8.7246 9.8037 9.8039 11.4244 11.4245 17.0856 17.0865 17.8148 17.8159 18.1609 18.1609 19.7352 19.7353 k = 0.0000 0.7453 0.0430 ( 1224 PWs) bands (ev): -9.3003 -9.3003 -8.1534 -8.1534 -4.0466 -4.0464 -3.6001 -3.5997 -2.4330 -2.4324 -0.3862 -0.3859 1.6074 1.6077 1.6317 1.6322 2.7056 2.7060 4.2815 4.2817 7.9065 7.9072 8.7148 8.7151 9.8153 9.8156 11.4177 11.4178 17.0514 17.0523 17.8707 17.8720 18.1556 18.1556 19.7158 19.7160 k = 0.0000 0.7453 0.0538 ( 1220 PWs) bands (ev): -9.2947 -9.2947 -8.1569 -8.1569 -4.0515 -4.0513 -3.6376 -3.6371 -2.3881 -2.3873 -0.3996 -0.3993 1.6116 1.6119 1.6497 1.6503 2.7088 2.7092 4.2752 4.2755 7.8994 7.9003 8.7026 8.7030 9.8300 9.8305 11.4091 11.4093 17.0153 17.0163 17.9344 17.9358 18.1486 18.1487 19.6918 19.6921 k = 0.0000 0.7453 0.0645 ( 1220 PWs) bands (ev): -9.2879 -9.2878 -8.1612 -8.1611 -4.0574 -4.0572 -3.6794 -3.6789 -2.3374 -2.3365 -0.4155 -0.4151 1.6167 1.6171 1.6709 1.6716 2.7129 2.7134 4.2677 4.2680 7.8908 7.8919 8.6879 8.6884 9.8477 9.8483 11.3988 11.3989 16.9797 16.9807 18.0031 18.0046 18.1400 18.1401 19.6638 19.6641 k = 0.0000 0.7453 0.0753 ( 1218 PWs) bands (ev): -9.2798 -9.2797 -8.1663 -8.1662 -4.0644 -4.0641 -3.7241 -3.7235 -2.2822 -2.2812 -0.4334 -0.4329 1.6226 1.6231 1.6947 1.6956 2.7180 2.7187 4.2589 4.2593 7.8807 7.8820 8.6708 8.6713 9.8683 9.8689 11.3868 11.3869 16.9461 16.9471 18.0751 18.0767 18.1296 18.1297 19.6325 19.6329 k = 0.0000 0.7453 0.0860 ( 1218 PWs) bands (ev): -9.2705 -9.2704 -8.1723 -8.1722 -4.0723 -4.0720 -3.7707 -3.7701 -2.2237 -2.2226 -0.4529 -0.4524 1.6293 1.6298 1.7208 1.7218 2.7244 2.7251 4.2490 4.2495 7.8693 7.8708 8.6514 8.6520 9.8914 9.8920 11.3731 11.3732 16.9156 16.9166 18.1172 18.1174 18.1491 18.1507 19.5986 19.5990 k = 0.0000 0.7453 0.0968 ( 1222 PWs) bands (ev): -9.2600 -9.2600 -8.1791 -8.1790 -4.0813 -4.0810 -3.8182 -3.8176 -2.1629 -2.1618 -0.4739 -0.4733 1.6368 1.6373 1.7486 1.7497 2.7320 2.7327 4.2381 4.2386 7.8565 7.8582 8.6297 8.6304 9.9169 9.9176 11.3578 11.3580 16.8889 16.8899 18.1030 18.1032 18.2235 18.2251 19.5629 19.5634 k = 0.0000 0.7453 0.1076 ( 1222 PWs) bands (ev): -9.2484 -9.2483 -8.1868 -8.1867 -4.0912 -4.0909 -3.8659 -3.8653 -2.1005 -2.0993 -0.4959 -0.4952 1.6449 1.6455 1.7777 1.7789 2.7411 2.7419 4.2262 4.2268 7.8426 7.8444 8.6059 8.6067 9.9446 9.9454 11.3412 11.3413 16.8666 16.8675 18.0867 18.0869 18.2977 18.2993 19.5263 19.5268 k = 0.0000 0.7453 0.1183 ( 1222 PWs) bands (ev): -9.2356 -9.2355 -8.1954 -8.1953 -4.1021 -4.1017 -3.9133 -3.9127 -2.0373 -2.0360 -0.5186 -0.5179 1.6537 1.6543 1.8075 1.8088 2.7519 2.7528 4.2134 4.2141 7.8276 7.8295 8.5802 8.5810 9.9743 9.9752 11.3233 11.3234 16.8488 16.8496 18.0683 18.0685 18.3709 18.3725 19.4895 19.4901 k = 0.0000 0.7453 0.1291 ( 1224 PWs) bands (ev): -9.2216 -9.2215 -8.2050 -8.2048 -4.1138 -4.1134 -3.9599 -3.9593 -1.9737 -1.9724 -0.5417 -0.5410 1.6632 1.6637 1.8375 1.8390 2.7645 2.7654 4.1998 4.2005 7.8116 7.8136 8.5525 8.5535 10.0057 10.0066 11.3043 11.3044 16.8356 16.8364 18.0477 18.0479 18.4424 18.4441 19.4532 19.4538 k = 0.0000 0.7453 0.1398 ( 1228 PWs) bands (ev): -9.2066 -9.2065 -8.2155 -8.2153 -4.1264 -4.1259 -4.0053 -4.0047 -1.9103 -1.9089 -0.5651 -0.5643 1.6732 1.6737 1.8673 1.8690 2.7790 2.7799 4.1854 4.1862 7.7948 7.7969 8.5231 8.5241 10.0387 10.0397 11.2841 11.2842 16.8272 16.8279 18.0248 18.0251 18.5118 18.5134 19.4180 19.4187 k = 0.0000 0.7453 0.1506 ( 1226 PWs) bands (ev): -9.1905 -9.1904 -8.2269 -8.2268 -4.1397 -4.1392 -4.0493 -4.0486 -1.8474 -1.8460 -0.5884 -0.5876 1.6838 1.6843 1.8965 1.8982 2.7957 2.7966 4.1704 4.1713 7.7774 7.7797 8.4920 8.4931 10.0730 10.0741 11.2633 11.2633 16.8234 16.8241 17.9998 18.0001 18.5786 18.5802 19.3848 19.3856 k = 0.0000 0.7453 0.1613 ( 1228 PWs) bands (ev): -9.1733 -9.1732 -8.2394 -8.2392 -4.1537 -4.1533 -4.0914 -4.0908 -1.7855 -1.7840 -0.6116 -0.6107 1.6949 1.6953 1.9245 1.9264 2.8146 2.8154 4.1547 4.1557 7.7597 7.7620 8.4593 8.4605 10.1084 10.1095 11.2417 11.2417 16.8241 16.8247 17.9726 17.9729 18.6426 18.6442 19.3537 19.3545 k = 0.0000 0.7453 0.1721 ( 1226 PWs) bands (ev): -9.1551 -9.1550 -8.2528 -8.2526 -4.1684 -4.1679 -4.1317 -4.1310 -1.7247 -1.7232 -0.6343 -0.6334 1.7064 1.7068 1.9512 1.9532 2.8358 2.8366 4.1384 4.1395 7.7418 7.7442 8.4252 8.4264 10.1447 10.1459 11.2195 11.2196 16.8290 16.8296 17.9433 17.9437 18.7034 18.7049 19.3253 19.3262 k = 0.0000 0.7453 0.1828 ( 1226 PWs) bands (ev): -9.1359 -9.1358 -8.2673 -8.2671 -4.1837 -4.1832 -4.1697 -4.1691 -1.6655 -1.6640 -0.6566 -0.6556 1.7185 1.7188 1.9760 1.9781 2.8594 2.8602 4.1214 4.1226 7.7239 7.7264 8.3898 8.3911 10.1817 10.1830 11.1969 11.1971 16.8379 16.8384 17.9121 17.9125 18.7609 18.7625 19.3000 19.3009 k = 0.0000 0.7453 0.1936 ( 1228 PWs) bands (ev): -9.1158 -9.1156 -8.2827 -8.2826 -4.2056 -4.2050 -4.1994 -4.1989 -1.6080 -1.6065 -0.6782 -0.6772 1.7310 1.7312 1.9986 2.0009 2.8854 2.8862 4.1038 4.1049 7.7064 7.7090 8.3531 8.3545 10.2191 10.2204 11.1740 11.1743 16.8504 16.8508 17.8793 17.8797 18.8151 18.8166 19.2778 19.2788 k = 0.0000 0.7453 0.2044 ( 1228 PWs) bands (ev): -9.0947 -9.0946 -8.2992 -8.2990 -4.2390 -4.2384 -4.2156 -4.2150 -1.5525 -1.5509 -0.6992 -0.6981 1.7440 1.7442 2.0190 2.0213 2.9140 2.9146 4.0854 4.0866 7.6896 7.6922 8.3154 8.3169 10.2568 10.2582 11.1510 11.1513 16.8661 16.8665 17.8450 17.8454 18.8660 18.8675 19.2589 19.2600 k = 0.0000 0.7453 0.2151 ( 1224 PWs) bands (ev): -9.0728 -9.0726 -8.3167 -8.3165 -4.2700 -4.2694 -4.2320 -4.2315 -1.4991 -1.4975 -0.7194 -0.7184 1.7575 1.7575 2.0368 2.0392 2.9449 2.9455 4.0662 4.0675 7.6738 7.6764 8.2769 8.2785 10.2946 10.2960 11.1280 11.1284 16.8848 16.8852 17.8096 17.8100 18.9136 18.9151 19.2434 19.2445 k = 0.0000 0.7453 0.2259 ( 1226 PWs) bands (ev): -9.0500 -9.0499 -8.3352 -8.3350 -4.2984 -4.2978 -4.2487 -4.2481 -1.4480 -1.4464 -0.7390 -0.7379 1.7714 1.7715 2.0519 2.0544 2.9783 2.9787 4.0460 4.0473 7.6592 7.6619 8.2375 8.2392 10.3322 10.3336 11.1049 11.1054 16.9060 16.9063 17.7733 17.7738 18.9580 18.9595 19.2309 19.2321 k = 0.0000 0.7453 0.2366 ( 1228 PWs) bands (ev): -9.0265 -9.0264 -8.3547 -8.3544 -4.3243 -4.3237 -4.2654 -4.2648 -1.3992 -1.3976 -0.7579 -0.7567 1.7857 1.7859 2.0641 2.0667 3.0139 3.0143 4.0247 4.0261 7.6461 7.6489 8.1976 8.1993 10.3696 10.3710 11.0820 11.0825 16.9292 16.9295 17.7364 17.7369 18.9993 19.0008 19.2217 19.2229 k = 0.0000 0.7453 0.2474 ( 1228 PWs) bands (ev): -9.0023 -9.0021 -8.3751 -8.3748 -4.3476 -4.3470 -4.2822 -4.2816 -1.3529 -1.3513 -0.7761 -0.7749 1.8005 1.8009 2.0736 2.0762 3.0518 3.0521 4.0022 4.0036 7.6350 7.6378 8.1573 8.1591 10.4065 10.4079 11.0591 11.0597 16.9542 16.9545 17.6994 17.6999 19.0375 19.0390 19.2153 19.2167 k = 0.0000 0.7453 0.2581 ( 1228 PWs) bands (ev): -8.9774 -8.9772 -8.3964 -8.3962 -4.3682 -4.3676 -4.2988 -4.2981 -1.3092 -1.3076 -0.7936 -0.7924 1.8157 1.8163 2.0801 2.0828 3.0917 3.0918 3.9783 3.9797 7.6262 7.6289 8.1168 8.1187 10.4428 10.4442 11.0365 11.0372 16.9806 16.9809 17.6624 17.6629 19.0727 19.0743 19.2117 19.2131 k = 0.0000 0.7453 0.2689 ( 1232 PWs) bands (ev): -8.9519 -8.9517 -8.4186 -8.4184 -4.3863 -4.3857 -4.3151 -4.3145 -1.2680 -1.2663 -0.8107 -0.8094 1.8314 1.8322 2.0839 2.0866 3.1334 3.1335 3.9528 3.9542 7.6197 7.6225 8.0763 8.0782 10.4783 10.4798 11.0139 11.0147 17.0080 17.0082 17.6256 17.6261 19.1049 19.1065 19.2104 19.2119 k = 0.0000 0.7453 0.2796 ( 1228 PWs) bands (ev): -8.9258 -8.9256 -8.4417 -8.4414 -4.4017 -4.4011 -4.3310 -4.3304 -1.2292 -1.2276 -0.8273 -0.8260 1.8476 1.8485 2.0850 2.0877 3.1767 3.1768 3.9256 3.9271 7.6160 7.6188 8.0361 8.0381 10.5132 10.5147 10.9915 10.9923 17.0361 17.0363 17.5894 17.5899 19.1340 19.1356 19.2112 19.2128 k = 0.0000 0.7453 0.2904 ( 1228 PWs) bands (ev): -8.8992 -8.8990 -8.4655 -8.4653 -4.4146 -4.4140 -4.3464 -4.3458 -1.1930 -1.1914 -0.8435 -0.8423 1.8642 1.8652 2.0834 2.0861 3.2214 3.2216 3.8966 3.8980 7.6152 7.6180 7.9962 7.9983 10.5471 10.5486 10.9691 10.9700 17.0647 17.0649 17.5538 17.5543 19.1599 19.1616 19.2138 19.2154 k = 0.0000 0.7453 0.3011 ( 1224 PWs) bands (ev): -8.8722 -8.8720 -8.4901 -8.4899 -4.4250 -4.4244 -4.3612 -4.3605 -1.1592 -1.1576 -0.8596 -0.8583 1.8811 1.8823 2.0795 2.0821 3.2672 3.2675 3.8656 3.8670 7.6176 7.6204 7.9571 7.9593 10.5801 10.5816 10.9468 10.9478 17.0936 17.0939 17.5189 17.5194 19.1826 19.1843 19.2178 19.2194 k = 0.0000 0.7453 0.3119 ( 1224 PWs) bands (ev): -8.8449 -8.8447 -8.5154 -8.5151 -4.4330 -4.4324 -4.3751 -4.3745 -1.1277 -1.1261 -0.8756 -0.8743 1.8982 1.8996 2.0732 2.0759 3.3138 3.3142 3.8326 3.8340 7.6231 7.6259 7.9189 7.9212 10.6119 10.6134 10.9243 10.9253 17.1226 17.1228 17.4849 17.4854 19.2019 19.2037 19.2228 19.2244 k = 0.0000 0.7453 0.3227 ( 1224 PWs) bands (ev): -8.8172 -8.8170 -8.5412 -8.5410 -4.4386 -4.4380 -4.3882 -4.3876 -1.0985 -1.0969 -0.8918 -0.8904 1.9156 1.9171 2.0649 2.0675 3.3609 3.3614 3.7975 3.7989 7.6319 7.6347 7.8819 7.8842 10.6428 10.6442 10.9016 10.9027 17.1516 17.1519 17.4518 17.4523 19.2177 19.2196 19.2284 19.2300 k = 0.0000 0.7453 0.3334 ( 1224 PWs) bands (ev): -8.7893 -8.7891 -8.5676 -8.5674 -4.4420 -4.4414 -4.4002 -4.3995 -1.0713 -1.0697 -0.9082 -0.9068 1.9330 1.9346 2.0548 2.0573 3.4083 3.4089 3.7605 3.7617 7.6440 7.6468 7.8464 7.8487 10.6726 10.6740 10.8786 10.8798 17.1806 17.1809 17.4195 17.4199 19.2301 19.2321 19.2342 19.2357 k = 0.0000 0.7453 0.3442 ( 1222 PWs) bands (ev): -8.7613 -8.7611 -8.5945 -8.5943 -4.4432 -4.4426 -4.4110 -4.4103 -1.0460 -1.0445 -0.9250 -0.9236 1.9503 1.9521 2.0430 2.0455 3.4556 3.4563 3.7214 3.7227 7.6594 7.6621 7.8126 7.8150 10.7013 10.7028 10.8553 10.8565 17.2096 17.2099 17.3879 17.3884 19.2386 19.2402 19.2411 19.2414 k = 0.0000 0.7453 0.3549 ( 1226 PWs) bands (ev): -8.7332 -8.7330 -8.6218 -8.6215 -4.4423 -4.4417 -4.4204 -4.4198 -1.0225 -1.0210 -0.9425 -0.9411 1.9673 1.9692 2.0298 2.0322 3.5025 3.5033 3.6805 3.6817 7.6779 7.6806 7.7807 7.7831 10.7290 10.7304 10.8314 10.8327 17.2386 17.2389 17.3571 17.3575 19.2438 19.2456 19.2458 19.2472 k = 0.0000 0.7453 0.3657 ( 1228 PWs) bands (ev): -8.7052 -8.7050 -8.6494 -8.6491 -4.4395 -4.4389 -4.4284 -4.4278 -1.0006 -0.9991 -0.9608 -0.9593 1.9840 1.9861 2.0155 2.0178 3.5487 3.5497 3.6380 3.6391 7.6995 7.7021 7.7511 7.7536 10.7558 10.7572 10.8069 10.8083 17.2678 17.2681 17.3269 17.3273 19.2472 19.2485 19.2492 19.2503 k = 0.0000 0.7453 0.3764 ( 1224 PWs) bands (ev): -8.6772 -8.6772 -8.6770 -8.6770 -4.4348 -4.4348 -4.4342 -4.4342 -0.9801 -0.9801 -0.9786 -0.9786 2.0001 2.0001 2.0023 2.0023 3.5940 3.5940 3.5950 3.5950 7.7240 7.7240 7.7265 7.7265 10.7818 10.7818 10.7832 10.7832 17.2972 17.2972 17.2975 17.2975 19.2490 19.2490 19.2508 19.2508 k = 0.0000 0.7453 0.3764 ( 1224 PWs) bands (ev): -8.6772 -8.6772 -8.6770 -8.6770 -4.4348 -4.4348 -4.4342 -4.4342 -0.9801 -0.9801 -0.9786 -0.9786 2.0001 2.0001 2.0023 2.0023 3.5940 3.5940 3.5950 3.5950 7.7240 7.7240 7.7265 7.7265 10.7818 10.7818 10.7832 10.7832 17.2972 17.2972 17.2975 17.2975 19.2490 19.2490 19.2508 19.2508 k = 0.0106 0.7453 0.3764 ( 1226 PWs) bands (ev): -8.6768 -8.6768 -8.6766 -8.6766 -4.4359 -4.4359 -4.4353 -4.4353 -0.9818 -0.9818 -0.9803 -0.9803 2.0034 2.0034 2.0056 2.0056 3.5937 3.5937 3.5947 3.5947 7.7249 7.7249 7.7274 7.7274 10.7804 10.7804 10.7818 10.7818 17.2959 17.2959 17.2963 17.2963 19.2521 19.2521 19.2540 19.2540 k = 0.0213 0.7453 0.3764 ( 1226 PWs) bands (ev): -8.6755 -8.6755 -8.6753 -8.6753 -4.4393 -4.4393 -4.4387 -4.4387 -0.9868 -0.9868 -0.9853 -0.9853 2.0131 2.0131 2.0153 2.0153 3.5929 3.5929 3.5940 3.5940 7.7276 7.7276 7.7302 7.7302 10.7761 10.7761 10.7775 10.7775 17.2923 17.2923 17.2928 17.2928 19.2616 19.2616 19.2635 19.2635 k = 0.0319 0.7453 0.3764 ( 1226 PWs) bands (ev): -8.6735 -8.6735 -8.6733 -8.6733 -4.4450 -4.4450 -4.4443 -4.4443 -0.9950 -0.9950 -0.9936 -0.9936 2.0291 2.0291 2.0313 2.0313 3.5917 3.5917 3.5927 3.5927 7.7321 7.7321 7.7347 7.7347 10.7691 10.7691 10.7704 10.7704 17.2863 17.2863 17.2869 17.2869 19.2772 19.2772 19.2793 19.2793 k = 0.0425 0.7453 0.3764 ( 1224 PWs) bands (ev): -8.6707 -8.6707 -8.6704 -8.6704 -4.4529 -4.4529 -4.4522 -4.4522 -1.0061 -1.0061 -1.0047 -1.0047 2.0510 2.0510 2.0532 2.0532 3.5899 3.5899 3.5909 3.5909 7.7385 7.7385 7.7411 7.7411 10.7593 10.7593 10.7607 10.7607 17.2781 17.2781 17.2789 17.2789 19.2990 19.2990 19.3012 19.3012 k = 0.0532 0.7453 0.3764 ( 1226 PWs) bands (ev): -8.6671 -8.6671 -8.6668 -8.6668 -4.4630 -4.4630 -4.4623 -4.4623 -1.0198 -1.0198 -1.0183 -1.0183 2.0786 2.0786 2.0808 2.0808 3.5875 3.5875 3.5885 3.5885 7.7467 7.7467 7.7494 7.7494 10.7469 10.7469 10.7484 10.7484 17.2680 17.2680 17.2689 17.2689 19.3265 19.3265 19.3289 19.3289 k = 0.0638 0.7453 0.3764 ( 1228 PWs) bands (ev): -8.6627 -8.6627 -8.6625 -8.6625 -4.4754 -4.4754 -4.4747 -4.4747 -1.0356 -1.0356 -1.0341 -1.0341 2.1113 2.1113 2.1136 2.1136 3.5845 3.5845 3.5856 3.5856 7.7567 7.7567 7.7595 7.7595 10.7320 10.7320 10.7335 10.7335 17.2563 17.2563 17.2573 17.2573 19.3596 19.3596 19.3622 19.3622 k = 0.0744 0.7453 0.3764 ( 1226 PWs) bands (ev): -8.6576 -8.6576 -8.6574 -8.6574 -4.4899 -4.4899 -4.4892 -4.4892 -1.0530 -1.0530 -1.0516 -1.0516 2.1487 2.1487 2.1510 2.1510 3.5808 3.5808 3.5820 3.5820 7.7687 7.7687 7.7715 7.7715 10.7148 10.7148 10.7164 10.7164 17.2431 17.2431 17.2442 17.2442 19.3980 19.3980 19.4008 19.4008 k = 0.0851 0.7453 0.3764 ( 1226 PWs) bands (ev): -8.6519 -8.6519 -8.6516 -8.6516 -4.5067 -4.5067 -4.5059 -4.5059 -1.0717 -1.0717 -1.0702 -1.0702 2.1902 2.1902 2.1925 2.1925 3.5766 3.5766 3.5778 3.5778 7.7826 7.7826 7.7854 7.7854 10.6955 10.6955 10.6971 10.6971 17.2288 17.2288 17.2300 17.2300 19.4413 19.4413 19.4443 19.4443 k = 0.0957 0.7453 0.3764 ( 1224 PWs) bands (ev): -8.6455 -8.6455 -8.6453 -8.6453 -4.5256 -4.5256 -4.5248 -4.5248 -1.0910 -1.0910 -1.0896 -1.0896 2.2353 2.2353 2.2376 2.2376 3.5716 3.5716 3.5729 3.5729 7.7984 7.7984 7.8013 7.8013 10.6743 10.6743 10.6759 10.6759 17.2136 17.2136 17.2150 17.2150 19.4893 19.4893 19.4924 19.4924 k = 0.1063 0.7453 0.3764 ( 1222 PWs) bands (ev): -8.6385 -8.6385 -8.6383 -8.6383 -4.5466 -4.5466 -4.5457 -4.5457 -1.1106 -1.1106 -1.1091 -1.1091 2.2832 2.2832 2.2856 2.2856 3.5659 3.5659 3.5672 3.5672 7.8161 7.8161 7.8192 7.8192 10.6514 10.6514 10.6530 10.6530 17.1980 17.1980 17.1995 17.1995 19.5414 19.5414 19.5448 19.5448 k = 0.1170 0.7453 0.3764 ( 1222 PWs) bands (ev): -8.6310 -8.6310 -8.6308 -8.6308 -4.5696 -4.5696 -4.5687 -4.5687 -1.1298 -1.1298 -1.1284 -1.1284 2.3336 2.3336 2.3359 2.3359 3.5593 3.5593 3.5607 3.5607 7.8358 7.8358 7.8389 7.8389 10.6270 10.6270 10.6287 10.6287 17.1822 17.1822 17.1837 17.1837 19.5972 19.5972 19.6008 19.6008 k = 0.1276 0.7453 0.3764 ( 1226 PWs) bands (ev): -8.6231 -8.6231 -8.6228 -8.6228 -4.5945 -4.5945 -4.5936 -4.5936 -1.1484 -1.1484 -1.1470 -1.1470 2.3858 2.3858 2.3881 2.3881 3.5519 3.5519 3.5534 3.5534 7.8573 7.8573 7.8605 7.8605 10.6014 10.6014 10.6031 10.6031 17.1664 17.1664 17.1680 17.1680 19.6563 19.6563 19.6602 19.6602 k = 0.1382 0.7453 0.3764 ( 1226 PWs) bands (ev): -8.6148 -8.6148 -8.6145 -8.6145 -4.6212 -4.6212 -4.6203 -4.6203 -1.1659 -1.1659 -1.1645 -1.1645 2.4392 2.4392 2.4416 2.4416 3.5437 3.5437 3.5453 3.5453 7.8806 7.8806 7.8840 7.8840 10.5750 10.5750 10.5768 10.5768 17.1510 17.1510 17.1527 17.1527 19.7183 19.7183 19.7224 19.7224 k = 0.1489 0.7453 0.3764 ( 1224 PWs) bands (ev): -8.6062 -8.6062 -8.6059 -8.6059 -4.6497 -4.6497 -4.6487 -4.6487 -1.1819 -1.1819 -1.1805 -1.1805 2.4935 2.4935 2.4958 2.4958 3.5346 3.5346 3.5363 3.5363 7.9058 7.9058 7.9092 7.9092 10.5480 10.5480 10.5498 10.5498 17.1362 17.1362 17.1380 17.1380 19.7826 19.7826 19.7869 19.7869 k = 0.1595 0.7453 0.3764 ( 1220 PWs) bands (ev): -8.5974 -8.5974 -8.5971 -8.5971 -4.6796 -4.6796 -4.6786 -4.6786 -1.1961 -1.1961 -1.1947 -1.1947 2.5480 2.5480 2.5504 2.5504 3.5247 3.5247 3.5264 3.5264 7.9326 7.9326 7.9361 7.9361 10.5209 10.5209 10.5227 10.5227 17.1223 17.1223 17.1241 17.1241 19.8487 19.8487 19.8533 19.8533 k = 0.1701 0.7453 0.3764 ( 1220 PWs) bands (ev): -8.5885 -8.5885 -8.5882 -8.5882 -4.7109 -4.7109 -4.7098 -4.7098 -1.2082 -1.2082 -1.2069 -1.2069 2.6022 2.6022 2.6046 2.6046 3.5139 3.5139 3.5157 3.5157 7.9609 7.9609 7.9645 7.9645 10.4939 10.4939 10.4957 10.4957 17.1094 17.1094 17.1114 17.1114 19.9160 19.9160 19.9208 19.9208 k = 0.1808 0.7453 0.3764 ( 1224 PWs) bands (ev): -8.5795 -8.5795 -8.5792 -8.5792 -4.7433 -4.7433 -4.7422 -4.7422 -1.2182 -1.2182 -1.2168 -1.2168 2.6556 2.6556 2.6580 2.6580 3.5023 3.5023 3.5042 3.5042 7.9905 7.9905 7.9942 7.9942 10.4674 10.4674 10.4692 10.4692 17.0979 17.0979 17.0998 17.0998 19.9837 19.9837 19.9887 19.9887 k = 0.1914 0.7453 0.3764 ( 1228 PWs) bands (ev): -8.5708 -8.5708 -8.5705 -8.5705 -4.7766 -4.7766 -4.7755 -4.7755 -1.2256 -1.2256 -1.2242 -1.2242 2.7077 2.7077 2.7101 2.7101 3.4901 3.4901 3.4920 3.4920 8.0212 8.0212 8.0250 8.0250 10.4418 10.4418 10.4436 10.4436 17.0877 17.0877 17.0898 17.0898 20.0512 20.0512 20.0565 20.0565 k = 0.2020 0.7453 0.3764 ( 1226 PWs) bands (ev): -8.5622 -8.5622 -8.5619 -8.5619 -4.8105 -4.8105 -4.8094 -4.8094 -1.2305 -1.2305 -1.2291 -1.2291 2.7582 2.7582 2.7605 2.7605 3.4774 3.4774 3.4794 3.4794 8.0528 8.0528 8.0567 8.0567 10.4175 10.4175 10.4194 10.4194 17.0793 17.0793 17.0813 17.0813 20.1177 20.1177 20.1232 20.1232 k = 0.2127 0.7453 0.3764 ( 1228 PWs) bands (ev): -8.5541 -8.5541 -8.5538 -8.5538 -4.8449 -4.8449 -4.8438 -4.8438 -1.2326 -1.2326 -1.2312 -1.2312 2.8063 2.8063 2.8086 2.8086 3.4644 3.4644 3.4666 3.4666 8.0849 8.0849 8.0888 8.0888 10.3950 10.3950 10.3968 10.3968 17.0726 17.0726 17.0747 17.0747 20.1822 20.1822 20.1879 20.1879 k = 0.2233 0.7453 0.3764 ( 1230 PWs) bands (ev): -8.5465 -8.5465 -8.5461 -8.5461 -4.8793 -4.8793 -4.8782 -4.8782 -1.2320 -1.2320 -1.2306 -1.2306 2.8513 2.8513 2.8536 2.8536 3.4517 3.4517 3.4539 3.4539 8.1171 8.1171 8.1211 8.1211 10.3747 10.3747 10.3765 10.3765 17.0677 17.0677 17.0699 17.0699 20.2435 20.2435 20.2495 20.2495 k = 0.2339 0.7453 0.3764 ( 1230 PWs) bands (ev): -8.5395 -8.5395 -8.5392 -8.5392 -4.9135 -4.9135 -4.9124 -4.9124 -1.2286 -1.2286 -1.2272 -1.2272 2.8926 2.8926 2.8948 2.8948 3.4397 3.4397 3.4420 3.4420 8.1491 8.1491 8.1532 8.1532 10.3569 10.3569 10.3587 10.3587 17.0649 17.0649 17.0670 17.0670 20.3006 20.3006 20.3068 20.3068 k = 0.2446 0.7453 0.3764 ( 1230 PWs) bands (ev): -8.5335 -8.5335 -8.5331 -8.5331 -4.9472 -4.9472 -4.9460 -4.9460 -1.2224 -1.2224 -1.2210 -1.2210 2.9292 2.9292 2.9314 2.9314 3.4292 3.4292 3.4316 3.4316 8.1804 8.1804 8.1845 8.1845 10.3421 10.3421 10.3439 10.3439 17.0641 17.0641 17.0663 17.0663 20.3519 20.3519 20.3583 20.3583 k = 0.2552 0.7453 0.3764 ( 1230 PWs) bands (ev): -8.5284 -8.5284 -8.5280 -8.5280 -4.9800 -4.9800 -4.9788 -4.9788 -1.2134 -1.2134 -1.2120 -1.2120 2.9600 2.9600 2.9621 2.9621 3.4211 3.4211 3.4237 3.4237 8.2107 8.2107 8.2148 8.2148 10.3307 10.3307 10.3324 10.3324 17.0655 17.0655 17.0677 17.0677 20.3955 20.3955 20.4022 20.4022 k = 0.2658 0.7453 0.3764 ( 1230 PWs) bands (ev): -8.5245 -8.5245 -8.5242 -8.5242 -5.0116 -5.0116 -5.0104 -5.0104 -1.2016 -1.2016 -1.2003 -1.2003 2.9838 2.9838 2.9858 2.9858 3.4167 3.4167 3.4193 3.4193 8.2394 8.2394 8.2436 8.2436 10.3229 10.3229 10.3247 10.3247 17.0690 17.0690 17.0712 17.0712 20.4298 20.4298 20.4366 20.4366 k = 0.2765 0.7453 0.3764 ( 1228 PWs) bands (ev): -8.5220 -8.5220 -8.5216 -8.5216 -5.0416 -5.0416 -5.0404 -5.0404 -1.1872 -1.1872 -1.1859 -1.1859 2.9995 2.9995 3.0014 3.0014 3.4168 3.4168 3.4195 3.4195 8.2662 8.2662 8.2704 8.2704 10.3192 10.3192 10.3210 10.3210 17.0747 17.0747 17.0770 17.0770 20.4527 20.4527 20.4596 20.4596 k = 0.2871 0.7453 0.3764 ( 1228 PWs) bands (ev): -8.5210 -8.5210 -8.5206 -8.5206 -5.0698 -5.0698 -5.0686 -5.0686 -1.1702 -1.1702 -1.1688 -1.1688 3.0064 3.0064 3.0082 3.0082 3.4222 3.4222 3.4250 3.4250 8.2907 8.2907 8.2949 8.2949 10.3197 10.3197 10.3215 10.3215 17.0827 17.0827 17.0849 17.0849 20.4625 20.4625 20.4693 20.4693 k = 0.2871 0.7453 0.3764 ( 1228 PWs) bands (ev): -8.5210 -8.5210 -8.5206 -8.5206 -5.0698 -5.0698 -5.0686 -5.0686 -1.1702 -1.1702 -1.1688 -1.1688 3.0064 3.0064 3.0082 3.0082 3.4222 3.4222 3.4250 3.4250 8.2907 8.2907 8.2949 8.2949 10.3197 10.3197 10.3215 10.3215 17.0827 17.0827 17.0849 17.0849 20.4625 20.4625 20.4693 20.4693 k = 0.2832 0.7351 0.3764 ( 1226 PWs) bands (ev): -8.5233 -8.5233 -8.5230 -8.5230 -4.9915 -4.9915 -4.9903 -4.9903 -1.2203 -1.2203 -1.2189 -1.2189 2.9963 2.9963 2.9983 2.9983 3.4018 3.4018 3.4044 3.4044 8.2258 8.2258 8.2301 8.2301 10.3120 10.3120 10.3138 10.3138 17.0583 17.0583 17.0605 17.0605 20.4540 20.4540 20.4610 20.4610 k = 0.2792 0.7249 0.3764 ( 1226 PWs) bands (ev): -8.5294 -8.5294 -8.5290 -8.5290 -4.9117 -4.9117 -4.9105 -4.9105 -1.2657 -1.2657 -1.2644 -1.2644 2.9795 2.9795 2.9817 2.9817 3.3867 3.3867 3.3893 3.3893 8.1643 8.1643 8.1685 8.1685 10.3039 10.3039 10.3057 10.3057 17.0370 17.0370 17.0392 17.0392 20.4443 20.4443 20.4515 20.4515 k = 0.2753 0.7147 0.3764 ( 1226 PWs) bands (ev): -8.5391 -8.5391 -8.5388 -8.5388 -4.8304 -4.8304 -4.8292 -4.8292 -1.3066 -1.3066 -1.3052 -1.3052 2.9565 2.9565 2.9589 2.9589 3.3766 3.3766 3.3793 3.3793 8.1062 8.1062 8.1104 8.1104 10.2953 10.2953 10.2971 10.2971 17.0188 17.0188 17.0210 17.0210 20.4335 20.4335 20.4408 20.4408 k = 0.2714 0.7045 0.3764 ( 1226 PWs) bands (ev): -8.5526 -8.5526 -8.5522 -8.5522 -4.7477 -4.7477 -4.7466 -4.7466 -1.3429 -1.3429 -1.3415 -1.3415 2.9282 2.9282 2.9307 2.9307 3.3709 3.3709 3.3736 3.3736 8.0515 8.0515 8.0557 8.0557 10.2863 10.2863 10.2881 10.2881 17.0038 17.0038 17.0060 17.0060 20.4217 20.4217 20.4290 20.4290 k = 0.2674 0.6943 0.3764 ( 1226 PWs) bands (ev): -8.5697 -8.5697 -8.5694 -8.5694 -4.6637 -4.6637 -4.6625 -4.6625 -1.3747 -1.3747 -1.3733 -1.3733 2.8956 2.8956 2.8982 2.8982 3.3686 3.3686 3.3712 3.3712 8.0003 8.0003 8.0045 8.0045 10.2767 10.2767 10.2786 10.2786 16.9920 16.9920 16.9941 16.9941 20.4089 20.4089 20.4164 20.4164 k = 0.2635 0.6841 0.3764 ( 1226 PWs) bands (ev): -8.5905 -8.5905 -8.5902 -8.5902 -4.5783 -4.5783 -4.5772 -4.5772 -1.4024 -1.4024 -1.4009 -1.4009 2.8597 2.8597 2.8625 2.8625 3.3687 3.3687 3.3713 3.3713 7.9528 7.9528 7.9570 7.9570 10.2666 10.2666 10.2685 10.2685 16.9832 16.9832 16.9854 16.9854 20.3953 20.3953 20.4028 20.4028 k = 0.2596 0.6739 0.3764 ( 1230 PWs) bands (ev): -8.6149 -8.6149 -8.6146 -8.6146 -4.4917 -4.4917 -4.4906 -4.4906 -1.4258 -1.4258 -1.4244 -1.4244 2.8216 2.8216 2.8244 2.8244 3.3704 3.3704 3.3731 3.3731 7.9089 7.9089 7.9132 7.9132 10.2561 10.2561 10.2580 10.2580 16.9776 16.9776 16.9797 16.9797 20.3810 20.3810 20.3886 20.3886 k = 0.2556 0.6636 0.3764 ( 1224 PWs) bands (ev): -8.6428 -8.6428 -8.6425 -8.6425 -4.4040 -4.4040 -4.4029 -4.4029 -1.4454 -1.4454 -1.4439 -1.4439 2.7820 2.7820 2.7849 2.7849 3.3731 3.3731 3.3759 3.3759 7.8688 7.8688 7.8731 7.8731 10.2451 10.2451 10.2470 10.2470 16.9749 16.9749 16.9770 16.9770 20.3663 20.3663 20.3739 20.3739 k = 0.2517 0.6534 0.3764 ( 1232 PWs) bands (ev): -8.6740 -8.6740 -8.6737 -8.6737 -4.3152 -4.3152 -4.3141 -4.3141 -1.4611 -1.4611 -1.4597 -1.4597 2.7415 2.7415 2.7445 2.7445 3.3763 3.3763 3.3791 3.3791 7.8322 7.8322 7.8366 7.8366 10.2335 10.2335 10.2354 10.2354 16.9751 16.9751 16.9772 16.9772 20.3511 20.3511 20.3588 20.3588 k = 0.2478 0.6432 0.3764 ( 1232 PWs) bands (ev): -8.7084 -8.7084 -8.7082 -8.7082 -4.2256 -4.2256 -4.2245 -4.2245 -1.4733 -1.4733 -1.4718 -1.4718 2.7007 2.7007 2.7037 2.7037 3.3798 3.3798 3.3826 3.3826 7.7995 7.7995 7.8039 7.8039 10.2215 10.2215 10.2235 10.2235 16.9780 16.9780 16.9801 16.9801 20.3359 20.3359 20.3435 20.3435 k = 0.2438 0.6330 0.3764 ( 1232 PWs) bands (ev): -8.7459 -8.7459 -8.7457 -8.7457 -4.1353 -4.1353 -4.1342 -4.1342 -1.4821 -1.4821 -1.4806 -1.4806 2.6600 2.6600 2.6630 2.6630 3.3833 3.3833 3.3861 3.3861 7.7706 7.7706 7.7750 7.7750 10.2092 10.2092 10.2112 10.2112 16.9835 16.9835 16.9856 16.9856 20.3206 20.3206 20.3283 20.3283 k = 0.2399 0.6228 0.3764 ( 1232 PWs) bands (ev): -8.7863 -8.7863 -8.7861 -8.7861 -4.0444 -4.0444 -4.0433 -4.0433 -1.4877 -1.4877 -1.4861 -1.4861 2.6197 2.6197 2.6228 2.6228 3.3866 3.3866 3.3895 3.3895 7.7454 7.7454 7.7499 7.7499 10.1965 10.1965 10.1985 10.1985 16.9915 16.9915 16.9935 16.9935 20.3056 20.3056 20.3133 20.3133 k = 0.2360 0.6126 0.3764 ( 1236 PWs) bands (ev): -8.8294 -8.8294 -8.8292 -8.8292 -3.9532 -3.9532 -3.9522 -3.9522 -1.4903 -1.4903 -1.4887 -1.4887 2.5802 2.5802 2.5832 2.5832 3.3897 3.3897 3.3927 3.3927 7.7240 7.7240 7.7286 7.7286 10.1835 10.1835 10.1855 10.1855 17.0016 17.0016 17.0036 17.0036 20.2909 20.2909 20.2987 20.2987 k = 0.2320 0.6024 0.3764 ( 1240 PWs) bands (ev): -8.8751 -8.8751 -8.8749 -8.8749 -3.8619 -3.8619 -3.8609 -3.8609 -1.4900 -1.4900 -1.4884 -1.4884 2.5417 2.5417 2.5447 2.5447 3.3925 3.3925 3.3955 3.3955 7.7063 7.7063 7.7109 7.7109 10.1702 10.1702 10.1723 10.1723 17.0138 17.0138 17.0157 17.0157 20.2770 20.2770 20.2847 20.2847 k = 0.2281 0.5922 0.3764 ( 1244 PWs) bands (ev): -8.9231 -8.9231 -8.9229 -8.9229 -3.7707 -3.7707 -3.7697 -3.7697 -1.4871 -1.4871 -1.4855 -1.4855 2.5045 2.5045 2.5075 2.5075 3.3951 3.3951 3.3981 3.3981 7.6923 7.6923 7.6970 7.6970 10.1568 10.1568 10.1589 10.1589 17.0277 17.0277 17.0296 17.0296 20.2639 20.2639 20.2716 20.2716 k = 0.2242 0.5820 0.3764 ( 1240 PWs) bands (ev): -8.9733 -8.9733 -8.9731 -8.9731 -3.6800 -3.6800 -3.6790 -3.6790 -1.4816 -1.4816 -1.4800 -1.4800 2.4688 2.4688 2.4719 2.4719 3.3974 3.3974 3.4005 3.4005 7.6822 7.6822 7.6869 7.6869 10.1433 10.1433 10.1454 10.1454 17.0431 17.0431 17.0450 17.0450 20.2520 20.2520 20.2597 20.2597 k = 0.2202 0.5718 0.3764 ( 1232 PWs) bands (ev): -9.0254 -9.0254 -9.0252 -9.0252 -3.5899 -3.5899 -3.5889 -3.5889 -1.4737 -1.4737 -1.4720 -1.4720 2.4350 2.4350 2.4381 2.4381 3.3995 3.3995 3.4026 3.4026 7.6758 7.6758 7.6806 7.6806 10.1298 10.1298 10.1319 10.1319 17.0598 17.0598 17.0617 17.0617 20.2415 20.2415 20.2492 20.2492 k = 0.2163 0.5615 0.3764 ( 1236 PWs) bands (ev): -9.0792 -9.0792 -9.0790 -9.0790 -3.5010 -3.5010 -3.5000 -3.5000 -1.4636 -1.4636 -1.4619 -1.4619 2.4032 2.4032 2.4063 2.4063 3.4013 3.4013 3.4045 3.4045 7.6729 7.6729 7.6778 7.6778 10.1162 10.1162 10.1183 10.1183 17.0774 17.0774 17.0792 17.0792 20.2324 20.2324 20.2400 20.2400 k = 0.2124 0.5513 0.3764 ( 1232 PWs) bands (ev): -9.1347 -9.1347 -9.1345 -9.1345 -3.4135 -3.4135 -3.4125 -3.4125 -1.4512 -1.4512 -1.4494 -1.4494 2.3737 2.3737 2.3767 2.3767 3.4030 3.4030 3.4062 3.4062 7.6738 7.6738 7.6787 7.6787 10.1027 10.1027 10.1049 10.1049 17.0957 17.0957 17.0974 17.0974 20.2251 20.2251 20.2328 20.2328 k = 0.2084 0.5411 0.3764 ( 1232 PWs) bands (ev): -9.1915 -9.1915 -9.1913 -9.1913 -3.3279 -3.3279 -3.3269 -3.3269 -1.4368 -1.4368 -1.4349 -1.4349 2.3466 2.3466 2.3497 2.3497 3.4046 3.4046 3.4079 3.4079 7.6782 7.6782 7.6832 7.6832 10.0894 10.0894 10.0916 10.0916 17.1143 17.1143 17.1160 17.1160 20.2199 20.2199 20.2275 20.2275 k = 0.2045 0.5309 0.3764 ( 1232 PWs) bands (ev): -9.2495 -9.2495 -9.2493 -9.2493 -3.2445 -3.2445 -3.2435 -3.2435 -1.4202 -1.4202 -1.4183 -1.4183 2.3224 2.3224 2.3255 2.3255 3.4061 3.4061 3.4094 3.4094 7.6863 7.6863 7.6914 7.6914 10.0762 10.0762 10.0784 10.0784 17.1329 17.1329 17.1345 17.1345 20.2168 20.2168 20.2244 20.2244 k = 0.2006 0.5207 0.3764 ( 1232 PWs) bands (ev): -9.3085 -9.3085 -9.3084 -9.3084 -3.1638 -3.1638 -3.1627 -3.1627 -1.4015 -1.4015 -1.3996 -1.3996 2.3012 2.3012 2.3042 2.3042 3.4076 3.4076 3.4109 3.4109 7.6981 7.6981 7.7032 7.7032 10.0632 10.0632 10.0655 10.0655 17.1512 17.1512 17.1528 17.1528 20.2162 20.2162 20.2238 20.2238 k = 0.1966 0.5105 0.3764 ( 1232 PWs) bands (ev): -9.3684 -9.3684 -9.3683 -9.3683 -3.0862 -3.0862 -3.0851 -3.0851 -1.3809 -1.3809 -1.3788 -1.3788 2.2832 2.2832 2.2863 2.2863 3.4090 3.4090 3.4124 3.4124 7.7134 7.7134 7.7186 7.7186 10.0505 10.0505 10.0528 10.0528 17.1690 17.1690 17.1705 17.1705 20.2183 20.2183 20.2258 20.2258 k = 0.1927 0.5003 0.3764 ( 1232 PWs) bands (ev): -9.4290 -9.4290 -9.4288 -9.4288 -3.0121 -3.0121 -3.0110 -3.0110 -1.3581 -1.3581 -1.3561 -1.3561 2.2688 2.2688 2.2719 2.2719 3.4105 3.4105 3.4138 3.4138 7.7323 7.7323 7.7376 7.7376 10.0381 10.0381 10.0404 10.0404 17.1858 17.1858 17.1873 17.1873 20.2230 20.2230 20.2306 20.2306 k = 0.1888 0.4901 0.3764 ( 1224 PWs) bands (ev): -9.4901 -9.4901 -9.4899 -9.4899 -2.9420 -2.9420 -2.9408 -2.9408 -1.3334 -1.3334 -1.3313 -1.3313 2.2584 2.2584 2.2614 2.2614 3.4120 3.4120 3.4153 3.4153 7.7549 7.7549 7.7602 7.7602 10.0261 10.0261 10.0283 10.0283 17.2015 17.2015 17.2029 17.2029 20.2308 20.2308 20.2383 20.2383 k = 0.1848 0.4799 0.3764 ( 1224 PWs) bands (ev): -9.5515 -9.5515 -9.5514 -9.5514 -2.8762 -2.8762 -2.8749 -2.8749 -1.3068 -1.3068 -1.3046 -1.3046 2.2520 2.2520 2.2550 2.2550 3.4134 3.4134 3.4168 3.4168 7.7811 7.7811 7.7864 7.7864 10.0143 10.0143 10.0166 10.0166 17.2156 17.2156 17.2170 17.2170 20.2415 20.2415 20.2490 20.2490 k = 0.1809 0.4697 0.3764 ( 1220 PWs) bands (ev): -9.6132 -9.6132 -9.6131 -9.6131 -2.8150 -2.8150 -2.8137 -2.8137 -1.2783 -1.2783 -1.2760 -1.2760 2.2501 2.2501 2.2531 2.2531 3.4150 3.4150 3.4184 3.4184 7.8108 7.8108 7.8162 7.8162 10.0029 10.0029 10.0052 10.0052 17.2281 17.2281 17.2294 17.2294 20.2554 20.2554 20.2629 20.2629 k = 0.1770 0.4594 0.3764 ( 1220 PWs) bands (ev): -9.6750 -9.6750 -9.6749 -9.6749 -2.7588 -2.7588 -2.7574 -2.7574 -1.2481 -1.2481 -1.2459 -1.2459 2.2530 2.2530 2.2560 2.2560 3.4165 3.4165 3.4199 3.4199 7.8440 7.8440 7.8494 7.8494 9.9920 9.9920 9.9943 9.9943 17.2386 17.2386 17.2398 17.2398 20.2724 20.2724 20.2798 20.2798 k = 0.1730 0.4492 0.3764 ( 1220 PWs) bands (ev): -9.7368 -9.7368 -9.7366 -9.7366 -2.7077 -2.7077 -2.7063 -2.7063 -1.2165 -1.2165 -1.2142 -1.2142 2.2608 2.2608 2.2638 2.2638 3.4180 3.4180 3.4214 3.4214 7.8808 7.8808 7.8863 7.8863 9.9814 9.9814 9.9838 9.9838 17.2469 17.2469 17.2481 17.2481 20.2924 20.2924 20.2999 20.2999 k = 0.1691 0.4390 0.3764 ( 1216 PWs) bands (ev): -9.7984 -9.7984 -9.7982 -9.7982 -2.6618 -2.6618 -2.6604 -2.6604 -1.1838 -1.1838 -1.1815 -1.1815 2.2740 2.2740 2.2770 2.2770 3.4195 3.4195 3.4229 3.4229 7.9211 7.9211 7.9267 7.9267 9.9713 9.9713 9.9737 9.9737 17.2529 17.2529 17.2540 17.2540 20.3156 20.3156 20.3230 20.3230 k = 0.1652 0.4288 0.3764 ( 1216 PWs) bands (ev): -9.8597 -9.8597 -9.8596 -9.8596 -2.6211 -2.6211 -2.6197 -2.6197 -1.1502 -1.1502 -1.1479 -1.1479 2.2928 2.2928 2.2958 2.2958 3.4209 3.4209 3.4243 3.4243 7.9649 7.9649 7.9705 7.9705 9.9617 9.9617 9.9641 9.9641 17.2564 17.2564 17.2574 17.2574 20.3416 20.3416 20.3490 20.3490 k = 0.1612 0.4186 0.3764 ( 1216 PWs) bands (ev): -9.9206 -9.9206 -9.9205 -9.9205 -2.5855 -2.5855 -2.5841 -2.5841 -1.1163 -1.1163 -1.1140 -1.1140 2.3174 2.3174 2.3204 2.3204 3.4223 3.4223 3.4257 3.4257 8.0122 8.0122 8.0178 8.0178 9.9524 9.9524 9.9549 9.9549 17.2572 17.2572 17.2583 17.2583 20.3704 20.3704 20.3778 20.3778 k = 0.1573 0.4084 0.3764 ( 1216 PWs) bands (ev): -9.9811 -9.9811 -9.9810 -9.9810 -2.5549 -2.5549 -2.5535 -2.5535 -1.0824 -1.0824 -1.0801 -1.0801 2.3480 2.3480 2.3510 2.3510 3.4236 3.4236 3.4270 3.4270 8.0628 8.0628 8.0685 8.0685 9.9437 9.9437 9.9462 9.9462 17.2554 17.2554 17.2564 17.2564 20.4018 20.4018 20.4092 20.4092 k = 0.1534 0.3982 0.3764 ( 1218 PWs) bands (ev): -10.0410 -10.0410 -10.0408 -10.0408 -2.5291 -2.5291 -2.5276 -2.5276 -1.0490 -1.0490 -1.0468 -1.0468 2.3847 2.3847 2.3877 2.3877 3.4248 3.4248 3.4282 3.4282 8.1168 8.1168 8.1225 8.1225 9.9353 9.9353 9.9379 9.9379 17.2508 17.2508 17.2518 17.2518 20.4353 20.4353 20.4428 20.4428 k = 0.1494 0.3880 0.3764 ( 1226 PWs) bands (ev): -10.1002 -10.1002 -10.1001 -10.1001 -2.5076 -2.5076 -2.5062 -2.5062 -1.0166 -1.0166 -1.0144 -1.0144 2.4276 2.4276 2.4306 2.4306 3.4260 3.4260 3.4294 3.4294 8.1738 8.1738 8.1796 8.1796 9.9274 9.9274 9.9301 9.9301 17.2433 17.2433 17.2443 17.2443 20.4705 20.4705 20.4780 20.4780 k = 0.1455 0.3778 0.3764 ( 1226 PWs) bands (ev): -10.1586 -10.1586 -10.1585 -10.1585 -2.4903 -2.4903 -2.4889 -2.4889 -0.9856 -0.9856 -0.9835 -0.9835 2.4767 2.4767 2.4797 2.4797 3.4271 3.4271 3.4306 3.4306 8.2341 8.2341 8.2399 8.2399 9.9201 9.9201 9.9228 9.9228 17.2332 17.2332 17.2341 17.2341 20.5072 20.5072 20.5148 20.5148 k = 0.1416 0.3676 0.3764 ( 1230 PWs) bands (ev): -10.2162 -10.2162 -10.2161 -10.2161 -2.4768 -2.4768 -2.4754 -2.4754 -0.9563 -0.9563 -0.9543 -0.9543 2.5319 2.5319 2.5349 2.5349 3.4283 3.4283 3.4318 3.4318 8.2973 8.2973 8.3032 8.3032 9.9133 9.9133 9.9161 9.9161 17.2202 17.2202 17.2212 17.2212 20.5445 20.5445 20.5522 20.5522 k = 0.1376 0.3573 0.3764 ( 1230 PWs) bands (ev): -10.2729 -10.2729 -10.2728 -10.2728 -2.4668 -2.4668 -2.4654 -2.4654 -0.9292 -0.9292 -0.9272 -0.9272 2.5930 2.5930 2.5961 2.5961 3.4298 3.4298 3.4332 3.4332 8.3634 8.3634 8.3693 8.3693 9.9070 9.9070 9.9099 9.9099 17.2044 17.2044 17.2054 17.2054 20.5818 20.5818 20.5896 20.5896 k = 0.1337 0.3471 0.3764 ( 1230 PWs) bands (ev): -10.3286 -10.3286 -10.3285 -10.3285 -2.4599 -2.4599 -2.4586 -2.4586 -0.9043 -0.9043 -0.9024 -0.9024 2.6597 2.6597 2.6628 2.6628 3.4315 3.4315 3.4351 3.4351 8.4320 8.4320 8.4380 8.4380 9.9014 9.9014 9.9044 9.9044 17.1859 17.1859 17.1869 17.1869 20.6182 20.6182 20.6260 20.6260 k = 0.1298 0.3369 0.3764 ( 1234 PWs) bands (ev): -10.3833 -10.3833 -10.3832 -10.3832 -2.4558 -2.4558 -2.4545 -2.4545 -0.8819 -0.8819 -0.8801 -0.8801 2.7313 2.7313 2.7344 2.7344 3.4340 3.4340 3.4376 3.4376 8.5030 8.5030 8.5091 8.5091 9.8964 9.8964 9.8995 9.8995 17.1647 17.1647 17.1657 17.1657 20.6522 20.6522 20.6602 20.6602 k = 0.1258 0.3267 0.3764 ( 1226 PWs) bands (ev): -10.4368 -10.4368 -10.4367 -10.4367 -2.4542 -2.4542 -2.4530 -2.4530 -0.8621 -0.8621 -0.8604 -0.8604 2.8071 2.8071 2.8104 2.8104 3.4377 3.4377 3.4414 3.4414 8.5762 8.5762 8.5824 8.5824 9.8922 9.8922 9.8954 9.8954 17.1408 17.1408 17.1419 17.1419 20.6827 20.6827 20.6908 20.6908 k = 0.1219 0.3165 0.3764 ( 1222 PWs) bands (ev): -10.4892 -10.4892 -10.4891 -10.4891 -2.4548 -2.4548 -2.4536 -2.4536 -0.8448 -0.8448 -0.8432 -0.8432 2.8859 2.8859 2.8894 2.8894 3.4435 3.4435 3.4473 3.4473 8.6512 8.6512 8.6575 8.6575 9.8888 9.8888 9.8922 9.8922 17.1143 17.1143 17.1154 17.1154 20.7072 20.7072 20.7155 20.7155 k = 0.1180 0.3063 0.3764 ( 1226 PWs) bands (ev): -10.5403 -10.5403 -10.5403 -10.5403 -2.4574 -2.4574 -2.4562 -2.4562 -0.8302 -0.8302 -0.8287 -0.8287 2.9659 2.9659 2.9696 2.9696 3.4527 3.4527 3.4566 3.4566 8.7275 8.7275 8.7339 8.7339 9.8864 9.8864 9.8900 9.8900 17.0851 17.0851 17.0862 17.0862 20.7233 20.7233 20.7318 20.7318 k = 0.1141 0.2961 0.3764 ( 1226 PWs) bands (ev): -10.5902 -10.5902 -10.5901 -10.5901 -2.4616 -2.4616 -2.4604 -2.4604 -0.8180 -0.8180 -0.8166 -0.8166 3.0443 3.0443 3.0482 3.0482 3.4679 3.4679 3.4719 3.4719 8.8049 8.8049 8.8115 8.8115 9.8852 9.8852 9.8890 9.8890 17.0533 17.0533 17.0545 17.0545 20.7284 20.7284 20.7370 20.7370 k = 0.1101 0.2859 0.3764 ( 1226 PWs) bands (ev): -10.6388 -10.6388 -10.6387 -10.6387 -2.4673 -2.4673 -2.4662 -2.4662 -0.8082 -0.8082 -0.8069 -0.8069 3.1168 3.1168 3.1208 3.1208 3.4930 3.4930 3.4971 3.4971 8.8828 8.8828 8.8895 8.8895 9.8855 9.8855 9.8895 9.8895 17.0190 17.0190 17.0202 17.0202 20.7192 20.7192 20.7277 20.7277 k = 0.1062 0.2757 0.3764 ( 1218 PWs) bands (ev): -10.6859 -10.6859 -10.6859 -10.6859 -2.4742 -2.4742 -2.4731 -2.4731 -0.8006 -0.8006 -0.7993 -0.7993 3.1778 3.1778 3.1817 3.1817 3.5333 3.5333 3.5372 3.5372 8.9606 8.9606 8.9675 8.9675 9.8877 9.8877 9.8920 9.8920 16.9822 16.9822 16.9835 16.9835 20.6932 20.6932 20.7016 20.7016 k = 0.1023 0.2655 0.3764 ( 1218 PWs) bands (ev): -10.7317 -10.7317 -10.7316 -10.7316 -2.4821 -2.4821 -2.4811 -2.4811 -0.7951 -0.7951 -0.7939 -0.7939 3.2229 3.2229 3.2264 3.2264 3.5928 3.5928 3.5963 3.5963 9.0374 9.0374 9.0445 9.0445 9.8921 9.8921 9.8968 9.8968 16.9428 16.9428 16.9441 16.9441 20.6488 20.6488 20.6568 20.6568 k = 0.0983 0.2552 0.3764 ( 1218 PWs) bands (ev): -10.7760 -10.7760 -10.7760 -10.7760 -2.4909 -2.4909 -2.4900 -2.4900 -0.7914 -0.7914 -0.7903 -0.7903 3.2523 3.2523 3.2552 3.2552 3.6707 3.6707 3.6736 3.6736 9.1124 9.1124 9.1196 9.1196 9.8996 9.8996 9.9045 9.9045 16.9010 16.9010 16.9022 16.9022 20.5866 20.5866 20.5941 20.5941 k = 0.0944 0.2450 0.3764 ( 1210 PWs) bands (ev): -10.8189 -10.8189 -10.8188 -10.8188 -2.5004 -2.5004 -2.4995 -2.4995 -0.7895 -0.7895 -0.7884 -0.7884 3.2696 3.2696 3.2721 3.2721 3.7628 3.7628 3.7651 3.7651 9.1845 9.1845 9.1919 9.1919 9.9110 9.9110 9.9162 9.9162 16.8566 16.8566 16.8579 16.8579 20.5089 20.5089 20.5157 20.5157 k = 0.0905 0.2348 0.3764 ( 1210 PWs) bands (ev): -10.8602 -10.8602 -10.8601 -10.8601 -2.5105 -2.5105 -2.5096 -2.5096 -0.7890 -0.7890 -0.7880 -0.7880 3.2790 3.2790 3.2811 3.2811 3.8642 3.8642 3.8661 3.8661 9.2522 9.2522 9.2598 9.2598 9.9271 9.9271 9.9327 9.9327 16.8098 16.8098 16.8112 16.8112 20.4188 20.4188 20.4251 20.4251 k = 0.0865 0.2246 0.3764 ( 1208 PWs) bands (ev): -10.8999 -10.8999 -10.8999 -10.8999 -2.5209 -2.5209 -2.5201 -2.5201 -0.7898 -0.7898 -0.7889 -0.7889 3.2834 3.2834 3.2852 3.2852 3.9717 3.9717 3.9733 3.9733 9.3142 9.3142 9.3218 9.3218 9.9493 9.9493 9.9551 9.9551 16.7607 16.7607 16.7620 16.7620 20.3199 20.3199 20.3256 20.3256 k = 0.0826 0.2144 0.3764 ( 1208 PWs) bands (ev): -10.9381 -10.9381 -10.9381 -10.9381 -2.5317 -2.5317 -2.5309 -2.5309 -0.7918 -0.7918 -0.7910 -0.7910 3.2845 3.2845 3.2862 3.2862 4.0830 4.0830 4.0843 4.0843 9.3690 9.3690 9.3766 9.3766 9.9786 9.9786 9.9844 9.9844 16.7092 16.7092 16.7106 16.7106 20.2155 20.2155 20.2207 20.2207 k = 0.0787 0.2042 0.3764 ( 1212 PWs) bands (ev): -10.9747 -10.9747 -10.9747 -10.9747 -2.5426 -2.5426 -2.5418 -2.5418 -0.7947 -0.7947 -0.7939 -0.7939 3.2836 3.2836 3.2851 3.2851 4.1964 4.1964 4.1976 4.1976 9.4156 9.4156 9.4230 9.4230 10.0156 10.0156 10.0214 10.0214 16.6555 16.6555 16.6569 16.6569 20.1082 20.1082 20.1130 20.1130 k = 0.0747 0.1940 0.3764 ( 1212 PWs) bands (ev): -11.0096 -11.0096 -11.0096 -11.0096 -2.5535 -2.5535 -2.5528 -2.5528 -0.7984 -0.7984 -0.7977 -0.7977 3.2812 3.2812 3.2826 3.2826 4.3108 4.3108 4.3120 4.3120 9.4537 9.4537 9.4607 9.4607 10.0606 10.0606 10.0661 10.0661 16.5998 16.5998 16.6012 16.6012 20.0004 20.0004 20.0048 20.0048 k = 0.0708 0.1838 0.3764 ( 1212 PWs) bands (ev): -11.0429 -11.0429 -11.0429 -11.0429 -2.5644 -2.5644 -2.5637 -2.5637 -0.8028 -0.8028 -0.8021 -0.8021 3.2779 3.2779 3.2792 3.2792 4.4254 4.4254 4.4264 4.4264 9.4835 9.4835 9.4900 9.4900 10.1128 10.1128 10.1179 10.1179 16.5423 16.5423 16.5436 16.5436 19.8938 19.8938 19.8978 19.8978 k = 0.0669 0.1736 0.3764 ( 1208 PWs) bands (ev): -11.0745 -11.0745 -11.0745 -11.0745 -2.5751 -2.5751 -2.5745 -2.5745 -0.8076 -0.8076 -0.8069 -0.8069 3.2740 3.2740 3.2752 3.2752 4.5392 4.5392 4.5402 4.5402 9.5060 9.5060 9.5119 9.5119 10.1708 10.1708 10.1755 10.1755 16.4832 16.4832 16.4845 16.4845 19.7897 19.7897 19.7935 19.7935 k = 0.0629 0.1634 0.3764 ( 1200 PWs) bands (ev): -11.1044 -11.1044 -11.1044 -11.1044 -2.5856 -2.5856 -2.5850 -2.5850 -0.8127 -0.8127 -0.8121 -0.8121 3.2697 3.2697 3.2708 3.2708 4.6516 4.6516 4.6526 4.6526 9.5225 9.5225 9.5278 9.5278 10.2331 10.2331 10.2373 10.2373 16.4228 16.4228 16.4241 16.4241 19.6893 19.6893 19.6928 19.6928 k = 0.0590 0.1531 0.3764 ( 1196 PWs) bands (ev): -11.1326 -11.1326 -11.1325 -11.1325 -2.5958 -2.5958 -2.5953 -2.5953 -0.8181 -0.8181 -0.8176 -0.8176 3.2651 3.2651 3.2662 3.2662 4.7618 4.7618 4.7627 4.7627 9.5340 9.5340 9.5387 9.5387 10.2978 10.2978 10.3016 10.3016 16.3616 16.3616 16.3628 16.3628 19.5934 19.5934 19.5966 19.5966 k = 0.0551 0.1429 0.3764 ( 1196 PWs) bands (ev): -11.1590 -11.1590 -11.1590 -11.1590 -2.6057 -2.6057 -2.6052 -2.6052 -0.8237 -0.8237 -0.8232 -0.8232 3.2604 3.2604 3.2614 3.2614 4.8691 4.8691 4.8700 4.8700 9.5416 9.5416 9.5458 9.5458 10.3635 10.3635 10.3669 10.3669 16.2998 16.2998 16.3010 16.3010 19.5027 19.5027 19.5056 19.5056 k = 0.0511 0.1327 0.3764 ( 1192 PWs) bands (ev): -11.1837 -11.1837 -11.1836 -11.1836 -2.6151 -2.6151 -2.6146 -2.6146 -0.8292 -0.8292 -0.8288 -0.8288 3.2557 3.2557 3.2566 3.2566 4.9729 4.9729 4.9737 4.9737 9.5463 9.5463 9.5500 9.5500 10.4291 10.4291 10.4321 10.4321 16.2382 16.2382 16.2393 16.2393 19.4176 19.4176 19.4203 19.4203 k = 0.0472 0.1225 0.3764 ( 1188 PWs) bands (ev): -11.2066 -11.2066 -11.2065 -11.2065 -2.6240 -2.6240 -2.6236 -2.6236 -0.8347 -0.8347 -0.8343 -0.8343 3.2510 3.2510 3.2519 3.2519 5.0725 5.0725 5.0733 5.0733 9.5488 9.5488 9.5521 9.5521 10.4934 10.4934 10.4961 10.4961 16.1773 16.1773 16.1783 16.1783 19.3385 19.3385 19.3409 19.3409 k = 0.0433 0.1123 0.3764 ( 1188 PWs) bands (ev): -11.2277 -11.2277 -11.2276 -11.2276 -2.6324 -2.6324 -2.6320 -2.6320 -0.8401 -0.8401 -0.8397 -0.8397 3.2465 3.2465 3.2473 3.2473 5.1672 5.1672 5.1679 5.1679 9.5496 9.5496 9.5525 9.5525 10.5555 10.5555 10.5579 10.5579 16.1176 16.1176 16.1186 16.1186 19.2656 19.2656 19.2679 19.2679 k = 0.0393 0.1021 0.3764 ( 1188 PWs) bands (ev): -11.2470 -11.2470 -11.2470 -11.2470 -2.6403 -2.6403 -2.6399 -2.6399 -0.8452 -0.8452 -0.8448 -0.8448 3.2422 3.2422 3.2429 3.2429 5.2565 5.2565 5.2572 5.2572 9.5492 9.5492 9.5517 9.5517 10.6146 10.6146 10.6168 10.6168 16.0600 16.0600 16.0608 16.0608 19.1991 19.1991 19.2012 19.2012 k = 0.0354 0.0919 0.3764 ( 1184 PWs) bands (ev): -11.2645 -11.2645 -11.2645 -11.2645 -2.6475 -2.6475 -2.6471 -2.6471 -0.8500 -0.8500 -0.8497 -0.8497 3.2382 3.2382 3.2388 3.2388 5.3398 5.3398 5.3404 5.3404 9.5479 9.5479 9.5501 9.5501 10.6703 10.6703 10.6722 10.6722 16.0050 16.0050 16.0058 16.0058 19.1392 19.1392 19.1410 19.1410 k = 0.0315 0.0817 0.3764 ( 1180 PWs) bands (ev): -11.2802 -11.2802 -11.2802 -11.2802 -2.6540 -2.6540 -2.6537 -2.6537 -0.8544 -0.8544 -0.8541 -0.8541 3.2345 3.2345 3.2351 3.2351 5.4162 5.4162 5.4168 5.4168 9.5461 9.5461 9.5480 9.5480 10.7215 10.7215 10.7232 10.7232 15.9534 15.9534 15.9541 15.9541 19.0858 19.0858 19.0874 19.0874 k = 0.0275 0.0715 0.3764 ( 1180 PWs) bands (ev): -11.2941 -11.2941 -11.2940 -11.2940 -2.6598 -2.6598 -2.6595 -2.6595 -0.8584 -0.8584 -0.8582 -0.8582 3.2312 3.2312 3.2316 3.2316 5.4852 5.4852 5.4858 5.4858 9.5439 9.5439 9.5455 9.5455 10.7680 10.7680 10.7694 10.7694 15.9058 15.9058 15.9065 15.9065 19.0388 19.0388 19.0402 19.0402 k = 0.0236 0.0613 0.3764 ( 1176 PWs) bands (ev): -11.3061 -11.3061 -11.3061 -11.3061 -2.6649 -2.6649 -2.6647 -2.6647 -0.8620 -0.8620 -0.8618 -0.8618 3.2282 3.2282 3.2286 3.2286 5.5465 5.5465 5.5469 5.5469 9.5416 9.5416 9.5429 9.5429 10.8093 10.8093 10.8105 10.8105 15.8630 15.8630 15.8636 15.8636 18.9983 18.9983 18.9996 18.9996 k = 0.0197 0.0510 0.3764 ( 1174 PWs) bands (ev): -11.3163 -11.3163 -11.3163 -11.3163 -2.6693 -2.6693 -2.6691 -2.6691 -0.8651 -0.8651 -0.8650 -0.8650 3.2256 3.2256 3.2260 3.2260 5.5992 5.5992 5.5996 5.5996 9.5393 9.5393 9.5404 9.5404 10.8449 10.8449 10.8459 10.8459 15.8256 15.8256 15.8261 15.8261 18.9642 18.9642 18.9653 18.9653 k = 0.0157 0.0408 0.3764 ( 1174 PWs) bands (ev): -11.3246 -11.3246 -11.3246 -11.3246 -2.6728 -2.6728 -2.6727 -2.6727 -0.8677 -0.8677 -0.8676 -0.8676 3.2235 3.2235 3.2238 3.2238 5.6431 5.6431 5.6434 5.6434 9.5373 9.5373 9.5382 9.5382 10.8746 10.8746 10.8754 10.8754 15.7942 15.7942 15.7946 15.7946 18.9365 18.9365 18.9373 18.9373 k = 0.0118 0.0306 0.3764 ( 1178 PWs) bands (ev): -11.3311 -11.3311 -11.3311 -11.3311 -2.6757 -2.6757 -2.6756 -2.6756 -0.8697 -0.8697 -0.8696 -0.8696 3.2218 3.2218 3.2220 3.2220 5.6776 5.6776 5.6779 5.6779 9.5355 9.5355 9.5362 9.5362 10.8978 10.8978 10.8984 10.8984 15.7692 15.7692 15.7695 15.7695 18.9149 18.9149 18.9155 18.9155 k = 0.0079 0.0204 0.3764 ( 1174 PWs) bands (ev): -11.3358 -11.3358 -11.3358 -11.3358 -2.6777 -2.6777 -2.6776 -2.6776 -0.8712 -0.8712 -0.8711 -0.8711 3.2206 3.2206 3.2208 3.2208 5.7026 5.7026 5.7028 5.7028 9.5343 9.5343 9.5347 9.5347 10.9148 10.9148 10.9152 10.9152 15.7511 15.7511 15.7513 15.7513 18.8997 18.8997 18.9001 18.9001 k = 0.0039 0.0102 0.3764 ( 1174 PWs) bands (ev): -11.3386 -11.3386 -11.3386 -11.3386 -2.6789 -2.6789 -2.6788 -2.6788 -0.8721 -0.8721 -0.8720 -0.8720 3.2199 3.2199 3.2200 3.2200 5.7177 5.7177 5.7178 5.7178 9.5336 9.5336 9.5338 9.5338 10.9250 10.9250 10.9252 10.9252 15.7401 15.7401 15.7402 15.7402 18.8905 18.8905 18.8907 18.8907 k = 0.0000 0.0000 0.3764 ( 1174 PWs) bands (ev): -11.3395 -11.3395 -11.3395 -11.3395 -2.6793 -2.6793 -2.6793 -2.6793 -0.8723 -0.8723 -0.8723 -0.8723 3.2197 3.2197 3.2197 3.2197 5.7228 5.7228 5.7228 5.7228 9.5334 9.5334 9.5334 9.5334 10.9285 10.9285 10.9285 10.9285 15.7365 15.7365 15.7365 15.7365 18.8876 18.8876 18.8876 18.8876 k = 0.0000 0.0000 0.3764 ( 1174 PWs) bands (ev): -11.3395 -11.3395 -11.3395 -11.3395 -2.6793 -2.6793 -2.6793 -2.6793 -0.8723 -0.8723 -0.8723 -0.8723 3.2197 3.2197 3.2197 3.2197 5.7228 5.7228 5.7228 5.7228 9.5334 9.5334 9.5334 9.5334 10.9285 10.9285 10.9285 10.9285 15.7365 15.7365 15.7365 15.7365 18.8876 18.8876 18.8876 18.8876 k = 0.0000 0.0000 0.3657 ( 1174 PWs) bands (ev): -11.4003 -11.4003 -11.2774 -11.2774 -2.7794 -2.7794 -2.5814 -2.5814 -0.9081 -0.9081 -0.8343 -0.8343 3.1537 3.1537 3.2854 3.2854 5.7037 5.7037 5.7420 5.7420 9.4989 9.4989 9.5653 9.5653 10.8848 10.8848 10.9728 10.9728 15.7379 15.7379 15.7384 15.7384 18.8808 18.8808 18.8969 18.8969 k = 0.0000 0.0000 0.3549 ( 1174 PWs) bands (ev): -11.4597 -11.4597 -11.2140 -11.2140 -2.8815 -2.8815 -2.4863 -2.4863 -0.9412 -0.9412 -0.7943 -0.7943 3.0877 3.0877 3.3504 3.3504 5.6847 5.6847 5.7612 5.7612 9.4620 9.4620 9.5948 9.5948 10.8416 10.8416 11.0176 11.0176 15.7425 15.7425 15.7437 15.7437 18.8763 18.8763 18.9089 18.9089 k = 0.0000 0.0000 0.3442 ( 1174 PWs) bands (ev): -11.5177 -11.5177 -11.1494 -11.1494 -2.9851 -2.9851 -2.3945 -2.3945 -0.9710 -0.9710 -0.7527 -0.7527 3.0217 3.0217 3.4146 3.4146 5.6659 5.6659 5.7804 5.7804 9.4224 9.4224 9.6221 9.6221 10.7991 10.7991 11.0627 11.0627 15.7501 15.7501 15.7525 15.7525 18.8739 18.8739 18.9239 18.9239 k = 0.0000 0.0000 0.3334 ( 1182 PWs) bands (ev): -11.5742 -11.5742 -11.0836 -11.0836 -3.0900 -3.0900 -2.3069 -2.3069 -0.9968 -0.9968 -0.7099 -0.7099 2.9561 2.9561 3.4776 3.4776 5.6471 5.6471 5.7995 5.7995 9.3802 9.3802 9.6471 9.6471 10.7572 10.7572 11.1081 11.1081 15.7604 15.7604 15.7646 15.7646 18.8734 18.8734 18.9419 18.9419 k = 0.0000 0.0000 0.3227 ( 1182 PWs) bands (ev): -11.6292 -11.6292 -11.0167 -11.0167 -3.1959 -3.1959 -2.2241 -2.2241 -1.0178 -1.0178 -0.6659 -0.6659 2.8911 2.8911 3.5393 3.5393 5.6287 5.6287 5.8185 5.8185 9.3358 9.3358 9.6704 9.6704 10.7162 10.7162 11.1538 11.1538 15.7732 15.7732 15.7802 15.7802 18.8748 18.8748 18.9633 18.9633 k = 0.0000 0.0000 0.3119 ( 1178 PWs) bands (ev): -11.6826 -11.6826 -10.9487 -10.9487 -3.3025 -3.3025 -2.1474 -2.1474 -1.0330 -1.0330 -0.6211 -0.6211 2.8268 2.8268 3.5994 3.5994 5.6106 5.6106 5.8375 5.8375 9.2891 9.2891 9.6920 9.6920 10.6762 10.6762 11.1996 11.1996 15.7882 15.7882 15.7989 15.7989 18.8779 18.8779 18.9884 18.9884 k = 0.0000 0.0000 0.3011 ( 1178 PWs) bands (ev): -11.7345 -11.7345 -10.8799 -10.8799 -3.4097 -3.4097 -2.0778 -2.0778 -1.0414 -1.0414 -0.5756 -0.5756 2.7635 2.7635 3.6576 3.6576 5.5927 5.5927 5.8562 5.8562 9.2403 9.2403 9.7121 9.7121 10.6370 10.6370 11.2454 11.2454 15.8051 15.8051 15.8207 15.8207 18.8825 18.8825 19.0171 19.0171 k = 0.0000 0.0000 0.2904 ( 1184 PWs) bands (ev): -11.7848 -11.7848 -10.8102 -10.8102 -3.5172 -3.5172 -2.0165 -2.0165 -1.0417 -1.0417 -0.5296 -0.5296 2.7013 2.7013 3.7135 3.7135 5.5750 5.5750 5.8748 5.8748 9.1894 9.1894 9.7311 9.7311 10.5987 10.5987 11.2910 11.2910 15.8235 15.8235 15.8452 15.8452 18.8886 18.8886 19.0497 19.0497 k = 0.0000 0.0000 0.2796 ( 1184 PWs) bands (ev): -11.8335 -11.8335 -10.7397 -10.7397 -3.6248 -3.6248 -1.9648 -1.9648 -1.0328 -1.0328 -0.4834 -0.4834 2.6404 2.6404 3.7670 3.7670 5.5578 5.5578 5.8931 5.8931 9.1368 9.1368 9.7492 9.7492 10.5614 10.5614 11.3366 11.3366 15.8431 15.8431 15.8724 15.8724 18.8960 18.8960 19.0864 19.0864 k = 0.0000 0.0000 0.2689 ( 1186 PWs) bands (ev): -11.8805 -11.8805 -10.6685 -10.6685 -3.7324 -3.7324 -1.9233 -1.9233 -1.0140 -1.0140 -0.4369 -0.4369 2.5809 2.5809 3.8179 3.8179 5.5409 5.5409 5.9111 5.9111 9.0828 9.0828 9.7667 9.7667 10.5252 10.5252 11.3819 11.3819 15.8634 15.8634 15.9018 15.9018 18.9048 18.9048 19.1273 19.1273 k = 0.0000 0.0000 0.2581 ( 1194 PWs) bands (ev): -11.9258 -11.9258 -10.5968 -10.5968 -3.8397 -3.8397 -1.8923 -1.8923 -0.9854 -0.9854 -0.3906 -0.3906 2.5230 2.5230 3.8659 3.8659 5.5244 5.5244 5.9288 5.9288 9.0275 9.0275 9.7839 9.7839 10.4900 10.4900 11.4267 11.4267 15.8843 15.8843 15.9331 15.9331 18.9149 18.9149 19.1724 19.1724 k = 0.0000 0.0000 0.2474 ( 1194 PWs) bands (ev): -11.9695 -11.9695 -10.5247 -10.5247 -3.9465 -3.9465 -1.8711 -1.8711 -0.9474 -0.9474 -0.3444 -0.3444 2.4668 2.4668 3.9109 3.9109 5.5084 5.5084 5.9461 5.9461 8.9713 8.9713 9.8012 9.8012 10.4561 10.4561 11.4711 11.4711 15.9053 15.9053 15.9660 15.9660 18.9263 18.9263 19.2219 19.2219 k = 0.0000 0.0000 0.2366 ( 1194 PWs) bands (ev): -12.0114 -12.0114 -10.4523 -10.4523 -4.0526 -4.0526 -1.8588 -1.8588 -0.9014 -0.9014 -0.2985 -0.2985 2.4125 2.4125 3.9527 3.9527 5.4928 5.4928 5.9631 5.9631 8.9145 8.9145 9.8187 9.8187 10.4233 10.4233 11.5149 11.5149 15.9263 15.9263 16.0001 16.0001 18.9390 18.9390 19.2757 19.2757 k = 0.0000 0.0000 0.2259 ( 1192 PWs) bands (ev): -12.0515 -12.0515 -10.3797 -10.3797 -4.1578 -4.1578 -1.8537 -1.8537 -0.8488 -0.8488 -0.2532 -0.2532 2.3601 2.3601 3.9913 3.9913 5.4778 5.4778 5.9795 5.9795 8.8574 8.8574 9.8368 9.8368 10.3917 10.3917 11.5579 11.5579 15.9469 15.9469 16.0353 16.0353 18.9531 18.9531 19.3338 19.3338 k = 0.0000 0.0000 0.2151 ( 1192 PWs) bands (ev): -12.0899 -12.0899 -10.3072 -10.3072 -4.2618 -4.2618 -1.8544 -1.8544 -0.7913 -0.7913 -0.2085 -0.2085 2.3097 2.3097 4.0263 4.0263 5.4632 5.4632 5.9956 5.9956 8.8002 8.8002 9.8553 9.8553 10.3614 10.3614 11.6002 11.6002 15.9669 15.9669 16.0706 16.0706 18.9684 18.9684 19.3960 19.3960 k = 0.0000 0.0000 0.2044 ( 1196 PWs) bands (ev): -12.1265 -12.1265 -10.2349 -10.2349 -4.3645 -4.3645 -1.8596 -1.8596 -0.7304 -0.7304 -0.1647 -0.1647 2.2615 2.2615 4.0579 4.0579 5.4492 5.4492 6.0110 6.0110 8.7432 8.7432 9.8745 9.8745 10.3324 10.3324 11.6413 11.6413 15.9861 15.9861 16.1060 16.1060 18.9850 18.9850 19.4622 19.4622 k = 0.0000 0.0000 0.1936 ( 1202 PWs) bands (ev): -12.1614 -12.1614 -10.1630 -10.1630 -4.4655 -4.4655 -1.8679 -1.8679 -0.6675 -0.6675 -0.1218 -0.1218 2.2154 2.2154 4.0860 4.0860 5.4358 5.4358 6.0259 6.0259 8.6868 8.6868 9.8943 9.8943 10.3047 10.3047 11.6815 11.6815 16.0043 16.0043 16.1411 16.1411 19.0030 19.0030 19.5321 19.5321 k = 0.0000 0.0000 0.1828 ( 1204 PWs) bands (ev): -12.1944 -12.1944 -10.0918 -10.0918 -4.5646 -4.5646 -1.8785 -1.8785 -0.6037 -0.6037 -0.0802 -0.0802 2.1716 2.1716 4.1107 4.1107 5.4230 5.4230 6.0403 6.0403 8.6313 8.6313 9.9150 9.9150 10.2783 10.2783 11.7205 11.7205 16.0216 16.0216 16.1756 16.1756 19.0224 19.0224 19.6055 19.6055 k = 0.0000 0.0000 0.1721 ( 1208 PWs) bands (ev): -12.2256 -12.2256 -10.0215 -10.0215 -4.6615 -4.6615 -1.8905 -1.8905 -0.5399 -0.5399 -0.0398 -0.0398 2.1301 2.1301 4.1321 4.1321 5.4108 5.4108 6.0540 6.0540 8.5770 8.5770 9.9363 9.9363 10.2533 10.2533 11.7580 11.7580 16.0377 16.0377 16.2090 16.2090 19.0432 19.0432 19.6820 19.6820 k = 0.0000 0.0000 0.1613 ( 1212 PWs) bands (ev): -12.2550 -12.2550 -9.9524 -9.9524 -4.7558 -4.7558 -1.9034 -1.9034 -0.4768 -0.4768 -0.0009 -0.0009 2.0910 2.0910 4.1502 4.1502 5.3992 5.3992 6.0670 6.0670 8.5242 8.5242 9.9582 9.9582 10.2297 10.2297 11.7941 11.7941 16.0526 16.0526 16.2411 16.2411 19.0654 19.0654 19.7613 19.7613 k = 0.0000 0.0000 0.1506 ( 1212 PWs) bands (ev): -12.2825 -12.2825 -9.8847 -9.8847 -4.8472 -4.8472 -1.9167 -1.9167 -0.4152 -0.4152 0.0363 0.0363 2.0544 2.0544 4.1653 4.1653 5.3883 5.3883 6.0794 6.0794 8.4731 8.4731 9.9807 9.9807 10.2075 10.2075 11.8286 11.8286 16.0663 16.0663 16.2717 16.2717 19.0890 19.0890 19.8427 19.8427 k = 0.0000 0.0000 0.1398 ( 1220 PWs) bands (ev): -12.3081 -12.3081 -9.8189 -9.8189 -4.9353 -4.9353 -1.9300 -1.9300 -0.3556 -0.3556 0.0717 0.0717 2.0202 2.0202 4.1776 4.1776 5.3779 5.3779 6.0911 6.0911 8.4241 8.4241 10.0034 10.0034 10.1867 10.1867 11.8614 11.8614 16.0788 16.0788 16.3003 16.3003 19.1137 19.1137 19.9258 19.9258 k = 0.0000 0.0000 0.1291 ( 1220 PWs) bands (ev): -12.3319 -12.3319 -9.7553 -9.7553 -5.0198 -5.0198 -1.9431 -1.9431 -0.2985 -0.2985 0.1052 0.1052 1.9885 1.9885 4.1872 4.1872 5.3684 5.3684 6.1020 6.1020 8.3775 8.3775 10.0263 10.0263 10.1675 10.1675 11.8923 11.8923 16.0901 16.0901 16.3271 16.3271 19.1395 19.1395 20.0100 20.0100 k = 0.0000 0.0000 0.1183 ( 1220 PWs) bands (ev): -12.3539 -12.3539 -9.6942 -9.6942 -5.1001 -5.1001 -1.9557 -1.9557 -0.2443 -0.2443 0.1366 0.1366 1.9594 1.9594 4.1946 4.1946 5.3595 5.3595 6.1122 6.1122 8.3336 8.3336 10.0489 10.0489 10.1497 10.1497 11.9213 11.9213 16.1002 16.1002 16.3517 16.3517 19.1663 19.1663 20.0945 20.0945 k = 0.0000 0.0000 0.1076 ( 1223 PWs) bands (ev): -12.3739 -12.3739 -9.6361 -9.6361 -5.1759 -5.1759 -1.9676 -1.9676 -0.1934 -0.1934 0.1657 0.1657 1.9328 1.9328 4.1998 4.1998 5.3514 5.3514 6.1215 6.1215 8.2924 8.2924 10.0709 10.0709 10.1335 10.1335 11.9483 11.9483 16.1092 16.1092 16.3740 16.3740 19.1936 19.1936 20.1785 20.1785 k = 0.0000 0.0000 0.0968 ( 1223 PWs) bands (ev): -12.3921 -12.3921 -9.5815 -9.5815 -5.2467 -5.2467 -1.9788 -1.9788 -0.1462 -0.1462 0.1925 0.1925 1.9088 1.9088 4.2034 4.2034 5.3440 5.3440 6.1301 6.1301 8.2545 8.2545 10.0919 10.0919 10.1191 10.1191 11.9730 11.9730 16.1172 16.1172 16.3941 16.3941 19.2212 19.2212 20.2611 20.2611 k = 0.0000 0.0000 0.0860 ( 1223 PWs) bands (ev): -12.4083 -12.4083 -9.5308 -9.5308 -5.3119 -5.3119 -1.9890 -1.9890 -0.1031 -0.1031 0.2168 0.2168 1.8873 1.8873 4.2055 4.2055 5.3374 5.3374 6.1378 6.1378 8.2199 8.2199 10.1033 10.1033 10.1147 10.1147 11.9954 11.9954 16.1241 16.1241 16.4119 16.4119 19.2486 19.2486 20.3412 20.3412 k = 0.0000 0.0000 0.0753 ( 1223 PWs) bands (ev): -12.4227 -12.4227 -9.4845 -9.4845 -5.3710 -5.3710 -1.9981 -1.9981 -0.0642 -0.0642 0.2385 0.2385 1.8684 1.8684 4.2065 4.2065 5.3315 5.3315 6.1446 6.1446 8.1888 8.1888 10.0929 10.0929 10.1320 10.1320 12.0155 12.0155 16.1300 16.1300 16.4273 16.4273 19.2752 19.2752 20.4175 20.4175 k = 0.0000 0.0000 0.0645 ( 1225 PWs) bands (ev): -12.4351 -12.4351 -9.4431 -9.4431 -5.4236 -5.4236 -2.0062 -2.0062 -0.0299 -0.0299 0.2575 0.2575 1.8520 1.8520 4.2066 4.2066 5.3264 5.3264 6.1506 6.1506 8.1615 8.1615 10.0829 10.0829 10.1487 10.1487 12.0330 12.0330 16.1351 16.1351 16.4405 16.4405 19.3004 19.3004 20.4888 20.4888 k = 0.0000 0.0000 0.0538 ( 1221 PWs) bands (ev): -12.4457 -12.4457 -9.4071 -9.4071 -5.4691 -5.4691 -2.0131 -2.0131 -0.0004 -0.0004 0.2738 0.2738 1.8382 1.8382 4.2063 4.2063 5.3220 5.3220 6.1557 6.1557 8.1381 8.1381 10.0744 10.0744 10.1638 10.1638 12.0480 12.0480 16.1393 16.1393 16.4515 16.4515 19.3235 19.3235 20.5536 20.5536 k = 0.0000 0.0000 0.0430 ( 1221 PWs) bands (ev): -12.4543 -12.4543 -9.3769 -9.3769 -5.5071 -5.5071 -2.0189 -2.0189 0.0240 0.0240 0.2872 0.2872 1.8270 1.8270 4.2056 4.2056 5.3185 5.3185 6.1599 6.1599 8.1188 8.1188 10.0673 10.0673 10.1764 10.1764 12.0604 12.0604 16.1426 16.1426 16.4603 16.4603 19.3438 19.3438 20.6100 20.6100 k = 0.0000 0.0000 0.0323 ( 1217 PWs) bands (ev): -12.4610 -12.4610 -9.3529 -9.3529 -5.5371 -5.5371 -2.0234 -2.0234 0.0432 0.0432 0.2976 0.2976 1.8182 1.8182 4.2049 4.2049 5.3157 5.3157 6.1632 6.1632 8.1036 8.1036 10.0619 10.0619 10.1865 10.1865 12.0701 12.0701 16.1452 16.1452 16.4672 16.4672 19.3606 19.3606 20.6563 20.6563 k = 0.0000 0.0000 0.0215 ( 1219 PWs) bands (ev): -12.4658 -12.4658 -9.3355 -9.3355 -5.5588 -5.5588 -2.0266 -2.0266 0.0570 0.0570 0.3051 0.3051 1.8119 1.8119 4.2042 4.2042 5.3137 5.3137 6.1655 6.1655 8.0926 8.0926 10.0579 10.0579 10.1937 10.1937 12.0770 12.0770 16.1470 16.1470 16.4719 16.4719 19.3730 19.3730 20.6909 20.6909 k = 0.0000 0.0000 0.0108 ( 1219 PWs) bands (ev): -12.4687 -12.4687 -9.3250 -9.3250 -5.5720 -5.5720 -2.0285 -2.0285 0.0653 0.0653 0.3097 0.3097 1.8082 1.8082 4.2037 4.2037 5.3125 5.3125 6.1669 6.1669 8.0861 8.0861 10.0556 10.0556 10.1982 10.1982 12.0812 12.0812 16.1481 16.1481 16.4748 16.4748 19.3808 19.3808 20.7124 20.7124 k = 0.0000 0.0000 0.0000 ( 1219 PWs) bands (ev): -12.4697 -12.4697 -9.3215 -9.3215 -5.5764 -5.5764 -2.0292 -2.0292 0.0681 0.0681 0.3112 0.3112 1.8069 1.8069 4.2035 4.2035 5.3121 5.3121 6.1674 6.1674 8.0839 8.0839 10.0548 10.0548 10.1997 10.1997 12.0826 12.0826 16.1484 16.1484 16.4757 16.4757 19.3834 19.3834 20.7196 20.7196 k = 0.0000 0.0000 0.0000 ( 1219 PWs) bands (ev): -12.4697 -12.4697 -9.3215 -9.3215 -5.5764 -5.5764 -2.0292 -2.0292 0.0681 0.0681 0.3112 0.3112 1.8069 1.8069 4.2035 4.2035 5.3121 5.3121 6.1674 6.1674 8.0839 8.0839 10.0548 10.0548 10.1997 10.1997 12.0826 12.0826 16.1484 16.1484 16.4757 16.4757 19.3834 19.3834 20.7196 20.7196 k =-0.0102 0.0039 0.0000 ( 1219 PWs) bands (ev): -12.4687 -12.4687 -9.3206 -9.3206 -5.5791 -5.5791 -2.0324 -2.0324 0.0134 0.0146 0.3632 0.3644 1.8158 1.8160 4.1991 4.1991 5.3098 5.3098 6.1678 6.1678 8.0880 8.0882 10.0567 10.0567 10.2006 10.2006 12.0851 12.0851 16.1451 16.1453 16.4789 16.4791 19.3803 19.3806 20.7166 20.7180 k =-0.0204 0.0079 0.0000 ( 1219 PWs) bands (ev): -12.4656 -12.4656 -9.3180 -9.3180 -5.5873 -5.5873 -2.0420 -2.0419 -0.0935 -0.0920 0.4654 0.4669 1.8422 1.8425 4.1860 4.1860 5.3029 5.3029 6.1689 6.1689 8.1006 8.1010 10.0624 10.0625 10.2033 10.2034 12.0925 12.0925 16.1357 16.1360 16.4881 16.4884 19.3714 19.3720 20.7094 20.7122 k =-0.0306 0.0118 0.0000 ( 1219 PWs) bands (ev): -12.4605 -12.4605 -9.3137 -9.3137 -5.6010 -5.6009 -2.0576 -2.0575 -0.2140 -0.2124 0.5791 0.5806 1.8853 1.8858 4.1645 4.1645 5.2916 5.2916 6.1708 6.1708 8.1213 8.1220 10.0720 10.0721 10.2079 10.2079 12.1049 12.1049 16.1212 16.1216 16.5024 16.5029 19.3568 19.3577 20.6990 20.7029 k =-0.0408 0.0157 0.0000 ( 1219 PWs) bands (ev): -12.4533 -12.4533 -9.3077 -9.3077 -5.6201 -5.6200 -2.0786 -2.0785 -0.3396 -0.3379 0.6961 0.6976 1.9438 1.9445 4.1348 4.1348 5.2761 5.2761 6.1730 6.1730 8.1500 8.1508 10.0855 10.0855 10.2143 10.2144 12.1221 12.1221 16.1026 16.1032 16.5207 16.5213 19.3366 19.3377 20.6866 20.6913 k =-0.0510 0.0197 0.0000 ( 1219 PWs) bands (ev): -12.4442 -12.4442 -9.3000 -9.2999 -5.6446 -5.6445 -2.1045 -2.1043 -0.4673 -0.4657 0.8143 0.8159 2.0160 2.0169 4.0976 4.0977 5.2568 5.2568 6.1755 6.1755 8.1862 8.1872 10.1027 10.1028 10.2225 10.2226 12.1440 12.1440 16.0812 16.0818 16.5418 16.5425 19.3110 19.3124 20.6734 20.6787 k =-0.0612 0.0236 0.0000 ( 1219 PWs) bands (ev): -12.4329 -12.4329 -9.2905 -9.2905 -5.6746 -5.6744 -2.1345 -2.1343 -0.5960 -0.5943 0.9334 0.9349 2.1003 2.1013 4.0536 4.0537 5.2339 5.2339 6.1779 6.1779 8.2294 8.2306 10.1238 10.1239 10.2325 10.2327 12.1705 12.1705 16.0577 16.0583 16.5649 16.5656 19.2804 19.2819 20.6604 20.6662 k =-0.0714 0.0275 0.0000 ( 1217 PWs) bands (ev): -12.4197 -12.4197 -9.2794 -9.2794 -5.7099 -5.7097 -2.1680 -2.1678 -0.7245 -0.7229 1.0532 1.0548 2.1946 2.1958 4.0035 4.0037 5.2078 5.2079 6.1800 6.1800 8.2791 8.2804 10.1487 10.1487 10.2445 10.2447 12.2014 12.2014 16.0328 16.0335 16.5892 16.5900 19.2451 19.2468 20.6486 20.6546 k =-0.0816 0.0314 0.0000 ( 1217 PWs) bands (ev): -12.4044 -12.4044 -9.2667 -9.2666 -5.7505 -5.7503 -2.2044 -2.2042 -0.8522 -0.8505 1.1737 1.1753 2.2972 2.2985 3.9483 3.9485 5.1790 5.1790 6.1816 6.1816 8.3346 8.3361 10.1773 10.1774 10.2582 10.2585 12.2367 12.2367 16.0070 16.0077 16.6142 16.6151 19.2054 19.2072 20.6384 20.6446 k =-0.0918 0.0354 0.0000 ( 1217 PWs) bands (ev): -12.3871 -12.3871 -9.2523 -9.2522 -5.7964 -5.7962 -2.2434 -2.2432 -0.9780 -0.9763 1.2946 1.2963 2.4062 2.4077 3.8890 3.8892 5.1478 5.1479 6.1824 6.1824 8.3955 8.3972 10.2096 10.2097 10.2738 10.2741 12.2760 12.2760 15.9806 15.9813 16.6396 16.6405 19.1618 19.1637 20.6303 20.6365 k =-0.1020 0.0393 0.0000 ( 1213 PWs) bands (ev): -12.3678 -12.3678 -9.2363 -9.2362 -5.8473 -5.8471 -2.2849 -2.2847 -1.1010 -1.0993 1.4157 1.4175 2.5201 2.5216 3.8269 3.8273 5.1146 5.1146 6.1823 6.1823 8.4612 8.4630 10.2455 10.2457 10.2912 10.2916 12.3191 12.3191 15.9539 15.9546 16.6649 16.6659 19.1147 19.1167 20.6245 20.6306 k =-0.1122 0.0432 0.0000 ( 1217 PWs) bands (ev): -12.3465 -12.3465 -9.2187 -9.2186 -5.9032 -5.9030 -2.3288 -2.3287 -1.2202 -1.2185 1.5363 1.5382 2.6371 2.6387 3.7634 3.7639 5.0797 5.0797 6.1810 6.1810 8.5310 8.5330 10.2848 10.2851 10.3105 10.3110 12.3659 12.3659 15.9271 15.9278 16.6899 16.6910 19.0646 19.0666 20.6212 20.6271 k =-0.1224 0.0472 0.0000 ( 1215 PWs) bands (ev): -12.3232 -12.3232 -9.1995 -9.1995 -5.9639 -5.9636 -2.3758 -2.3756 -1.3342 -1.3325 1.6556 1.6576 2.7553 2.7569 3.7010 3.7017 5.0433 5.0433 6.1785 6.1785 8.6046 8.6068 10.3254 10.3264 10.3334 10.3347 12.4161 12.4161 15.9004 15.9011 16.7144 16.7155 19.0118 19.0139 20.6203 20.6261 k =-0.1327 0.0511 0.0000 ( 1213 PWs) bands (ev): -12.2979 -12.2979 -9.1789 -9.1788 -6.0291 -6.0287 -2.4266 -2.4264 -1.4415 -1.4398 1.7723 1.7745 2.8724 2.8741 3.6426 3.6434 5.0058 5.0059 6.1748 6.1748 8.6815 8.6838 10.3533 10.3535 10.3756 10.3760 12.4695 12.4695 15.8739 15.8746 16.7382 16.7394 18.9569 18.9590 20.6220 20.6275 k =-0.1429 0.0550 0.0000 ( 1209 PWs) bands (ev): -12.2706 -12.2706 -9.1568 -9.1567 -6.0985 -6.0982 -2.4823 -2.4821 -1.5404 -1.5387 1.8843 1.8868 2.9847 2.9862 3.5933 3.5942 4.9675 4.9675 6.1697 6.1697 8.7613 8.7637 10.3783 10.3783 10.4251 10.4253 12.5257 12.5257 15.8477 15.8484 16.7612 16.7624 18.9003 18.9023 20.6260 20.6312 k =-0.1531 0.0590 0.0000 ( 1207 PWs) bands (ev): -12.2414 -12.2414 -9.1333 -9.1332 -6.1720 -6.1716 -2.5440 -2.5439 -1.6293 -1.6276 1.9891 1.9918 3.0856 3.0868 3.5619 3.5628 4.9286 4.9286 6.1635 6.1635 8.8434 8.8459 10.4047 10.4048 10.4778 10.4780 12.5847 12.5847 15.8219 15.8226 16.7830 16.7843 18.8422 18.8442 20.6323 20.6372 k =-0.1633 0.0629 0.0000 ( 1199 PWs) bands (ev): -12.2102 -12.2102 -9.1085 -9.1084 -6.2491 -6.2487 -2.6130 -2.6129 -1.7066 -1.7049 2.0828 2.0859 3.1651 3.1655 3.5624 3.5628 4.8893 4.8893 6.1559 6.1559 8.9276 8.9302 10.4329 10.4330 10.5337 10.5338 12.6462 12.6462 15.7967 15.7974 16.8037 16.8051 18.7832 18.7851 20.6407 20.6453 k =-0.1735 0.0668 0.0000 ( 1199 PWs) bands (ev): -12.1771 -12.1771 -9.0824 -9.0823 -6.3295 -6.3292 -2.6899 -2.6898 -1.7713 -1.7696 2.1606 2.1640 3.2149 3.2156 3.6058 3.6062 4.8497 4.8497 6.1470 6.1470 9.0135 9.0163 10.4628 10.4628 10.5922 10.5923 12.7096 12.7096 15.7721 15.7728 16.8231 16.8246 18.7234 18.7253 20.6491 20.6523 k =-0.1837 0.0707 0.0000 ( 1199 PWs) bands (ev): -12.1421 -12.1421 -9.0552 -9.0551 -6.4129 -6.4125 -2.7749 -2.7747 -1.8232 -1.8216 2.2164 2.2202 3.2465 3.2481 3.6863 3.6874 4.8102 4.8102 6.1370 6.1370 9.1008 9.1037 10.4942 10.4943 10.6533 10.6533 12.7748 12.7749 15.7480 15.7487 16.8411 16.8426 18.6632 18.6651 20.6253 20.6254 k =-0.1939 0.0747 0.0000 ( 1199 PWs) bands (ev): -12.1052 -12.1052 -9.0269 -9.0268 -6.4989 -6.4985 -2.8673 -2.8671 -1.8627 -1.8611 2.2456 2.2496 3.2809 3.2832 3.7884 3.7900 4.7707 4.7707 6.1259 6.1259 9.1892 9.1923 10.5274 10.5274 10.7167 10.7167 12.8417 12.8417 15.7246 15.7253 16.8576 16.8592 18.6030 18.6048 20.5977 20.5978 k =-0.2041 0.0786 0.0000 ( 1199 PWs) bands (ev): -12.0665 -12.0664 -8.9978 -8.9977 -6.5869 -6.5865 -2.9662 -2.9659 -1.8906 -1.8891 2.2461 2.2501 3.3311 3.3337 3.9007 3.9025 4.7316 4.7316 6.1139 6.1139 9.2787 9.2818 10.5621 10.5621 10.7822 10.7823 12.9097 12.9097 15.7019 15.7026 16.8725 16.8742 18.5429 18.5447 20.5699 20.5700 k =-0.2143 0.0825 0.0000 ( 1197 PWs) bands (ev): -12.0258 -12.0258 -8.9679 -8.9677 -6.6767 -6.6763 -3.0702 -3.0699 -1.9081 -1.9066 2.2201 2.2240 3.4003 3.4029 4.0172 4.0193 4.6929 4.6929 6.1010 6.1010 9.3688 9.3721 10.5983 10.5984 10.8497 10.8498 12.9789 12.9789 15.6799 15.6806 16.8858 16.8876 18.4833 18.4851 20.5423 20.5423 k =-0.2245 0.0865 0.0000 ( 1197 PWs) bands (ev): -11.9834 -11.9834 -8.9374 -8.9373 -6.7677 -6.7673 -3.1782 -3.1779 -1.9164 -1.9150 2.1725 2.1762 3.4858 3.4884 4.1351 4.1373 4.6547 4.6548 6.0874 6.0874 9.4596 9.4629 10.6360 10.6361 10.9189 10.9189 13.0487 13.0487 15.6588 15.6596 16.8975 16.8994 18.4244 18.4261 20.5148 20.5148 k =-0.2347 0.0904 0.0000 ( 1201 PWs) bands (ev): -11.9392 -11.9392 -8.9067 -8.9065 -6.8594 -6.8590 -3.2890 -3.2886 -1.9167 -1.9153 2.1086 2.1121 3.5838 3.5862 4.2527 4.2549 4.6171 4.6171 6.0731 6.0731 9.5506 9.5540 10.6751 10.6752 10.9894 10.9895 13.1189 13.1189 15.6386 15.6393 16.9074 16.9094 18.3664 18.3681 20.4881 20.4881 k =-0.2449 0.0943 0.0000 ( 1201 PWs) bands (ev): -11.8932 -11.8932 -8.8759 -8.8757 -6.9513 -6.9508 -3.4015 -3.4011 -1.9098 -1.9085 2.0329 2.0361 3.6901 3.6924 4.3689 4.3712 4.5804 4.5804 6.0583 6.0583 9.6417 9.6453 10.7154 10.7156 11.0611 11.0612 13.1893 13.1893 15.6191 15.6198 16.9157 16.9177 18.3096 18.3111 20.4621 20.4621 k =-0.2551 0.0983 0.0000 ( 1205 PWs) bands (ev): -11.8455 -11.8455 -8.8455 -8.8453 -7.0429 -7.0423 -3.5151 -3.5147 -1.8967 -1.8954 1.9488 1.9518 3.8016 3.8038 4.4831 4.4854 4.5444 4.5446 6.0431 6.0431 9.7328 9.7365 10.7569 10.7572 11.1337 11.1338 13.2596 13.2596 15.6006 15.6013 16.9223 16.9244 18.2540 18.2555 20.4372 20.4372 k =-0.2653 0.1022 0.0000 ( 1205 PWs) bands (ev): -11.7961 -11.7961 -8.8160 -8.8158 -7.1332 -7.1327 -3.6289 -3.6285 -1.8779 -1.8766 1.8587 1.8615 3.9161 3.9181 4.5094 4.5095 4.5948 4.5974 6.0277 6.0277 9.8238 9.8275 10.7995 10.7999 11.2070 11.2070 13.3295 13.3295 15.5830 15.5837 16.9273 16.9294 18.2000 18.2015 20.4137 20.4137 k =-0.2755 0.1061 0.0000 ( 1203 PWs) bands (ev): -11.7451 -11.7451 -8.7879 -8.7876 -7.2217 -7.2211 -3.7425 -3.7421 -1.8540 -1.8527 1.7643 1.7670 4.0317 4.0337 4.4755 4.4755 4.7036 4.7062 6.0120 6.0121 9.9143 9.9182 10.8431 10.8435 11.2805 11.2805 13.3987 13.3987 15.5663 15.5670 16.9306 16.9329 18.1478 18.1492 20.3918 20.3918 k =-0.2857 0.1101 0.0000 ( 1215 PWs) bands (ev): -11.6926 -11.6926 -8.7620 -8.7617 -7.3074 -7.3068 -3.8554 -3.8550 -1.8255 -1.8243 1.6668 1.6694 4.1472 4.1490 4.4426 4.4426 4.8090 4.8115 5.9963 5.9963 10.0042 10.0081 10.8872 10.8877 11.3540 11.3540 13.4667 13.4667 15.5504 15.5511 16.9324 16.9346 18.0975 18.0988 20.3714 20.3714 k =-0.2959 0.1140 0.0000 ( 1223 PWs) bands (ev): -11.6385 -11.6385 -8.7391 -8.7388 -7.3892 -7.3885 -3.9673 -3.9668 -1.7928 -1.7915 1.5671 1.5695 4.2616 4.2633 4.4109 4.4109 4.9108 4.9134 5.9807 5.9807 10.0934 10.0974 10.9321 10.9326 11.4273 11.4274 13.5336 13.5336 15.5355 15.5361 16.9327 16.9350 18.0493 18.0505 20.3535 20.3535 k =-0.3061 0.1179 0.0000 ( 1223 PWs) bands (ev): -11.5831 -11.5830 -8.7206 -8.7202 -7.4658 -7.4651 -4.0775 -4.0771 -1.7560 -1.7548 1.4661 1.4683 4.3740 4.3756 4.3805 4.3806 5.0088 5.0114 5.9652 5.9652 10.1816 10.1856 10.9773 10.9780 11.5002 11.5002 13.5989 13.5989 15.5215 15.5222 16.9317 16.9340 18.0034 18.0046 20.3379 20.3379 k =-0.3163 0.1218 0.0000 ( 1223 PWs) bands (ev): -11.5263 -11.5262 -8.7076 -8.7072 -7.5357 -7.5350 -4.1859 -4.1855 -1.7157 -1.7145 1.3641 1.3663 4.3512 4.3512 4.4841 4.4858 5.1028 5.1054 5.9500 5.9500 10.2686 10.2727 11.0228 11.0236 11.5721 11.5722 13.6624 13.6624 15.5084 15.5091 16.9294 16.9317 17.9600 17.9611 20.2938 20.2973 k =-0.3265 0.1258 0.0000 ( 1223 PWs) bands (ev): -11.4682 -11.4682 -8.7017 -8.7012 -7.5974 -7.5967 -4.2922 -4.2918 -1.6719 -1.6707 1.2617 1.2637 4.3233 4.3233 4.5909 4.5925 5.1925 5.1950 5.9351 5.9351 10.3542 10.3582 11.0683 11.0691 11.6430 11.6430 13.7238 13.7238 15.4963 15.4969 16.9259 16.9283 17.9192 17.9202 20.1867 20.1900 k =-0.3367 0.1297 0.0000 ( 1219 PWs) bands (ev): -11.4091 -11.4091 -8.7044 -8.7039 -7.6492 -7.6485 -4.3960 -4.3956 -1.6249 -1.6237 1.1591 1.1611 4.2968 4.2968 4.6941 4.6957 5.2778 5.2803 5.9207 5.9207 10.4380 10.4421 11.1135 11.1144 11.7123 11.7123 13.7828 13.7828 15.4850 15.4856 16.9215 16.9238 17.8812 17.8821 20.0795 20.0826 k =-0.3469 0.1336 0.0000 ( 1219 PWs) bands (ev): -11.3490 -11.3489 -8.7169 -8.7164 -7.6899 -7.6891 -4.4971 -4.4967 -1.5750 -1.5738 1.0567 1.0586 4.2717 4.2717 4.7932 4.7947 5.3585 5.3609 5.9067 5.9067 10.5198 10.5238 11.1581 11.1591 11.7798 11.7799 13.8392 13.8392 15.4745 15.4751 16.9162 16.9184 17.8461 17.8468 19.9725 19.9755 k =-0.3571 0.1376 0.0000 ( 1219 PWs) bands (ev): -11.2881 -11.2881 -8.7399 -8.7394 -7.7187 -7.7180 -4.5950 -4.5946 -1.5223 -1.5212 0.9547 0.9566 4.2480 4.2480 4.8877 4.8892 5.4344 5.4368 5.8933 5.8934 10.5992 10.6032 11.2018 11.2029 11.8452 11.8453 13.8928 13.8928 15.4648 15.4654 16.9101 16.9123 17.8139 17.8145 19.8667 19.8695 k =-0.3673 0.1415 0.0000 ( 1223 PWs) bands (ev): -11.2266 -11.2266 -8.7731 -8.7727 -7.7358 -7.7351 -4.6895 -4.6891 -1.4671 -1.4660 0.8534 0.8552 4.2258 4.2258 4.9773 4.9787 5.5054 5.5077 5.8806 5.8806 10.6760 10.6799 11.2444 11.2455 11.9082 11.9082 13.9434 13.9434 15.4559 15.4565 16.9035 16.9056 17.7847 17.7853 19.7627 19.7652 k =-0.3776 0.1454 0.0000 ( 1223 PWs) bands (ev): -11.1648 -11.1648 -8.8156 -8.8152 -7.7422 -7.7416 -4.7802 -4.7798 -1.4095 -1.4084 0.7531 0.7548 4.2052 4.2052 5.0617 5.0631 5.5715 5.5737 5.8686 5.8686 10.7496 10.7534 11.2855 11.2867 11.9683 11.9683 13.9907 13.9907 15.4478 15.4483 16.8965 16.8985 17.7587 17.7592 19.6613 19.6637 k =-0.3878 0.1494 0.0000 ( 1219 PWs) bands (ev): -11.1031 -11.1030 -8.8656 -8.8652 -7.7395 -7.7389 -4.8667 -4.8663 -1.3498 -1.3487 0.6540 0.6556 4.1861 4.1861 5.1407 5.1420 5.6326 5.6347 5.8573 5.8573 10.8198 10.8236 11.3249 11.3262 12.0252 12.0252 14.0346 14.0346 15.4404 15.4409 16.8893 16.8913 17.7357 17.7361 19.5634 19.5656 k =-0.3980 0.1533 0.0000 ( 1217 PWs) bands (ev): -11.0416 -11.0416 -8.9213 -8.9209 -7.7296 -7.7290 -4.9485 -4.9481 -1.2882 -1.2871 0.5564 0.5580 4.1686 4.1686 5.2137 5.2150 5.6885 5.6904 5.8468 5.8469 10.8861 10.8897 11.3622 11.3635 12.0786 12.0787 14.0750 14.0750 15.4337 15.4342 16.8821 16.8839 17.7158 17.7161 19.4697 19.4717 k =-0.4082 0.1572 0.0000 ( 1213 PWs) bands (ev): -10.9811 -10.9811 -8.9804 -8.9801 -7.7144 -7.7139 -5.0251 -5.0248 -1.2251 -1.2239 0.4606 0.4621 4.1529 4.1529 5.2806 5.2818 5.7392 5.7410 5.8372 5.8374 10.9481 10.9515 11.3969 11.3982 12.1283 12.1283 14.1119 14.1119 15.4277 15.4282 16.8750 16.8767 17.6989 17.6991 19.3810 19.3829 k =-0.4184 0.1612 0.0000 ( 1209 PWs) bands (ev): -10.9220 -10.9220 -9.0412 -9.0409 -7.6958 -7.6953 -5.0960 -5.0957 -1.1607 -1.1596 0.3670 0.3685 4.1386 4.1386 5.3412 5.3423 5.7846 5.7861 5.8287 5.8290 11.0052 11.0084 11.4290 11.4303 12.1739 12.1739 14.1448 14.1448 15.4224 15.4228 16.8683 16.8698 17.6848 17.6849 19.2984 19.3000 k =-0.4286 0.1651 0.0000 ( 1204 PWs) bands (ev): -10.8652 -10.8652 -9.1015 -9.1013 -7.6754 -7.6750 -5.1607 -5.1605 -1.0957 -1.0946 0.2762 0.2776 4.1259 4.1259 5.3953 5.3962 5.8186 5.8197 5.8261 5.8288 11.0571 11.0601 11.4582 11.4594 12.2148 12.2148 14.1740 14.1740 15.4177 15.4181 16.8620 16.8633 17.6733 17.6734 19.2226 19.2240 k =-0.4388 0.1690 0.0000 ( 1204 PWs) bands (ev): -10.8115 -10.8115 -9.1597 -9.1595 -7.6546 -7.6542 -5.2186 -5.2184 -1.0307 -1.0296 0.1888 0.1901 4.1149 4.1149 5.4425 5.4434 5.8136 5.8138 5.8601 5.8617 11.1033 11.1059 11.4838 11.4850 12.2510 12.2510 14.1992 14.1992 15.4135 15.4139 16.8563 16.8575 17.6642 17.6643 19.1545 19.1558 k =-0.4490 0.1729 0.0000 ( 1204 PWs) bands (ev): -10.7622 -10.7622 -9.2139 -9.2137 -7.6347 -7.6344 -5.2690 -5.2688 -0.9668 -0.9658 0.1060 0.1072 4.1055 4.1055 5.4828 5.4835 5.8080 5.8081 5.8896 5.8909 11.1433 11.1456 11.5060 11.5070 12.2821 12.2821 14.2206 14.2206 15.4101 15.4104 16.8513 16.8523 17.6573 17.6574 19.0950 19.0961 k =-0.4592 0.1769 0.0000 ( 1204 PWs) bands (ev): -10.7186 -10.7185 -9.2621 -9.2619 -7.6167 -7.6165 -5.3113 -5.3111 -0.9056 -0.9047 0.0294 0.0305 4.0979 4.0979 5.5159 5.5165 5.8033 5.8033 5.9137 5.9148 11.1767 11.1786 11.5244 11.5253 12.3080 12.3080 14.2381 14.2381 15.4073 15.4075 16.8471 16.8479 17.6523 17.6523 19.0450 19.0459 k =-0.4694 0.1808 0.0000 ( 1208 PWs) bands (ev): -10.6821 -10.6821 -9.3024 -9.3023 -7.6018 -7.6016 -5.3449 -5.3447 -0.8498 -0.8489 -0.0385 -0.0375 4.0919 4.0919 5.5419 5.5423 5.7995 5.7996 5.9325 5.9333 11.2032 11.2047 11.5388 11.5395 12.3282 12.3282 14.2516 14.2516 15.4051 15.4052 16.8437 16.8444 17.6487 17.6487 19.0052 19.0059 k =-0.4796 0.1847 0.0000 ( 1208 PWs) bands (ev): -10.6546 -10.6546 -9.3329 -9.3329 -7.5905 -7.5903 -5.3693 -5.3692 -0.8031 -0.8025 -0.0936 -0.0929 4.0877 4.0877 5.5605 5.5608 5.7968 5.7969 5.9460 5.9466 11.2225 11.2235 11.5493 11.5498 12.3428 12.3428 14.2613 14.2613 15.4035 15.4036 16.8414 16.8418 17.6465 17.6465 18.9763 18.9767 k =-0.4898 0.1887 0.0000 ( 1208 PWs) bands (ev): -10.6373 -10.6373 -9.3520 -9.3520 -7.5834 -7.5834 -5.3841 -5.3841 -0.7711 -0.7707 -0.1305 -0.1301 4.0850 4.0850 5.5719 5.5721 5.7952 5.7952 5.9543 5.9545 11.2343 11.2348 11.5557 11.5560 12.3517 12.3517 14.2670 14.2670 15.4025 15.4026 16.8400 16.8402 17.6452 17.6452 18.9588 18.9590 k =-0.5000 0.1926 0.0000 ( 1208 PWs) bands (ev): -10.6314 -10.6314 -9.3585 -9.3585 -7.5810 -7.5810 -5.3891 -5.3891 -0.7594 -0.7594 -0.1436 -0.1436 4.0842 4.0842 5.5757 5.5757 5.7947 5.7947 5.9571 5.9571 11.2384 11.2384 11.5580 11.5580 12.3546 12.3546 14.2689 14.2689 15.4022 15.4022 16.8396 16.8396 17.6448 17.6448 18.9530 18.9530 k =-0.5000 0.1926 0.0000 ( 1208 PWs) bands (ev): -10.6314 -10.6314 -9.3585 -9.3585 -7.5810 -7.5810 -5.3891 -5.3891 -0.7594 -0.7594 -0.1436 -0.1436 4.0842 4.0842 5.5757 5.5757 5.7947 5.7947 5.9571 5.9571 11.2384 11.2384 11.5580 11.5580 12.3546 12.3546 14.2689 14.2689 15.4022 15.4022 16.8396 16.8396 17.6448 17.6448 18.9530 18.9530 k =-0.4961 0.2028-0.0000 ( 1204 PWs) bands (ev): -10.6305 -10.6305 -9.3579 -9.3579 -7.5802 -7.5802 -5.3883 -5.3883 -0.7588 -0.7588 -0.1427 -0.1427 4.0788 4.0788 5.5728 5.5736 5.7911 5.7920 5.9568 5.9568 11.2382 11.2383 11.5573 11.5575 12.3517 12.3517 14.2643 14.2644 15.4088 15.4089 16.8449 16.8449 17.6466 17.6467 18.9522 18.9524 k =-0.4921 0.2131-0.0000 ( 1200 PWs) bands (ev): -10.6277 -10.6277 -9.3559 -9.3559 -7.5775 -7.5775 -5.3862 -5.3862 -0.7572 -0.7571 -0.1401 -0.1401 4.0624 4.0624 5.5646 5.5660 5.7814 5.7831 5.9558 5.9560 11.2377 11.2379 11.5555 11.5559 12.3430 12.3431 14.2504 14.2506 15.4281 15.4283 16.8607 16.8608 17.6521 17.6522 18.9502 18.9505 k =-0.4882 0.2233-0.0000 ( 1208 PWs) bands (ev): -10.6230 -10.6230 -9.3527 -9.3526 -7.5732 -7.5731 -5.3826 -5.3826 -0.7544 -0.7544 -0.1359 -0.1358 4.0352 4.0352 5.5501 5.5523 5.7662 5.7688 5.9541 5.9543 11.2367 11.2370 11.5524 11.5529 12.3286 12.3287 14.2272 14.2275 15.4597 15.4600 16.8870 16.8871 17.6612 17.6614 18.9467 18.9473 k =-0.4842 0.2335-0.0000 ( 1208 PWs) bands (ev): -10.6164 -10.6164 -9.3481 -9.3481 -7.5670 -7.5670 -5.3776 -5.3776 -0.7506 -0.7506 -0.1300 -0.1298 3.9976 3.9976 5.5288 5.5316 5.7469 5.7504 5.9518 5.9520 11.2355 11.2359 11.5479 11.5486 12.3089 12.3090 14.1958 14.1962 15.5028 15.5032 16.9234 16.9235 17.6743 17.6745 18.9419 18.9426 k =-0.4803 0.2438-0.0000 ( 1208 PWs) bands (ev): -10.6080 -10.6080 -9.3423 -9.3423 -7.5591 -7.5591 -5.3712 -5.3712 -0.7457 -0.7456 -0.1223 -0.1221 3.9498 3.9499 5.4991 5.5025 5.7251 5.7293 5.9488 5.9491 11.2339 11.2344 11.5418 11.5426 12.2843 12.2844 14.1567 14.1572 15.5563 15.5568 16.9695 16.9696 17.6914 17.6917 18.9356 18.9365 k =-0.4763 0.2540-0.0000 ( 1208 PWs) bands (ev): -10.5977 -10.5977 -9.3352 -9.3352 -7.5495 -7.5494 -5.3634 -5.3634 -0.7398 -0.7397 -0.1129 -0.1127 3.8923 3.8924 5.4599 5.4637 5.7024 5.7071 5.9450 5.9454 11.2320 11.2325 11.5336 11.5346 12.2552 12.2553 14.1104 14.1111 15.6191 15.6198 17.0250 17.0251 17.7127 17.7130 18.9277 18.9288 k =-0.4724 0.2642-0.0000 ( 1209 PWs) bands (ev): -10.5856 -10.5856 -9.3269 -9.3268 -7.5381 -7.5380 -5.3542 -5.3542 -0.7328 -0.7327 -0.1019 -0.1016 3.8255 3.8255 5.4105 5.4144 5.6799 5.6849 5.9404 5.9408 11.2296 11.2302 11.5230 11.5242 12.2224 12.2225 14.0576 14.0583 15.6902 15.6909 17.0892 17.0894 17.7386 17.7389 18.9182 18.9194 k =-0.4685 0.2745-0.0000 ( 1205 PWs) bands (ev): -10.5716 -10.5716 -9.3173 -9.3173 -7.5250 -7.5249 -5.3435 -5.3435 -0.7248 -0.7246 -0.0892 -0.0889 3.7500 3.7501 5.3509 5.3548 5.6580 5.6630 5.9350 5.9355 11.2267 11.2275 11.5095 11.5108 12.1866 12.1869 13.9986 13.9995 15.7683 15.7691 17.1616 17.1618 17.7694 17.7697 18.9070 18.9083 k =-0.4645 0.2847-0.0000 ( 1209 PWs) bands (ev): -10.5557 -10.5557 -9.3066 -9.3065 -7.5101 -7.5100 -5.3315 -5.3315 -0.7158 -0.7156 -0.0748 -0.0745 3.6663 3.6664 5.2815 5.2851 5.6364 5.6414 5.9287 5.9292 11.2233 11.2242 11.4922 11.4936 12.1489 12.1492 13.9338 13.9348 15.8521 15.8530 17.2414 17.2416 17.8054 17.8058 18.8939 18.8954 k =-0.4606 0.2950-0.0000 ( 1209 PWs) bands (ev): -10.5380 -10.5380 -9.2946 -9.2946 -7.4934 -7.4933 -5.3181 -5.3181 -0.7058 -0.7057 -0.0588 -0.0584 3.5751 3.5752 5.2032 5.2065 5.6150 5.6199 5.9214 5.9220 11.2195 11.2205 11.4704 11.4719 12.1103 12.1106 13.8638 13.8648 15.9405 15.9415 17.3280 17.3283 17.8471 17.8475 18.8789 18.8805 k =-0.4566 0.3052-0.0000 ( 1215 PWs) bands (ev): -10.5186 -10.5185 -9.2816 -9.2815 -7.4751 -7.4750 -5.3034 -5.3034 -0.6950 -0.6948 -0.0412 -0.0408 3.4768 3.4769 5.1165 5.1196 5.5932 5.5979 5.9130 5.9136 11.2150 11.2162 11.4433 11.4449 12.0717 12.0721 13.7886 13.7899 16.0320 16.0331 17.4205 17.4208 17.8951 17.8954 18.8619 18.8636 k =-0.4527 0.3154-0.0000 ( 1211 PWs) bands (ev): -10.4972 -10.4972 -9.2674 -9.2673 -7.4550 -7.4548 -5.2873 -5.2873 -0.6833 -0.6831 -0.0219 -0.0215 3.3722 3.3723 5.0227 5.0255 5.5707 5.5754 5.9038 5.9044 11.2100 11.2113 11.4101 11.4118 12.0349 12.0354 13.7089 13.7103 16.1254 16.1266 17.5182 17.5185 17.9497 17.9500 18.8428 18.8447 k =-0.4487 0.3257-0.0000 ( 1207 PWs) bands (ev): -10.4741 -10.4741 -9.2521 -9.2521 -7.4331 -7.4330 -5.2698 -5.2698 -0.6707 -0.6705 -0.0011 -0.0006 3.2617 3.2618 4.9224 4.9249 5.5474 5.5519 5.8935 5.8942 11.2043 11.2057 11.3700 11.3717 12.0005 12.0012 13.6247 13.6262 16.2194 16.2206 17.6201 17.6204 18.0115 18.0117 18.8217 18.8236 k =-0.4448 0.3359-0.0000 ( 1205 PWs) bands (ev): -10.4492 -10.4492 -9.2359 -9.2358 -7.4095 -7.4094 -5.2511 -5.2510 -0.6575 -0.6572 0.0213 0.0218 3.1461 3.1461 4.8162 4.8185 5.5229 5.5273 5.8821 5.8829 11.1978 11.1995 11.3224 11.3242 11.9694 11.9702 13.5363 13.5380 16.3125 16.3138 17.7252 17.7256 18.0807 18.0808 18.7985 18.8005 k =-0.4409 0.3461-0.0000 ( 1203 PWs) bands (ev): -10.4226 -10.4226 -9.2186 -9.2185 -7.3842 -7.3840 -5.2310 -5.2310 -0.6435 -0.6432 0.0453 0.0458 3.0258 3.0258 4.7048 4.7069 5.4971 5.5014 5.8698 5.8705 11.1906 11.1925 11.2675 11.2694 11.9419 11.9428 13.4440 13.4459 16.4036 16.4049 17.8326 17.8330 18.1575 18.1575 18.7733 18.7754 k =-0.4369 0.3564-0.0000 ( 1205 PWs) bands (ev): -10.3942 -10.3941 -9.2005 -9.2004 -7.3572 -7.3570 -5.2096 -5.2096 -0.6289 -0.6286 0.0707 0.0713 2.9014 2.9014 4.5888 4.5907 5.4699 5.4742 5.8563 5.8571 11.1822 11.1846 11.2052 11.2074 11.9180 11.9190 13.3484 13.3504 16.4917 16.4931 17.9408 17.9413 18.2416 18.2419 18.7466 18.7486 k =-0.4330 0.3666-0.0000 ( 1201 PWs) bands (ev): -10.3640 -10.3640 -9.1814 -9.1813 -7.3284 -7.3282 -5.1870 -5.1870 -0.6138 -0.6134 0.0976 0.0983 2.7735 2.7735 4.4689 4.4706 5.4413 5.4455 5.8417 5.8426 11.1363 11.1377 11.1742 11.1760 11.8977 11.8989 13.2496 13.2518 16.5760 16.5773 18.0484 18.0491 18.3329 18.3333 18.7189 18.7209 k =-0.4290 0.3768-0.0000 ( 1205 PWs) bands (ev): -10.3322 -10.3321 -9.1616 -9.1615 -7.2979 -7.2978 -5.1631 -5.1631 -0.5982 -0.5978 0.1260 0.1267 2.6425 2.6425 4.3454 4.3470 5.4111 5.4153 5.8261 5.8270 11.0614 11.0631 11.1641 11.1663 11.8802 11.8816 13.1476 13.1500 16.6558 16.6571 18.1532 18.1541 18.4302 18.4309 18.6915 18.6934 k =-0.4251 0.3871-0.0000 ( 1205 PWs) bands (ev): -10.2986 -10.2986 -9.1411 -9.1410 -7.2658 -7.2656 -5.1381 -5.1380 -0.5823 -0.5819 0.1558 0.1565 2.5090 2.5090 4.2190 4.2204 5.3794 5.3835 5.8094 5.8103 10.9814 10.9831 11.1532 11.1556 11.8654 11.8668 13.0433 13.0460 16.7308 16.7321 18.2512 18.2525 18.5323 18.5333 18.6676 18.6691 k =-0.4211 0.3973-0.0000 ( 1203 PWs) bands (ev): -10.2634 -10.2634 -9.1199 -9.1198 -7.2319 -7.2317 -5.1118 -5.1117 -0.5661 -0.5657 0.1869 0.1876 2.3734 2.3734 4.0903 4.0915 5.3462 5.3502 5.7917 5.7926 10.8970 10.8988 11.1410 11.1438 11.8526 11.8541 12.9369 12.9398 16.8010 16.8022 18.3343 18.3363 18.6374 18.6387 18.6544 18.6552 k =-0.4172 0.4075-0.0000 ( 1203 PWs) bands (ev): -10.2266 -10.2265 -9.0981 -9.0980 -7.1962 -7.1960 -5.0843 -5.0843 -0.5498 -0.5493 0.2194 0.2201 2.2363 2.2363 3.9595 3.9606 5.3113 5.3153 5.7729 5.7739 10.8089 10.8108 11.1277 11.1307 11.8413 11.8430 12.8286 12.8318 16.8664 16.8676 18.3872 18.3902 18.6663 18.6665 18.7431 18.7447 k =-0.4133 0.4178-0.0000 ( 1205 PWs) bands (ev): -10.1881 -10.1881 -9.0758 -9.0757 -7.1589 -7.1587 -5.0557 -5.0557 -0.5335 -0.5330 0.2531 0.2539 2.0978 2.0979 3.8273 3.8282 5.2748 5.2789 5.7530 5.7540 10.7178 10.7197 11.1128 11.1162 11.8312 11.8329 12.7186 12.7221 16.9273 16.9285 18.3982 18.4019 18.7137 18.7146 18.8465 18.8485 k =-0.4093 0.4280-0.0000 ( 1209 PWs) bands (ev): -10.1481 -10.1480 -9.0531 -9.0530 -7.1199 -7.1197 -5.0260 -5.0260 -0.5174 -0.5169 0.2880 0.2889 1.9588 1.9588 3.6939 3.6948 5.2368 5.2408 5.7321 5.7332 10.6242 10.6261 11.0965 11.1002 11.8218 11.8236 12.6077 12.6115 16.9841 16.9852 18.3780 18.3820 18.7863 18.7875 18.9446 18.9468 k =-0.4054 0.4383-0.0000 ( 1207 PWs) bands (ev): -10.1065 -10.1064 -9.0302 -9.0300 -7.0792 -7.0789 -4.9952 -4.9952 -0.5017 -0.5011 0.3242 0.3251 1.8193 1.8194 3.5601 3.5608 5.1972 5.2012 5.7103 5.7113 10.5287 10.5307 11.0783 11.0824 11.8129 11.8148 12.4962 12.5003 17.0372 17.0382 18.3418 18.3457 18.8683 18.8695 19.0343 19.0367 k =-0.4014 0.4485-0.0000 ( 1211 PWs) bands (ev): -10.0634 -10.0633 -9.0070 -9.0069 -7.0368 -7.0365 -4.9634 -4.9633 -0.4865 -0.4859 0.3614 0.3624 1.6799 1.6801 3.4262 3.4268 5.1560 5.1600 5.6873 5.6885 10.4317 10.4337 11.0580 11.0625 11.8042 11.8061 12.3844 12.3890 17.0869 17.0879 18.2970 18.3010 18.9512 18.9525 19.1128 19.1153 k =-0.3975 0.4587-0.0000 ( 1211 PWs) bands (ev): -10.0188 -10.0188 -8.9837 -8.9836 -6.9926 -6.9924 -4.9305 -4.9305 -0.4721 -0.4715 0.3997 0.4008 1.5410 1.5411 3.2926 3.2931 5.1133 5.1173 5.6635 5.6647 10.3336 10.3357 11.0354 11.0404 11.7954 11.7974 12.2730 12.2781 17.1336 17.1346 18.2470 18.2510 19.0314 19.0328 19.1783 19.1806 k =-0.3935 0.4690-0.0000 ( 1211 PWs) bands (ev): -9.9728 -9.9727 -8.9605 -8.9604 -6.9468 -6.9466 -4.8967 -4.8966 -0.4588 -0.4580 0.4390 0.4401 1.4028 1.4030 3.1598 3.1602 5.0691 5.0731 5.6387 5.6399 10.2347 10.2369 11.0100 11.0156 11.7864 11.7884 12.1625 12.1681 17.1777 17.1786 18.1935 18.1974 19.1069 19.1085 19.2300 19.2321 k =-0.3896 0.4792-0.0000 ( 1211 PWs) bands (ev): -9.9254 -9.9253 -8.9374 -8.9373 -6.8993 -6.8990 -4.8619 -4.8618 -0.4467 -0.4459 0.4791 0.4803 1.2658 1.2660 3.0284 3.0286 5.0235 5.0275 5.6130 5.6142 10.1355 10.1377 10.9814 10.9875 11.7770 11.7790 12.0537 12.0598 17.2194 17.2203 18.1372 18.1412 19.1769 19.1786 19.2687 19.2704 k =-0.3857 0.4894-0.0000 ( 1211 PWs) bands (ev): -9.8766 -9.8766 -8.9146 -8.9145 -6.8501 -6.8498 -4.8262 -4.8261 -0.4362 -0.4354 0.5199 0.5213 1.1303 1.1307 2.8987 2.8988 4.9765 4.9806 5.5864 5.5877 10.0362 10.0385 10.9491 10.9558 11.7670 11.7690 11.9472 11.9539 17.2590 17.2598 18.0788 18.0828 19.2406 19.2425 19.2958 19.2971 k =-0.3817 0.4997-0.0000 ( 1219 PWs) bands (ev): -9.8266 -9.8265 -8.8922 -8.8921 -6.7992 -6.7989 -4.7896 -4.7895 -0.4278 -0.4269 0.5611 0.5626 0.9969 0.9973 2.7712 2.7713 4.9283 4.9324 5.5590 5.5603 9.9369 9.9393 10.9122 10.9195 11.7562 11.7582 11.8440 11.8513 17.2966 17.2974 18.0188 18.0227 19.2978 19.3000 19.3136 19.3144 k =-0.3778 0.5099-0.0000 ( 1219 PWs) bands (ev): -9.7753 -9.7753 -8.8704 -8.8703 -6.7466 -6.7463 -4.7522 -4.7521 -0.4217 -0.4207 0.6018 0.6037 0.8666 0.8673 2.6466 2.6467 4.8788 4.8829 5.5308 5.5321 9.8382 9.8406 10.8700 10.8779 11.7442 11.7454 11.7459 11.7537 17.3324 17.3332 17.9574 17.9614 19.3232 19.3238 19.3493 19.3514 k =-0.3738 0.5201-0.0000 ( 1219 PWs) bands (ev): -9.7228 -9.7228 -8.8494 -8.8492 -6.6924 -6.6921 -4.7139 -4.7138 -0.4184 -0.4173 0.6360 0.6390 0.7450 0.7468 2.5253 2.5256 4.8283 4.8323 5.5019 5.5033 9.7401 9.7426 10.8218 10.8303 11.6515 11.6598 11.7319 11.7340 17.3665 17.3672 17.8951 17.8991 19.3279 19.3280 19.3940 19.3963 k =-0.3699 0.5304-0.0000 ( 1219 PWs) bands (ev): -9.6692 -9.6692 -8.8292 -8.8290 -6.6364 -6.6361 -4.6749 -4.6748 -0.4183 -0.4171 0.5911 0.5930 0.7079 0.7086 2.4080 2.4085 4.7766 4.7807 5.4723 5.4737 9.6428 9.6454 10.7667 10.7757 11.5642 11.5730 11.7180 11.7201 17.3989 17.3997 17.8322 17.8361 19.3282 19.3285 19.4329 19.4353 k =-0.3659 0.5406-0.0000 ( 1215 PWs) bands (ev): -9.6146 -9.6145 -8.8100 -8.8099 -6.5787 -6.5784 -4.6352 -4.6351 -0.4220 -0.4208 0.4750 0.4758 0.7449 0.7454 2.2954 2.2960 4.7241 4.7282 5.4421 5.4435 9.5467 9.5493 10.7044 10.7136 11.4840 11.4932 11.7029 11.7049 17.4297 17.4305 17.7689 17.7728 19.3257 19.3263 19.4663 19.4690 k =-0.3620 0.5508-0.0000 ( 1211 PWs) bands (ev): -9.5589 -9.5589 -8.7920 -8.7919 -6.5194 -6.5191 -4.5947 -4.5946 -0.4300 -0.4286 0.3558 0.3563 0.7879 0.7887 2.1879 2.1887 4.6707 4.6748 5.4113 5.4128 9.4516 9.4544 10.6344 10.6438 11.4112 11.4204 11.6864 11.6884 17.4589 17.4597 17.7056 17.7095 19.3217 19.3225 19.4947 19.4975 k =-0.3581 0.5611-0.0000 ( 1211 PWs) bands (ev): -9.5024 -9.5024 -8.7755 -8.7753 -6.4584 -6.4581 -4.5536 -4.5535 -0.4428 -0.4414 0.2389 0.2392 0.8323 0.8333 2.0863 2.0873 4.6166 4.6207 5.3801 5.3816 9.3580 9.3608 10.5571 10.5664 11.3456 11.3548 11.6683 11.6703 17.4865 17.4872 17.6424 17.6463 19.3167 19.3179 19.5186 19.5215 k =-0.3541 0.5713-0.0000 ( 1215 PWs) bands (ev): -9.4450 -9.4450 -8.7605 -8.7603 -6.3957 -6.3953 -4.5119 -4.5118 -0.4610 -0.4595 0.1251 0.1254 0.8772 0.8783 1.9911 1.9923 4.5619 4.5660 5.3484 5.3499 9.2658 9.2687 10.4730 10.4822 11.2869 11.2959 11.6485 11.6504 17.5122 17.5130 17.5798 17.5837 19.3117 19.3130 19.5385 19.5415 k =-0.3502 0.5816-0.0000 ( 1217 PWs) bands (ev): -9.3869 -9.3869 -8.7472 -8.7470 -6.3313 -6.3310 -4.4697 -4.4695 -0.4851 -0.4834 0.0152 0.0153 0.9223 0.9236 1.9030 1.9043 4.5067 4.5108 5.3163 5.3179 9.1753 9.1783 10.3833 10.3922 11.2342 11.2428 11.6271 11.6291 17.5178 17.5217 17.5362 17.5371 19.3071 19.3087 19.5548 19.5579 k =-0.3462 0.5918-0.0000 ( 1221 PWs) bands (ev): -9.3281 -9.3281 -8.7358 -8.7357 -6.2652 -6.2649 -4.4269 -4.4267 -0.5154 -0.5136 -0.0908 -0.0906 0.9675 0.9689 1.8223 1.8238 4.4512 4.4552 5.2841 5.2858 9.0866 9.0896 10.2890 10.2974 11.1864 11.1946 11.6039 11.6057 17.4570 17.4608 17.5584 17.5592 19.3035 19.3052 19.5682 19.5713 k =-0.3423 0.6020-0.0000 ( 1221 PWs) bands (ev): -9.2688 -9.2688 -8.7265 -8.7263 -6.1975 -6.1972 -4.3835 -4.3834 -0.5523 -0.5504 -0.1924 -0.1923 1.0126 1.0141 1.7495 1.7512 4.3954 4.3995 5.2518 5.2535 8.9998 9.0029 10.1911 10.1991 11.1428 11.1505 11.5787 11.5806 17.3973 17.4011 17.5786 17.5794 19.3012 19.3031 19.5789 19.5821 k =-0.3383 0.6123-0.0000 ( 1217 PWs) bands (ev): -9.2090 -9.2090 -8.7194 -8.7193 -6.1281 -6.1278 -4.3397 -4.3396 -0.5959 -0.5939 -0.2895 -0.2894 1.0575 1.0590 1.6848 1.6866 4.3396 4.3437 5.2195 5.2212 8.9150 8.9183 10.0906 10.0981 11.1025 11.1097 11.5517 11.5535 17.3391 17.3428 17.5968 17.5976 19.3006 19.3027 19.5875 19.5907 k =-0.3344 0.6225-0.0000 ( 1227 PWs) bands (ev): -9.1490 -9.1489 -8.7148 -8.7147 -6.0571 -6.0568 -4.2955 -4.2954 -0.6462 -0.6442 -0.3819 -0.3818 1.1019 1.1035 1.6280 1.6300 4.2838 4.2878 5.1873 5.1890 8.8323 8.8356 9.9881 9.9953 11.0646 11.0713 11.5225 11.5242 17.2824 17.2861 17.6128 17.6137 19.3019 19.3041 19.5942 19.5974 k =-0.3305 0.6327-0.0000 ( 1227 PWs) bands (ev): -9.0886 -9.0886 -8.7128 -8.7126 -5.9844 -5.9841 -4.2509 -4.2507 -0.7032 -0.7010 -0.4692 -0.4692 1.1457 1.1473 1.5793 1.5814 4.2282 4.2322 5.1552 5.1570 8.7520 8.7554 9.8848 9.8915 11.0287 11.0350 11.4913 11.4931 17.2276 17.2312 17.6267 17.6275 19.3053 19.3077 19.5994 19.6026 k =-0.3265 0.6430-0.0000 ( 1227 PWs) bands (ev): -9.0283 -9.0283 -8.7134 -8.7133 -5.9101 -5.9098 -4.2058 -4.2056 -0.7663 -0.7641 -0.5515 -0.5515 1.1888 1.1905 1.5383 1.5405 4.1729 4.1768 5.1235 5.1254 8.6741 8.6776 9.7810 9.7873 10.9943 11.0002 11.4581 11.4598 17.1748 17.1784 17.6384 17.6392 19.3112 19.3136 19.6034 19.6066 k =-0.3226 0.6532-0.0000 ( 1231 PWs) bands (ev): -8.9679 -8.9679 -8.7170 -8.7168 -5.8342 -5.8339 -4.1604 -4.1602 -0.8352 -0.8329 -0.6285 -0.6285 1.2310 1.2328 1.5045 1.5068 4.1178 4.1218 5.0923 5.0942 8.5986 8.6022 9.6770 9.6830 10.9610 10.9666 11.4228 11.4244 17.1241 17.1276 17.6477 17.6485 19.3195 19.3220 19.6065 19.6096 k =-0.3186 0.6634-0.0000 ( 1235 PWs) bands (ev): -8.9078 -8.9078 -8.7235 -8.7234 -5.7567 -5.7564 -4.1145 -4.1144 -0.9093 -0.9070 -0.7001 -0.7000 1.2721 1.2740 1.4774 1.4799 4.0635 4.0674 5.0616 5.0636 8.5258 8.5294 9.5737 9.5793 10.9287 10.9339 11.3853 11.3869 17.0756 17.0790 17.6546 17.6554 19.3304 19.3330 19.6088 19.6119 k =-0.3147 0.6737-0.0000 ( 1231 PWs) bands (ev): -8.8480 -8.8480 -8.7332 -8.7330 -5.6777 -5.6774 -4.0684 -4.0682 -0.9880 -0.9856 -0.7661 -0.7660 1.3121 1.3141 1.4565 1.4590 4.0099 4.0138 5.0318 5.0338 8.4556 8.4594 9.4711 9.4765 10.8972 10.9021 11.3460 11.3475 17.0294 17.0327 17.6595 17.6603 19.3441 19.3468 19.6108 19.6139 k =-0.3107 0.6839-0.0000 ( 1231 PWs) bands (ev): -8.7887 -8.7887 -8.7460 -8.7459 -5.5971 -5.5968 -4.0218 -4.0216 -1.0705 -1.0681 -0.8265 -0.8264 1.3508 1.3528 1.4410 1.4436 3.9570 3.9609 5.0028 5.0049 8.3883 8.3921 9.3696 9.3747 10.8662 10.8708 11.3045 11.3060 16.9856 16.9888 17.6620 17.6628 19.3605 19.3631 19.6126 19.6156 k =-0.3068 0.6942-0.0000 ( 1231 PWs) bands (ev): -8.7622 -8.7620 -8.7301 -8.7301 -5.5150 -5.5147 -3.9749 -3.9747 -1.1563 -1.1539 -0.8812 -0.8810 1.3880 1.3901 1.4303 1.4331 3.9050 3.9089 4.9749 4.9769 8.3238 8.3278 9.2694 9.2743 10.8357 10.8400 11.2611 11.2625 16.9442 16.9474 17.6624 17.6631 19.3795 19.3822 19.6144 19.6173 k =-0.3029 0.7044-0.0000 ( 1235 PWs) bands (ev): -8.7817 -8.7815 -8.6723 -8.6723 -5.4315 -5.4311 -3.9276 -3.9274 -1.2446 -1.2422 -0.9301 -0.9300 1.4235 1.4238 1.4257 1.4267 3.8539 3.8577 4.9481 4.9502 8.2624 8.2664 9.1707 9.1753 10.8056 10.8097 11.2156 11.2170 16.9054 16.9084 17.6607 17.6614 19.4011 19.4039 19.6165 19.6193 k =-0.2989 0.7146-0.0000 ( 1231 PWs) bands (ev): -8.8045 -8.8044 -8.6156 -8.6155 -5.3465 -5.3462 -3.8800 -3.8797 -1.3348 -1.3324 -0.9733 -0.9731 1.4211 1.4240 1.4573 1.4595 3.8040 3.8078 4.9226 4.9247 8.2040 8.2081 9.0737 9.0781 10.7760 10.7798 11.1685 11.1698 16.8690 16.8718 17.6570 17.6577 19.4253 19.4281 19.6191 19.6218 k =-0.2950 0.7249-0.0000 ( 1227 PWs) bands (ev): -8.8307 -8.8306 -8.5601 -8.5600 -5.2601 -5.2598 -3.8319 -3.8316 -1.4263 -1.4239 -1.0106 -1.0104 1.4214 1.4244 1.4892 1.4914 3.7551 3.7588 4.8985 4.9007 8.1489 8.1531 8.9787 8.9829 10.7468 10.7504 11.1196 11.1209 16.8350 16.8378 17.6516 17.6522 19.4520 19.4547 19.6222 19.6248 k =-0.2910 0.7351-0.0000 ( 1227 PWs) bands (ev): -8.8604 -8.8602 -8.5059 -8.5059 -5.1725 -5.1721 -3.7834 -3.7832 -1.5186 -1.5162 -1.0423 -1.0421 1.4244 1.4274 1.5190 1.5213 3.7073 3.7110 4.8759 4.8782 8.0969 8.1012 8.8857 8.8897 10.7179 10.7213 11.0691 11.0704 16.8036 16.8062 17.6444 17.6450 19.4809 19.4837 19.6262 19.6287 k =-0.2871 0.7453-0.0000 ( 1231 PWs) bands (ev): -8.8933 -8.8932 -8.4534 -8.4533 -5.0835 -5.0832 -3.7345 -3.7343 -1.6112 -1.6088 -1.0683 -1.0680 1.4296 1.4327 1.5466 1.5490 3.6607 3.6644 4.8550 4.8573 8.0483 8.0526 8.7949 8.7987 10.6894 10.6927 11.0171 11.0183 16.7745 16.7771 17.6358 17.6363 19.5120 19.5147 19.6312 19.6335 k =-0.2871 0.7453-0.0000 ( 1231 PWs) bands (ev): -8.8933 -8.8932 -8.4534 -8.4533 -5.0835 -5.0832 -3.7345 -3.7343 -1.6112 -1.6088 -1.0683 -1.0680 1.4296 1.4327 1.5466 1.5490 3.6607 3.6644 4.8550 4.8573 8.0483 8.0526 8.7949 8.7987 10.6894 10.6927 11.0171 11.0183 16.7745 16.7771 17.6358 17.6363 19.5120 19.5147 19.6312 19.6335 k =-0.2871 0.7453 0.0108 ( 1231 PWs) bands (ev): -8.8929 -8.8927 -8.4533 -8.4532 -5.0837 -5.0834 -3.7382 -3.7380 -1.6078 -1.6055 -1.0693 -1.0690 1.4301 1.4332 1.5493 1.5517 3.6610 3.6646 4.8542 4.8565 8.0485 8.0529 8.7939 8.7977 10.6878 10.6910 11.0165 11.0177 16.7744 16.7769 17.6367 17.6372 19.5131 19.5159 19.6312 19.6335 k =-0.2871 0.7453 0.0215 ( 1225 PWs) bands (ev): -8.8915 -8.8913 -8.4530 -8.4529 -5.0844 -5.0841 -3.7492 -3.7489 -1.5978 -1.5954 -1.0722 -1.0720 1.4314 1.4345 1.5573 1.5597 3.6617 3.6654 4.8518 4.8541 8.0493 8.0537 8.7909 8.7947 10.6830 10.6862 11.0145 11.0157 16.7738 16.7764 17.6394 17.6399 19.5166 19.5194 19.6314 19.6337 k =-0.2871 0.7453 0.0323 ( 1223 PWs) bands (ev): -8.8891 -8.8890 -8.4525 -8.4524 -5.0854 -5.0851 -3.7671 -3.7668 -1.5815 -1.5791 -1.0771 -1.0769 1.4338 1.4369 1.5704 1.5728 3.6629 3.6666 4.8477 4.8500 8.0506 8.0550 8.7860 8.7898 10.6751 10.6782 11.0111 11.0123 16.7729 16.7755 17.6436 17.6441 19.5223 19.5251 19.6318 19.6342 k =-0.2871 0.7453 0.0430 ( 1227 PWs) bands (ev): -8.8859 -8.8858 -8.4518 -8.4517 -5.0869 -5.0866 -3.7915 -3.7912 -1.5594 -1.5571 -1.0838 -1.0836 1.4373 1.4404 1.5887 1.5910 3.6645 3.6681 4.8420 4.8442 8.0522 8.0566 8.7791 8.7828 10.6641 10.6672 11.0063 11.0075 16.7716 16.7741 17.6494 17.6498 19.5303 19.5331 19.6327 19.6351 k =-0.2871 0.7453 0.0538 ( 1231 PWs) bands (ev): -8.8818 -8.8816 -8.4509 -8.4508 -5.0888 -5.0885 -3.8218 -3.8215 -1.5324 -1.5300 -1.0921 -1.0919 1.4422 1.4452 1.6117 1.6141 3.6663 3.6700 4.8343 4.8366 8.0544 8.0588 8.7703 8.7740 10.6504 10.6533 11.0002 11.0014 16.7698 16.7724 17.6563 17.6567 19.5406 19.5434 19.6342 19.6367 k =-0.2871 0.7453 0.0645 ( 1226 PWs) bands (ev): -8.8767 -8.8766 -8.4499 -8.4498 -5.0911 -5.0907 -3.8573 -3.8570 -1.5011 -1.4988 -1.1018 -1.1016 1.4487 1.4517 1.6395 1.6419 3.6685 3.6721 4.8249 4.8272 8.0571 8.0614 8.7598 8.7634 10.6341 10.6370 10.9928 10.9940 16.7676 16.7702 17.6642 17.6647 19.5533 19.5562 19.6370 19.6396 k =-0.2871 0.7453 0.0753 ( 1224 PWs) bands (ev): -8.8708 -8.8707 -8.4487 -8.4486 -5.0937 -5.0934 -3.8973 -3.8970 -1.4666 -1.4643 -1.1126 -1.1124 1.4571 1.4601 1.6716 1.6740 3.6707 3.6743 4.8136 4.8157 8.0602 8.0645 8.7476 8.7512 10.6155 10.6182 10.9840 10.9852 16.7648 16.7675 17.6726 17.6731 19.5684 19.5713 19.6413 19.6439 k =-0.2871 0.7453 0.0860 ( 1224 PWs) bands (ev): -8.8641 -8.8639 -8.4474 -8.4474 -5.0967 -5.0964 -3.9412 -3.9408 -1.4298 -1.4275 -1.1244 -1.1242 1.4678 1.4708 1.7077 1.7101 3.6729 3.6765 4.8001 4.8023 8.0638 8.0681 8.7338 8.7374 10.5947 10.5973 10.9738 10.9751 16.7616 16.7643 17.6812 17.6816 19.5859 19.5889 19.6474 19.6502 k =-0.2871 0.7453 0.0968 ( 1224 PWs) bands (ev): -8.8565 -8.8563 -8.4461 -8.4460 -5.1000 -5.0996 -3.9881 -3.9878 -1.3915 -1.3892 -1.1369 -1.1367 1.4811 1.4841 1.7476 1.7500 3.6749 3.6785 4.7845 4.7866 8.0678 8.0721 8.7187 8.7221 10.5721 10.5746 10.9623 10.9636 16.7579 16.7606 17.6895 17.6899 19.6059 19.6089 19.6558 19.6586 k =-0.2871 0.7453 0.1076 ( 1224 PWs) bands (ev): -8.8481 -8.8479 -8.4447 -8.4446 -5.1035 -5.1032 -4.0375 -4.0372 -1.3526 -1.3504 -1.1498 -1.1496 1.4975 1.5004 1.7909 1.7933 3.6765 3.6802 4.7664 4.7685 8.0722 8.0765 8.7022 8.7056 10.5481 10.5504 10.9495 10.9508 16.7538 16.7566 17.6969 17.6974 19.6283 19.6313 19.6669 19.6697 k =-0.2871 0.7453 0.1183 ( 1226 PWs) bands (ev): -8.8389 -8.8388 -8.4433 -8.4432 -5.1074 -5.1070 -4.0888 -4.0885 -1.3140 -1.3118 -1.1629 -1.1627 1.5172 1.5201 1.8372 1.8397 3.6777 3.6813 4.7459 4.7479 8.0771 8.0813 8.6847 8.6880 10.5230 10.5251 10.9352 10.9366 16.7493 16.7521 17.7033 17.7038 19.6531 19.6561 19.6809 19.6838 k =-0.2871 0.7453 0.1291 ( 1226 PWs) bands (ev): -8.8290 -8.8289 -8.4419 -8.4418 -5.1114 -5.1111 -4.1415 -4.1411 -1.2764 -1.2743 -1.1759 -1.1757 1.5408 1.5436 1.8863 1.8888 3.6782 3.6818 4.7227 4.7246 8.0824 8.0866 8.6663 8.6695 10.4971 10.4990 10.9196 10.9210 16.7447 16.7475 17.7080 17.7086 19.6803 19.6832 19.6983 19.7011 k =-0.2871 0.7453 0.1398 ( 1226 PWs) bands (ev): -8.8184 -8.8183 -8.4405 -8.4405 -5.1156 -5.1152 -4.1950 -4.1946 -1.2405 -1.2384 -1.1886 -1.1884 1.5684 1.5712 1.9378 1.9403 3.6779 3.6815 4.6966 4.6986 8.0880 8.0922 8.6471 8.6503 10.4709 10.4725 10.9027 10.9041 16.7400 16.7429 17.7108 17.7113 19.7098 19.7119 19.7198 19.7218 k =-0.2871 0.7453 0.1506 ( 1225 PWs) bands (ev): -8.8072 -8.8070 -8.4393 -8.4393 -5.1198 -5.1195 -4.2490 -4.2486 -1.2069 -1.2051 -1.2006 -1.2005 1.6006 1.6033 1.9914 1.9939 3.6767 3.6803 4.6676 4.6694 8.0941 8.0983 8.6274 8.6305 10.4445 10.4460 10.8844 10.8858 16.7355 16.7384 17.7110 17.7116 19.7401 19.7412 19.7464 19.7476 k =-0.2871 0.7453 0.1613 ( 1225 PWs) bands (ev): -8.7953 -8.7952 -8.4383 -8.4382 -5.1241 -5.1238 -4.3029 -4.3025 -1.2122 -1.2121 -1.1761 -1.1741 1.6374 1.6400 2.0468 2.0493 3.6743 3.6780 4.6354 4.6372 8.1006 8.1047 8.6074 8.6104 10.4185 10.4197 10.8647 10.8661 16.7314 16.7343 17.7086 17.7092 19.7686 19.7724 19.7769 19.7807 k =-0.2871 0.7453 0.1721 ( 1221 PWs) bands (ev): -8.7829 -8.7827 -8.4375 -8.4374 -5.1283 -5.1280 -4.3566 -4.3562 -1.2228 -1.2226 -1.1485 -1.1466 1.6792 1.6817 2.1036 2.1061 3.6708 3.6744 4.5999 4.6016 8.1074 8.1115 8.5873 8.5902 10.3931 10.3942 10.8437 10.8452 16.7281 16.7310 17.7031 17.7038 19.8000 19.8041 19.8124 19.8166 k =-0.2871 0.7453 0.1828 ( 1220 PWs) bands (ev): -8.7699 -8.7698 -8.4369 -8.4368 -5.1325 -5.1321 -4.4097 -4.4093 -1.2323 -1.2321 -1.1243 -1.1225 1.7259 1.7284 2.1616 2.1642 3.6658 3.6694 4.5610 4.5627 8.1146 8.1186 8.5671 8.5699 10.3687 10.3695 10.8213 10.8228 16.7257 16.7286 17.6944 17.6951 19.8344 19.8386 19.8501 19.8544 k =-0.2871 0.7453 0.1936 ( 1222 PWs) bands (ev): -8.7565 -8.7564 -8.4366 -8.4365 -5.1364 -5.1360 -4.4619 -4.4615 -1.2407 -1.2405 -1.1039 -1.1021 1.7777 1.7800 2.2205 2.2230 3.6593 3.6629 4.5186 4.5202 8.1221 8.1261 8.5470 8.5499 10.3454 10.3460 10.7977 10.7992 16.7246 16.7275 17.6822 17.6830 19.8719 19.8762 19.8894 19.8938 k =-0.2871 0.7453 0.2044 ( 1222 PWs) bands (ev): -8.7427 -8.7426 -8.4367 -8.4367 -5.1400 -5.1397 -4.5129 -4.5125 -1.2477 -1.2475 -1.0871 -1.0854 1.8344 1.8366 2.2800 2.2825 3.6512 3.6549 4.4726 4.4741 8.1300 8.1340 8.5274 8.5301 10.3237 10.3241 10.7728 10.7744 16.7251 16.7280 17.6666 17.6675 19.9122 19.9167 19.9301 19.9346 k =-0.2871 0.7453 0.2151 ( 1220 PWs) bands (ev): -8.7286 -8.7284 -8.4373 -8.4372 -5.1433 -5.1429 -4.5627 -4.5623 -1.2534 -1.2532 -1.0741 -1.0725 1.8960 1.8980 2.3397 2.3423 3.6415 3.6451 4.4230 4.4243 8.1382 8.1421 8.5081 8.5109 10.3037 10.3040 10.7468 10.7484 16.7275 16.7304 17.6476 17.6485 19.9550 19.9596 19.9718 19.9765 k =-0.2871 0.7453 0.2259 ( 1218 PWs) bands (ev): -8.7141 -8.7140 -8.4383 -8.4382 -5.1460 -5.1457 -4.6109 -4.6105 -1.2576 -1.2574 -1.0646 -1.0631 1.9621 1.9640 2.3995 2.4022 3.6300 3.6336 4.3696 4.3709 8.1468 8.1506 8.4895 8.4922 10.2858 10.2859 10.7197 10.7213 16.7321 16.7349 17.6250 17.6260 19.9997 20.0045 20.0143 20.0191 k =-0.2871 0.7453 0.2366 ( 1218 PWs) bands (ev): -8.6995 -8.6994 -8.4398 -8.4397 -5.1482 -5.1478 -4.6574 -4.6570 -1.2603 -1.2601 -1.0587 -1.0573 2.0325 2.0343 2.4592 2.4618 3.6166 3.6203 4.3127 4.3138 8.1556 8.1594 8.4715 8.4742 10.2700 10.2702 10.6916 10.6932 16.7391 16.7418 17.5991 17.6002 20.0460 20.0507 20.0574 20.0621 k =-0.2871 0.7453 0.2474 ( 1222 PWs) bands (ev): -8.6847 -8.6846 -8.4418 -8.4417 -5.1497 -5.1493 -4.7022 -4.7017 -1.2615 -1.2612 -1.0560 -1.0546 2.1068 2.1084 2.5184 2.5210 3.6015 3.6051 4.2521 4.2531 8.1647 8.1685 8.4541 8.4568 10.2566 10.2569 10.6625 10.6642 16.7486 16.7514 17.5700 17.5711 20.0931 20.0971 20.1013 20.1053 k =-0.2871 0.7453 0.2581 ( 1222 PWs) bands (ev): -8.6699 -8.6697 -8.4445 -8.4444 -5.1503 -5.1499 -4.7449 -4.7445 -1.2611 -1.2609 -1.0562 -1.0550 2.1846 2.1861 2.5768 2.5795 3.5845 3.5881 4.1882 4.1890 8.1741 8.1779 8.4375 8.4402 10.2458 10.2463 10.6328 10.6344 16.7610 16.7637 17.5379 17.5391 20.1402 20.1411 20.1477 20.1487 k =-0.2871 0.7453 0.2689 ( 1226 PWs) bands (ev): -8.6550 -8.6549 -8.4478 -8.4477 -5.1500 -5.1496 -4.7857 -4.7852 -1.2592 -1.2590 -1.0592 -1.0580 2.2654 2.2668 2.6342 2.6369 3.5658 3.5693 4.1208 4.1216 8.1838 8.1875 8.4216 8.4243 10.2378 10.2384 10.6024 10.6041 16.7763 16.7789 17.5031 17.5044 20.1833 20.1856 20.1927 20.1949 k =-0.2871 0.7453 0.2796 ( 1232 PWs) bands (ev): -8.6402 -8.6401 -8.4518 -8.4517 -5.1487 -5.1483 -4.8242 -4.8238 -1.2558 -1.2555 -1.0646 -1.0635 2.3487 2.3500 2.6904 2.6931 3.5453 3.5489 4.0504 4.0510 8.1937 8.1973 8.4063 8.4090 10.2326 10.2334 10.5717 10.5734 16.7945 16.7971 17.4658 17.4672 20.2242 20.2280 20.2374 20.2413 k =-0.2871 0.7453 0.2904 ( 1234 PWs) bands (ev): -8.6255 -8.6254 -8.4565 -8.4564 -5.1461 -5.1457 -4.8606 -4.8602 -1.2510 -1.2506 -1.0720 -1.0710 2.4339 2.4350 2.7450 2.7476 3.5234 3.5270 3.9774 3.9779 8.2039 8.2074 8.3918 8.3945 10.2305 10.2314 10.5409 10.5426 16.8158 16.8183 17.4265 17.4280 20.2636 20.2680 20.2813 20.2859 k =-0.2871 0.7453 0.3011 ( 1233 PWs) bands (ev): -8.6110 -8.6109 -8.4619 -8.4618 -5.1423 -5.1419 -4.8948 -4.8943 -1.2447 -1.2443 -1.0811 -1.0802 2.5203 2.5213 2.7975 2.8002 3.5003 3.5039 3.9022 3.9024 8.2142 8.2177 8.3778 8.3805 10.2315 10.2325 10.5102 10.5120 16.8401 16.8425 17.3856 17.3871 20.3012 20.3060 20.3228 20.3277 k =-0.2871 0.7453 0.3119 ( 1231 PWs) bands (ev): -8.5968 -8.5967 -8.4681 -8.4680 -5.1370 -5.1366 -4.9266 -4.9262 -1.2371 -1.2367 -1.0917 -1.0909 2.6069 2.6078 2.8475 2.8502 3.4765 3.4800 3.8252 3.8253 8.2248 8.2282 8.3644 8.3671 10.2355 10.2366 10.4799 10.4816 16.8673 16.8697 17.3433 17.3449 20.3363 20.3413 20.3608 20.3658 k =-0.2871 0.7453 0.3227 ( 1231 PWs) bands (ev): -8.5830 -8.5828 -8.4750 -8.4749 -5.1302 -5.1298 -4.9561 -4.9557 -1.2282 -1.2278 -1.1035 -1.1027 2.6927 2.6934 2.8943 2.8968 3.4527 3.4561 3.7473 3.7474 8.2355 8.2389 8.3514 8.3542 10.2425 10.2438 10.4502 10.4519 16.8974 16.8997 17.3000 17.3017 20.3686 20.3737 20.3940 20.3992 k =-0.2871 0.7453 0.3334 ( 1231 PWs) bands (ev): -8.5695 -8.5694 -8.4827 -8.4826 -5.1218 -5.1214 -4.9833 -4.9829 -1.2182 -1.2178 -1.1161 -1.1153 2.7758 2.7765 2.9367 2.9391 3.4302 3.4336 3.6696 3.6700 8.2463 8.2497 8.3388 8.3417 10.2525 10.2538 10.4213 10.4230 16.9300 16.9323 17.2561 17.2579 20.3973 20.4026 20.4217 20.4270 k =-0.2871 0.7453 0.3442 ( 1229 PWs) bands (ev): -8.5565 -8.5564 -8.4911 -8.4910 -5.1116 -5.1112 -5.0082 -5.0078 -1.2073 -1.2068 -1.1292 -1.1285 2.8538 2.8545 2.9729 2.9753 3.4112 3.4145 3.5943 3.5950 8.2574 8.2606 8.3266 8.3295 10.2654 10.2668 10.3936 10.3952 16.9652 16.9674 17.2121 17.2139 20.4219 20.4272 20.4429 20.4483 k =-0.2871 0.7453 0.3549 ( 1231 PWs) bands (ev): -8.5440 -8.5439 -8.5003 -8.5002 -5.0995 -5.0991 -5.0308 -5.0304 -1.1954 -1.1950 -1.1428 -1.1421 2.9225 2.9232 3.0001 3.0022 3.3996 3.4027 3.5244 3.5255 8.2685 8.2717 8.3146 8.3176 10.2810 10.2825 10.3672 10.3688 17.0026 17.0047 17.1683 17.1702 20.4415 20.4467 20.4572 20.4625 k =-0.2871 0.7453 0.3657 ( 1229 PWs) bands (ev): -8.5321 -8.5320 -8.5102 -8.5101 -5.0855 -5.0851 -5.0512 -5.0508 -1.1829 -1.1824 -1.1563 -1.1557 2.9756 2.9765 3.0135 3.0152 3.4013 3.4040 3.4650 3.4666 8.2797 8.2828 8.3029 8.3059 10.2992 10.3007 10.3426 10.3442 17.0419 17.0439 17.1251 17.1270 20.4553 20.4600 20.4648 20.4695 k =-0.2871 0.7453 0.3764 ( 1228 PWs) bands (ev): -8.5210 -8.5210 -8.5206 -8.5206 -5.0698 -5.0698 -5.0686 -5.0686 -1.1702 -1.1702 -1.1688 -1.1688 3.0064 3.0064 3.0082 3.0082 3.4222 3.4222 3.4250 3.4250 8.2907 8.2907 8.2949 8.2949 10.3197 10.3197 10.3215 10.3215 17.0827 17.0827 17.0849 17.0849 20.4625 20.4625 20.4693 20.4693 k =-0.2871 0.7453 0.3764 ( 1228 PWs) bands (ev): -8.5210 -8.5210 -8.5206 -8.5206 -5.0698 -5.0698 -5.0686 -5.0686 -1.1702 -1.1702 -1.1688 -1.1688 3.0064 3.0064 3.0082 3.0082 3.4222 3.4222 3.4250 3.4250 8.2907 8.2907 8.2949 8.2949 10.3197 10.3197 10.3215 10.3215 17.0827 17.0827 17.0849 17.0849 20.4625 20.4625 20.4693 20.4693 k =-0.2910 0.7351 0.3764 ( 1232 PWs) bands (ev): -8.5223 -8.5223 -8.5219 -8.5219 -5.1468 -5.1468 -5.1456 -5.1456 -1.1152 -1.1152 -1.1138 -1.1138 3.0101 3.0101 3.0118 3.0118 3.4479 3.4479 3.4507 3.4507 8.3587 8.3587 8.3630 8.3630 10.3271 10.3271 10.3288 10.3288 17.1103 17.1103 17.1125 17.1125 20.4697 20.4697 20.4764 20.4764 k =-0.2950 0.7249 0.3764 ( 1232 PWs) bands (ev): -8.5271 -8.5271 -8.5267 -8.5267 -5.2223 -5.2223 -5.2211 -5.2211 -1.0554 -1.0554 -1.0541 -1.0541 3.0080 3.0080 3.0096 3.0096 3.4781 3.4781 3.4809 3.4809 8.4298 8.4298 8.4341 8.4341 10.3342 10.3342 10.3360 10.3360 17.1409 17.1409 17.1432 17.1432 20.4756 20.4756 20.4821 20.4821 k =-0.2989 0.7146 0.3764 ( 1232 PWs) bands (ev): -8.5354 -8.5354 -8.5350 -8.5350 -5.2963 -5.2963 -5.2951 -5.2951 -0.9909 -0.9909 -0.9896 -0.9896 3.0008 3.0008 3.0024 3.0024 3.5119 3.5119 3.5147 3.5147 8.5037 8.5037 8.5081 8.5081 10.3413 10.3413 10.3430 10.3430 17.1745 17.1745 17.1767 17.1767 20.4803 20.4803 20.4866 20.4866 k =-0.3029 0.7044 0.3764 ( 1232 PWs) bands (ev): -8.5470 -8.5470 -8.5466 -8.5466 -5.3688 -5.3688 -5.3676 -5.3676 -0.9217 -0.9217 -0.9204 -0.9204 2.9896 2.9896 2.9911 2.9911 3.5484 3.5484 3.5513 3.5513 8.5802 8.5802 8.5846 8.5846 10.3483 10.3483 10.3500 10.3500 17.2109 17.2109 17.2131 17.2131 20.4837 20.4837 20.4897 20.4897 k =-0.3068 0.6942 0.3764 ( 1232 PWs) bands (ev): -8.5618 -8.5618 -8.5614 -8.5614 -5.4398 -5.4398 -5.4387 -5.4387 -0.8478 -0.8478 -0.8466 -0.8466 2.9750 2.9750 2.9765 2.9765 3.5868 3.5868 3.5897 3.5897 8.6591 8.6591 8.6636 8.6636 10.3554 10.3554 10.3572 10.3572 17.2500 17.2500 17.2522 17.2522 20.4858 20.4858 20.4916 20.4916 k =-0.3107 0.6839 0.3764 ( 1236 PWs) bands (ev): -8.5796 -8.5796 -8.5791 -8.5791 -5.5094 -5.5094 -5.5083 -5.5083 -0.7694 -0.7694 -0.7682 -0.7682 2.9578 2.9578 2.9593 2.9593 3.6264 3.6264 3.6294 3.6294 8.7402 8.7402 8.7447 8.7447 10.3629 10.3629 10.3646 10.3646 17.2916 17.2916 17.2939 17.2939 20.4866 20.4866 20.4922 20.4922 k =-0.3147 0.6737 0.3764 ( 1236 PWs) bands (ev): -8.6001 -8.6001 -8.5997 -8.5997 -5.5776 -5.5776 -5.5765 -5.5765 -0.6866 -0.6866 -0.6854 -0.6854 2.9385 2.9385 2.9399 2.9399 3.6668 3.6668 3.6698 3.6698 8.8231 8.8231 8.8277 8.8277 10.3710 10.3710 10.3727 10.3727 17.3357 17.3357 17.3380 17.3380 20.4862 20.4862 20.4916 20.4916 k =-0.3186 0.6634 0.3764 ( 1232 PWs) bands (ev): -8.6233 -8.6233 -8.6229 -8.6229 -5.6444 -5.6444 -5.6433 -5.6433 -0.5995 -0.5995 -0.5983 -0.5983 2.9175 2.9175 2.9189 2.9189 3.7076 3.7076 3.7105 3.7105 8.9076 8.9076 8.9123 8.9123 10.3799 10.3799 10.3816 10.3816 17.3821 17.3821 17.3843 17.3843 20.4846 20.4846 20.4898 20.4898 k =-0.3226 0.6532 0.3764 ( 1232 PWs) bands (ev): -8.6489 -8.6489 -8.6485 -8.6485 -5.7098 -5.7098 -5.7087 -5.7087 -0.5083 -0.5083 -0.5072 -0.5072 2.8952 2.8952 2.8967 2.8967 3.7483 3.7483 3.7512 3.7512 8.9931 8.9931 8.9979 8.9979 10.3899 10.3899 10.3917 10.3917 17.4306 17.4306 17.4328 17.4328 20.4818 20.4818 20.4867 20.4867 k =-0.3265 0.6430 0.3764 ( 1236 PWs) bands (ev): -8.6768 -8.6768 -8.6763 -8.6763 -5.7739 -5.7739 -5.7728 -5.7728 -0.4132 -0.4132 -0.4121 -0.4121 2.8720 2.8720 2.8734 2.8734 3.7887 3.7887 3.7916 3.7916 9.0792 9.0792 9.0840 9.0840 10.4015 10.4015 10.4033 10.4033 17.4809 17.4809 17.4832 17.4832 20.4776 20.4776 20.4822 20.4822 k =-0.3305 0.6327 0.3764 ( 1236 PWs) bands (ev): -8.7066 -8.7066 -8.7061 -8.7061 -5.8366 -5.8366 -5.8355 -5.8355 -0.3145 -0.3145 -0.3134 -0.3134 2.8480 2.8480 2.8495 2.8495 3.8287 3.8287 3.8316 3.8316 9.1653 9.1653 9.1703 9.1703 10.4152 10.4152 10.4171 10.4171 17.5330 17.5330 17.5353 17.5353 20.4721 20.4721 20.4765 20.4765 k =-0.3344 0.6225 0.3764 ( 1236 PWs) bands (ev): -8.7382 -8.7382 -8.7377 -8.7377 -5.8980 -5.8980 -5.8970 -5.8970 -0.2122 -0.2122 -0.2112 -0.2112 2.8237 2.8237 2.8251 2.8251 3.8680 3.8680 3.8710 3.8710 9.2509 9.2509 9.2559 9.2559 10.4316 10.4316 10.4335 10.4335 17.5867 17.5867 17.5889 17.5889 20.4650 20.4650 20.4692 20.4692 k =-0.3383 0.6123 0.3764 ( 1236 PWs) bands (ev): -8.7713 -8.7713 -8.7709 -8.7709 -5.9582 -5.9582 -5.9572 -5.9572 -0.1068 -0.1068 -0.1058 -0.1058 2.7991 2.7991 2.8006 2.8006 3.9066 3.9066 3.9095 3.9095 9.3350 9.3350 9.3401 9.3401 10.4513 10.4513 10.4533 10.4533 17.6417 17.6417 17.6439 17.6439 20.4562 20.4562 20.4601 20.4601 k =-0.3423 0.6020 0.3764 ( 1240 PWs) bands (ev): -8.8059 -8.8059 -8.8055 -8.8055 -6.0171 -6.0171 -6.0161 -6.0161 0.0015 0.0015 0.0025 0.0025 2.7747 2.7747 2.7762 2.7762 3.9442 3.9442 3.9471 3.9471 9.4167 9.4167 9.4219 9.4219 10.4752 10.4752 10.4772 10.4772 17.6978 17.6978 17.7000 17.7000 20.4451 20.4451 20.4488 20.4488 k =-0.3462 0.5918 0.3764 ( 1240 PWs) bands (ev): -8.8416 -8.8416 -8.8412 -8.8412 -6.0748 -6.0748 -6.0738 -6.0738 0.1124 0.1124 0.1134 0.1134 2.7506 2.7506 2.7521 2.7521 3.9809 3.9809 3.9838 3.9838 9.4950 9.4950 9.5003 9.5003 10.5043 10.5043 10.5064 10.5064 17.7549 17.7549 17.7571 17.7571 20.4315 20.4315 20.4351 20.4351 k =-0.3502 0.5816 0.3764 ( 1228 PWs) bands (ev): -8.8783 -8.8783 -8.8779 -8.8779 -6.1312 -6.1312 -6.1302 -6.1302 0.2255 0.2255 0.2265 0.2265 2.7272 2.7272 2.7287 2.7287 4.0166 4.0166 4.0195 4.0195 9.5689 9.5689 9.5741 9.5741 10.5398 10.5398 10.5418 10.5418 17.8127 17.8127 17.8150 17.8150 20.4149 20.4149 20.4183 20.4183 k =-0.3541 0.5713 0.3764 ( 1228 PWs) bands (ev): -8.9158 -8.9158 -8.9154 -8.9154 -6.1863 -6.1863 -6.1854 -6.1854 0.3404 0.3404 0.3413 0.3413 2.7047 2.7047 2.7062 2.7062 4.0512 4.0512 4.0541 4.0541 9.6370 9.6370 9.6423 9.6423 10.5822 10.5822 10.5843 10.5843 17.8711 17.8711 17.8733 17.8733 20.3942 20.3942 20.3975 20.3975 k =-0.3581 0.5611 0.3764 ( 1232 PWs) bands (ev): -8.9539 -8.9539 -8.9535 -8.9535 -6.2403 -6.2403 -6.2394 -6.2394 0.4565 0.4565 0.4574 0.4574 2.6834 2.6834 2.6850 2.6850 4.0846 4.0846 4.0875 4.0875 9.6986 9.6986 9.7038 9.7038 10.6326 10.6326 10.6346 10.6346 17.9297 17.9297 17.9319 17.9319 20.3688 20.3688 20.3719 20.3719 k =-0.3620 0.5508 0.3764 ( 1228 PWs) bands (ev): -8.9925 -8.9925 -8.9921 -8.9921 -6.2930 -6.2930 -6.2921 -6.2921 0.5735 0.5735 0.5744 0.5744 2.6639 2.6639 2.6656 2.6656 4.1169 4.1169 4.1198 4.1198 9.7532 9.7532 9.7582 9.7582 10.6914 10.6914 10.6934 10.6934 17.9884 17.9884 17.9907 17.9907 20.3378 20.3378 20.3408 20.3408 k =-0.3659 0.5406 0.3764 ( 1224 PWs) bands (ev): -9.0313 -9.0313 -9.0309 -9.0309 -6.3444 -6.3444 -6.3436 -6.3436 0.6906 0.6906 0.6914 0.6914 2.6466 2.6466 2.6483 2.6483 4.1480 4.1480 4.1508 4.1508 9.8004 9.8004 9.8052 9.8052 10.7588 10.7588 10.7607 10.7607 18.0470 18.0470 18.0493 18.0493 20.3004 20.3004 20.3033 20.3033 k =-0.3699 0.5304 0.3764 ( 1224 PWs) bands (ev): -9.0703 -9.0703 -9.0699 -9.0699 -6.3946 -6.3946 -6.3938 -6.3938 0.8071 0.8071 0.8079 0.8079 2.6320 2.6320 2.6338 2.6338 4.1778 4.1778 4.1807 4.1807 9.8403 9.8403 9.8450 9.8450 10.8343 10.8343 10.8361 10.8361 18.1051 18.1051 18.1074 18.1074 20.2557 20.2557 20.2585 20.2585 k =-0.3738 0.5201 0.3764 ( 1224 PWs) bands (ev): -9.1093 -9.1093 -9.1089 -9.1089 -6.4435 -6.4435 -6.4427 -6.4427 0.9221 0.9221 0.9230 0.9230 2.6209 2.6209 2.6228 2.6228 4.2064 4.2064 4.2092 4.2092 9.8737 9.8737 9.8782 9.8782 10.9171 10.9171 10.9188 10.9188 18.1624 18.1624 18.1648 18.1648 20.2031 20.2031 20.2058 20.2058 k =-0.3778 0.5099 0.3764 ( 1224 PWs) bands (ev): -9.1481 -9.1481 -9.1477 -9.1477 -6.4912 -6.4912 -6.4904 -6.4904 1.0347 1.0347 1.0355 1.0355 2.6142 2.6142 2.6162 2.6162 4.2337 4.2337 4.2366 4.2366 9.9013 9.9013 9.9056 9.9056 11.0064 11.0064 11.0080 11.0080 18.2187 18.2187 18.2211 18.2211 20.1422 20.1422 20.1448 20.1448 k =-0.3817 0.4997 0.3764 ( 1222 PWs) bands (ev): -9.1866 -9.1866 -9.1863 -9.1863 -6.5375 -6.5375 -6.5368 -6.5368 1.1434 1.1434 1.1442 1.1442 2.6129 2.6129 2.6150 2.6150 4.2599 4.2599 4.2628 4.2628 9.9240 9.9240 9.9280 9.9280 11.1011 11.1011 11.1027 11.1027 18.2734 18.2734 18.2759 18.2759 20.0727 20.0727 20.0752 20.0752 k =-0.3857 0.4894 0.3764 ( 1222 PWs) bands (ev): -9.2248 -9.2248 -9.2245 -9.2245 -6.5826 -6.5826 -6.5819 -6.5819 1.2469 1.2469 1.2477 1.2477 2.6183 2.6183 2.6205 2.6205 4.2849 4.2849 4.2878 4.2878 9.9425 9.9425 9.9463 9.9463 11.2001 11.2001 11.2017 11.2017 18.3262 18.3262 18.3288 18.3288 19.9948 19.9948 19.9973 19.9973 k =-0.3896 0.4792 0.3764 ( 1222 PWs) bands (ev): -9.2625 -9.2625 -9.2622 -9.2622 -6.6264 -6.6264 -6.6257 -6.6257 1.3434 1.3434 1.3442 1.3442 2.6319 2.6319 2.6342 2.6342 4.3087 4.3087 4.3116 4.3116 9.9576 9.9576 9.9612 9.9612 11.3026 11.3026 11.3042 11.3042 18.3762 18.3762 18.3789 18.3789 19.9090 19.9090 19.9116 19.9116 k =-0.3935 0.4690 0.3764 ( 1214 PWs) bands (ev): -9.2996 -9.2996 -9.2993 -9.2993 -6.6688 -6.6688 -6.6682 -6.6682 1.4312 1.4312 1.4321 1.4321 2.6552 2.6552 2.6576 2.6576 4.3314 4.3314 4.3343 4.3343 9.9700 9.9700 9.9734 9.9734 11.4078 11.4078 11.4094 11.4094 18.4228 18.4228 18.4257 18.4257 19.8165 19.8165 19.8192 19.8192 k =-0.3975 0.4587 0.3764 ( 1218 PWs) bands (ev): -9.3360 -9.3360 -9.3357 -9.3357 -6.7099 -6.7099 -6.7093 -6.7093 1.5086 1.5086 1.5096 1.5096 2.6895 2.6895 2.6921 2.6921 4.3530 4.3530 4.3560 4.3560 9.9800 9.9800 9.9832 9.9832 11.5147 11.5147 11.5164 11.5164 18.4643 18.4643 18.4673 18.4673 19.7186 19.7186 19.7216 19.7216 k =-0.4014 0.4485 0.3764 ( 1218 PWs) bands (ev): -9.3716 -9.3716 -9.3713 -9.3713 -6.7496 -6.7496 -6.7490 -6.7490 1.5745 1.5745 1.5754 1.5754 2.7359 2.7359 2.7386 2.7386 4.3736 4.3736 4.3766 4.3766 9.9881 9.9881 9.9911 9.9911 11.6231 11.6231 11.6248 11.6248 18.4988 18.4988 18.5021 18.5021 19.6183 19.6183 19.6215 19.6215 k =-0.4054 0.4383 0.3764 ( 1218 PWs) bands (ev): -9.4063 -9.4063 -9.4061 -9.4061 -6.7880 -6.7880 -6.7874 -6.7874 1.6283 1.6283 1.6292 1.6292 2.7946 2.7946 2.7974 2.7974 4.3932 4.3932 4.3962 4.3962 9.9947 9.9947 9.9976 9.9976 11.7321 11.7321 11.7338 11.7338 18.5237 18.5237 18.5273 18.5273 19.5190 19.5190 19.5227 19.5227 k =-0.4093 0.4280 0.3764 ( 1218 PWs) bands (ev): -9.4401 -9.4401 -9.4399 -9.4399 -6.8249 -6.8249 -6.8244 -6.8244 1.6703 1.6703 1.6711 1.6711 2.8649 2.8649 2.8678 2.8678 4.4119 4.4119 4.4149 4.4149 10.0000 10.0000 10.0027 10.0027 11.8412 11.8412 11.8429 11.8429 18.5346 18.5346 18.5385 18.5385 19.4262 19.4262 19.4302 19.4302 k =-0.4133 0.4178 0.3764 ( 1214 PWs) bands (ev): -9.4729 -9.4729 -9.4727 -9.4727 -6.8604 -6.8604 -6.8599 -6.8599 1.7015 1.7015 1.7024 1.7024 2.9455 2.9455 2.9484 2.9484 4.4298 4.4298 4.4329 4.4329 10.0042 10.0042 10.0068 10.0068 11.9502 11.9502 11.9519 11.9519 18.5263 18.5263 18.5304 18.5304 19.3462 19.3462 19.3507 19.3507 k =-0.4172 0.4075 0.3764 ( 1216 PWs) bands (ev): -9.5047 -9.5047 -9.5045 -9.5045 -6.8945 -6.8945 -6.8940 -6.8940 1.7235 1.7235 1.7243 1.7243 3.0345 3.0345 3.0374 3.0374 4.4468 4.4468 4.4500 4.4500 10.0075 10.0075 10.0100 10.0100 12.0583 12.0583 12.0600 12.0600 18.4934 18.4934 18.4975 18.4975 19.2857 19.2857 19.2903 19.2903 k =-0.4211 0.3973 0.3764 ( 1216 PWs) bands (ev): -9.5353 -9.5353 -9.5351 -9.5351 -6.9271 -6.9271 -6.9266 -6.9266 1.7380 1.7380 1.7387 1.7387 3.1297 3.1297 3.1327 3.1327 4.4633 4.4633 4.4665 4.4665 10.0101 10.0101 10.0125 10.0125 12.1653 12.1653 12.1670 12.1670 18.4336 18.4336 18.4375 18.4375 19.2481 19.2481 19.2526 19.2526 k =-0.4251 0.3871 0.3764 ( 1220 PWs) bands (ev): -9.5647 -9.5647 -9.5645 -9.5645 -6.9582 -6.9582 -6.9578 -6.9578 1.7464 1.7464 1.7471 1.7471 3.2292 3.2292 3.2322 3.2322 4.4792 4.4792 4.4825 4.4825 10.0121 10.0121 10.0143 10.0143 12.2705 12.2705 12.2722 12.2722 18.3491 18.3491 18.3526 18.3526 19.2323 19.2323 19.2366 19.2366 k =-0.4290 0.3768 0.3764 ( 1220 PWs) bands (ev): -9.5929 -9.5929 -9.5927 -9.5927 -6.9879 -6.9879 -6.9874 -6.9874 1.7503 1.7503 1.7509 1.7509 3.3312 3.3312 3.3342 3.3342 4.4948 4.4948 4.4982 4.4982 10.0135 10.0135 10.0157 10.0157 12.3739 12.3739 12.3756 12.3756 18.2457 18.2457 18.2487 18.2487 19.2335 19.2335 19.2374 19.2374 k =-0.4330 0.3666 0.3764 ( 1228 PWs) bands (ev): -9.6198 -9.6198 -9.6196 -9.6196 -7.0160 -7.0160 -7.0156 -7.0156 1.7506 1.7506 1.7511 1.7511 3.4338 3.4338 3.4370 3.4370 4.5101 4.5101 4.5136 4.5136 10.0144 10.0144 10.0165 10.0165 12.4749 12.4749 12.4765 12.4765 18.1297 18.1297 18.1323 18.1323 19.2462 19.2462 19.2498 19.2498 k =-0.4369 0.3564 0.3764 ( 1228 PWs) bands (ev): -9.6453 -9.6453 -9.6451 -9.6451 -7.0426 -7.0426 -7.0423 -7.0423 1.7484 1.7484 1.7489 1.7489 3.5358 3.5358 3.5390 3.5390 4.5254 4.5254 4.5290 4.5290 10.0149 10.0149 10.0169 10.0169 12.5732 12.5732 12.5748 12.5748 18.0065 18.0065 18.0086 18.0086 19.2662 19.2662 19.2695 19.2695 k =-0.4409 0.3461 0.3764 ( 1232 PWs) bands (ev): -9.6695 -9.6695 -9.6693 -9.6693 -7.0677 -7.0677 -7.0674 -7.0674 1.7443 1.7443 1.7447 1.7447 3.6357 3.6357 3.6390 3.6390 4.5409 4.5409 4.5446 4.5446 10.0151 10.0151 10.0170 10.0170 12.6684 12.6684 12.6700 12.6700 17.8799 17.8799 17.8817 17.8817 19.2904 19.2904 19.2934 19.2934 k =-0.4448 0.3359 0.3764 ( 1226 PWs) bands (ev): -9.6923 -9.6923 -9.6921 -9.6921 -7.0912 -7.0912 -7.0909 -7.0909 1.7390 1.7390 1.7393 1.7393 3.7323 3.7323 3.7357 3.7357 4.5570 4.5570 4.5608 4.5608 10.0150 10.0150 10.0168 10.0168 12.7606 12.7606 12.7621 12.7621 17.7528 17.7528 17.7544 17.7544 19.3167 19.3167 19.3195 19.3195 k =-0.4487 0.3257 0.3764 ( 1222 PWs) bands (ev): -9.7136 -9.7136 -9.7134 -9.7134 -7.1132 -7.1132 -7.1129 -7.1129 1.7328 1.7328 1.7332 1.7332 3.8243 3.8243 3.8278 3.8278 4.5738 4.5738 4.5777 4.5777 10.0148 10.0148 10.0164 10.0164 12.8485 12.8485 12.8499 12.8499 17.6275 17.6275 17.6288 17.6288 19.3438 19.3438 19.3464 19.3464 k =-0.4527 0.3154 0.3764 ( 1222 PWs) bands (ev): -9.7334 -9.7334 -9.7333 -9.7333 -7.1336 -7.1336 -7.1333 -7.1333 1.7263 1.7263 1.7266 1.7266 3.9105 3.9105 3.9141 3.9141 4.5918 4.5918 4.5958 4.5958 10.0142 10.0142 10.0157 10.0157 12.9321 12.9321 12.9335 12.9335 17.5057 17.5057 17.5068 17.5068 19.3706 19.3706 19.3731 19.3731 k =-0.4566 0.3052 0.3764 ( 1222 PWs) bands (ev): -9.7518 -9.7518 -9.7517 -9.7517 -7.1524 -7.1524 -7.1521 -7.1521 1.7194 1.7194 1.7197 1.7197 3.9900 3.9900 3.9936 3.9936 4.6113 4.6113 4.6154 4.6154 10.0135 10.0135 10.0149 10.0149 13.0111 13.0111 13.0124 13.0124 17.3887 17.3887 17.3897 17.3897 19.3965 19.3965 19.3988 19.3988 k =-0.4606 0.2950 0.3764 ( 1222 PWs) bands (ev): -9.7687 -9.7687 -9.7686 -9.7686 -7.1696 -7.1696 -7.1694 -7.1694 1.7127 1.7127 1.7129 1.7129 4.0617 4.0617 4.0654 4.0654 4.6327 4.6327 4.6367 4.6367 10.0127 10.0127 10.0140 10.0140 13.0851 13.0851 13.0863 13.0863 17.2779 17.2779 17.2787 17.2787 19.4210 19.4210 19.4231 19.4231 k =-0.4645 0.2847 0.3764 ( 1222 PWs) bands (ev): -9.7840 -9.7840 -9.7839 -9.7839 -7.1852 -7.1852 -7.1850 -7.1850 1.7061 1.7061 1.7063 1.7063 4.1249 4.1249 4.1285 4.1285 4.6560 4.6560 4.6599 4.6599 10.0117 10.0117 10.0129 10.0129 13.1537 13.1537 13.1548 13.1548 17.1743 17.1743 17.1750 17.1750 19.4438 19.4438 19.4457 19.4457 k =-0.4685 0.2745 0.3764 ( 1222 PWs) bands (ev): -9.7977 -9.7977 -9.7976 -9.7976 -7.1991 -7.1991 -7.1990 -7.1990 1.7000 1.7000 1.7001 1.7001 4.1791 4.1791 4.1825 4.1825 4.6810 4.6810 4.6848 4.6848 10.0108 10.0108 10.0119 10.0119 13.2164 13.2164 13.2175 13.2175 17.0787 17.0787 17.0793 17.0793 19.4646 19.4646 19.4664 19.4664 k =-0.4724 0.2642 0.3764 ( 1220 PWs) bands (ev): -9.8099 -9.8099 -9.8098 -9.8098 -7.2115 -7.2115 -7.2113 -7.2113 1.6943 1.6943 1.6944 1.6944 4.2244 4.2244 4.2275 4.2275 4.7075 4.7075 4.7109 4.7109 10.0099 10.0099 10.0108 10.0108 13.2730 13.2730 13.2739 13.2739 16.9922 16.9922 16.9927 16.9927 19.4832 19.4832 19.4848 19.4848 k =-0.4763 0.2540 0.3764 ( 1220 PWs) bands (ev): -9.8205 -9.8205 -9.8204 -9.8204 -7.2222 -7.2222 -7.2221 -7.2221 1.6892 1.6892 1.6893 1.6893 4.2611 4.2611 4.2639 4.2639 4.7340 4.7340 4.7371 4.7371 10.0090 10.0090 10.0098 10.0098 13.3229 13.3229 13.3237 13.3237 16.9155 16.9155 16.9159 16.9159 19.4995 19.4995 19.5010 19.5010 k =-0.4803 0.2438 0.3764 ( 1220 PWs) bands (ev): -9.8294 -9.8294 -9.8294 -9.8294 -7.2313 -7.2313 -7.2312 -7.2312 1.6848 1.6848 1.6849 1.6849 4.2901 4.2901 4.2924 4.2924 4.7596 4.7596 4.7622 4.7622 10.0082 10.0082 10.0088 10.0088 13.3659 13.3659 13.3666 13.3666 16.8493 16.8493 16.8496 16.8496 19.5135 19.5135 19.5147 19.5147 k =-0.4842 0.2335 0.3764 ( 1220 PWs) bands (ev): -9.8368 -9.8368 -9.8367 -9.8367 -7.2387 -7.2387 -7.2386 -7.2386 1.6811 1.6811 1.6812 1.6812 4.3123 4.3123 4.3141 4.3141 4.7828 4.7828 4.7849 4.7849 10.0074 10.0074 10.0080 10.0080 13.4016 13.4016 13.4022 13.4022 16.7942 16.7942 16.7945 16.7945 19.5250 19.5250 19.5260 19.5260 k =-0.4882 0.2233 0.3764 ( 1220 PWs) bands (ev): -9.8425 -9.8425 -9.8425 -9.8425 -7.2445 -7.2445 -7.2444 -7.2444 1.6782 1.6782 1.6783 1.6783 4.3285 4.3285 4.3299 4.3299 4.8023 4.8023 4.8039 4.8039 10.0069 10.0069 10.0073 10.0073 13.4298 13.4298 13.4302 13.4302 16.7508 16.7508 16.7510 16.7510 19.5340 19.5340 19.5347 19.5347 k =-0.4921 0.2131 0.3764 ( 1216 PWs) bands (ev): -9.8466 -9.8466 -9.8466 -9.8466 -7.2486 -7.2486 -7.2486 -7.2486 1.6761 1.6761 1.6762 1.6762 4.3397 4.3397 4.3406 4.3406 4.8171 4.8171 4.8181 4.8181 10.0065 10.0065 10.0068 10.0068 13.4501 13.4501 13.4504 13.4504 16.7194 16.7194 16.7196 16.7196 19.5406 19.5406 19.5411 19.5411 k =-0.4961 0.2028 0.3764 ( 1220 PWs) bands (ev): -9.8491 -9.8491 -9.8491 -9.8491 -7.2511 -7.2511 -7.2511 -7.2511 1.6749 1.6749 1.6749 1.6749 4.3462 4.3462 4.3467 4.3467 4.8264 4.8264 4.8269 4.8269 10.0063 10.0063 10.0064 10.0064 13.4624 13.4624 13.4625 13.4625 16.7005 16.7005 16.7006 16.7006 19.5445 19.5445 19.5447 19.5447 k =-0.5000 0.1926 0.3764 ( 1224 PWs) bands (ev): -9.8499 -9.8499 -9.8499 -9.8499 -7.2519 -7.2519 -7.2519 -7.2519 1.6744 1.6744 1.6744 1.6744 4.3485 4.3485 4.3485 4.3485 4.8296 4.8296 4.8296 4.8296 10.0062 10.0062 10.0062 10.0062 13.4665 13.4665 13.4665 13.4665 16.6942 16.6942 16.6942 16.6942 19.5459 19.5459 19.5459 19.5459 k =-0.5000 0.1926 0.3764 ( 1224 PWs) bands (ev): -9.8499 -9.8499 -9.8499 -9.8499 -7.2519 -7.2519 -7.2519 -7.2519 1.6744 1.6744 1.6744 1.6744 4.3485 4.3485 4.3485 4.3485 4.8296 4.8296 4.8296 4.8296 10.0062 10.0062 10.0062 10.0062 13.4665 13.4665 13.4665 13.4665 16.6942 16.6942 16.6942 16.6942 19.5459 19.5459 19.5459 19.5459 k =-0.5000 0.1926 0.3657 ( 1224 PWs) bands (ev): -9.8853 -9.8853 -9.8148 -9.8148 -7.3006 -7.3006 -7.2009 -7.2009 1.6647 1.6647 1.6717 1.6717 4.3251 4.3251 4.3824 4.3824 4.7926 4.7926 4.8672 4.8672 9.9835 9.9835 10.0329 10.0329 13.4241 13.4241 13.5083 13.5083 16.6590 16.6590 16.7284 16.7284 19.5352 19.5352 19.5524 19.5524 k =-0.5000 0.1926 0.3549 ( 1218 PWs) bands (ev): -9.9208 -9.9208 -9.7800 -9.7800 -7.3468 -7.3468 -7.1478 -7.1478 1.6432 1.6432 1.6561 1.6561 4.3128 4.3128 4.4262 4.4262 4.7560 4.7560 4.9051 4.9051 9.9651 9.9651 10.0634 10.0634 13.3812 13.3812 13.5495 13.5495 16.6230 16.6230 16.7616 16.7616 19.5212 19.5212 19.5543 19.5543 k =-0.5000 0.1926 0.3442 ( 1218 PWs) bands (ev): -9.9563 -9.9563 -9.7458 -9.7458 -7.3906 -7.3906 -7.0926 -7.0926 1.6110 1.6110 1.6277 1.6277 4.3116 4.3116 4.4785 4.4785 4.7199 4.7199 4.9432 4.9432 9.9510 9.9510 10.0975 10.0975 13.3379 13.3379 13.5900 13.5900 16.5863 16.5863 16.7937 16.7937 19.5042 19.5042 19.5508 19.5508 k =-0.5000 0.1926 0.3334 ( 1218 PWs) bands (ev): -9.9917 -9.9917 -9.7124 -9.7124 -7.4316 -7.4316 -7.0355 -7.0355 1.5691 1.5691 1.5870 1.5870 4.3211 4.3211 4.5383 4.5383 4.6845 4.6845 4.9815 4.9815 9.9414 9.9414 10.1349 10.1349 13.2941 13.2941 13.6296 13.6296 16.5490 16.5490 16.8244 16.8244 19.4847 19.4847 19.5410 19.5410 k =-0.5000 0.1926 0.3227 ( 1218 PWs) bands (ev): -10.0268 -10.0268 -9.6798 -9.6798 -7.4699 -7.4699 -6.9766 -6.9766 1.5190 1.5190 1.5347 1.5347 4.3405 4.3405 4.6040 4.6040 4.6497 4.6497 5.0200 5.0200 9.9366 9.9366 10.1756 10.1756 13.2502 13.2502 13.6683 13.6683 16.5111 16.5111 16.8536 16.8536 19.4633 19.4633 19.5240 19.5240 k =-0.5000 0.1926 0.3119 ( 1220 PWs) bands (ev): -10.0616 -10.0616 -9.6482 -9.6482 -7.5054 -7.5054 -6.9161 -6.9161 1.4617 1.4617 1.4718 1.4718 4.3691 4.3691 4.6155 4.6155 4.6746 4.6746 5.0586 5.0586 9.9367 9.9367 10.2193 10.2193 13.2060 13.2060 13.7062 13.7062 16.4727 16.4727 16.8812 16.8812 19.4400 19.4400 19.4991 19.4991 k =-0.5000 0.1926 0.3011 ( 1220 PWs) bands (ev): -10.0959 -10.0959 -9.6178 -9.6178 -7.5379 -7.5379 -6.8540 -6.8540 1.3983 1.3983 1.3998 1.3998 4.4055 4.4055 4.5822 4.5822 4.7484 4.7484 5.0971 5.0971 9.9419 9.9419 10.2657 10.2657 13.1618 13.1618 13.7430 13.7430 16.4339 16.4339 16.9070 16.9070 19.4153 19.4153 19.4657 19.4657 k =-0.5000 0.1926 0.2904 ( 1220 PWs) bands (ev): -10.1297 -10.1297 -9.5887 -9.5887 -7.5673 -7.5673 -6.7906 -6.7906 1.3193 1.3193 1.3305 1.3305 4.4487 4.4487 4.5496 4.5496 4.8245 4.8245 5.1355 5.1355 9.9523 9.9523 10.3148 10.3148 13.1176 13.1176 13.7789 13.7789 16.3946 16.3946 16.9309 16.9309 19.3896 19.3896 19.4233 19.4233 k =-0.5000 0.1926 0.2796 ( 1224 PWs) bands (ev): -10.1629 -10.1629 -9.5612 -9.5612 -7.5936 -7.5936 -6.7259 -6.7259 1.2322 1.2322 1.2586 1.2586 4.4973 4.4973 4.5179 4.5179 4.9017 4.9017 5.1738 5.1738 9.9680 9.9680 10.3662 10.3662 13.0736 13.0736 13.8136 13.8136 16.3549 16.3549 16.9527 16.9527 19.3630 19.3630 19.3718 19.3718 k =-0.5000 0.1926 0.2689 ( 1224 PWs) bands (ev): -10.1953 -10.1953 -9.5352 -9.5352 -7.6167 -7.6167 -6.6601 -6.6601 1.1395 1.1395 1.1839 1.1839 4.4869 4.4869 4.5505 4.5505 4.9791 4.9791 5.2117 5.2117 9.9890 9.9890 10.4197 10.4197 13.0298 13.0298 13.8473 13.8473 16.3149 16.3149 16.9722 16.9722 19.3115 19.3115 19.3358 19.3358 k =-0.5000 0.1926 0.2581 ( 1224 PWs) bands (ev): -10.2270 -10.2270 -9.5110 -9.5110 -7.6366 -7.6366 -6.5935 -6.5935 1.0424 1.0424 1.1071 1.1071 4.4569 4.4569 4.6070 4.6070 5.0559 5.0559 5.2494 5.2494 10.0155 10.0155 10.4751 10.4751 12.9864 12.9864 13.8798 13.8798 16.2745 16.2745 16.9893 16.9893 19.2431 19.2431 19.3084 19.3084 k =-0.5000 0.1926 0.2474 ( 1230 PWs) bands (ev): -10.2578 -10.2578 -9.4886 -9.4886 -7.6534 -7.6534 -6.5260 -6.5260 0.9418 0.9418 1.0289 1.0289 4.4279 4.4279 4.6658 4.6658 5.1312 5.1312 5.2865 5.2865 10.0473 10.0473 10.5322 10.5322 12.9434 12.9434 13.9109 13.9109 16.2338 16.2338 17.0038 17.0038 19.1673 19.1673 19.2807 19.2807 k =-0.5000 0.1926 0.2366 ( 1230 PWs) bands (ev): -10.2877 -10.2877 -9.4682 -9.4682 -7.6669 -7.6669 -6.4580 -6.4580 0.8387 0.8387 0.9500 0.9500 4.3999 4.3999 4.7262 4.7262 5.2045 5.2045 5.3232 5.3232 10.0844 10.0844 10.5907 10.5907 12.9010 12.9010 13.9411 13.9411 16.1926 16.1926 17.0156 17.0156 19.0855 19.0855 19.2533 19.2533 k =-0.5000 0.1926 0.2259 ( 1222 PWs) bands (ev): -10.3166 -10.3166 -9.4497 -9.4497 -7.6774 -7.6774 -6.3896 -6.3896 0.7340 0.7340 0.8711 0.8711 4.3729 4.3729 4.7875 4.7875 5.2754 5.2754 5.3592 5.3592 10.1267 10.1267 10.6504 10.6504 12.8594 12.8594 13.9700 13.9700 16.1511 16.1511 17.0246 17.0246 18.9986 18.9986 19.2263 19.2263 k =-0.5000 0.1926 0.2151 ( 1222 PWs) bands (ev): -10.3445 -10.3445 -9.4331 -9.4331 -7.6849 -7.6849 -6.3210 -6.3210 0.6284 0.6284 0.7925 0.7925 4.3470 4.3470 4.8489 4.8489 5.3432 5.3432 5.3946 5.3946 10.1739 10.1739 10.7109 10.7109 12.8186 12.8186 13.9976 13.9976 16.1091 16.1091 17.0307 17.0307 18.9079 18.9079 19.2000 19.2000 k =-0.5000 0.1926 0.2044 ( 1218 PWs) bands (ev): -10.3713 -10.3713 -9.4185 -9.4185 -7.6896 -7.6896 -6.2524 -6.2524 0.5226 0.5226 0.7148 0.7148 4.3222 4.3222 4.9100 4.9100 5.4075 5.4075 5.4292 5.4292 10.2261 10.2261 10.7720 10.7720 12.7788 12.7788 14.0239 14.0239 16.0667 16.0667 17.0339 17.0339 18.8146 18.8146 19.1744 19.1744 k =-0.5000 0.1926 0.1936 ( 1218 PWs) bands (ev): -10.3970 -10.3970 -9.4059 -9.4059 -7.6916 -7.6916 -6.1842 -6.1842 0.4172 0.4172 0.6384 0.6384 4.2984 4.2984 4.9701 4.9701 5.4611 5.4611 5.4701 5.4701 10.2824 10.2824 10.8333 10.8333 12.7400 12.7400 14.0489 14.0489 16.0238 16.0238 17.0341 17.0341 18.7196 18.7196 19.1499 19.1499 k =-0.5000 0.1926 0.1828 ( 1218 PWs) bands (ev): -10.4215 -10.4215 -9.3950 -9.3950 -7.6911 -7.6911 -6.1165 -6.1165 0.3130 0.3130 0.5638 0.5638 4.2758 4.2758 5.0289 5.0289 5.4944 5.4944 5.5264 5.5264 10.3427 10.3427 10.8946 10.8946 12.7024 12.7024 14.0726 14.0726 15.9805 15.9805 17.0315 17.0315 18.6242 18.6242 19.1267 19.1267 k =-0.5000 0.1926 0.1721 ( 1218 PWs) bands (ev): -10.4448 -10.4448 -9.3859 -9.3859 -7.6885 -7.6885 -6.0496 -6.0496 0.2105 0.2105 0.4914 0.4914 4.2544 4.2544 5.0859 5.0859 5.5258 5.5258 5.5797 5.5797 10.4064 10.4064 10.9554 10.9554 12.6662 12.6662 14.0950 14.0950 15.9367 15.9367 17.0261 17.0261 18.5293 18.5293 19.1048 19.1048 k =-0.5000 0.1926 0.1613 ( 1218 PWs) bands (ev): -10.4668 -10.4668 -9.3783 -9.3783 -7.6840 -7.6840 -5.9838 -5.9838 0.1103 0.1103 0.4214 0.4214 4.2342 4.2342 5.1409 5.1409 5.5558 5.5558 5.6292 5.6292 10.4730 10.4730 11.0154 11.0154 12.6314 12.6314 14.1161 14.1161 15.8925 15.8925 17.0182 17.0182 18.4359 18.4359 19.0843 19.0843 k =-0.5000 0.1926 0.1506 ( 1218 PWs) bands (ev): -10.4876 -10.4876 -9.3723 -9.3723 -7.6778 -7.6778 -5.9194 -5.9194 0.0129 0.0129 0.3543 0.3543 4.2151 4.2151 5.1934 5.1934 5.5845 5.5845 5.6748 5.6748 10.5418 10.5418 11.0743 11.0743 12.5982 12.5982 14.1358 14.1358 15.8480 15.8480 17.0079 17.0079 18.3447 18.3447 19.0655 19.0655 k =-0.5000 0.1926 0.1398 ( 1218 PWs) bands (ev): -10.5071 -10.5071 -9.3675 -9.3675 -7.6703 -7.6703 -5.8568 -5.8568 -0.0812 -0.0812 0.2903 0.2903 4.1973 4.1973 5.2434 5.2434 5.6118 5.6118 5.7165 5.7165 10.6122 10.6122 11.1317 11.1317 12.5666 12.5666 14.1541 14.1541 15.8033 15.8033 16.9956 16.9956 18.2567 18.2567 19.0482 19.0482 k =-0.5000 0.1926 0.1291 ( 1218 PWs) bands (ev): -10.5252 -10.5252 -9.3638 -9.3638 -7.6618 -7.6618 -5.7964 -5.7964 -0.1713 -0.1713 0.2298 0.2298 4.1808 4.1808 5.2904 5.2904 5.6375 5.6375 5.7545 5.7545 10.6832 10.6832 11.1871 11.1871 12.5369 12.5369 14.1711 14.1711 15.7587 15.7587 16.9816 16.9816 18.1725 18.1725 19.0326 19.0326 k =-0.5000 0.1926 0.1183 ( 1214 PWs) bands (ev): -10.5419 -10.5419 -9.3612 -9.3612 -7.6526 -7.6526 -5.7385 -5.7385 -0.2569 -0.2569 0.1731 0.1731 4.1655 4.1655 5.3344 5.3344 5.6615 5.6615 5.7888 5.7888 10.7541 10.7541 11.2404 11.2404 12.5090 12.5090 14.1868 14.1868 15.7143 15.7143 16.9664 16.9664 18.0929 18.0929 19.0185 19.0185 k =-0.5000 0.1926 0.1076 ( 1214 PWs) bands (ev): -10.5573 -10.5573 -9.3593 -9.3593 -7.6431 -7.6431 -5.6836 -5.6836 -0.3376 -0.3376 0.1203 0.1203 4.1515 4.1515 5.3751 5.3751 5.6838 5.6838 5.8195 5.8195 10.8238 10.8238 11.2907 11.2907 12.4832 12.4832 14.2011 14.2011 15.6706 15.6706 16.9503 16.9503 18.0185 18.0185 19.0061 19.0061 k =-0.5000 0.1926 0.0968 ( 1218 PWs) bands (ev): -10.5713 -10.5713 -9.3581 -9.3581 -7.6334 -7.6334 -5.6321 -5.6321 -0.4128 -0.4128 0.0718 0.0718 4.1387 4.1387 5.4123 5.4123 5.7042 5.7042 5.8468 5.8468 10.8913 10.8913 11.3377 11.3377 12.4594 12.4594 14.2139 14.2139 15.6281 15.6281 16.9337 16.9337 17.9498 17.9498 18.9951 18.9951 k =-0.5000 0.1926 0.0860 ( 1216 PWs) bands (ev): -10.5838 -10.5838 -9.3575 -9.3575 -7.6240 -7.6240 -5.5843 -5.5843 -0.4818 -0.4818 0.0278 0.0278 4.1273 4.1273 5.4460 5.4460 5.7228 5.7228 5.8708 5.8708 10.9557 10.9557 11.3812 11.3812 12.4380 12.4380 14.2255 14.2255 15.5872 15.5872 16.9173 16.9173 17.8873 17.8873 18.9857 18.9857 k =-0.5000 0.1926 0.0753 ( 1210 PWs) bands (ev): -10.5949 -10.5949 -9.3572 -9.3572 -7.6149 -7.6149 -5.5409 -5.5409 -0.5443 -0.5443 -0.0116 -0.0116 4.1173 4.1173 5.4760 5.4760 5.7394 5.7394 5.8916 5.8916 11.0160 11.0160 11.4208 11.4208 12.4188 12.4188 14.2358 14.2358 15.5486 15.5486 16.9014 16.9014 17.8315 17.8315 18.9776 18.9776 k =-0.5000 0.1926 0.0645 ( 1210 PWs) bands (ev): -10.6046 -10.6046 -9.3573 -9.3573 -7.6066 -7.6066 -5.5022 -5.5022 -0.5997 -0.5997 -0.0461 -0.0461 4.1085 4.1085 5.5021 5.5021 5.7539 5.7539 5.9094 5.9094 11.0710 11.0710 11.4560 11.4560 12.4020 12.4020 14.2446 14.2446 15.5131 15.5131 16.8865 16.8865 17.7826 17.7826 18.9708 18.9708 k =-0.5000 0.1926 0.0538 ( 1210 PWs) bands (ev): -10.6128 -10.6128 -9.3575 -9.3575 -7.5992 -7.5992 -5.4685 -5.4685 -0.6474 -0.6474 -0.0755 -0.0755 4.1011 4.1011 5.5244 5.5244 5.7662 5.7662 5.9241 5.9241 11.1197 11.1197 11.4864 11.4864 12.3877 12.3877 14.2521 14.2521 15.4813 15.4813 16.8731 16.8731 17.7408 17.7408 18.9652 18.9652 k =-0.5000 0.1926 0.0430 ( 1210 PWs) bands (ev): -10.6195 -10.6195 -9.3577 -9.3577 -7.5929 -7.5929 -5.4404 -5.4404 -0.6872 -0.6872 -0.0999 -0.0999 4.0950 4.0950 5.5428 5.5428 5.7765 5.7765 5.9361 5.9361 11.1611 11.1611 11.5117 11.5117 12.3759 12.3759 14.2582 14.2582 15.4540 15.4540 16.8615 16.8615 17.7064 17.7064 18.9607 18.9607 k =-0.5000 0.1926 0.0323 ( 1208 PWs) bands (ev): -10.6247 -10.6247 -9.3580 -9.3580 -7.5878 -7.5878 -5.4182 -5.4182 -0.7185 -0.7185 -0.1189 -0.1189 4.0903 4.0903 5.5572 5.5572 5.7844 5.7844 5.9454 5.9454 11.1943 11.1943 11.5319 11.5319 12.3666 12.3666 14.2628 14.2628 15.4318 15.4318 16.8521 16.8521 17.6795 17.6795 18.9573 18.9573 k =-0.5000 0.1926 0.0215 ( 1208 PWs) bands (ev): -10.6284 -10.6284 -9.3583 -9.3583 -7.5841 -7.5841 -5.4021 -5.4021 -0.7411 -0.7411 -0.1326 -0.1326 4.0869 4.0869 5.5675 5.5675 5.7901 5.7901 5.9519 5.9519 11.2186 11.2186 11.5463 11.5463 12.3599 12.3599 14.2662 14.2662 15.4156 15.4156 16.8452 16.8452 17.6602 17.6602 18.9549 18.9549 k =-0.5000 0.1926 0.0108 ( 1208 PWs) bands (ev): -10.6307 -10.6307 -9.3585 -9.3585 -7.5818 -7.5818 -5.3923 -5.3923 -0.7548 -0.7548 -0.1408 -0.1408 4.0849 4.0849 5.5737 5.5737 5.7936 5.7936 5.9558 5.9558 11.2334 11.2334 11.5550 11.5550 12.3559 12.3559 14.2682 14.2682 15.4056 15.4056 16.8410 16.8410 17.6487 17.6487 18.9535 18.9535 k =-0.5000 0.1926 0.0000 ( 1208 PWs) bands (ev): -10.6314 -10.6314 -9.3585 -9.3585 -7.5810 -7.5810 -5.3891 -5.3891 -0.7594 -0.7594 -0.1436 -0.1436 4.0842 4.0842 5.5757 5.5757 5.7947 5.7947 5.9571 5.9571 11.2384 11.2384 11.5580 11.5580 12.3546 12.3546 14.2689 14.2689 15.4022 15.4022 16.8396 16.8396 17.6448 17.6448 18.9530 18.9530 k = 0.0000 0.0000 0.3764 ( 1174 PWs) bands (ev): -11.3395 -11.3395 -11.3395 -11.3395 -2.6793 -2.6793 -2.6793 -2.6793 -0.8723 -0.8723 -0.8723 -0.8723 3.2197 3.2197 3.2197 3.2197 5.7228 5.7228 5.7228 5.7228 9.5334 9.5334 9.5334 9.5334 10.9285 10.9285 10.9285 10.9285 15.7365 15.7365 15.7365 15.7365 18.8876 18.8876 18.8876 18.8876 k =-0.0102 0.0039 0.3764 ( 1174 PWs) bands (ev): -11.3385 -11.3385 -11.3385 -11.3385 -2.6897 -2.6897 -2.6897 -2.6897 -0.8637 -0.8637 -0.8637 -0.8637 3.2220 3.2220 3.2222 3.2222 5.7216 5.7216 5.7216 5.7216 9.5318 9.5318 9.5319 9.5319 10.9311 10.9311 10.9311 10.9311 15.7388 15.7388 15.7388 15.7388 18.8874 18.8874 18.8874 18.8874 k =-0.0204 0.0079 0.3764 ( 1178 PWs) bands (ev): -11.3357 -11.3357 -11.3357 -11.3357 -2.7204 -2.7204 -2.7204 -2.7204 -0.8385 -0.8385 -0.8384 -0.8384 3.2290 3.2290 3.2293 3.2293 5.7179 5.7179 5.7179 5.7179 9.5272 9.5272 9.5274 9.5274 10.9386 10.9386 10.9386 10.9386 15.7458 15.7458 15.7458 15.7458 18.8869 18.8869 18.8870 18.8870 k =-0.0306 0.0118 0.3764 ( 1178 PWs) bands (ev): -11.3309 -11.3309 -11.3309 -11.3309 -2.7696 -2.7696 -2.7696 -2.7696 -0.7983 -0.7983 -0.7981 -0.7981 3.2408 3.2408 3.2411 3.2411 5.7120 5.7120 5.7120 5.7120 9.5196 9.5196 9.5199 9.5199 10.9512 10.9512 10.9512 10.9512 15.7574 15.7574 15.7574 15.7574 18.8861 18.8861 18.8862 18.8862 k =-0.0408 0.0157 0.3764 ( 1178 PWs) bands (ev): -11.3242 -11.3242 -11.3242 -11.3242 -2.8350 -2.8350 -2.8350 -2.8350 -0.7456 -0.7456 -0.7453 -0.7453 3.2571 3.2571 3.2575 3.2575 5.7037 5.7037 5.7037 5.7037 9.5092 9.5092 9.5096 9.5096 10.9688 10.9688 10.9688 10.9688 15.7735 15.7735 15.7735 15.7735 18.8851 18.8851 18.8852 18.8852 k =-0.0510 0.0197 0.3764 ( 1182 PWs) bands (ev): -11.3157 -11.3157 -11.3157 -11.3157 -2.9140 -2.9140 -2.9140 -2.9140 -0.6828 -0.6828 -0.6825 -0.6825 3.2779 3.2779 3.2784 3.2784 5.6931 5.6931 5.6931 5.6931 9.4962 9.4962 9.4967 9.4967 10.9912 10.9912 10.9912 10.9912 15.7938 15.7938 15.7938 15.7938 18.8839 18.8839 18.8840 18.8840 k =-0.0612 0.0236 0.3764 ( 1190 PWs) bands (ev): -11.3052 -11.3052 -11.3052 -11.3052 -3.0041 -3.0041 -3.0041 -3.0041 -0.6125 -0.6125 -0.6121 -0.6121 3.3030 3.3030 3.3037 3.3037 5.6804 5.6804 5.6804 5.6804 9.4806 9.4806 9.4812 9.4812 11.0184 11.0184 11.0184 11.0184 15.8181 15.8181 15.8182 15.8182 18.8825 18.8825 18.8827 18.8827 k =-0.0714 0.0275 0.3764 ( 1192 PWs) bands (ev): -11.2929 -11.2929 -11.2929 -11.2929 -3.1032 -3.1032 -3.1032 -3.1032 -0.5366 -0.5366 -0.5362 -0.5362 3.3324 3.3324 3.3332 3.3332 5.6656 5.6656 5.6656 5.6656 9.4630 9.4630 9.4637 9.4637 11.0503 11.0503 11.0503 11.0503 15.8463 15.8463 15.8464 15.8464 18.8813 18.8813 18.8815 18.8815 k =-0.0816 0.0314 0.3764 ( 1188 PWs) bands (ev): -11.2786 -11.2786 -11.2786 -11.2786 -3.2095 -3.2095 -3.2095 -3.2095 -0.4569 -0.4569 -0.4565 -0.4565 3.3659 3.3659 3.3668 3.3668 5.6490 5.6490 5.6490 5.6490 9.4436 9.4436 9.4444 9.4444 11.0867 11.0867 11.0867 11.0867 15.8781 15.8781 15.8782 15.8782 18.8802 18.8802 18.8805 18.8805 k =-0.0918 0.0354 0.3764 ( 1188 PWs) bands (ev): -11.2625 -11.2625 -11.2625 -11.2625 -3.3216 -3.3216 -3.3215 -3.3215 -0.3749 -0.3749 -0.3745 -0.3745 3.4032 3.4032 3.4042 3.4042 5.6304 5.6304 5.6304 5.6304 9.4226 9.4226 9.4235 9.4235 11.1273 11.1273 11.1273 11.1273 15.9130 15.9130 15.9131 15.9131 18.8795 18.8795 18.8798 18.8798 k =-0.1020 0.0393 0.3764 ( 1188 PWs) bands (ev): -11.2446 -11.2446 -11.2446 -11.2446 -3.4381 -3.4381 -3.4381 -3.4381 -0.2916 -0.2916 -0.2911 -0.2911 3.4440 3.4440 3.4451 3.4451 5.6103 5.6103 5.6103 5.6103 9.4005 9.4005 9.4014 9.4014 11.1721 11.1721 11.1721 11.1721 15.9507 15.9507 15.9508 15.9508 18.8791 18.8791 18.8795 18.8795 k =-0.1122 0.0432 0.3764 ( 1188 PWs) bands (ev): -11.2248 -11.2248 -11.2248 -11.2248 -3.5583 -3.5583 -3.5582 -3.5582 -0.2080 -0.2080 -0.2074 -0.2074 3.4881 3.4881 3.4893 3.4893 5.5885 5.5885 5.5885 5.5885 9.3776 9.3776 9.3786 9.3786 11.2207 11.2207 11.2207 11.2207 15.9909 15.9909 15.9910 15.9910 18.8795 18.8795 18.8799 18.8799 k =-0.1224 0.0472 0.3764 ( 1188 PWs) bands (ev): -11.2032 -11.2032 -11.2032 -11.2032 -3.6812 -3.6812 -3.6812 -3.6812 -0.1245 -0.1245 -0.1240 -0.1240 3.5350 3.5350 3.5363 3.5363 5.5655 5.5655 5.5655 5.5655 9.3543 9.3543 9.3555 9.3555 11.2731 11.2731 11.2731 11.2731 16.0331 16.0331 16.0332 16.0332 18.8806 18.8806 18.8811 18.8811 k =-0.1327 0.0511 0.3764 ( 1192 PWs) bands (ev): -11.1798 -11.1798 -11.1798 -11.1798 -3.8063 -3.8063 -3.8063 -3.8063 -0.0419 -0.0419 -0.0413 -0.0413 3.5844 3.5844 3.5858 3.5858 5.5411 5.5411 5.5411 5.5411 9.3312 9.3312 9.3324 9.3324 11.3289 11.3289 11.3289 11.3289 16.0769 16.0769 16.0770 16.0770 18.8827 18.8827 18.8832 18.8832 k =-0.1429 0.0550 0.3764 ( 1194 PWs) bands (ev): -11.1546 -11.1546 -11.1546 -11.1546 -3.9330 -3.9330 -3.9330 -3.9330 0.0396 0.0396 0.0402 0.0402 3.6359 3.6359 3.6374 3.6374 5.5157 5.5157 5.5157 5.5157 9.3086 9.3086 9.3099 9.3099 11.3881 11.3881 11.3881 11.3881 16.1219 16.1219 16.1221 16.1221 18.8861 18.8861 18.8867 18.8867 k =-0.1531 0.0590 0.3764 ( 1194 PWs) bands (ev): -11.1276 -11.1276 -11.1276 -11.1276 -4.0608 -4.0608 -4.0608 -4.0608 0.1197 0.1197 0.1203 0.1203 3.6891 3.6891 3.6906 3.6906 5.4894 5.4894 5.4894 5.4894 9.2869 9.2869 9.2883 9.2883 11.4503 11.4503 11.4503 11.4503 16.1676 16.1676 16.1678 16.1678 18.8909 18.8909 18.8915 18.8915 k =-0.1633 0.0629 0.3764 ( 1198 PWs) bands (ev): -11.0989 -11.0989 -11.0989 -11.0989 -4.1894 -4.1894 -4.1894 -4.1894 0.1981 0.1981 0.1988 0.1988 3.7433 3.7433 3.7450 3.7450 5.4623 5.4623 5.4623 5.4623 9.2667 9.2667 9.2682 9.2682 11.5153 11.5153 11.5153 11.5153 16.2135 16.2135 16.2138 16.2138 18.8973 18.8973 18.8979 18.8979 k =-0.1735 0.0668 0.3764 ( 1202 PWs) bands (ev): -11.0685 -11.0685 -11.0685 -11.0685 -4.3185 -4.3185 -4.3185 -4.3185 0.2748 0.2748 0.2755 0.2755 3.7981 3.7981 3.7999 3.7999 5.4346 5.4346 5.4346 5.4346 9.2484 9.2484 9.2499 9.2499 11.5829 11.5829 11.5829 11.5829 16.2593 16.2593 16.2595 16.2595 18.9054 18.9054 18.9061 18.9061 k =-0.1837 0.0707 0.3764 ( 1200 PWs) bands (ev): -11.0365 -11.0365 -11.0364 -11.0364 -4.4476 -4.4476 -4.4476 -4.4476 0.3496 0.3496 0.3503 0.3503 3.8531 3.8531 3.8550 3.8550 5.4064 5.4064 5.4064 5.4064 9.2324 9.2324 9.2340 9.2340 11.6528 11.6528 11.6529 11.6529 16.3046 16.3046 16.3048 16.3048 18.9156 18.9156 18.9164 18.9164 k =-0.1939 0.0747 0.3764 ( 1200 PWs) bands (ev): -11.0027 -11.0027 -11.0027 -11.0027 -4.5767 -4.5767 -4.5767 -4.5767 0.4225 0.4225 0.4233 0.4233 3.9077 3.9077 3.9096 3.9096 5.3779 5.3779 5.3779 5.3779 9.2192 9.2192 9.2209 9.2209 11.7249 11.7249 11.7249 11.7249 16.3487 16.3487 16.3490 16.3490 18.9280 18.9280 18.9288 18.9288 k =-0.2041 0.0786 0.3764 ( 1200 PWs) bands (ev): -10.9674 -10.9674 -10.9674 -10.9674 -4.7054 -4.7054 -4.7054 -4.7054 0.4936 0.4936 0.4943 0.4943 3.9613 3.9613 3.9632 3.9632 5.3492 5.3492 5.3492 5.3492 9.2092 9.2092 9.2109 9.2109 11.7987 11.7987 11.7987 11.7987 16.3915 16.3915 16.3918 16.3918 18.9426 18.9426 18.9434 18.9434 k =-0.2143 0.0825 0.3764 ( 1204 PWs) bands (ev): -10.9306 -10.9306 -10.9306 -10.9306 -4.8335 -4.8335 -4.8335 -4.8335 0.5627 0.5627 0.5635 0.5635 4.0133 4.0133 4.0154 4.0154 5.3204 5.3204 5.3204 5.3204 9.2026 9.2026 9.2044 9.2044 11.8741 11.8741 11.8741 11.8741 16.4326 16.4326 16.4329 16.4329 18.9595 18.9595 18.9605 18.9605 k =-0.2245 0.0865 0.3764 ( 1212 PWs) bands (ev): -10.8922 -10.8922 -10.8922 -10.8922 -4.9609 -4.9609 -4.9609 -4.9609 0.6299 0.6299 0.6307 0.6307 4.0634 4.0634 4.0655 4.0655 5.2917 5.2917 5.2917 5.2917 9.2000 9.2000 9.2018 9.2018 11.9508 11.9508 11.9508 11.9508 16.4714 16.4714 16.4718 16.4718 18.9789 18.9789 18.9799 18.9799 k =-0.2347 0.0904 0.3764 ( 1216 PWs) bands (ev): -10.8525 -10.8525 -10.8524 -10.8524 -5.0872 -5.0872 -5.0872 -5.0872 0.6953 0.6953 0.6961 0.6961 4.1110 4.1110 4.1131 4.1131 5.2631 5.2631 5.2631 5.2631 9.2016 9.2016 9.2034 9.2034 12.0286 12.0286 12.0286 12.0286 16.5080 16.5080 16.5083 16.5083 19.0008 19.0008 19.0018 19.0018 k =-0.2449 0.0943 0.3764 ( 1216 PWs) bands (ev): -10.8113 -10.8113 -10.8113 -10.8113 -5.2124 -5.2124 -5.2124 -5.2124 0.7590 0.7590 0.7598 0.7598 4.1558 4.1558 4.1579 4.1579 5.2348 5.2348 5.2348 5.2348 9.2075 9.2075 9.2094 9.2094 12.1072 12.1072 12.1072 12.1072 16.5419 16.5419 16.5423 16.5423 19.0250 19.0250 19.0261 19.0261 k =-0.2551 0.0983 0.3764 ( 1216 PWs) bands (ev): -10.7688 -10.7688 -10.7688 -10.7688 -5.3362 -5.3362 -5.3362 -5.3362 0.8208 0.8208 0.8216 0.8216 4.1973 4.1973 4.1994 4.1994 5.2069 5.2069 5.2069 5.2069 9.2181 9.2181 9.2199 9.2199 12.1863 12.1863 12.1863 12.1863 16.5730 16.5730 16.5734 16.5734 19.0516 19.0516 19.0528 19.0528 k =-0.2653 0.1022 0.3764 ( 1216 PWs) bands (ev): -10.7251 -10.7251 -10.7251 -10.7251 -5.4585 -5.4585 -5.4585 -5.4585 0.8809 0.8809 0.8817 0.8817 4.2352 4.2352 4.2373 4.2373 5.1795 5.1795 5.1795 5.1795 9.2332 9.2332 9.2351 9.2351 12.2657 12.2657 12.2657 12.2657 16.6012 16.6012 16.6016 16.6016 19.0804 19.0804 19.0816 19.0816 k =-0.2755 0.1061 0.3764 ( 1216 PWs) bands (ev): -10.6802 -10.6802 -10.6802 -10.6802 -5.5792 -5.5792 -5.5791 -5.5791 0.9393 0.9393 0.9401 0.9401 4.2693 4.2693 4.2715 4.2715 5.1527 5.1527 5.1527 5.1527 9.2530 9.2530 9.2549 9.2549 12.3450 12.3450 12.3450 12.3450 16.6264 16.6264 16.6268 16.6268 19.1110 19.1110 19.1123 19.1123 k =-0.2857 0.1101 0.3764 ( 1216 PWs) bands (ev): -10.6343 -10.6343 -10.6343 -10.6343 -5.6979 -5.6979 -5.6978 -5.6978 0.9960 0.9960 0.9968 0.9968 4.2995 4.2995 4.3016 4.3016 5.1265 5.1265 5.1265 5.1265 9.2773 9.2773 9.2792 9.2792 12.4240 12.4240 12.4240 12.4240 16.6485 16.6485 16.6489 16.6489 19.1432 19.1432 19.1446 19.1446 k =-0.2959 0.1140 0.3764 ( 1212 PWs) bands (ev): -10.5875 -10.5875 -10.5875 -10.5875 -5.8145 -5.8145 -5.8145 -5.8145 1.0510 1.0510 1.0518 1.0518 4.3257 4.3257 4.3278 4.3278 5.1010 5.1010 5.1011 5.1011 9.3061 9.3061 9.3079 9.3079 12.5024 12.5024 12.5025 12.5025 16.6676 16.6676 16.6680 16.6680 19.1768 19.1768 19.1782 19.1782 k =-0.3061 0.1179 0.3764 ( 1216 PWs) bands (ev): -10.5400 -10.5400 -10.5399 -10.5399 -5.9289 -5.9289 -5.9289 -5.9289 1.1042 1.1042 1.1050 1.1050 4.3477 4.3477 4.3497 4.3497 5.0764 5.0764 5.0764 5.0764 9.3389 9.3389 9.3407 9.3407 12.5801 12.5801 12.5801 12.5801 16.6837 16.6837 16.6842 16.6842 19.2111 19.2111 19.2126 19.2126 k =-0.3163 0.1218 0.3764 ( 1216 PWs) bands (ev): -10.4917 -10.4917 -10.4917 -10.4917 -6.0408 -6.0408 -6.0408 -6.0408 1.1557 1.1557 1.1565 1.1565 4.3657 4.3657 4.3677 4.3677 5.0527 5.0527 5.0527 5.0527 9.3755 9.3755 9.3773 9.3773 12.6564 12.6564 12.6564 12.6564 16.6970 16.6970 16.6974 16.6974 19.2459 19.2459 19.2474 19.2474 k =-0.3265 0.1258 0.3764 ( 1218 PWs) bands (ev): -10.4430 -10.4430 -10.4430 -10.4430 -6.1500 -6.1500 -6.1500 -6.1500 1.2055 1.2055 1.2062 1.2062 4.3799 4.3799 4.3818 4.3818 5.0299 5.0299 5.0299 5.0299 9.4154 9.4154 9.4172 9.4172 12.7312 12.7312 12.7312 12.7312 16.7076 16.7076 16.7080 16.7080 19.2805 19.2805 19.2821 19.2821 k =-0.3367 0.1297 0.3764 ( 1218 PWs) bands (ev): -10.3941 -10.3941 -10.3940 -10.3940 -6.2563 -6.2563 -6.2562 -6.2562 1.2534 1.2534 1.2541 1.2541 4.3904 4.3904 4.3923 4.3923 5.0081 5.0081 5.0081 5.0081 9.4582 9.4582 9.4599 9.4599 12.8041 12.8041 12.8041 12.8041 16.7157 16.7157 16.7161 16.7161 19.3146 19.3146 19.3162 19.3162 k =-0.3469 0.1336 0.3764 ( 1212 PWs) bands (ev): -10.3450 -10.3450 -10.3450 -10.3450 -6.3593 -6.3593 -6.3593 -6.3593 1.2994 1.2994 1.3001 1.3001 4.3977 4.3977 4.3995 4.3995 4.9874 4.9874 4.9874 4.9874 9.5034 9.5034 9.5050 9.5050 12.8749 12.8749 12.8750 12.8750 16.7215 16.7215 16.7219 16.7219 19.3476 19.3476 19.3493 19.3493 k =-0.3571 0.1376 0.3764 ( 1208 PWs) bands (ev): -10.2961 -10.2961 -10.2961 -10.2961 -6.4588 -6.4588 -6.4588 -6.4588 1.3433 1.3433 1.3440 1.3440 4.4019 4.4019 4.4036 4.4036 4.9678 4.9678 4.9678 4.9678 9.5502 9.5502 9.5517 9.5517 12.9433 12.9433 12.9434 12.9434 16.7251 16.7251 16.7255 16.7255 19.3789 19.3789 19.3806 19.3806 k =-0.3673 0.1415 0.3764 ( 1212 PWs) bands (ev): -10.2477 -10.2477 -10.2477 -10.2477 -6.5546 -6.5546 -6.5546 -6.5546 1.3852 1.3852 1.3858 1.3858 4.4032 4.4032 4.4049 4.4049 4.9493 4.9493 4.9493 4.9493 9.5979 9.5979 9.5994 9.5994 13.0088 13.0088 13.0088 13.0088 16.7269 16.7269 16.7272 16.7272 19.4081 19.4081 19.4099 19.4099 k =-0.3776 0.1454 0.3764 ( 1210 PWs) bands (ev): -10.2001 -10.2001 -10.2001 -10.2001 -6.6462 -6.6462 -6.6462 -6.6462 1.4249 1.4249 1.4255 1.4255 4.4023 4.4023 4.4039 4.4039 4.9321 4.9321 4.9321 4.9321 9.6460 9.6460 9.6474 9.6474 13.0711 13.0711 13.0711 13.0711 16.7270 16.7270 16.7274 16.7274 19.4348 19.4348 19.4366 19.4366 k =-0.3878 0.1494 0.3764 ( 1210 PWs) bands (ev): -10.1536 -10.1536 -10.1536 -10.1536 -6.7332 -6.7332 -6.7332 -6.7332 1.4622 1.4622 1.4627 1.4627 4.3995 4.3995 4.4009 4.4009 4.9161 4.9161 4.9161 4.9161 9.6937 9.6937 9.6950 9.6950 13.1300 13.1300 13.1300 13.1300 16.7258 16.7258 16.7262 16.7262 19.4586 19.4586 19.4603 19.4603 k =-0.3980 0.1533 0.3764 ( 1218 PWs) bands (ev): -10.1086 -10.1086 -10.1086 -10.1086 -6.8153 -6.8153 -6.8153 -6.8153 1.4969 1.4969 1.4974 1.4974 4.3949 4.3949 4.3963 4.3963 4.9013 4.9013 4.9013 4.9013 9.7402 9.7402 9.7413 9.7413 13.1850 13.1850 13.1850 13.1850 16.7235 16.7235 16.7238 16.7238 19.4792 19.4792 19.4809 19.4809 k =-0.4082 0.1572 0.3764 ( 1224 PWs) bands (ev): -10.0656 -10.0656 -10.0656 -10.0656 -6.8920 -6.8920 -6.8920 -6.8920 1.5290 1.5290 1.5295 1.5295 4.3894 4.3894 4.3906 4.3906 4.8878 4.8878 4.8878 4.8878 9.7849 9.7849 9.7859 9.7859 13.2360 13.2360 13.2360 13.2360 16.7203 16.7203 16.7206 16.7206 19.4966 19.4966 19.4982 19.4982 k =-0.4184 0.1612 0.3764 ( 1222 PWs) bands (ev): -10.0250 -10.0250 -10.0250 -10.0250 -6.9628 -6.9628 -6.9627 -6.9627 1.5583 1.5583 1.5588 1.5588 4.3833 4.3833 4.3844 4.3844 4.8758 4.8758 4.8758 4.8758 9.8271 9.8271 9.8281 9.8281 13.2825 13.2825 13.2826 13.2826 16.7166 16.7166 16.7169 16.7169 19.5107 19.5107 19.5122 19.5122 k =-0.4286 0.1651 0.3764 ( 1218 PWs) bands (ev): -9.9874 -9.9874 -9.9874 -9.9874 -7.0270 -7.0270 -7.0270 -7.0270 1.5848 1.5848 1.5852 1.5852 4.3768 4.3768 4.3778 4.3778 4.8651 4.8651 4.8651 4.8651 9.8661 9.8661 9.8670 9.8670 13.3244 13.3244 13.3244 13.3244 16.7126 16.7126 16.7128 16.7128 19.5219 19.5219 19.5233 19.5233 k =-0.4388 0.1690 0.3764 ( 1218 PWs) bands (ev): -9.9532 -9.9532 -9.9532 -9.9532 -7.0843 -7.0843 -7.0843 -7.0843 1.6080 1.6080 1.6084 1.6084 4.3703 4.3703 4.3712 4.3712 4.8557 4.8557 4.8557 4.8557 9.9014 9.9014 9.9021 9.9021 13.3613 13.3613 13.3613 13.3613 16.7085 16.7085 16.7087 16.7087 19.5303 19.5303 19.5315 19.5315 k =-0.4490 0.1729 0.3764 ( 1218 PWs) bands (ev): -9.9231 -9.9231 -9.9231 -9.9231 -7.1341 -7.1341 -7.1340 -7.1340 1.6280 1.6280 1.6283 1.6283 4.3643 4.3643 4.3650 4.3650 4.8478 4.8478 4.8478 4.8478 9.9322 9.9322 9.9328 9.9328 13.3930 13.3930 13.3930 13.3930 16.7046 16.7046 16.7048 16.7048 19.5363 19.5363 19.5374 19.5374 k =-0.4592 0.1769 0.3764 ( 1222 PWs) bands (ev): -9.8976 -9.8976 -9.8975 -9.8975 -7.1757 -7.1757 -7.1757 -7.1757 1.6445 1.6445 1.6447 1.6447 4.3589 4.3589 4.3594 4.3594 4.8413 4.8413 4.8413 4.8413 9.9582 9.9582 9.9587 9.9587 13.4192 13.4192 13.4192 13.4192 16.7011 16.7011 16.7012 16.7012 19.5403 19.5403 19.5412 19.5412 k =-0.4694 0.1808 0.3764 ( 1218 PWs) bands (ev): -9.8771 -9.8771 -9.8771 -9.8771 -7.2086 -7.2086 -7.2086 -7.2086 1.6575 1.6575 1.6577 1.6577 4.3545 4.3545 4.3549 4.3549 4.8362 4.8362 4.8363 4.8363 9.9789 9.9789 9.9793 9.9793 13.4398 13.4398 13.4398 13.4398 16.6982 16.6982 16.6983 16.6983 19.5430 19.5430 19.5437 19.5437 k =-0.4796 0.1847 0.3764 ( 1218 PWs) bands (ev): -9.8621 -9.8621 -9.8621 -9.8621 -7.2326 -7.2326 -7.2325 -7.2325 1.6669 1.6669 1.6670 1.6670 4.3512 4.3512 4.3515 4.3515 4.8326 4.8326 4.8326 4.8326 9.9940 9.9940 9.9942 9.9942 13.4546 13.4546 13.4546 13.4546 16.6960 16.6960 16.6961 16.6961 19.5446 19.5446 19.5451 19.5451 k =-0.4898 0.1887 0.3764 ( 1220 PWs) bands (ev): -9.8529 -9.8529 -9.8529 -9.8529 -7.2470 -7.2470 -7.2470 -7.2470 1.6725 1.6725 1.6726 1.6726 4.3491 4.3491 4.3493 4.3493 4.8304 4.8304 4.8304 4.8304 10.0031 10.0031 10.0033 10.0033 13.4636 13.4636 13.4636 13.4636 16.6947 16.6947 16.6947 16.6947 19.5455 19.5455 19.5458 19.5458 k =-0.5000 0.1926 0.3764 ( 1224 PWs) bands (ev): -9.8499 -9.8499 -9.8499 -9.8499 -7.2519 -7.2519 -7.2519 -7.2519 1.6744 1.6744 1.6744 1.6744 4.3485 4.3485 4.3485 4.3485 4.8296 4.8296 4.8296 4.8296 10.0062 10.0062 10.0062 10.0062 13.4665 13.4665 13.4665 13.4665 16.6942 16.6942 16.6942 16.6942 19.5459 19.5459 19.5459 19.5459 Writing output data file CN2.save init_run : 0.10s CPU 0.32s WALL ( 1 calls) electrons : 143.25s CPU 144.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 143.25s CPU 144.69s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 558 calls) cegterg : 133.75s CPU 135.03s WALL ( 1053 calls) Called by sum_band: Called by *egterg: h_psi : 74.57s CPU 81.78s WALL ( 15705 calls) s_psi : 3.79s CPU 3.93s WALL ( 15705 calls) g_psi : 0.16s CPU 0.16s WALL ( 14094 calls) cdiaghg : 47.06s CPU 47.27s WALL ( 14652 calls) cegterg:over : 3.98s CPU 3.90s WALL ( 14094 calls) cegterg:upda : 0.89s CPU 1.01s WALL ( 14094 calls) cegterg:last : 0.76s CPU 0.75s WALL ( 2727 calls) Called by h_psi: h_psi:vloc : 69.55s CPU 76.56s WALL ( 15705 calls) h_psi:vnl : 5.00s CPU 5.13s WALL ( 15705 calls) add_vuspsi : 2.41s CPU 2.44s WALL ( 15705 calls) General routines calbec : 2.57s CPU 2.66s WALL ( 15705 calls) fft : 0.01s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.72s CPU 72.93s WALL ( 1185692 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.02s CPU 0.10s WALL ( 1116 calls) Parallel routines fft_scatter : 40.99s CPU 42.49s WALL ( 1185715 calls) PWSCF : 2m40.34s CPU 2m45.30s WALL This run was terminated on: 16:38:27 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=