Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:32:30 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./CsAuS.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 74 20 5450 3556 520 Max 99 75 21 5455 3587 525 Sum 3551 2685 741 196277 128615 18805 bravais-lattice index = 14 lattice parameter (alat) = 10.3652 a.u. unit-cell volume = 1331.0449 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.365228 celldm(2)= 1.000000 celldm(3)= 1.217493 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.190306 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.190306 0.981725 0.000000 ) a(3) = ( 0.000000 0.000000 1.217493 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.193849 -0.000000 ) b(2) = ( 0.000000 1.018615 -0.000000 ) b(3) = ( 0.000000 0.000000 0.821360 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Au 11.00 196.96660 Au( 1.00) Cs 9.00 132.90550 Cs( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 ) ( 0.6087464 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6087464 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 326 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0110542 0.0134028 -0.0000000), wk = 0.0030675 k( 3) = ( 0.0221084 0.0268057 -0.0000000), wk = 0.0030675 k( 4) = ( 0.0331626 0.0402085 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0442168 0.0536113 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0552711 0.0670142 -0.0000000), wk = 0.0030675 k( 7) = ( 0.0663253 0.0804170 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0773795 0.0938198 -0.0000000), wk = 0.0030675 k( 9) = ( 0.0884337 0.1072227 -0.0000000), wk = 0.0030675 k( 10) = ( 0.0994879 0.1206255 -0.0000000), wk = 0.0030675 k( 11) = ( 0.1105421 0.1340283 -0.0000000), wk = 0.0030675 k( 12) = ( 0.1215963 0.1474312 -0.0000000), wk = 0.0030675 k( 13) = ( 0.1326505 0.1608340 -0.0000000), wk = 0.0030675 k( 14) = ( 0.1437047 0.1742369 -0.0000000), wk = 0.0030675 k( 15) = ( 0.1547590 0.1876397 -0.0000000), wk = 0.0030675 k( 16) = ( 0.1658132 0.2010425 -0.0000000), wk = 0.0030675 k( 17) = ( 0.1768674 0.2144454 -0.0000000), wk = 0.0030675 k( 18) = ( 0.1879216 0.2278482 -0.0000000), wk = 0.0030675 k( 19) = ( 0.1989758 0.2412510 -0.0000000), wk = 0.0030675 k( 20) = ( 0.2100300 0.2546539 -0.0000000), wk = 0.0030675 k( 21) = ( 0.2210842 0.2680567 -0.0000000), wk = 0.0030675 k( 22) = ( 0.2321384 0.2814595 -0.0000000), wk = 0.0030675 k( 23) = ( 0.2431926 0.2948624 -0.0000000), wk = 0.0030675 k( 24) = ( 0.2542468 0.3082652 -0.0000000), wk = 0.0030675 k( 25) = ( 0.2653010 0.3216680 -0.0000000), wk = 0.0030675 k( 26) = ( 0.2763553 0.3350709 -0.0000000), wk = 0.0030675 k( 27) = ( 0.2874095 0.3484737 -0.0000000), wk = 0.0030675 k( 28) = ( 0.2984637 0.3618765 -0.0000000), wk = 0.0030675 k( 29) = ( 0.3095179 0.3752794 -0.0000000), wk = 0.0030675 k( 30) = ( 0.3205721 0.3886822 -0.0000000), wk = 0.0030675 k( 31) = ( 0.3316263 0.4020850 -0.0000000), wk = 0.0030675 k( 32) = ( 0.3426805 0.4154879 -0.0000000), wk = 0.0030675 k( 33) = ( 0.3537347 0.4288907 -0.0000000), wk = 0.0030675 k( 34) = ( 0.3647890 0.4422935 -0.0000000), wk = 0.0030675 k( 35) = ( 0.3758432 0.4556964 -0.0000000), wk = 0.0030675 k( 36) = ( 0.3868974 0.4690992 -0.0000000), wk = 0.0030675 k( 37) = ( 0.3979516 0.4825020 -0.0000000), wk = 0.0030675 k( 38) = ( 0.4090058 0.4959049 -0.0000000), wk = 0.0030675 k( 39) = ( 0.4200600 0.5093077 -0.0000000), wk = 0.0030675 k( 40) = ( 0.4200600 0.5093077 -0.0000000), wk = 0.0030675 k( 41) = ( 0.4032576 0.5093077 -0.0000000), wk = 0.0030675 k( 42) = ( 0.3864552 0.5093077 -0.0000000), wk = 0.0030675 k( 43) = ( 0.3696528 0.5093077 -0.0000000), wk = 0.0030675 k( 44) = ( 0.3528504 0.5093077 -0.0000000), wk = 0.0030675 k( 45) = ( 0.3360480 0.5093077 -0.0000000), wk = 0.0030675 k( 46) = ( 0.3192456 0.5093077 -0.0000000), wk = 0.0030675 k( 47) = ( 0.3024432 0.5093077 -0.0000000), wk = 0.0030675 k( 48) = ( 0.2856408 0.5093077 -0.0000000), wk = 0.0030675 k( 49) = ( 0.2688384 0.5093077 -0.0000000), wk = 0.0030675 k( 50) = ( 0.2520360 0.5093077 -0.0000000), wk = 0.0030675 k( 51) = ( 0.2352336 0.5093077 -0.0000000), wk = 0.0030675 k( 52) = ( 0.2184312 0.5093077 -0.0000000), wk = 0.0030675 k( 53) = ( 0.2016288 0.5093077 -0.0000000), wk = 0.0030675 k( 54) = ( 0.1848264 0.5093077 -0.0000000), wk = 0.0030675 k( 55) = ( 0.1680240 0.5093077 -0.0000000), wk = 0.0030675 k( 56) = ( 0.1512216 0.5093077 -0.0000000), wk = 0.0030675 k( 57) = ( 0.1344192 0.5093077 -0.0000000), wk = 0.0030675 k( 58) = ( 0.1176168 0.5093077 -0.0000000), wk = 0.0030675 k( 59) = ( 0.1008144 0.5093077 -0.0000000), wk = 0.0030675 k( 60) = ( 0.0840120 0.5093077 -0.0000000), wk = 0.0030675 k( 61) = ( 0.0672096 0.5093077 -0.0000000), wk = 0.0030675 k( 62) = ( 0.0504072 0.5093077 -0.0000000), wk = 0.0030675 k( 63) = ( 0.0336048 0.5093077 -0.0000000), wk = 0.0030675 k( 64) = ( 0.0168024 0.5093077 -0.0000000), wk = 0.0030675 k( 65) = ( 0.0000000 0.5093077 -0.0000000), wk = 0.0030675 k( 66) = ( 0.0000000 0.5093077 -0.0000000), wk = 0.0030675 k( 67) = ( 0.0000000 0.5093077 0.0171117), wk = 0.0030675 k( 68) = ( 0.0000000 0.5093077 0.0342233), wk = 0.0030675 k( 69) = ( 0.0000000 0.5093077 0.0513350), wk = 0.0030675 k( 70) = ( 0.0000000 0.5093077 0.0684467), wk = 0.0030675 k( 71) = ( 0.0000000 0.5093077 0.0855583), wk = 0.0030675 k( 72) = ( 0.0000000 0.5093077 0.1026700), wk = 0.0030675 k( 73) = ( 0.0000000 0.5093077 0.1197817), wk = 0.0030675 k( 74) = ( 0.0000000 0.5093077 0.1368933), wk = 0.0030675 k( 75) = ( 0.0000000 0.5093077 0.1540050), wk = 0.0030675 k( 76) = ( 0.0000000 0.5093077 0.1711167), wk = 0.0030675 k( 77) = ( 0.0000000 0.5093077 0.1882284), wk = 0.0030675 k( 78) = ( 0.0000000 0.5093077 0.2053400), wk = 0.0030675 k( 79) = ( 0.0000000 0.5093077 0.2224517), wk = 0.0030675 k( 80) = ( 0.0000000 0.5093077 0.2395634), wk = 0.0030675 k( 81) = ( 0.0000000 0.5093077 0.2566750), wk = 0.0030675 k( 82) = ( 0.0000000 0.5093077 0.2737867), wk = 0.0030675 k( 83) = ( 0.0000000 0.5093077 0.2908984), wk = 0.0030675 k( 84) = ( 0.0000000 0.5093077 0.3080100), wk = 0.0030675 k( 85) = ( 0.0000000 0.5093077 0.3251217), wk = 0.0030675 k( 86) = ( 0.0000000 0.5093077 0.3422334), wk = 0.0030675 k( 87) = ( 0.0000000 0.5093077 0.3593450), wk = 0.0030675 k( 88) = ( 0.0000000 0.5093077 0.3764567), wk = 0.0030675 k( 89) = ( 0.0000000 0.5093077 0.3935684), wk = 0.0030675 k( 90) = ( 0.0000000 0.5093077 0.4106800), wk = 0.0030675 k( 91) = ( 0.0000000 0.5093077 0.4106800), wk = 0.0030675 k( 92) = ( 0.0168024 0.5093077 0.4106800), wk = 0.0030675 k( 93) = ( 0.0336048 0.5093077 0.4106800), wk = 0.0030675 k( 94) = ( 0.0504072 0.5093077 0.4106800), wk = 0.0030675 k( 95) = ( 0.0672096 0.5093077 0.4106800), wk = 0.0030675 k( 96) = ( 0.0840120 0.5093077 0.4106800), wk = 0.0030675 k( 97) = ( 0.1008144 0.5093077 0.4106800), wk = 0.0030675 k( 98) = ( 0.1176168 0.5093077 0.4106800), wk = 0.0030675 k( 99) = ( 0.1344192 0.5093077 0.4106800), wk = 0.0030675 k( 100) = ( 0.1512216 0.5093077 0.4106800), wk = 0.0030675 k( 101) = ( 0.1680240 0.5093077 0.4106800), wk = 0.0030675 k( 102) = ( 0.1848264 0.5093077 0.4106800), wk = 0.0030675 k( 103) = ( 0.2016288 0.5093077 0.4106800), wk = 0.0030675 k( 104) = ( 0.2184312 0.5093077 0.4106800), wk = 0.0030675 k( 105) = ( 0.2352336 0.5093077 0.4106800), wk = 0.0030675 k( 106) = ( 0.2520360 0.5093077 0.4106800), wk = 0.0030675 k( 107) = ( 0.2688384 0.5093077 0.4106800), wk = 0.0030675 k( 108) = ( 0.2856408 0.5093077 0.4106800), wk = 0.0030675 k( 109) = ( 0.3024432 0.5093077 0.4106800), wk = 0.0030675 k( 110) = ( 0.3192456 0.5093077 0.4106800), wk = 0.0030675 k( 111) = ( 0.3360480 0.5093077 0.4106800), wk = 0.0030675 k( 112) = ( 0.3528504 0.5093077 0.4106800), wk = 0.0030675 k( 113) = ( 0.3696528 0.5093077 0.4106800), wk = 0.0030675 k( 114) = ( 0.3864552 0.5093077 0.4106800), wk = 0.0030675 k( 115) = ( 0.4032576 0.5093077 0.4106800), wk = 0.0030675 k( 116) = ( 0.4200600 0.5093077 0.4106800), wk = 0.0030675 k( 117) = ( 0.4200600 0.5093077 0.4106800), wk = 0.0030675 k( 118) = ( 0.4090058 0.4959049 0.4106800), wk = 0.0030675 k( 119) = ( 0.3979516 0.4825020 0.4106800), wk = 0.0030675 k( 120) = ( 0.3868974 0.4690992 0.4106800), wk = 0.0030675 k( 121) = ( 0.3758432 0.4556964 0.4106800), wk = 0.0030675 k( 122) = ( 0.3647890 0.4422935 0.4106800), wk = 0.0030675 k( 123) = ( 0.3537347 0.4288907 0.4106800), wk = 0.0030675 k( 124) = ( 0.3426805 0.4154879 0.4106800), wk = 0.0030675 k( 125) = ( 0.3316263 0.4020850 0.4106800), wk = 0.0030675 k( 126) = ( 0.3205721 0.3886822 0.4106800), wk = 0.0030675 k( 127) = ( 0.3095179 0.3752794 0.4106800), wk = 0.0030675 k( 128) = ( 0.2984637 0.3618765 0.4106800), wk = 0.0030675 k( 129) = ( 0.2874095 0.3484737 0.4106800), wk = 0.0030675 k( 130) = ( 0.2763553 0.3350709 0.4106800), wk = 0.0030675 k( 131) = ( 0.2653010 0.3216680 0.4106800), wk = 0.0030675 k( 132) = ( 0.2542468 0.3082652 0.4106800), wk = 0.0030675 k( 133) = ( 0.2431926 0.2948624 0.4106800), wk = 0.0030675 k( 134) = ( 0.2321384 0.2814595 0.4106800), wk = 0.0030675 k( 135) = ( 0.2210842 0.2680567 0.4106800), wk = 0.0030675 k( 136) = ( 0.2100300 0.2546539 0.4106800), wk = 0.0030675 k( 137) = ( 0.1989758 0.2412510 0.4106800), wk = 0.0030675 k( 138) = ( 0.1879216 0.2278482 0.4106800), wk = 0.0030675 k( 139) = ( 0.1768674 0.2144454 0.4106800), wk = 0.0030675 k( 140) = ( 0.1658132 0.2010425 0.4106800), wk = 0.0030675 k( 141) = ( 0.1547590 0.1876397 0.4106800), wk = 0.0030675 k( 142) = ( 0.1437047 0.1742369 0.4106800), wk = 0.0030675 k( 143) = ( 0.1326505 0.1608340 0.4106800), wk = 0.0030675 k( 144) = ( 0.1215963 0.1474312 0.4106800), wk = 0.0030675 k( 145) = ( 0.1105421 0.1340283 0.4106800), wk = 0.0030675 k( 146) = ( 0.0994879 0.1206255 0.4106800), wk = 0.0030675 k( 147) = ( 0.0884337 0.1072227 0.4106800), wk = 0.0030675 k( 148) = ( 0.0773795 0.0938198 0.4106800), wk = 0.0030675 k( 149) = ( 0.0663253 0.0804170 0.4106800), wk = 0.0030675 k( 150) = ( 0.0552711 0.0670142 0.4106800), wk = 0.0030675 k( 151) = ( 0.0442168 0.0536113 0.4106800), wk = 0.0030675 k( 152) = ( 0.0331626 0.0402085 0.4106800), wk = 0.0030675 k( 153) = ( 0.0221084 0.0268057 0.4106800), wk = 0.0030675 k( 154) = ( 0.0110542 0.0134028 0.4106800), wk = 0.0030675 k( 155) = ( 0.0000000 0.0000000 0.4106800), wk = 0.0030675 k( 156) = ( 0.0000000 0.0000000 0.4106800), wk = 0.0030675 k( 157) = ( 0.0000000 0.0000000 0.3935684), wk = 0.0030675 k( 158) = ( 0.0000000 0.0000000 0.3764567), wk = 0.0030675 k( 159) = ( 0.0000000 0.0000000 0.3593450), wk = 0.0030675 k( 160) = ( 0.0000000 0.0000000 0.3422334), wk = 0.0030675 k( 161) = ( 0.0000000 0.0000000 0.3251217), wk = 0.0030675 k( 162) = ( 0.0000000 0.0000000 0.3080100), wk = 0.0030675 k( 163) = ( 0.0000000 0.0000000 0.2908984), wk = 0.0030675 k( 164) = ( 0.0000000 0.0000000 0.2737867), wk = 0.0030675 k( 165) = ( 0.0000000 0.0000000 0.2566750), wk = 0.0030675 k( 166) = ( 0.0000000 0.0000000 0.2395634), wk = 0.0030675 k( 167) = ( 0.0000000 0.0000000 0.2224517), wk = 0.0030675 k( 168) = ( 0.0000000 0.0000000 0.2053400), wk = 0.0030675 k( 169) = ( 0.0000000 0.0000000 0.1882284), wk = 0.0030675 k( 170) = ( 0.0000000 0.0000000 0.1711167), wk = 0.0030675 k( 171) = ( 0.0000000 0.0000000 0.1540050), wk = 0.0030675 k( 172) = ( 0.0000000 0.0000000 0.1368933), wk = 0.0030675 k( 173) = ( 0.0000000 0.0000000 0.1197817), wk = 0.0030675 k( 174) = ( 0.0000000 0.0000000 0.1026700), wk = 0.0030675 k( 175) = ( 0.0000000 0.0000000 0.0855583), wk = 0.0030675 k( 176) = ( 0.0000000 0.0000000 0.0684467), wk = 0.0030675 k( 177) = ( 0.0000000 0.0000000 0.0513350), wk = 0.0030675 k( 178) = ( 0.0000000 0.0000000 0.0342233), wk = 0.0030675 k( 179) = ( 0.0000000 0.0000000 0.0171117), wk = 0.0030675 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 182) = ( -0.0131579 0.0108522 0.0000000), wk = 0.0030675 k( 183) = ( -0.0263158 0.0217044 0.0000000), wk = 0.0030675 k( 184) = ( -0.0394737 0.0325566 0.0000000), wk = 0.0030675 k( 185) = ( -0.0526316 0.0434088 0.0000000), wk = 0.0030675 k( 186) = ( -0.0657895 0.0542610 0.0000000), wk = 0.0030675 k( 187) = ( -0.0789474 0.0651132 0.0000000), wk = 0.0030675 k( 188) = ( -0.0921053 0.0759653 0.0000000), wk = 0.0030675 k( 189) = ( -0.1052632 0.0868175 0.0000000), wk = 0.0030675 k( 190) = ( -0.1184210 0.0976697 0.0000000), wk = 0.0030675 k( 191) = ( -0.1315790 0.1085219 0.0000000), wk = 0.0030675 k( 192) = ( -0.1447368 0.1193741 0.0000000), wk = 0.0030675 k( 193) = ( -0.1578947 0.1302263 0.0000000), wk = 0.0030675 k( 194) = ( -0.1710526 0.1410785 0.0000000), wk = 0.0030675 k( 195) = ( -0.1842105 0.1519307 0.0000000), wk = 0.0030675 k( 196) = ( -0.1973684 0.1627829 0.0000000), wk = 0.0030675 k( 197) = ( -0.2105263 0.1736351 0.0000000), wk = 0.0030675 k( 198) = ( -0.2236842 0.1844873 0.0000000), wk = 0.0030675 k( 199) = ( -0.2368421 0.1953395 0.0000000), wk = 0.0030675 k( 200) = ( -0.2500000 0.2061917 0.0000000), wk = 0.0030675 k( 201) = ( -0.2631579 0.2170438 0.0000000), wk = 0.0030675 k( 202) = ( -0.2763158 0.2278960 0.0000000), wk = 0.0030675 k( 203) = ( -0.2894737 0.2387482 0.0000000), wk = 0.0030675 k( 204) = ( -0.3026316 0.2496004 0.0000000), wk = 0.0030675 k( 205) = ( -0.3157895 0.2604526 0.0000000), wk = 0.0030675 k( 206) = ( -0.3289474 0.2713048 0.0000000), wk = 0.0030675 k( 207) = ( -0.3421053 0.2821570 0.0000000), wk = 0.0030675 k( 208) = ( -0.3552632 0.2930092 0.0000000), wk = 0.0030675 k( 209) = ( -0.3684211 0.3038614 0.0000000), wk = 0.0030675 k( 210) = ( -0.3815789 0.3147136 0.0000000), wk = 0.0030675 k( 211) = ( -0.3947368 0.3255658 0.0000000), wk = 0.0030675 k( 212) = ( -0.4078947 0.3364180 0.0000000), wk = 0.0030675 k( 213) = ( -0.4210526 0.3472702 0.0000000), wk = 0.0030675 k( 214) = ( -0.4342105 0.3581224 0.0000000), wk = 0.0030675 k( 215) = ( -0.4473684 0.3689745 0.0000000), wk = 0.0030675 k( 216) = ( -0.4605263 0.3798267 0.0000000), wk = 0.0030675 k( 217) = ( -0.4736842 0.3906789 0.0000000), wk = 0.0030675 k( 218) = ( -0.4868421 0.4015311 0.0000000), wk = 0.0030675 k( 219) = ( -0.5000000 0.4123833 0.0000000), wk = 0.0030675 k( 220) = ( -0.5000000 0.4123833 0.0000000), wk = 0.0030675 k( 221) = ( -0.4900075 0.4244989 -0.0000000), wk = 0.0030675 k( 222) = ( -0.4800150 0.4366144 -0.0000000), wk = 0.0030675 k( 223) = ( -0.4700225 0.4487300 -0.0000000), wk = 0.0030675 k( 224) = ( -0.4600300 0.4608455 -0.0000000), wk = 0.0030675 k( 225) = ( -0.4500375 0.4729611 -0.0000000), wk = 0.0030675 k( 226) = ( -0.4400450 0.4850766 -0.0000000), wk = 0.0030675 k( 227) = ( -0.4300525 0.4971922 -0.0000000), wk = 0.0030675 k( 228) = ( -0.4200600 0.5093077 -0.0000000), wk = 0.0030675 k( 229) = ( -0.4200600 0.5093077 -0.0000000), wk = 0.0030675 k( 230) = ( -0.4200600 0.5093077 0.0171117), wk = 0.0030675 k( 231) = ( -0.4200600 0.5093077 0.0342233), wk = 0.0030675 k( 232) = ( -0.4200600 0.5093077 0.0513350), wk = 0.0030675 k( 233) = ( -0.4200600 0.5093077 0.0684467), wk = 0.0030675 k( 234) = ( -0.4200600 0.5093077 0.0855583), wk = 0.0030675 k( 235) = ( -0.4200600 0.5093077 0.1026700), wk = 0.0030675 k( 236) = ( -0.4200600 0.5093077 0.1197817), wk = 0.0030675 k( 237) = ( -0.4200600 0.5093077 0.1368933), wk = 0.0030675 k( 238) = ( -0.4200600 0.5093077 0.1540050), wk = 0.0030675 k( 239) = ( -0.4200600 0.5093077 0.1711167), wk = 0.0030675 k( 240) = ( -0.4200600 0.5093077 0.1882284), wk = 0.0030675 k( 241) = ( -0.4200600 0.5093077 0.2053400), wk = 0.0030675 k( 242) = ( -0.4200600 0.5093077 0.2224517), wk = 0.0030675 k( 243) = ( -0.4200600 0.5093077 0.2395634), wk = 0.0030675 k( 244) = ( -0.4200600 0.5093077 0.2566750), wk = 0.0030675 k( 245) = ( -0.4200600 0.5093077 0.2737867), wk = 0.0030675 k( 246) = ( -0.4200600 0.5093077 0.2908984), wk = 0.0030675 k( 247) = ( -0.4200600 0.5093077 0.3080100), wk = 0.0030675 k( 248) = ( -0.4200600 0.5093077 0.3251217), wk = 0.0030675 k( 249) = ( -0.4200600 0.5093077 0.3422334), wk = 0.0030675 k( 250) = ( -0.4200600 0.5093077 0.3593450), wk = 0.0030675 k( 251) = ( -0.4200600 0.5093077 0.3764567), wk = 0.0030675 k( 252) = ( -0.4200600 0.5093077 0.3935684), wk = 0.0030675 k( 253) = ( -0.4200600 0.5093077 0.4106800), wk = 0.0030675 k( 254) = ( -0.4200600 0.5093077 0.4106800), wk = 0.0030675 k( 255) = ( -0.4300525 0.4971922 0.4106800), wk = 0.0030675 k( 256) = ( -0.4400450 0.4850766 0.4106800), wk = 0.0030675 k( 257) = ( -0.4500375 0.4729611 0.4106800), wk = 0.0030675 k( 258) = ( -0.4600300 0.4608455 0.4106800), wk = 0.0030675 k( 259) = ( -0.4700225 0.4487300 0.4106800), wk = 0.0030675 k( 260) = ( -0.4800150 0.4366144 0.4106800), wk = 0.0030675 k( 261) = ( -0.4900075 0.4244989 0.4106800), wk = 0.0030675 k( 262) = ( -0.5000000 0.4123833 0.4106800), wk = 0.0030675 k( 263) = ( -0.5000000 0.4123833 0.4106800), wk = 0.0030675 k( 264) = ( -0.5000000 0.4123833 0.3935684), wk = 0.0030675 k( 265) = ( -0.5000000 0.4123833 0.3764567), wk = 0.0030675 k( 266) = ( -0.5000000 0.4123833 0.3593450), wk = 0.0030675 k( 267) = ( -0.5000000 0.4123833 0.3422334), wk = 0.0030675 k( 268) = ( -0.5000000 0.4123833 0.3251217), wk = 0.0030675 k( 269) = ( -0.5000000 0.4123833 0.3080100), wk = 0.0030675 k( 270) = ( -0.5000000 0.4123833 0.2908984), wk = 0.0030675 k( 271) = ( -0.5000000 0.4123833 0.2737867), wk = 0.0030675 k( 272) = ( -0.5000000 0.4123833 0.2566750), wk = 0.0030675 k( 273) = ( -0.5000000 0.4123833 0.2395634), wk = 0.0030675 k( 274) = ( -0.5000000 0.4123833 0.2224517), wk = 0.0030675 k( 275) = ( -0.5000000 0.4123833 0.2053400), wk = 0.0030675 k( 276) = ( -0.5000000 0.4123833 0.1882284), wk = 0.0030675 k( 277) = ( -0.5000000 0.4123833 0.1711167), wk = 0.0030675 k( 278) = ( -0.5000000 0.4123833 0.1540050), wk = 0.0030675 k( 279) = ( -0.5000000 0.4123833 0.1368933), wk = 0.0030675 k( 280) = ( -0.5000000 0.4123833 0.1197817), wk = 0.0030675 k( 281) = ( -0.5000000 0.4123833 0.1026700), wk = 0.0030675 k( 282) = ( -0.5000000 0.4123833 0.0855583), wk = 0.0030675 k( 283) = ( -0.5000000 0.4123833 0.0684467), wk = 0.0030675 k( 284) = ( -0.5000000 0.4123833 0.0513350), wk = 0.0030675 k( 285) = ( -0.5000000 0.4123833 0.0342233), wk = 0.0030675 k( 286) = ( -0.5000000 0.4123833 0.0171117), wk = 0.0030675 k( 287) = ( -0.5000000 0.4123833 0.0000000), wk = 0.0030675 k( 288) = ( 0.0000000 0.0000000 0.4106800), wk = 0.0030675 k( 289) = ( -0.0131579 0.0108522 0.4106800), wk = 0.0030675 k( 290) = ( -0.0263158 0.0217044 0.4106800), wk = 0.0030675 k( 291) = ( -0.0394737 0.0325566 0.4106800), wk = 0.0030675 k( 292) = ( -0.0526316 0.0434088 0.4106800), wk = 0.0030675 k( 293) = ( -0.0657895 0.0542610 0.4106800), wk = 0.0030675 k( 294) = ( -0.0789474 0.0651132 0.4106800), wk = 0.0030675 k( 295) = ( -0.0921053 0.0759653 0.4106800), wk = 0.0030675 k( 296) = ( -0.1052632 0.0868175 0.4106800), wk = 0.0030675 k( 297) = ( -0.1184210 0.0976697 0.4106800), wk = 0.0030675 k( 298) = ( -0.1315790 0.1085219 0.4106800), wk = 0.0030675 k( 299) = ( -0.1447368 0.1193741 0.4106800), wk = 0.0030675 k( 300) = ( -0.1578947 0.1302263 0.4106800), wk = 0.0030675 k( 301) = ( -0.1710526 0.1410785 0.4106800), wk = 0.0030675 k( 302) = ( -0.1842105 0.1519307 0.4106800), wk = 0.0030675 k( 303) = ( -0.1973684 0.1627829 0.4106800), wk = 0.0030675 k( 304) = ( -0.2105263 0.1736351 0.4106800), wk = 0.0030675 k( 305) = ( -0.2236842 0.1844873 0.4106800), wk = 0.0030675 k( 306) = ( -0.2368421 0.1953395 0.4106800), wk = 0.0030675 k( 307) = ( -0.2500000 0.2061917 0.4106800), wk = 0.0030675 k( 308) = ( -0.2631579 0.2170438 0.4106800), wk = 0.0030675 k( 309) = ( -0.2763158 0.2278960 0.4106800), wk = 0.0030675 k( 310) = ( -0.2894737 0.2387482 0.4106800), wk = 0.0030675 k( 311) = ( -0.3026316 0.2496004 0.4106800), wk = 0.0030675 k( 312) = ( -0.3157895 0.2604526 0.4106800), wk = 0.0030675 k( 313) = ( -0.3289474 0.2713048 0.4106800), wk = 0.0030675 k( 314) = ( -0.3421053 0.2821570 0.4106800), wk = 0.0030675 k( 315) = ( -0.3552632 0.2930092 0.4106800), wk = 0.0030675 k( 316) = ( -0.3684211 0.3038614 0.4106800), wk = 0.0030675 k( 317) = ( -0.3815789 0.3147136 0.4106800), wk = 0.0030675 k( 318) = ( -0.3947368 0.3255658 0.4106800), wk = 0.0030675 k( 319) = ( -0.4078947 0.3364180 0.4106800), wk = 0.0030675 k( 320) = ( -0.4210526 0.3472702 0.4106800), wk = 0.0030675 k( 321) = ( -0.4342105 0.3581224 0.4106800), wk = 0.0030675 k( 322) = ( -0.4473684 0.3689745 0.4106800), wk = 0.0030675 k( 323) = ( -0.4605263 0.3798267 0.4106800), wk = 0.0030675 k( 324) = ( -0.4736842 0.3906789 0.4106800), wk = 0.0030675 k( 325) = ( -0.4868421 0.4015311 0.4106800), wk = 0.0030675 k( 326) = ( -0.5000000 0.4123833 0.4106800), wk = 0.0030675 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0110542 0.0110542 -0.0000000), wk = 0.0030675 k( 3) = ( 0.0221084 0.0221084 -0.0000000), wk = 0.0030675 k( 4) = ( 0.0331626 0.0331626 0.0000000), wk = 0.0030675 k( 5) = ( 0.0442168 0.0442168 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0552711 0.0552711 0.0000000), wk = 0.0030675 k( 7) = ( 0.0663253 0.0663253 0.0000000), wk = 0.0030675 k( 8) = ( 0.0773795 0.0773795 -0.0000000), wk = 0.0030675 k( 9) = ( 0.0884337 0.0884337 -0.0000000), wk = 0.0030675 k( 10) = ( 0.0994879 0.0994879 0.0000000), wk = 0.0030675 k( 11) = ( 0.1105421 0.1105421 0.0000000), wk = 0.0030675 k( 12) = ( 0.1215963 0.1215963 0.0000000), wk = 0.0030675 k( 13) = ( 0.1326505 0.1326505 0.0000000), wk = 0.0030675 k( 14) = ( 0.1437047 0.1437047 -0.0000000), wk = 0.0030675 k( 15) = ( 0.1547590 0.1547590 -0.0000000), wk = 0.0030675 k( 16) = ( 0.1658132 0.1658132 -0.0000000), wk = 0.0030675 k( 17) = ( 0.1768674 0.1768674 -0.0000000), wk = 0.0030675 k( 18) = ( 0.1879216 0.1879216 0.0000000), wk = 0.0030675 k( 19) = ( 0.1989758 0.1989758 0.0000000), wk = 0.0030675 k( 20) = ( 0.2100300 0.2100300 0.0000000), wk = 0.0030675 k( 21) = ( 0.2210842 0.2210842 -0.0000000), wk = 0.0030675 k( 22) = ( 0.2321384 0.2321384 0.0000000), wk = 0.0030675 k( 23) = ( 0.2431926 0.2431926 0.0000000), wk = 0.0030675 k( 24) = ( 0.2542468 0.2542468 -0.0000000), wk = 0.0030675 k( 25) = ( 0.2653010 0.2653010 -0.0000000), wk = 0.0030675 k( 26) = ( 0.2763553 0.2763553 -0.0000000), wk = 0.0030675 k( 27) = ( 0.2874095 0.2874095 -0.0000000), wk = 0.0030675 k( 28) = ( 0.2984637 0.2984637 -0.0000000), wk = 0.0030675 k( 29) = ( 0.3095179 0.3095179 0.0000000), wk = 0.0030675 k( 30) = ( 0.3205721 0.3205721 -0.0000000), wk = 0.0030675 k( 31) = ( 0.3316263 0.3316263 -0.0000000), wk = 0.0030675 k( 32) = ( 0.3426805 0.3426805 0.0000000), wk = 0.0030675 k( 33) = ( 0.3537347 0.3537347 -0.0000000), wk = 0.0030675 k( 34) = ( 0.3647890 0.3647890 0.0000000), wk = 0.0030675 k( 35) = ( 0.3758432 0.3758432 0.0000000), wk = 0.0030675 k( 36) = ( 0.3868974 0.3868974 -0.0000000), wk = 0.0030675 k( 37) = ( 0.3979516 0.3979516 0.0000000), wk = 0.0030675 k( 38) = ( 0.4090058 0.4090058 -0.0000000), wk = 0.0030675 k( 39) = ( 0.4200600 0.4200600 0.0000000), wk = 0.0030675 k( 40) = ( 0.4200600 0.4200600 0.0000000), wk = 0.0030675 k( 41) = ( 0.4032576 0.4232576 0.0000000), wk = 0.0030675 k( 42) = ( 0.3864552 0.4264552 -0.0000000), wk = 0.0030675 k( 43) = ( 0.3696528 0.4296528 0.0000000), wk = 0.0030675 k( 44) = ( 0.3528504 0.4328504 -0.0000000), wk = 0.0030675 k( 45) = ( 0.3360480 0.4360480 -0.0000000), wk = 0.0030675 k( 46) = ( 0.3192456 0.4392456 -0.0000000), wk = 0.0030675 k( 47) = ( 0.3024432 0.4424432 -0.0000000), wk = 0.0030675 k( 48) = ( 0.2856408 0.4456408 0.0000000), wk = 0.0030675 k( 49) = ( 0.2688384 0.4488384 0.0000000), wk = 0.0030675 k( 50) = ( 0.2520360 0.4520360 0.0000000), wk = 0.0030675 k( 51) = ( 0.2352336 0.4552336 -0.0000000), wk = 0.0030675 k( 52) = ( 0.2184312 0.4584312 -0.0000000), wk = 0.0030675 k( 53) = ( 0.2016288 0.4616288 -0.0000000), wk = 0.0030675 k( 54) = ( 0.1848264 0.4648264 0.0000000), wk = 0.0030675 k( 55) = ( 0.1680240 0.4680240 -0.0000000), wk = 0.0030675 k( 56) = ( 0.1512216 0.4712216 0.0000000), wk = 0.0030675 k( 57) = ( 0.1344192 0.4744192 -0.0000000), wk = 0.0030675 k( 58) = ( 0.1176168 0.4776168 0.0000000), wk = 0.0030675 k( 59) = ( 0.1008144 0.4808144 0.0000000), wk = 0.0030675 k( 60) = ( 0.0840120 0.4840120 -0.0000000), wk = 0.0030675 k( 61) = ( 0.0672096 0.4872096 -0.0000000), wk = 0.0030675 k( 62) = ( 0.0504072 0.4904072 0.0000000), wk = 0.0030675 k( 63) = ( 0.0336048 0.4936048 0.0000000), wk = 0.0030675 k( 64) = ( 0.0168024 0.4968024 0.0000000), wk = 0.0030675 k( 65) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 66) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 67) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0030675 k( 68) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0030675 k( 69) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0030675 k( 70) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0030675 k( 71) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0030675 k( 72) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0030675 k( 73) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0030675 k( 74) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0030675 k( 75) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0030675 k( 76) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0030675 k( 77) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0030675 k( 78) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0030675 k( 79) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0030675 k( 80) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0030675 k( 81) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0030675 k( 82) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0030675 k( 83) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0030675 k( 84) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0030675 k( 85) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0030675 k( 86) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0030675 k( 87) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0030675 k( 88) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0030675 k( 89) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0030675 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 91) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 92) = ( 0.0168024 0.4968024 0.5000000), wk = 0.0030675 k( 93) = ( 0.0336048 0.4936048 0.5000000), wk = 0.0030675 k( 94) = ( 0.0504072 0.4904072 0.5000000), wk = 0.0030675 k( 95) = ( 0.0672096 0.4872096 0.5000000), wk = 0.0030675 k( 96) = ( 0.0840120 0.4840120 0.5000000), wk = 0.0030675 k( 97) = ( 0.1008144 0.4808144 0.5000000), wk = 0.0030675 k( 98) = ( 0.1176168 0.4776168 0.5000000), wk = 0.0030675 k( 99) = ( 0.1344192 0.4744192 0.5000000), wk = 0.0030675 k( 100) = ( 0.1512216 0.4712216 0.5000000), wk = 0.0030675 k( 101) = ( 0.1680240 0.4680240 0.5000000), wk = 0.0030675 k( 102) = ( 0.1848264 0.4648264 0.5000000), wk = 0.0030675 k( 103) = ( 0.2016288 0.4616288 0.5000000), wk = 0.0030675 k( 104) = ( 0.2184312 0.4584312 0.5000000), wk = 0.0030675 k( 105) = ( 0.2352336 0.4552336 0.5000000), wk = 0.0030675 k( 106) = ( 0.2520360 0.4520360 0.5000000), wk = 0.0030675 k( 107) = ( 0.2688384 0.4488384 0.5000000), wk = 0.0030675 k( 108) = ( 0.2856408 0.4456408 0.5000000), wk = 0.0030675 k( 109) = ( 0.3024432 0.4424432 0.5000000), wk = 0.0030675 k( 110) = ( 0.3192456 0.4392456 0.5000000), wk = 0.0030675 k( 111) = ( 0.3360480 0.4360480 0.5000000), wk = 0.0030675 k( 112) = ( 0.3528504 0.4328504 0.5000000), wk = 0.0030675 k( 113) = ( 0.3696528 0.4296528 0.5000000), wk = 0.0030675 k( 114) = ( 0.3864552 0.4264552 0.5000000), wk = 0.0030675 k( 115) = ( 0.4032576 0.4232576 0.5000000), wk = 0.0030675 k( 116) = ( 0.4200600 0.4200600 0.5000000), wk = 0.0030675 k( 117) = ( 0.4200600 0.4200600 0.5000000), wk = 0.0030675 k( 118) = ( 0.4090058 0.4090058 0.5000000), wk = 0.0030675 k( 119) = ( 0.3979516 0.3979516 0.5000000), wk = 0.0030675 k( 120) = ( 0.3868974 0.3868974 0.5000000), wk = 0.0030675 k( 121) = ( 0.3758432 0.3758432 0.5000000), wk = 0.0030675 k( 122) = ( 0.3647890 0.3647890 0.5000000), wk = 0.0030675 k( 123) = ( 0.3537347 0.3537347 0.5000000), wk = 0.0030675 k( 124) = ( 0.3426805 0.3426805 0.5000000), wk = 0.0030675 k( 125) = ( 0.3316263 0.3316263 0.5000000), wk = 0.0030675 k( 126) = ( 0.3205721 0.3205721 0.5000000), wk = 0.0030675 k( 127) = ( 0.3095179 0.3095179 0.5000000), wk = 0.0030675 k( 128) = ( 0.2984637 0.2984637 0.5000000), wk = 0.0030675 k( 129) = ( 0.2874095 0.2874095 0.5000000), wk = 0.0030675 k( 130) = ( 0.2763553 0.2763553 0.5000000), wk = 0.0030675 k( 131) = ( 0.2653010 0.2653010 0.5000000), wk = 0.0030675 k( 132) = ( 0.2542468 0.2542468 0.5000000), wk = 0.0030675 k( 133) = ( 0.2431926 0.2431926 0.5000000), wk = 0.0030675 k( 134) = ( 0.2321384 0.2321384 0.5000000), wk = 0.0030675 k( 135) = ( 0.2210842 0.2210842 0.5000000), wk = 0.0030675 k( 136) = ( 0.2100300 0.2100300 0.5000000), wk = 0.0030675 k( 137) = ( 0.1989758 0.1989758 0.5000000), wk = 0.0030675 k( 138) = ( 0.1879216 0.1879216 0.5000000), wk = 0.0030675 k( 139) = ( 0.1768674 0.1768674 0.5000000), wk = 0.0030675 k( 140) = ( 0.1658132 0.1658132 0.5000000), wk = 0.0030675 k( 141) = ( 0.1547590 0.1547590 0.5000000), wk = 0.0030675 k( 142) = ( 0.1437047 0.1437047 0.5000000), wk = 0.0030675 k( 143) = ( 0.1326505 0.1326505 0.5000000), wk = 0.0030675 k( 144) = ( 0.1215963 0.1215963 0.5000000), wk = 0.0030675 k( 145) = ( 0.1105421 0.1105421 0.5000000), wk = 0.0030675 k( 146) = ( 0.0994879 0.0994879 0.5000000), wk = 0.0030675 k( 147) = ( 0.0884337 0.0884337 0.5000000), wk = 0.0030675 k( 148) = ( 0.0773795 0.0773795 0.5000000), wk = 0.0030675 k( 149) = ( 0.0663253 0.0663253 0.5000000), wk = 0.0030675 k( 150) = ( 0.0552711 0.0552711 0.5000000), wk = 0.0030675 k( 151) = ( 0.0442168 0.0442168 0.5000000), wk = 0.0030675 k( 152) = ( 0.0331626 0.0331626 0.5000000), wk = 0.0030675 k( 153) = ( 0.0221084 0.0221084 0.5000000), wk = 0.0030675 k( 154) = ( 0.0110542 0.0110542 0.5000000), wk = 0.0030675 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 157) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0030675 k( 158) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0030675 k( 159) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030675 k( 160) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030675 k( 161) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0030675 k( 162) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030675 k( 163) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0030675 k( 164) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030675 k( 165) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030675 k( 166) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0030675 k( 167) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0030675 k( 168) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030675 k( 169) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0030675 k( 170) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0030675 k( 171) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030675 k( 172) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030675 k( 173) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0030675 k( 174) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030675 k( 175) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0030675 k( 176) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030675 k( 177) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030675 k( 178) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0030675 k( 179) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0030675 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 182) = ( -0.0131579 0.0131579 -0.0000000), wk = 0.0030675 k( 183) = ( -0.0263158 0.0263158 -0.0000000), wk = 0.0030675 k( 184) = ( -0.0394737 0.0394737 -0.0000000), wk = 0.0030675 k( 185) = ( -0.0526316 0.0526316 -0.0000000), wk = 0.0030675 k( 186) = ( -0.0657895 0.0657895 -0.0000000), wk = 0.0030675 k( 187) = ( -0.0789474 0.0789474 0.0000000), wk = 0.0030675 k( 188) = ( -0.0921053 0.0921053 0.0000000), wk = 0.0030675 k( 189) = ( -0.1052632 0.1052632 -0.0000000), wk = 0.0030675 k( 190) = ( -0.1184210 0.1184210 -0.0000000), wk = 0.0030675 k( 191) = ( -0.1315790 0.1315790 -0.0000000), wk = 0.0030675 k( 192) = ( -0.1447368 0.1447368 -0.0000000), wk = 0.0030675 k( 193) = ( -0.1578947 0.1578947 0.0000000), wk = 0.0030675 k( 194) = ( -0.1710526 0.1710526 -0.0000000), wk = 0.0030675 k( 195) = ( -0.1842105 0.1842105 -0.0000000), wk = 0.0030675 k( 196) = ( -0.1973684 0.1973684 0.0000000), wk = 0.0030675 k( 197) = ( -0.2105263 0.2105263 -0.0000000), wk = 0.0030675 k( 198) = ( -0.2236842 0.2236842 -0.0000000), wk = 0.0030675 k( 199) = ( -0.2368421 0.2368421 0.0000000), wk = 0.0030675 k( 200) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0030675 k( 201) = ( -0.2631579 0.2631579 -0.0000000), wk = 0.0030675 k( 202) = ( -0.2763158 0.2763158 -0.0000000), wk = 0.0030675 k( 203) = ( -0.2894737 0.2894737 -0.0000000), wk = 0.0030675 k( 204) = ( -0.3026316 0.3026316 -0.0000000), wk = 0.0030675 k( 205) = ( -0.3157895 0.3157895 -0.0000000), wk = 0.0030675 k( 206) = ( -0.3289474 0.3289474 -0.0000000), wk = 0.0030675 k( 207) = ( -0.3421053 0.3421053 -0.0000000), wk = 0.0030675 k( 208) = ( -0.3552632 0.3552632 -0.0000000), wk = 0.0030675 k( 209) = ( -0.3684211 0.3684211 -0.0000000), wk = 0.0030675 k( 210) = ( -0.3815789 0.3815789 -0.0000000), wk = 0.0030675 k( 211) = ( -0.3947368 0.3947368 0.0000000), wk = 0.0030675 k( 212) = ( -0.4078947 0.4078947 -0.0000000), wk = 0.0030675 k( 213) = ( -0.4210526 0.4210526 -0.0000000), wk = 0.0030675 k( 214) = ( -0.4342105 0.4342105 -0.0000000), wk = 0.0030675 k( 215) = ( -0.4473684 0.4473684 -0.0000000), wk = 0.0030675 k( 216) = ( -0.4605263 0.4605263 -0.0000000), wk = 0.0030675 k( 217) = ( -0.4736842 0.4736842 0.0000000), wk = 0.0030675 k( 218) = ( -0.4868421 0.4868421 -0.0000000), wk = 0.0030675 k( 219) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 220) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 221) = ( -0.4900075 0.5099925 0.0000000), wk = 0.0030675 k( 222) = ( -0.4800150 0.5199850 0.0000000), wk = 0.0030675 k( 223) = ( -0.4700225 0.5299775 -0.0000000), wk = 0.0030675 k( 224) = ( -0.4600300 0.5399700 -0.0000000), wk = 0.0030675 k( 225) = ( -0.4500375 0.5499625 -0.0000000), wk = 0.0030675 k( 226) = ( -0.4400450 0.5599550 -0.0000000), wk = 0.0030675 k( 227) = ( -0.4300525 0.5699475 0.0000000), wk = 0.0030675 k( 228) = ( -0.4200600 0.5799400 -0.0000000), wk = 0.0030675 k( 229) = ( -0.4200600 0.5799400 -0.0000000), wk = 0.0030675 k( 230) = ( -0.4200600 0.5799400 0.0208333), wk = 0.0030675 k( 231) = ( -0.4200600 0.5799400 0.0416667), wk = 0.0030675 k( 232) = ( -0.4200600 0.5799400 0.0625000), wk = 0.0030675 k( 233) = ( -0.4200600 0.5799400 0.0833333), wk = 0.0030675 k( 234) = ( -0.4200600 0.5799400 0.1041667), wk = 0.0030675 k( 235) = ( -0.4200600 0.5799400 0.1250000), wk = 0.0030675 k( 236) = ( -0.4200600 0.5799400 0.1458333), wk = 0.0030675 k( 237) = ( -0.4200600 0.5799400 0.1666667), wk = 0.0030675 k( 238) = ( -0.4200600 0.5799400 0.1875000), wk = 0.0030675 k( 239) = ( -0.4200600 0.5799400 0.2083333), wk = 0.0030675 k( 240) = ( -0.4200600 0.5799400 0.2291667), wk = 0.0030675 k( 241) = ( -0.4200600 0.5799400 0.2500000), wk = 0.0030675 k( 242) = ( -0.4200600 0.5799400 0.2708333), wk = 0.0030675 k( 243) = ( -0.4200600 0.5799400 0.2916667), wk = 0.0030675 k( 244) = ( -0.4200600 0.5799400 0.3125000), wk = 0.0030675 k( 245) = ( -0.4200600 0.5799400 0.3333333), wk = 0.0030675 k( 246) = ( -0.4200600 0.5799400 0.3541667), wk = 0.0030675 k( 247) = ( -0.4200600 0.5799400 0.3750000), wk = 0.0030675 k( 248) = ( -0.4200600 0.5799400 0.3958333), wk = 0.0030675 k( 249) = ( -0.4200600 0.5799400 0.4166667), wk = 0.0030675 k( 250) = ( -0.4200600 0.5799400 0.4375000), wk = 0.0030675 k( 251) = ( -0.4200600 0.5799400 0.4583333), wk = 0.0030675 k( 252) = ( -0.4200600 0.5799400 0.4791667), wk = 0.0030675 k( 253) = ( -0.4200600 0.5799400 0.5000000), wk = 0.0030675 k( 254) = ( -0.4200600 0.5799400 0.5000000), wk = 0.0030675 k( 255) = ( -0.4300525 0.5699475 0.5000000), wk = 0.0030675 k( 256) = ( -0.4400450 0.5599550 0.5000000), wk = 0.0030675 k( 257) = ( -0.4500375 0.5499625 0.5000000), wk = 0.0030675 k( 258) = ( -0.4600300 0.5399700 0.5000000), wk = 0.0030675 k( 259) = ( -0.4700225 0.5299775 0.5000000), wk = 0.0030675 k( 260) = ( -0.4800150 0.5199850 0.5000000), wk = 0.0030675 k( 261) = ( -0.4900075 0.5099925 0.5000000), wk = 0.0030675 k( 262) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 263) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 264) = ( -0.5000000 0.5000000 0.4791667), wk = 0.0030675 k( 265) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0030675 k( 266) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0030675 k( 267) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0030675 k( 268) = ( -0.5000000 0.5000000 0.3958333), wk = 0.0030675 k( 269) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0030675 k( 270) = ( -0.5000000 0.5000000 0.3541667), wk = 0.0030675 k( 271) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0030675 k( 272) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0030675 k( 273) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0030675 k( 274) = ( -0.5000000 0.5000000 0.2708333), wk = 0.0030675 k( 275) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0030675 k( 276) = ( -0.5000000 0.5000000 0.2291667), wk = 0.0030675 k( 277) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0030675 k( 278) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0030675 k( 279) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0030675 k( 280) = ( -0.5000000 0.5000000 0.1458333), wk = 0.0030675 k( 281) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0030675 k( 282) = ( -0.5000000 0.5000000 0.1041667), wk = 0.0030675 k( 283) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0030675 k( 284) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0030675 k( 285) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0030675 k( 286) = ( -0.5000000 0.5000000 0.0208333), wk = 0.0030675 k( 287) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 288) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 289) = ( -0.0131579 0.0131579 0.5000000), wk = 0.0030675 k( 290) = ( -0.0263158 0.0263158 0.5000000), wk = 0.0030675 k( 291) = ( -0.0394737 0.0394737 0.5000000), wk = 0.0030675 k( 292) = ( -0.0526316 0.0526316 0.5000000), wk = 0.0030675 k( 293) = ( -0.0657895 0.0657895 0.5000000), wk = 0.0030675 k( 294) = ( -0.0789474 0.0789474 0.5000000), wk = 0.0030675 k( 295) = ( -0.0921053 0.0921053 0.5000000), wk = 0.0030675 k( 296) = ( -0.1052632 0.1052632 0.5000000), wk = 0.0030675 k( 297) = ( -0.1184210 0.1184210 0.5000000), wk = 0.0030675 k( 298) = ( -0.1315790 0.1315790 0.5000000), wk = 0.0030675 k( 299) = ( -0.1447368 0.1447368 0.5000000), wk = 0.0030675 k( 300) = ( -0.1578947 0.1578947 0.5000000), wk = 0.0030675 k( 301) = ( -0.1710526 0.1710526 0.5000000), wk = 0.0030675 k( 302) = ( -0.1842105 0.1842105 0.5000000), wk = 0.0030675 k( 303) = ( -0.1973684 0.1973684 0.5000000), wk = 0.0030675 k( 304) = ( -0.2105263 0.2105263 0.5000000), wk = 0.0030675 k( 305) = ( -0.2236842 0.2236842 0.5000000), wk = 0.0030675 k( 306) = ( -0.2368421 0.2368421 0.5000000), wk = 0.0030675 k( 307) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0030675 k( 308) = ( -0.2631579 0.2631579 0.5000000), wk = 0.0030675 k( 309) = ( -0.2763158 0.2763158 0.5000000), wk = 0.0030675 k( 310) = ( -0.2894737 0.2894737 0.5000000), wk = 0.0030675 k( 311) = ( -0.3026316 0.3026316 0.5000000), wk = 0.0030675 k( 312) = ( -0.3157895 0.3157895 0.5000000), wk = 0.0030675 k( 313) = ( -0.3289474 0.3289474 0.5000000), wk = 0.0030675 k( 314) = ( -0.3421053 0.3421053 0.5000000), wk = 0.0030675 k( 315) = ( -0.3552632 0.3552632 0.5000000), wk = 0.0030675 k( 316) = ( -0.3684211 0.3684211 0.5000000), wk = 0.0030675 k( 317) = ( -0.3815789 0.3815789 0.5000000), wk = 0.0030675 k( 318) = ( -0.3947368 0.3947368 0.5000000), wk = 0.0030675 k( 319) = ( -0.4078947 0.4078947 0.5000000), wk = 0.0030675 k( 320) = ( -0.4210526 0.4210526 0.5000000), wk = 0.0030675 k( 321) = ( -0.4342105 0.4342105 0.5000000), wk = 0.0030675 k( 322) = ( -0.4473684 0.4473684 0.5000000), wk = 0.0030675 k( 323) = ( -0.4605263 0.4605263 0.5000000), wk = 0.0030675 k( 324) = ( -0.4736842 0.4736842 0.5000000), wk = 0.0030675 k( 325) = ( -0.4868421 0.4868421 0.5000000), wk = 0.0030675 k( 326) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030675 Dense grid: 196277 G-vectors FFT dimensions: ( 72, 72, 90) Smooth grid: 128615 G-vectors FFT dimensions: ( 60, 60, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.89 Mb ( 946, 62) NL pseudopotentials 1.88 Mb ( 473, 260) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.04 Mb ( 5453) G-vector shells 0.02 Mb ( 2725) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.58 Mb ( 946, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.49 Mb ( 260, 2, 62) The potential is recalculated from file : ./CsAuS.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.5 secs Computing kpt #: 5 total cpu time spent up to now is 11.2 secs Computing kpt #: 6 total cpu time spent up to now is 12.9 secs Computing kpt #: 7 total cpu time spent up to now is 14.6 secs Computing kpt #: 8 total cpu time spent up to now is 16.3 secs Computing kpt #: 9 total cpu time spent up to now is 18.0 secs Computing kpt #: 10 total cpu time spent up to now is 19.8 secs Computing kpt #: 11 total cpu time spent up to now is 21.6 secs Computing kpt #: 12 total cpu time spent up to now is 23.4 secs Computing kpt #: 13 total cpu time spent up to now is 25.2 secs Computing kpt #: 14 total cpu time spent up to now is 27.1 secs Computing kpt #: 15 total cpu time spent up to now is 28.9 secs Computing kpt #: 16 total cpu time spent up to now is 30.8 secs Computing kpt #: 17 total cpu time spent up to now is 32.5 secs Computing kpt #: 18 total cpu time spent up to now is 34.3 secs Computing kpt #: 19 total cpu time spent up to now is 36.0 secs Computing kpt #: 20 total cpu time spent up to now is 37.7 secs Computing kpt #: 21 total cpu time spent up to now is 39.4 secs Computing kpt #: 22 total cpu time spent up to now is 41.1 secs Computing kpt #: 23 total cpu time spent up to now is 42.6 secs Computing kpt #: 24 total cpu time spent up to now is 44.1 secs Computing kpt #: 25 total cpu time spent up to now is 45.6 secs Computing kpt #: 26 total cpu time spent up to now is 47.0 secs Computing kpt #: 27 total cpu time spent up to now is 48.5 secs Computing kpt #: 28 total cpu time spent up to now is 50.0 secs Computing kpt #: 29 total cpu time spent up to now is 51.5 secs Computing kpt #: 30 total cpu time spent up to now is 52.9 secs Computing kpt #: 31 total cpu time spent up to now is 54.4 secs Computing kpt #: 32 total cpu time spent up to now is 55.9 secs Computing kpt #: 33 total cpu time spent up to now is 57.6 secs Computing kpt #: 34 total cpu time spent up to now is 59.3 secs Computing kpt #: 35 total cpu time spent up to now is 61.0 secs Computing kpt #: 36 total cpu time spent up to now is 62.6 secs Computing kpt #: 37 total cpu time spent up to now is 64.3 secs Computing kpt #: 38 total cpu time spent up to now is 66.0 secs Computing kpt #: 39 total cpu time spent up to now is 67.7 secs Computing kpt #: 40 total cpu time spent up to now is 69.3 secs Computing kpt #: 41 total cpu time spent up to now is 71.0 secs Computing kpt #: 42 total cpu time spent up to now is 72.7 secs Computing kpt #: 43 total cpu time spent up to now is 74.4 secs Computing kpt #: 44 total cpu time spent up to now is 76.1 secs Computing kpt #: 45 total cpu time spent up to now is 77.7 secs Computing kpt #: 46 total cpu time spent up to now is 79.4 secs Computing kpt #: 47 total cpu time spent up to now is 81.1 secs Computing kpt #: 48 total cpu time spent up to now is 82.6 secs Computing kpt #: 49 total cpu time spent up to now is 84.1 secs Computing kpt #: 50 total cpu time spent up to now is 85.6 secs Computing kpt #: 51 total cpu time spent up to now is 87.1 secs Computing kpt #: 52 total cpu time spent up to now is 88.6 secs Computing kpt #: 53 total cpu time spent up to now is 90.1 secs Computing kpt #: 54 total cpu time spent up to now is 91.6 secs Computing kpt #: 55 total cpu time spent up to now is 93.1 secs Computing kpt #: 56 total cpu time spent up to now is 94.6 secs Computing kpt #: 57 total cpu time spent up to now is 96.1 secs Computing kpt #: 58 total cpu time spent up to now is 97.7 secs Computing kpt #: 59 total cpu time spent up to now is 99.3 secs Computing kpt #: 60 total cpu time spent up to now is 101.0 secs Computing kpt #: 61 total cpu time spent up to now is 102.7 secs Computing kpt #: 62 total cpu time spent up to now is 104.4 secs Computing kpt #: 63 total cpu time spent up to now is 106.1 secs Computing kpt #: 64 total cpu time spent up to now is 107.8 secs Computing kpt #: 65 total cpu time spent up to now is 109.5 secs Computing kpt #: 66 total cpu time spent up to now is 111.2 secs Computing kpt #: 67 total cpu time spent up to now is 112.9 secs Computing kpt #: 68 total cpu time spent up to now is 114.6 secs Computing kpt #: 69 total cpu time spent up to now is 116.4 secs Computing kpt #: 70 total cpu time spent up to now is 118.1 secs Computing kpt #: 71 total cpu time spent up to now is 119.9 secs Computing kpt #: 72 total cpu time spent up to now is 121.6 secs Computing kpt #: 73 total cpu time spent up to now is 123.4 secs Computing kpt #: 74 total cpu time spent up to now is 125.1 secs Computing kpt #: 75 total cpu time spent up to now is 126.9 secs Computing kpt #: 76 total cpu time spent up to now is 128.6 secs Computing kpt #: 77 total cpu time spent up to now is 130.4 secs Computing kpt #: 78 total cpu time spent up to now is 132.2 secs Computing kpt #: 79 total cpu time spent up to now is 133.9 secs Computing kpt #: 80 total cpu time spent up to now is 135.7 secs Computing kpt #: 81 total cpu time spent up to now is 137.5 secs Computing kpt #: 82 total cpu time spent up to now is 139.3 secs Computing kpt #: 83 total cpu time spent up to now is 141.1 secs Computing kpt #: 84 total cpu time spent up to now is 143.0 secs Computing kpt #: 85 total cpu time spent up to now is 144.9 secs Computing kpt #: 86 total cpu time spent up to now is 146.7 secs Computing kpt #: 87 total cpu time spent up to now is 148.6 secs Computing kpt #: 88 total cpu time spent up to now is 150.4 secs Computing kpt #: 89 total cpu time spent up to now is 152.3 secs Computing kpt #: 90 total cpu time spent up to now is 154.1 secs Computing kpt #: 91 total cpu time spent up to now is 156.0 secs Computing kpt #: 92 total cpu time spent up to now is 157.9 secs Computing kpt #: 93 total cpu time spent up to now is 159.8 secs Computing kpt #: 94 total cpu time spent up to now is 161.6 secs Computing kpt #: 95 total cpu time spent up to now is 163.5 secs Computing kpt #: 96 total cpu time spent up to now is 165.5 secs Computing kpt #: 97 total cpu time spent up to now is 167.4 secs Computing kpt #: 98 total cpu time spent up to now is 169.3 secs Computing kpt #: 99 total cpu time spent up to now is 171.3 secs Computing kpt #: 100 total cpu time spent up to now is 173.1 secs Computing kpt #: 101 total cpu time spent up to now is 174.9 secs Computing kpt #: 102 total cpu time spent up to now is 176.7 secs Computing kpt #: 103 total cpu time spent up to now is 178.5 secs Computing kpt #: 104 total cpu time spent up to now is 180.2 secs Computing kpt #: 105 total cpu time spent up to now is 182.0 secs Computing kpt #: 106 total cpu time spent up to now is 183.8 secs Computing kpt #: 107 total cpu time spent up to now is 185.6 secs Computing kpt #: 108 total cpu time spent up to now is 187.3 secs Computing kpt #: 109 total cpu time spent up to now is 189.1 secs Computing kpt #: 110 total cpu time spent up to now is 190.8 secs Computing kpt #: 111 total cpu time spent up to now is 192.6 secs Computing kpt #: 112 total cpu time spent up to now is 194.3 secs Computing kpt #: 113 total cpu time spent up to now is 196.1 secs Computing kpt #: 114 total cpu time spent up to now is 197.8 secs Computing kpt #: 115 total cpu time spent up to now is 199.5 secs Computing kpt #: 116 total cpu time spent up to now is 201.3 secs Computing kpt #: 117 total cpu time spent up to now is 203.1 secs Computing kpt #: 118 total cpu time spent up to now is 204.8 secs Computing kpt #: 119 total cpu time spent up to now is 206.6 secs Computing kpt #: 120 total cpu time spent up to now is 208.3 secs Computing kpt #: 121 total cpu time spent up to now is 210.1 secs Computing kpt #: 122 total cpu time spent up to now is 211.8 secs Computing kpt #: 123 total cpu time spent up to now is 213.6 secs Computing kpt #: 124 total cpu time spent up to now is 215.3 secs Computing kpt #: 125 total cpu time spent up to now is 217.0 secs Computing kpt #: 126 total cpu time spent up to now is 218.8 secs Computing kpt #: 127 total cpu time spent up to now is 220.6 secs Computing kpt #: 128 total cpu time spent up to now is 222.3 secs Computing kpt #: 129 total cpu time spent up to now is 224.1 secs Computing kpt #: 130 total cpu time spent up to now is 225.9 secs Computing kpt #: 131 total cpu time spent up to now is 227.7 secs Computing kpt #: 132 total cpu time spent up to now is 229.5 secs Computing kpt #: 133 total cpu time spent up to now is 231.3 secs Computing kpt #: 134 total cpu time spent up to now is 233.2 secs Computing kpt #: 135 total cpu time spent up to now is 235.1 secs Computing kpt #: 136 total cpu time spent up to now is 237.5 secs Computing kpt #: 137 total cpu time spent up to now is 239.3 secs Computing kpt #: 138 total cpu time spent up to now is 241.2 secs Computing kpt #: 139 total cpu time spent up to now is 243.1 secs Computing kpt #: 140 total cpu time spent up to now is 244.9 secs Computing kpt #: 141 total cpu time spent up to now is 246.8 secs Computing kpt #: 142 total cpu time spent up to now is 248.8 secs Computing kpt #: 143 total cpu time spent up to now is 250.6 secs Computing kpt #: 144 total cpu time spent up to now is 252.5 secs Computing kpt #: 145 total cpu time spent up to now is 254.4 secs Computing kpt #: 146 total cpu time spent up to now is 256.3 secs Computing kpt #: 147 total cpu time spent up to now is 258.2 secs Computing kpt #: 148 total cpu time spent up to now is 260.1 secs Computing kpt #: 149 total cpu time spent up to now is 262.0 secs Computing kpt #: 150 total cpu time spent up to now is 263.9 secs Computing kpt #: 151 total cpu time spent up to now is 265.9 secs Computing kpt #: 152 total cpu time spent up to now is 267.8 secs Computing kpt #: 153 total cpu time spent up to now is 270.5 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.2 secs Computing kpt #: 155 total cpu time spent up to now is 276.0 secs Computing kpt #: 156 total cpu time spent up to now is 277.7 secs Computing kpt #: 157 total cpu time spent up to now is 279.4 secs Computing kpt #: 158 total cpu time spent up to now is 281.1 secs Computing kpt #: 159 total cpu time spent up to now is 282.7 secs Computing kpt #: 160 total cpu time spent up to now is 284.2 secs Computing kpt #: 161 total cpu time spent up to now is 285.8 secs Computing kpt #: 162 total cpu time spent up to now is 287.3 secs Computing kpt #: 163 total cpu time spent up to now is 288.8 secs Computing kpt #: 164 total cpu time spent up to now is 290.3 secs Computing kpt #: 165 total cpu time spent up to now is 291.9 secs Computing kpt #: 166 total cpu time spent up to now is 293.4 secs Computing kpt #: 167 total cpu time spent up to now is 294.9 secs Computing kpt #: 168 total cpu time spent up to now is 296.5 secs Computing kpt #: 169 total cpu time spent up to now is 298.0 secs Computing kpt #: 170 total cpu time spent up to now is 299.5 secs Computing kpt #: 171 total cpu time spent up to now is 301.2 secs Computing kpt #: 172 total cpu time spent up to now is 302.7 secs Computing kpt #: 173 total cpu time spent up to now is 304.2 secs Computing kpt #: 174 total cpu time spent up to now is 305.8 secs Computing kpt #: 175 total cpu time spent up to now is 307.3 secs Computing kpt #: 176 total cpu time spent up to now is 308.8 secs Computing kpt #: 177 total cpu time spent up to now is 310.5 secs Computing kpt #: 178 total cpu time spent up to now is 312.2 secs Computing kpt #: 179 total cpu time spent up to now is 313.8 secs Computing kpt #: 180 total cpu time spent up to now is 315.5 secs Computing kpt #: 181 total cpu time spent up to now is 317.2 secs Computing kpt #: 182 total cpu time spent up to now is 318.9 secs Computing kpt #: 183 total cpu time spent up to now is 320.5 secs Computing kpt #: 184 total cpu time spent up to now is 322.2 secs Computing kpt #: 185 total cpu time spent up to now is 323.9 secs Computing kpt #: 186 total cpu time spent up to now is 325.6 secs Computing kpt #: 187 total cpu time spent up to now is 327.3 secs Computing kpt #: 188 total cpu time spent up to now is 329.0 secs Computing kpt #: 189 total cpu time spent up to now is 330.7 secs Computing kpt #: 190 total cpu time spent up to now is 332.4 secs Computing kpt #: 191 total cpu time spent up to now is 334.0 secs Computing kpt #: 192 total cpu time spent up to now is 335.7 secs Computing kpt #: 193 total cpu time spent up to now is 337.4 secs Computing kpt #: 194 total cpu time spent up to now is 339.1 secs Computing kpt #: 195 total cpu time spent up to now is 340.8 secs Computing kpt #: 196 total cpu time spent up to now is 342.4 secs Computing kpt #: 197 total cpu time spent up to now is 343.9 secs Computing kpt #: 198 total cpu time spent up to now is 345.5 secs Computing kpt #: 199 total cpu time spent up to now is 347.0 secs Computing kpt #: 200 total cpu time spent up to now is 348.6 secs Computing kpt #: 201 total cpu time spent up to now is 350.1 secs Computing kpt #: 202 total cpu time spent up to now is 351.6 secs Computing kpt #: 203 total cpu time spent up to now is 354.1 secs Computing kpt #: 204 total cpu time spent up to now is 355.6 secs Computing kpt #: 205 total cpu time spent up to now is 357.1 secs Computing kpt #: 206 total cpu time spent up to now is 358.6 secs Computing kpt #: 207 total cpu time spent up to now is 360.2 secs Computing kpt #: 208 total cpu time spent up to now is 361.7 secs Computing kpt #: 209 total cpu time spent up to now is 363.4 secs Computing kpt #: 210 total cpu time spent up to now is 365.1 secs Computing kpt #: 211 total cpu time spent up to now is 366.8 secs Computing kpt #: 212 total cpu time spent up to now is 368.5 secs Computing kpt #: 213 total cpu time spent up to now is 370.2 secs Computing kpt #: 214 total cpu time spent up to now is 371.9 secs Computing kpt #: 215 total cpu time spent up to now is 373.6 secs Computing kpt #: 216 total cpu time spent up to now is 375.3 secs Computing kpt #: 217 total cpu time spent up to now is 377.0 secs Computing kpt #: 218 total cpu time spent up to now is 378.7 secs Computing kpt #: 219 total cpu time spent up to now is 380.4 secs Computing kpt #: 220 total cpu time spent up to now is 382.0 secs Computing kpt #: 221 total cpu time spent up to now is 383.7 secs Computing kpt #: 222 total cpu time spent up to now is 385.4 secs Computing kpt #: 223 total cpu time spent up to now is 387.1 secs Computing kpt #: 224 total cpu time spent up to now is 388.8 secs Computing kpt #: 225 total cpu time spent up to now is 390.5 secs Computing kpt #: 226 total cpu time spent up to now is 392.2 secs Computing kpt #: 227 total cpu time spent up to now is 393.9 secs Computing kpt #: 228 total cpu time spent up to now is 395.5 secs Computing kpt #: 229 total cpu time spent up to now is 397.2 secs Computing kpt #: 230 total cpu time spent up to now is 398.9 secs Computing kpt #: 231 total cpu time spent up to now is 400.6 secs Computing kpt #: 232 total cpu time spent up to now is 402.3 secs Computing kpt #: 233 total cpu time spent up to now is 404.0 secs Computing kpt #: 234 total cpu time spent up to now is 405.7 secs Computing kpt #: 235 total cpu time spent up to now is 407.4 secs Computing kpt #: 236 total cpu time spent up to now is 409.1 secs Computing kpt #: 237 total cpu time spent up to now is 410.8 secs Computing kpt #: 238 total cpu time spent up to now is 412.6 secs Computing kpt #: 239 total cpu time spent up to now is 414.3 secs Computing kpt #: 240 total cpu time spent up to now is 416.0 secs Computing kpt #: 241 total cpu time spent up to now is 417.8 secs Computing kpt #: 242 total cpu time spent up to now is 419.5 secs Computing kpt #: 243 total cpu time spent up to now is 421.2 secs Computing kpt #: 244 total cpu time spent up to now is 422.9 secs Computing kpt #: 245 total cpu time spent up to now is 424.7 secs Computing kpt #: 246 total cpu time spent up to now is 426.2 secs Computing kpt #: 247 total cpu time spent up to now is 427.8 secs Computing kpt #: 248 total cpu time spent up to now is 429.4 secs Computing kpt #: 249 total cpu time spent up to now is 431.1 secs Computing kpt #: 250 total cpu time spent up to now is 432.9 secs Computing kpt #: 251 total cpu time spent up to now is 434.6 secs Computing kpt #: 252 total cpu time spent up to now is 436.4 secs Computing kpt #: 253 total cpu time spent up to now is 438.2 secs Computing kpt #: 254 total cpu time spent up to now is 439.9 secs Computing kpt #: 255 total cpu time spent up to now is 441.7 secs Computing kpt #: 256 total cpu time spent up to now is 443.4 secs Computing kpt #: 257 total cpu time spent up to now is 445.2 secs Computing kpt #: 258 total cpu time spent up to now is 446.9 secs Computing kpt #: 259 total cpu time spent up to now is 448.7 secs Computing kpt #: 260 total cpu time spent up to now is 450.5 secs Computing kpt #: 261 total cpu time spent up to now is 452.4 secs Computing kpt #: 262 total cpu time spent up to now is 454.1 secs Computing kpt #: 263 total cpu time spent up to now is 455.8 secs Computing kpt #: 264 total cpu time spent up to now is 457.6 secs Computing kpt #: 265 total cpu time spent up to now is 459.2 secs Computing kpt #: 266 total cpu time spent up to now is 460.8 secs Computing kpt #: 267 total cpu time spent up to now is 462.3 secs Computing kpt #: 268 total cpu time spent up to now is 463.8 secs Computing kpt #: 269 total cpu time spent up to now is 465.4 secs Computing kpt #: 270 total cpu time spent up to now is 466.9 secs Computing kpt #: 271 total cpu time spent up to now is 468.5 secs Computing kpt #: 272 total cpu time spent up to now is 470.0 secs Computing kpt #: 273 total cpu time spent up to now is 471.6 secs Computing kpt #: 274 total cpu time spent up to now is 473.3 secs Computing kpt #: 275 total cpu time spent up to now is 475.0 secs Computing kpt #: 276 total cpu time spent up to now is 476.7 secs Computing kpt #: 277 total cpu time spent up to now is 478.5 secs Computing kpt #: 278 total cpu time spent up to now is 480.2 secs Computing kpt #: 279 total cpu time spent up to now is 481.9 secs Computing kpt #: 280 total cpu time spent up to now is 483.7 secs Computing kpt #: 281 total cpu time spent up to now is 485.4 secs Computing kpt #: 282 total cpu time spent up to now is 487.1 secs Computing kpt #: 283 total cpu time spent up to now is 488.8 secs Computing kpt #: 284 total cpu time spent up to now is 490.4 secs Computing kpt #: 285 total cpu time spent up to now is 492.1 secs Computing kpt #: 286 total cpu time spent up to now is 493.8 secs Computing kpt #: 287 total cpu time spent up to now is 495.5 secs Computing kpt #: 288 total cpu time spent up to now is 497.2 secs Computing kpt #: 289 total cpu time spent up to now is 498.9 secs Computing kpt #: 290 total cpu time spent up to now is 500.6 secs Computing kpt #: 291 total cpu time spent up to now is 502.3 secs Computing kpt #: 292 total cpu time spent up to now is 504.1 secs Computing kpt #: 293 total cpu time spent up to now is 505.8 secs Computing kpt #: 294 total cpu time spent up to now is 507.6 secs Computing kpt #: 295 total cpu time spent up to now is 509.4 secs Computing kpt #: 296 total cpu time spent up to now is 511.2 secs Computing kpt #: 297 total cpu time spent up to now is 513.0 secs Computing kpt #: 298 total cpu time spent up to now is 514.8 secs Computing kpt #: 299 total cpu time spent up to now is 516.6 secs Computing kpt #: 300 total cpu time spent up to now is 518.4 secs Computing kpt #: 301 total cpu time spent up to now is 520.2 secs Computing kpt #: 302 total cpu time spent up to now is 522.0 secs Computing kpt #: 303 total cpu time spent up to now is 523.7 secs Computing kpt #: 304 total cpu time spent up to now is 525.5 secs Computing kpt #: 305 total cpu time spent up to now is 527.3 secs Computing kpt #: 306 total cpu time spent up to now is 529.0 secs Computing kpt #: 307 total cpu time spent up to now is 530.8 secs Computing kpt #: 308 total cpu time spent up to now is 532.5 secs Computing kpt #: 309 total cpu time spent up to now is 534.3 secs Computing kpt #: 310 total cpu time spent up to now is 536.3 secs Computing kpt #: 311 total cpu time spent up to now is 538.3 secs Computing kpt #: 312 total cpu time spent up to now is 540.1 secs Computing kpt #: 313 total cpu time spent up to now is 541.8 secs Computing kpt #: 314 total cpu time spent up to now is 543.6 secs Computing kpt #: 315 total cpu time spent up to now is 545.3 secs Computing kpt #: 316 total cpu time spent up to now is 547.1 secs Computing kpt #: 317 total cpu time spent up to now is 548.8 secs Computing kpt #: 318 total cpu time spent up to now is 550.6 secs Computing kpt #: 319 total cpu time spent up to now is 552.3 secs Computing kpt #: 320 total cpu time spent up to now is 554.0 secs Computing kpt #: 321 total cpu time spent up to now is 555.8 secs Computing kpt #: 322 total cpu time spent up to now is 557.5 secs Computing kpt #: 323 total cpu time spent up to now is 559.3 secs Computing kpt #: 324 total cpu time spent up to now is 561.0 secs Computing kpt #: 325 total cpu time spent up to now is 562.7 secs Computing kpt #: 326 total cpu time spent up to now is 564.5 secs ethr = 1.92E-08, avg # of iterations = 23.3 total cpu time spent up to now is 564.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16055 PWs) bands (ev): -14.0917 -14.0917 -13.9426 -13.9426 -6.5743 -6.5743 -5.7938 -5.7938 -3.0953 -3.0953 -2.6855 -2.6855 -1.8879 -1.8879 -1.4883 -1.4883 -1.3103 -1.3103 -1.1237 -1.1237 0.2068 0.2068 0.8812 0.8812 1.5962 1.5962 1.9306 1.9306 2.1081 2.1081 2.8815 2.8815 3.0618 3.0618 3.2902 3.2902 3.6198 3.6198 3.6688 3.6688 3.7642 3.7642 3.8077 3.8077 4.0091 4.0091 4.6579 4.6579 5.0309 5.0309 5.9021 5.9021 7.8993 7.8993 8.2855 8.2855 8.4473 8.4473 9.8781 9.8781 10.2572 10.2572 k = 0.0111 0.0134-0.0000 ( 16059 PWs) bands (ev): -14.0916 -14.0916 -13.9426 -13.9426 -6.5745 -6.5745 -5.7941 -5.7941 -3.0951 -3.0951 -2.6854 -2.6854 -1.8876 -1.8876 -1.4876 -1.4876 -1.3102 -1.3102 -1.1239 -1.1239 0.2067 0.2067 0.8812 0.8812 1.5956 1.5956 1.9303 1.9303 2.1081 2.1081 2.8814 2.8814 3.0618 3.0618 3.2900 3.2900 3.6191 3.6191 3.6690 3.6690 3.7641 3.7641 3.8079 3.8079 4.0083 4.0083 4.6562 4.6562 5.0307 5.0307 5.9011 5.9011 7.9007 7.9007 8.2833 8.2833 8.4522 8.4522 9.8766 9.8766 10.2619 10.2619 k = 0.0221 0.0268-0.0000 ( 16065 PWs) bands (ev): -14.0915 -14.0915 -13.9426 -13.9426 -6.5750 -6.5750 -5.7949 -5.7949 -3.0943 -3.0943 -2.6851 -2.6851 -1.8869 -1.8869 -1.4852 -1.4852 -1.3097 -1.3097 -1.1244 -1.1244 0.2064 0.2064 0.8812 0.8812 1.5940 1.5940 1.9295 1.9295 2.1082 2.1082 2.8813 2.8813 3.0618 3.0618 3.2896 3.2896 3.6173 3.6173 3.6697 3.6697 3.7641 3.7641 3.8082 3.8082 4.0062 4.0062 4.6510 4.6510 5.0301 5.0301 5.8980 5.8980 7.9048 7.9048 8.2775 8.2775 8.4659 8.4659 9.8724 9.8724 10.2758 10.2758 k = 0.0332 0.0402-0.0000 ( 16081 PWs) bands (ev): -14.0913 -14.0913 -13.9426 -13.9426 -6.5758 -6.5758 -5.7962 -5.7962 -3.0931 -3.0931 -2.6846 -2.6846 -1.8857 -1.8857 -1.4814 -1.4814 -1.3089 -1.3089 -1.1252 -1.1252 0.2060 0.2060 0.8812 0.8812 1.5912 1.5912 1.9283 1.9283 2.1083 2.1083 2.8811 2.8811 3.0618 3.0618 3.2890 3.2890 3.6143 3.6143 3.6706 3.6706 3.7641 3.7641 3.8087 3.8087 4.0026 4.0026 4.6425 4.6425 5.0291 5.0291 5.8931 5.8931 7.9115 7.9115 8.2704 8.2704 8.4865 8.4865 9.8658 9.8658 10.2982 10.2982 k = 0.0442 0.0536-0.0000 ( 16079 PWs) bands (ev): -14.0911 -14.0911 -13.9427 -13.9427 -6.5768 -6.5768 -5.7980 -5.7980 -3.0913 -3.0913 -2.6839 -2.6839 -1.8842 -1.8842 -1.4760 -1.4760 -1.3078 -1.3078 -1.1263 -1.1263 0.2054 0.2054 0.8812 0.8812 1.5874 1.5874 1.9267 1.9267 2.1085 2.1085 2.8808 2.8808 3.0618 3.0618 3.2881 3.2881 3.6107 3.6107 3.6713 3.6713 3.7643 3.7643 3.8094 3.8094 3.9979 3.9979 4.6306 4.6306 5.0277 5.0277 5.8865 5.8865 7.9208 7.9208 8.2642 8.2642 8.5119 8.5119 9.8575 9.8575 10.3283 10.3283 k = 0.0553 0.0670-0.0000 ( 16079 PWs) bands (ev): -14.0908 -14.0908 -13.9427 -13.9427 -6.5782 -6.5782 -5.8003 -5.8003 -3.0892 -3.0892 -2.6832 -2.6832 -1.8822 -1.8822 -1.4693 -1.4693 -1.3065 -1.3065 -1.1277 -1.1277 0.2047 0.2047 0.8812 0.8812 1.5824 1.5824 1.9247 1.9247 2.1088 2.1088 2.8806 2.8806 3.0618 3.0618 3.2871 3.2871 3.6064 3.6064 3.6716 3.6716 3.7648 3.7648 3.8100 3.8100 3.9920 3.9920 4.6154 4.6154 5.0259 5.0259 5.8784 5.8784 7.9325 7.9325 8.2602 8.2602 8.5410 8.5410 9.8479 9.8479 10.3652 10.3652 k = 0.0663 0.0804-0.0000 ( 16081 PWs) bands (ev): -14.0904 -14.0904 -13.9428 -13.9428 -6.5798 -6.5798 -5.8030 -5.8030 -3.0866 -3.0866 -2.6823 -2.6823 -1.8800 -1.8800 -1.4611 -1.4611 -1.3051 -1.3051 -1.1295 -1.1295 0.2038 0.2038 0.8812 0.8812 1.5763 1.5763 1.9225 1.9225 2.1092 2.1092 2.8803 2.8803 3.0620 3.0620 3.2858 3.2858 3.6019 3.6019 3.6714 3.6714 3.7657 3.7657 3.8107 3.8107 3.9854 3.9854 4.5969 4.5969 5.0238 5.0238 5.8690 5.8690 7.9465 7.9465 8.2595 8.2595 8.5732 8.5732 9.8375 9.8375 10.4077 10.4077 k = 0.0774 0.0938-0.0000 ( 16089 PWs) bands (ev): -14.0900 -14.0900 -13.9428 -13.9428 -6.5816 -6.5816 -5.8061 -5.8061 -3.0838 -3.0838 -2.6814 -2.6814 -1.8776 -1.8776 -1.4517 -1.4517 -1.3035 -1.3035 -1.1315 -1.1315 0.2027 0.2027 0.8813 0.8813 1.5690 1.5690 1.9203 1.9203 2.1097 2.1097 2.8802 2.8802 3.0622 3.0622 3.2845 3.2845 3.5971 3.5971 3.6704 3.6704 3.7671 3.7671 3.8113 3.8113 3.9780 3.9780 4.5754 4.5754 5.0213 5.0213 5.8588 5.8588 7.9626 7.9626 8.2626 8.2626 8.6082 8.6082 9.8265 9.8265 10.4548 10.4548 k = 0.0884 0.1072-0.0000 ( 16101 PWs) bands (ev): -14.0895 -14.0895 -13.9429 -13.9429 -6.5836 -6.5836 -5.8095 -5.8095 -3.0806 -3.0806 -2.6804 -2.6804 -1.8750 -1.8750 -1.4412 -1.4412 -1.3018 -1.3018 -1.1337 -1.1337 0.2016 0.2016 0.8814 0.8814 1.5606 1.5606 1.9180 1.9180 2.1102 2.1102 2.8803 2.8803 3.0625 3.0625 3.2832 3.2832 3.5922 3.5922 3.6687 3.6687 3.7688 3.7688 3.8117 3.8117 3.9702 3.9702 4.5509 4.5509 5.0186 5.0186 5.8479 5.8479 7.9807 7.9807 8.2699 8.2699 8.6459 8.6459 9.8152 9.8152 10.5052 10.5052 k = 0.0995 0.1206-0.0000 ( 16093 PWs) bands (ev): -14.0889 -14.0889 -13.9430 -13.9430 -6.5857 -6.5857 -5.8131 -5.8131 -3.0771 -3.0771 -2.6795 -2.6795 -1.8723 -1.8723 -1.4297 -1.4297 -1.3002 -1.3002 -1.1362 -1.1362 0.2003 0.2003 0.8815 0.8815 1.5512 1.5512 1.9158 1.9158 2.1110 2.1110 2.8805 2.8805 3.0630 3.0630 3.2818 3.2818 3.5874 3.5874 3.6663 3.6663 3.7709 3.7709 3.8121 3.8121 3.9623 3.9623 4.5239 4.5239 5.0156 5.0156 5.8368 5.8368 8.0005 8.0005 8.2813 8.2813 8.6865 8.6865 9.8036 9.8036 10.5571 10.5571 k = 0.1105 0.1340-0.0000 ( 16085 PWs) bands (ev): -14.0883 -14.0883 -13.9431 -13.9431 -6.5878 -6.5878 -5.8170 -5.8170 -3.0735 -3.0735 -2.6787 -2.6787 -1.8696 -1.8696 -1.4175 -1.4175 -1.2986 -1.2986 -1.1390 -1.1390 0.1989 0.1989 0.8817 0.8817 1.5409 1.5409 1.9139 1.9139 2.1118 2.1118 2.8811 2.8811 3.0637 3.0637 3.2805 3.2805 3.5827 3.5827 3.6633 3.6633 3.7732 3.7732 3.8123 3.8123 3.9543 3.9543 4.4945 4.4945 5.0125 5.0125 5.8257 5.8257 8.0219 8.0219 8.2968 8.2968 8.7303 8.7303 9.7918 9.7918 10.6083 10.6083 k = 0.1216 0.1474-0.0000 ( 16077 PWs) bands (ev): -14.0877 -14.0877 -13.9432 -13.9432 -6.5900 -6.5900 -5.8209 -5.8209 -3.0698 -3.0698 -2.6781 -2.6781 -1.8669 -1.8669 -1.4048 -1.4048 -1.2970 -1.2970 -1.1420 -1.1420 0.1974 0.1974 0.8819 0.8819 1.5297 1.5297 1.9123 1.9123 2.1127 2.1127 2.8819 2.8819 3.0646 3.0646 3.2792 3.2792 3.5782 3.5782 3.6597 3.6597 3.7757 3.7757 3.8123 3.8123 3.9465 3.9465 4.4633 4.4633 5.0092 5.0092 5.8149 5.8149 8.0446 8.0446 8.3163 8.3163 8.7775 8.7775 9.7798 9.7798 10.6561 10.6561 k = 0.1327 0.1608-0.0000 ( 16067 PWs) bands (ev): -14.0870 -14.0870 -13.9433 -13.9433 -6.5922 -6.5922 -5.8250 -5.8250 -3.0659 -3.0659 -2.6776 -2.6776 -1.8644 -1.8644 -1.3920 -1.3920 -1.2954 -1.2954 -1.1452 -1.1452 0.1959 0.1959 0.8822 0.8822 1.5179 1.5179 1.9110 1.9110 2.1138 2.1138 2.8832 2.8832 3.0657 3.0657 3.2780 3.2780 3.5740 3.5740 3.6558 3.6558 3.7782 3.7782 3.8123 3.8123 3.9390 3.9390 4.4306 4.4306 5.0059 5.0059 5.8047 5.8047 8.0685 8.0685 8.3395 8.3395 8.8286 8.8286 9.7676 9.7676 10.6968 10.6968 k = 0.1437 0.1742-0.0000 ( 16079 PWs) bands (ev): -14.0862 -14.0862 -13.9435 -13.9435 -6.5944 -6.5944 -5.8290 -5.8290 -3.0621 -3.0621 -2.6774 -2.6774 -1.8619 -1.8619 -1.3796 -1.3796 -1.2938 -1.2938 -1.1486 -1.1486 0.1944 0.1944 0.8825 0.8825 1.5057 1.5057 1.9102 1.9102 2.1149 2.1149 2.8848 2.8848 3.0671 3.0671 3.2770 3.2770 3.5701 3.5701 3.6517 3.6517 3.7806 3.7806 3.8123 3.8123 3.9321 3.9321 4.3970 4.3970 5.0026 5.0026 5.7953 5.7953 8.0931 8.0931 8.3659 8.3659 8.8840 8.8840 9.7553 9.7553 10.7263 10.7263 k = 0.1548 0.1876-0.0000 ( 16075 PWs) bands (ev): -14.0855 -14.0855 -13.9436 -13.9436 -6.5964 -6.5964 -5.8329 -5.8329 -3.0583 -3.0583 -2.6774 -2.6774 -1.8596 -1.8596 -1.3680 -1.3680 -1.2919 -1.2919 -1.1522 -1.1522 0.1928 0.1928 0.8829 0.8829 1.4934 1.4934 1.9098 1.9098 2.1162 2.1162 2.8869 2.8869 3.0687 3.0687 3.2761 3.2761 3.5667 3.5667 3.6473 3.6473 3.7830 3.7830 3.8122 3.8122 3.9258 3.9258 4.3629 4.3629 4.9993 4.9993 5.7870 5.7870 8.1184 8.1184 8.3953 8.3953 8.9439 8.9439 9.7427 9.7427 10.7402 10.7402 k = 0.1658 0.2010-0.0000 ( 16067 PWs) bands (ev): -14.0847 -14.0847 -13.9438 -13.9438 -6.5983 -6.5983 -5.8368 -5.8368 -3.0547 -3.0547 -2.6778 -2.6778 -1.8575 -1.8575 -1.3580 -1.3580 -1.2895 -1.2895 -1.1561 -1.1561 0.1912 0.1912 0.8835 0.8835 1.4812 1.4812 1.9099 1.9099 2.1175 2.1175 2.8894 2.8894 3.0706 3.0706 3.2754 3.2754 3.5637 3.5637 3.6429 3.6429 3.7853 3.7853 3.8121 3.8121 3.9202 3.9202 4.3289 4.3289 4.9963 4.9963 5.7800 5.7800 8.1441 8.1441 8.4272 8.4272 9.0086 9.0086 9.7299 9.7299 10.7346 10.7346 k = 0.1769 0.2144-0.0000 ( 16061 PWs) bands (ev): -14.0839 -14.0839 -13.9440 -13.9440 -6.5999 -6.5999 -5.8404 -5.8404 -3.0511 -3.0511 -2.6786 -2.6786 -1.8555 -1.8555 -1.3502 -1.3502 -1.2860 -1.2860 -1.1602 -1.1602 0.1896 0.1896 0.8841 0.8841 1.4694 1.4694 1.9104 1.9104 2.1188 2.1188 2.8923 2.8923 3.0727 3.0727 3.2748 3.2748 3.5612 3.5612 3.6385 3.6385 3.7876 3.7876 3.8119 3.8119 3.9155 3.9155 4.2954 4.2954 4.9934 4.9934 5.7743 5.7743 8.1702 8.1702 8.4612 8.4612 9.0782 9.0782 9.7170 9.7170 10.7070 10.7070 k = 0.1879 0.2278-0.0000 ( 16065 PWs) bands (ev): -14.0830 -14.0830 -13.9441 -13.9441 -6.6014 -6.6014 -5.8439 -5.8439 -3.0478 -3.0478 -2.6797 -2.6797 -1.8538 -1.8538 -1.3453 -1.3453 -1.2814 -1.2814 -1.1645 -1.1645 0.1880 0.1880 0.8848 0.8848 1.4583 1.4583 1.9113 1.9113 2.1201 2.1201 2.8955 2.8955 3.0751 3.0751 3.2745 3.2745 3.5593 3.5593 3.6342 3.6342 3.7900 3.7900 3.8117 3.8117 3.9118 3.9118 4.2629 4.2629 4.9908 4.9908 5.7702 5.7702 8.1967 8.1967 8.4970 8.4970 9.1528 9.1528 9.7038 9.7038 10.6566 10.6566 k = 0.1990 0.2413-0.0000 ( 16063 PWs) bands (ev): -14.0822 -14.0822 -13.9443 -13.9443 -6.6026 -6.6026 -5.8470 -5.8470 -3.0447 -3.0447 -2.6813 -2.6813 -1.8523 -1.8523 -1.3433 -1.3433 -1.2758 -1.2758 -1.1692 -1.1692 0.1865 0.1865 0.8857 0.8857 1.4483 1.4483 1.9126 1.9126 2.1214 2.1214 2.8990 2.8990 3.0776 3.0776 3.2744 3.2744 3.5579 3.5579 3.6300 3.6300 3.7926 3.7926 3.8114 3.8114 3.9093 3.9093 4.2318 4.2318 4.9884 4.9884 5.7677 5.7677 8.2235 8.2235 8.5342 8.5342 9.2321 9.2321 9.6905 9.6905 10.5850 10.5850 k = 0.2100 0.2547-0.0000 ( 16051 PWs) bands (ev): -14.0813 -14.0813 -13.9445 -13.9445 -6.6034 -6.6034 -5.8498 -5.8498 -3.0418 -3.0418 -2.6833 -2.6833 -1.8510 -1.8510 -1.3438 -1.3438 -1.2699 -1.2699 -1.1741 -1.1741 0.1850 0.1850 0.8867 0.8867 1.4397 1.4397 1.9142 1.9142 2.1227 2.1227 2.9028 2.9028 3.0803 3.0803 3.2746 3.2746 3.5571 3.5571 3.6261 3.6261 3.7953 3.7953 3.8110 3.8110 3.9081 3.9081 4.2024 4.2024 4.9865 4.9865 5.7669 5.7669 8.2507 8.2507 8.5726 8.5726 9.3158 9.3158 9.6770 9.6770 10.4953 10.4953 k = 0.2211 0.2681-0.0000 ( 16053 PWs) bands (ev): -14.0805 -14.0805 -13.9448 -13.9448 -6.6040 -6.6040 -5.8523 -5.8523 -3.0393 -3.0393 -2.6857 -2.6857 -1.8499 -1.8499 -1.3465 -1.3465 -1.2644 -1.2644 -1.1792 -1.1792 0.1836 0.1836 0.8878 0.8878 1.4326 1.4326 1.9161 1.9161 2.1239 2.1239 2.9067 2.9067 3.0830 3.0830 3.2750 3.2750 3.5569 3.5569 3.6224 3.6224 3.7979 3.7979 3.8108 3.8108 3.9087 3.9087 4.1751 4.1751 4.9849 4.9849 5.7680 5.7680 8.2782 8.2782 8.6119 8.6119 9.4035 9.4035 9.6634 9.6634 10.3915 10.3915 k = 0.2321 0.2815-0.0000 ( 16057 PWs) bands (ev): -14.0796 -14.0796 -13.9450 -13.9450 -6.6042 -6.6042 -5.8543 -5.8543 -3.0371 -3.0371 -2.6886 -2.6886 -1.8490 -1.8490 -1.3509 -1.3509 -1.2599 -1.2599 -1.1846 -1.1846 0.1823 0.1823 0.8891 0.8891 1.4272 1.4272 1.9183 1.9183 2.1250 2.1250 2.9108 2.9108 3.0858 3.0858 3.2757 3.2757 3.5572 3.5572 3.6190 3.6190 3.7997 3.7997 3.8115 3.8115 3.9113 3.9113 4.1499 4.1499 4.9838 4.9838 5.7708 5.7708 8.3062 8.3062 8.6521 8.6521 9.4945 9.4945 9.6496 9.6496 10.2778 10.2778 k = 0.2432 0.2949-0.0000 ( 16035 PWs) bands (ev): -14.0787 -14.0787 -13.9452 -13.9452 -6.6041 -6.6041 -5.8560 -5.8560 -3.0352 -3.0352 -2.6919 -2.6919 -1.8483 -1.8483 -1.3566 -1.3566 -1.2568 -1.2568 -1.1901 -1.1901 0.1810 0.1810 0.8905 0.8905 1.4239 1.4239 1.9208 1.9208 2.1259 2.1259 2.9149 2.9149 3.0885 3.0885 3.2766 3.2766 3.5580 3.5580 3.6159 3.6159 3.7997 3.7997 3.8138 3.8138 3.9164 3.9164 4.1271 4.1271 4.9831 4.9831 5.7754 5.7754 8.3346 8.3346 8.6931 8.6931 9.5870 9.5870 9.6366 9.6366 10.1580 10.1580 k = 0.2542 0.3083-0.0000 ( 16041 PWs) bands (ev): -14.0779 -14.0779 -13.9455 -13.9455 -6.6036 -6.6036 -5.8573 -5.8573 -3.0337 -3.0337 -2.6957 -2.6957 -1.8477 -1.8477 -1.3636 -1.3636 -1.2555 -1.2555 -1.1958 -1.1958 0.1799 0.1799 0.8921 0.8921 1.4226 1.4226 1.9234 1.9234 2.1268 2.1268 2.9190 2.9190 3.0911 3.0911 3.2778 3.2778 3.5592 3.5592 3.6132 3.6132 3.7981 3.7981 3.8173 3.8173 3.9244 3.9244 4.1066 4.1066 4.9829 4.9829 5.7819 5.7819 8.3635 8.3635 8.7348 8.7348 9.6188 9.6188 9.6850 9.6850 10.0356 10.0356 k = 0.2653 0.3217-0.0000 ( 16049 PWs) bands (ev): -14.0771 -14.0771 -13.9457 -13.9457 -6.6028 -6.6028 -5.8581 -5.8581 -3.0325 -3.0325 -2.6999 -2.6999 -1.8474 -1.8474 -1.3714 -1.3714 -1.2562 -1.2562 -1.2016 -1.2016 0.1789 0.1789 0.8938 0.8938 1.4233 1.4233 1.9262 1.9262 2.1274 2.1274 2.9231 2.9231 3.0934 3.0934 3.2792 3.2792 3.5608 3.5608 3.6108 3.6108 3.7955 3.7955 3.8213 3.8213 3.9358 3.9358 4.0885 4.0885 4.9832 4.9832 5.7902 5.7902 8.3927 8.3927 8.7773 8.7773 9.6035 9.6035 9.7759 9.7759 9.9173 9.9173 k = 0.2764 0.3351-0.0000 ( 16059 PWs) bands (ev): -14.0763 -14.0763 -13.9460 -13.9460 -6.6016 -6.6016 -5.8585 -5.8585 -3.0317 -3.0317 -2.7046 -2.7046 -1.8472 -1.8472 -1.3802 -1.3802 -1.2590 -1.2590 -1.2074 -1.2074 0.1779 0.1779 0.8956 0.8956 1.4262 1.4262 1.9292 1.9292 2.1279 2.1279 2.9271 2.9271 3.0954 3.0954 3.2809 3.2809 3.5629 3.5629 3.6087 3.6087 3.7923 3.7923 3.8252 3.8252 3.9507 3.9507 4.0727 4.0727 4.9840 4.9840 5.8003 5.8003 8.4222 8.4222 8.8204 8.8204 9.5841 9.5841 9.7757 9.7757 9.8942 9.8942 k = 0.2874 0.3485-0.0000 ( 16057 PWs) bands (ev): -14.0755 -14.0755 -13.9462 -13.9462 -6.6000 -6.6000 -5.8585 -5.8585 -3.0313 -3.0313 -2.7096 -2.7096 -1.8471 -1.8471 -1.3896 -1.3896 -1.2638 -1.2638 -1.2133 -1.2133 0.1771 0.1771 0.8975 0.8975 1.4310 1.4310 1.9322 1.9322 2.1282 2.1282 2.9312 2.9312 3.0972 3.0972 3.2828 3.2828 3.5652 3.5652 3.6069 3.6069 3.7885 3.7885 3.8290 3.8290 3.9691 3.9691 4.0592 4.0592 4.9853 4.9853 5.8121 5.8121 8.4518 8.4518 8.8643 8.8643 9.5522 9.5522 9.6767 9.6767 9.9833 9.9833 k = 0.2985 0.3619-0.0000 ( 16049 PWs) bands (ev): -14.0747 -14.0747 -13.9465 -13.9465 -6.5982 -6.5982 -5.8581 -5.8581 -3.0311 -3.0311 -2.7151 -2.7151 -1.8471 -1.8471 -1.3996 -1.3996 -1.2705 -1.2705 -1.2191 -1.2191 0.1763 0.1763 0.8995 0.8995 1.4377 1.4377 1.9355 1.9355 2.1283 2.1283 2.9352 2.9352 3.0987 3.0987 3.2848 3.2848 3.5679 3.5679 3.6054 3.6054 3.7845 3.7845 3.8325 3.8325 3.9903 3.9903 4.0482 4.0482 4.9871 4.9871 5.8255 5.8255 8.4813 8.4813 8.9089 8.9089 9.4820 9.4820 9.6126 9.6126 10.0763 10.0763 k = 0.3095 0.3753-0.0000 ( 16045 PWs) bands (ev): -14.0740 -14.0740 -13.9467 -13.9467 -6.5960 -6.5960 -5.8574 -5.8574 -3.0313 -3.0313 -2.7208 -2.7208 -1.8473 -1.8473 -1.4100 -1.4100 -1.2791 -1.2791 -1.2248 -1.2248 0.1757 0.1757 0.9016 0.9016 1.4461 1.4461 1.9388 1.9388 2.1283 2.1283 2.9392 2.9392 3.1000 3.1000 3.2871 3.2871 3.5709 3.5709 3.6042 3.6042 3.7801 3.7801 3.8358 3.8358 4.0116 4.0116 4.0420 4.0420 4.9894 4.9894 5.8405 5.8405 8.5104 8.5104 8.9542 8.9542 9.3791 9.3791 9.5842 9.5842 10.1668 10.1668 k = 0.3206 0.3887-0.0000 ( 16041 PWs) bands (ev): -14.0732 -14.0732 -13.9470 -13.9470 -6.5936 -6.5936 -5.8563 -5.8563 -3.0318 -3.0318 -2.7268 -2.7268 -1.8475 -1.8475 -1.4207 -1.4207 -1.2891 -1.2891 -1.2306 -1.2306 0.1751 0.1751 0.9037 0.9037 1.4558 1.4558 1.9422 1.9422 2.1282 2.1282 2.9432 2.9432 3.1009 3.1009 3.2894 3.2894 3.5741 3.5741 3.6032 3.6032 3.7756 3.7756 3.8389 3.8389 4.0195 4.0195 4.0537 4.0537 4.9921 4.9921 5.8569 5.8569 8.5385 8.5385 9.0000 9.0000 9.2698 9.2698 9.5668 9.5668 10.2528 10.2528 k = 0.3316 0.4021-0.0000 ( 16043 PWs) bands (ev): -14.0726 -14.0726 -13.9473 -13.9473 -6.5910 -6.5910 -5.8549 -5.8549 -3.0326 -3.0326 -2.7331 -2.7331 -1.8478 -1.8478 -1.4316 -1.4316 -1.3005 -1.3005 -1.2362 -1.2362 0.1747 0.1747 0.9059 0.9059 1.4668 1.4668 1.9456 1.9456 2.1279 2.1279 2.9473 2.9473 3.1017 3.1017 3.2919 3.2919 3.5777 3.5777 3.6025 3.6025 3.7709 3.7709 3.8421 3.8421 4.0152 4.0152 4.0811 4.0811 4.9953 4.9953 5.8745 5.8745 8.5649 8.5649 9.0460 9.0460 9.1634 9.1634 9.5531 9.5531 10.3327 10.3327 k = 0.3427 0.4155-0.0000 ( 16033 PWs) bands (ev): -14.0719 -14.0719 -13.9475 -13.9475 -6.5882 -6.5882 -5.8533 -5.8533 -3.0335 -3.0335 -2.7395 -2.7395 -1.8481 -1.8481 -1.4425 -1.4425 -1.3130 -1.3130 -1.2417 -1.2417 0.1743 0.1743 0.9080 0.9080 1.4786 1.4786 1.9492 1.9492 2.1275 2.1275 2.9513 2.9513 3.1024 3.1024 3.2945 3.2945 3.5815 3.5815 3.6020 3.6020 3.7661 3.7661 3.8453 3.8453 4.0098 4.0098 4.1126 4.1126 4.9989 4.9989 5.8932 5.8932 8.5882 8.5882 9.0570 9.0570 9.0985 9.0985 9.5411 9.5411 10.4051 10.4051 k = 0.3537 0.4289-0.0000 ( 16069 PWs) bands (ev): -14.0713 -14.0713 -13.9478 -13.9478 -6.5852 -6.5852 -5.8514 -5.8514 -3.0347 -3.0347 -2.7460 -2.7460 -1.8485 -1.8485 -1.4532 -1.4532 -1.3264 -1.3264 -1.2470 -1.2470 0.1740 0.1740 0.9102 0.9102 1.4911 1.4911 1.9527 1.9527 2.1270 2.1270 2.9553 2.9553 3.1029 3.1029 3.2971 3.2971 3.5855 3.5855 3.6017 3.6017 3.7612 3.7612 3.8486 3.8486 4.0048 4.0048 4.1460 4.1460 5.0028 5.0028 5.9128 5.9128 8.6057 8.6057 8.9687 8.9687 9.1429 9.1429 9.5304 9.5304 10.4686 10.4686 k = 0.3648 0.4423-0.0000 ( 16077 PWs) bands (ev): -14.0708 -14.0708 -13.9480 -13.9480 -6.5822 -6.5822 -5.8494 -5.8494 -3.0360 -3.0360 -2.7526 -2.7526 -1.8489 -1.8489 -1.4637 -1.4637 -1.3405 -1.3405 -1.2521 -1.2521 0.1737 0.1737 0.9123 0.9123 1.5038 1.5038 1.9563 1.9563 2.1265 2.1265 2.9593 2.9593 3.1033 3.1033 3.2997 3.2997 3.5897 3.5897 3.6016 3.6016 3.7561 3.7561 3.8519 3.8519 4.0004 4.0004 4.1801 4.1801 5.0070 5.0070 5.9331 5.9331 8.6118 8.6118 8.8933 8.8933 9.1904 9.1904 9.5207 9.5207 10.5220 10.5220 k = 0.3758 0.4557-0.0000 ( 16067 PWs) bands (ev): -14.0702 -14.0702 -13.9482 -13.9482 -6.5791 -6.5791 -5.8472 -5.8472 -3.0373 -3.0373 -2.7591 -2.7591 -1.8493 -1.8493 -1.4736 -1.4736 -1.3549 -1.3549 -1.2569 -1.2569 0.1736 0.1736 0.9143 0.9143 1.5165 1.5165 1.9599 1.9599 2.1259 2.1259 2.9633 2.9633 3.1036 3.1036 3.3023 3.3023 3.5939 3.5939 3.6018 3.6018 3.7510 3.7510 3.8553 3.8553 3.9968 3.9968 4.2145 4.2145 5.0114 5.0114 5.9536 5.9536 8.5977 8.5977 8.8427 8.8427 9.2380 9.2380 9.5121 9.5121 10.5645 10.5645 k = 0.3869 0.4691-0.0000 ( 16063 PWs) bands (ev): -14.0698 -14.0698 -13.9484 -13.9484 -6.5761 -6.5761 -5.8450 -5.8450 -3.0388 -3.0388 -2.7656 -2.7656 -1.8497 -1.8497 -1.4829 -1.4829 -1.3694 -1.3694 -1.2613 -1.2613 0.1735 0.1735 0.9163 0.9163 1.5290 1.5290 1.9634 1.9634 2.1254 2.1254 2.9671 2.9671 3.1040 3.1040 3.3049 3.3049 3.5977 3.5977 3.6027 3.6027 3.7458 3.7458 3.8587 3.8587 3.9937 3.9937 4.2483 4.2483 5.0159 5.0159 5.9743 5.9743 8.5586 8.5586 8.8217 8.8217 9.2852 9.2852 9.5046 9.5046 10.5959 10.5959 k = 0.3980 0.4825-0.0000 ( 16070 PWs) bands (ev): -14.0693 -14.0693 -13.9486 -13.9486 -6.5731 -6.5731 -5.8428 -5.8428 -3.0403 -3.0403 -2.7718 -2.7718 -1.8501 -1.8501 -1.4914 -1.4914 -1.3838 -1.3838 -1.2654 -1.2654 0.1734 0.1734 0.9181 0.9181 1.5409 1.5409 1.9668 1.9668 2.1248 2.1248 2.9709 2.9709 3.1043 3.1043 3.3074 3.3074 3.6000 3.6000 3.6054 3.6054 3.7406 3.7406 3.8621 3.8621 3.9911 3.9911 4.2811 4.2811 5.0205 5.0205 5.9947 5.9947 8.5035 8.5035 8.8219 8.8219 9.3312 9.3312 9.4986 9.4986 10.6164 10.6164 k = 0.4090 0.4959-0.0000 ( 16078 PWs) bands (ev): -14.0689 -14.0689 -13.9488 -13.9488 -6.5703 -6.5703 -5.8407 -5.8407 -3.0417 -3.0417 -2.7776 -2.7776 -1.8505 -1.8505 -1.4991 -1.4991 -1.3978 -1.3978 -1.2692 -1.2692 0.1734 0.1734 0.9199 0.9199 1.5522 1.5522 1.9701 1.9701 2.1243 2.1243 2.9744 2.9744 3.1046 3.1046 3.3097 3.3097 3.6008 3.6008 3.6097 3.6097 3.7354 3.7354 3.8655 3.8655 3.9890 3.9890 4.3123 4.3123 5.0250 5.0250 6.0144 6.0144 8.4436 8.4436 8.8320 8.8320 9.3746 9.3746 9.4950 9.4950 10.6270 10.6270 k = 0.4201 0.5093-0.0000 ( 16068 PWs) bands (ev): -14.0686 -14.0686 -13.9490 -13.9490 -6.5676 -6.5676 -5.8386 -5.8386 -3.0431 -3.0431 -2.7831 -2.7831 -1.8508 -1.8508 -1.5058 -1.5058 -1.4111 -1.4111 -1.2725 -1.2725 0.1734 0.1734 0.9214 0.9214 1.5625 1.5625 1.9733 1.9733 2.1238 2.1238 2.9777 2.9777 3.1048 3.1048 3.3119 3.3119 3.6013 3.6013 3.6144 3.6144 3.7302 3.7302 3.8686 3.8686 3.9873 3.9873 4.3414 4.3414 5.0294 5.0294 6.0331 6.0331 8.3854 8.3854 8.8457 8.8457 9.4125 9.4125 9.4961 9.4961 10.6291 10.6291 k = 0.4201 0.5093-0.0000 ( 16068 PWs) bands (ev): -14.0686 -14.0686 -13.9490 -13.9490 -6.5676 -6.5676 -5.8386 -5.8386 -3.0431 -3.0431 -2.7831 -2.7831 -1.8508 -1.8508 -1.5058 -1.5058 -1.4111 -1.4111 -1.2725 -1.2725 0.1734 0.1734 0.9214 0.9214 1.5625 1.5625 1.9733 1.9733 2.1238 2.1238 2.9777 2.9777 3.1048 3.1048 3.3119 3.3119 3.6013 3.6013 3.6144 3.6144 3.7302 3.7302 3.8686 3.8686 3.9873 3.9873 4.3414 4.3414 5.0294 5.0294 6.0331 6.0331 8.3854 8.3854 8.8457 8.8457 9.4125 9.4125 9.4961 9.4961 10.6291 10.6291 k = 0.4033 0.5093-0.0000 ( 16077 PWs) bands (ev): -14.0688 -14.0688 -13.9489 -13.9489 -6.5693 -6.5693 -5.8397 -5.8397 -3.0422 -3.0422 -2.7798 -2.7798 -1.8503 -1.8503 -1.5018 -1.5018 -1.4029 -1.4029 -1.2708 -1.2708 0.1736 0.1736 0.9205 0.9205 1.5563 1.5563 1.9716 1.9716 2.1240 2.1240 2.9756 2.9756 3.1044 3.1044 3.3106 3.3106 3.6004 3.6004 3.6114 3.6114 3.7335 3.7335 3.8666 3.8666 3.9879 3.9879 4.3239 4.3239 5.0267 5.0267 6.0217 6.0217 8.4218 8.4218 8.8379 8.8379 9.3922 9.3922 9.4946 9.4946 10.6237 10.6237 k = 0.3865 0.5093-0.0000 ( 16062 PWs) bands (ev): -14.0691 -14.0691 -13.9488 -13.9488 -6.5714 -6.5714 -5.8406 -5.8406 -3.0410 -3.0410 -2.7763 -2.7763 -1.8493 -1.8493 -1.4975 -1.4975 -1.3943 -1.3943 -1.2695 -1.2695 0.1744 0.1744 0.9196 0.9196 1.5499 1.5499 1.9704 1.9704 2.1242 2.1242 2.9732 2.9732 3.1036 3.1036 3.3093 3.3093 3.5977 3.5977 3.6094 3.6094 3.7367 3.7367 3.8642 3.8642 3.9876 3.9876 4.3060 4.3060 5.0240 5.0240 6.0096 6.0096 8.4615 8.4615 8.8326 8.8326 9.3736 9.3736 9.4951 9.4951 10.6059 10.6059 k = 0.3697 0.5093-0.0000 ( 16080 PWs) bands (ev): -14.0694 -14.0694 -13.9487 -13.9487 -6.5737 -6.5737 -5.8412 -5.8412 -3.0397 -3.0397 -2.7728 -2.7728 -1.8477 -1.8477 -1.4928 -1.4928 -1.3854 -1.3854 -1.2687 -1.2687 0.1757 0.1757 0.9186 0.9186 1.5433 1.5433 1.9696 1.9696 2.1243 2.1243 2.9704 2.9704 3.1023 3.1023 3.3081 3.3081 3.5924 3.5924 3.6091 3.6091 3.7396 3.7396 3.8614 3.8614 3.9866 3.9866 4.2876 4.2876 5.0212 5.0212 5.9973 5.9973 8.5036 8.5036 8.8304 8.8304 9.3582 9.3582 9.4965 9.4965 10.5768 10.5768 k = 0.3529 0.5093-0.0000 ( 16076 PWs) bands (ev): -14.0698 -14.0698 -13.9485 -13.9485 -6.5763 -6.5763 -5.8415 -5.8415 -3.0381 -3.0381 -2.7691 -2.7691 -1.8455 -1.8455 -1.4877 -1.4877 -1.3763 -1.3763 -1.2684 -1.2684 0.1774 0.1774 0.9177 0.9177 1.5365 1.5365 1.9692 1.9692 2.1244 2.1244 2.9674 2.9674 3.1005 3.1005 3.3069 3.3069 3.5855 3.5855 3.6099 3.6099 3.7418 3.7418 3.8583 3.8583 3.9849 3.9849 4.2690 4.2690 5.0185 5.0185 5.9847 5.9847 8.5468 8.5468 8.8325 8.8325 9.3465 9.3465 9.4985 9.4985 10.5384 10.5384 k = 0.3360 0.5093-0.0000 ( 16068 PWs) bands (ev): -14.0701 -14.0701 -13.9484 -13.9484 -6.5791 -6.5791 -5.8417 -5.8417 -3.0364 -3.0364 -2.7655 -2.7655 -1.8428 -1.8428 -1.4824 -1.4824 -1.3671 -1.3671 -1.2684 -1.2684 0.1796 0.1796 0.9167 0.9167 1.5296 1.5296 1.9692 1.9692 2.1245 2.1245 2.9640 2.9640 3.0984 3.0984 3.3058 3.3058 3.5777 3.5777 3.6114 3.6114 3.7431 3.7431 3.8547 3.8547 3.9827 3.9827 4.2503 4.2503 5.0157 5.0157 5.9723 5.9723 8.5890 8.5890 8.8411 8.8411 9.3384 9.3384 9.5009 9.5009 10.4927 10.4927 k = 0.3192 0.5093-0.0000 ( 16070 PWs) bands (ev): -14.0706 -14.0706 -13.9483 -13.9483 -6.5821 -6.5821 -5.8416 -5.8416 -3.0345 -3.0345 -2.7618 -2.7618 -1.8396 -1.8396 -1.4767 -1.4767 -1.3578 -1.3578 -1.2689 -1.2689 0.1821 0.1821 0.9156 0.9156 1.5225 1.5225 1.9697 1.9697 2.1246 2.1246 2.9604 2.9604 3.0960 3.0960 3.3047 3.3047 3.5693 3.5693 3.6133 3.6133 3.7434 3.7434 3.8506 3.8506 3.9803 3.9803 4.2317 4.2317 5.0130 5.0130 5.9600 5.9600 8.6272 8.6272 8.8588 8.8588 9.3338 9.3338 9.5038 9.5038 10.4418 10.4418 k = 0.3024 0.5093-0.0000 ( 16073 PWs) bands (ev): -14.0710 -14.0710 -13.9481 -13.9481 -6.5852 -6.5852 -5.8413 -5.8413 -3.0325 -3.0325 -2.7582 -2.7582 -1.8360 -1.8360 -1.4708 -1.4708 -1.3487 -1.3487 -1.2696 -1.2696 0.1850 0.1850 0.9145 0.9145 1.5154 1.5154 1.9707 1.9707 2.1248 2.1248 2.9566 2.9566 3.0933 3.0933 3.3038 3.3038 3.5606 3.5606 3.6154 3.6154 3.7426 3.7426 3.8457 3.8457 3.9777 3.9777 4.2133 4.2133 5.0103 5.0103 5.9480 5.9480 8.6586 8.6586 8.8886 8.8886 9.3324 9.3324 9.5074 9.5074 10.3873 10.3873 k = 0.2856 0.5093-0.0000 ( 16077 PWs) bands (ev): -14.0715 -14.0715 -13.9480 -13.9480 -6.5885 -6.5885 -5.8408 -5.8408 -3.0303 -3.0303 -2.7547 -2.7547 -1.8319 -1.8319 -1.4646 -1.4646 -1.3397 -1.3397 -1.2707 -1.2707 0.1882 0.1882 0.9133 0.9133 1.5083 1.5083 1.9720 1.9720 2.1250 2.1250 2.9525 2.9525 3.0904 3.0904 3.3031 3.3031 3.5517 3.5517 3.6178 3.6178 3.7408 3.7408 3.8401 3.8401 3.9751 3.9751 4.1952 4.1952 5.0077 5.0077 5.9366 5.9366 8.6822 8.6822 8.9313 8.9313 9.3336 9.3336 9.5116 9.5116 10.3307 10.3307 k = 0.2688 0.5093-0.0000 ( 16073 PWs) bands (ev): -14.0719 -14.0719 -13.9479 -13.9479 -6.5919 -6.5919 -5.8402 -5.8402 -3.0280 -3.0280 -2.7513 -2.7513 -1.8275 -1.8275 -1.4583 -1.4583 -1.3309 -1.3309 -1.2719 -1.2719 0.1916 0.1916 0.9120 0.9120 1.5012 1.5012 1.9736 1.9736 2.1254 2.1254 2.9483 2.9483 3.0873 3.0873 3.3025 3.3025 3.5428 3.5428 3.6201 3.6201 3.7379 3.7379 3.8336 3.8336 3.9729 3.9729 4.1777 4.1777 5.0051 5.0051 5.9257 5.9257 8.6997 8.6997 8.9850 8.9850 9.3373 9.3373 9.5168 9.5168 10.2729 10.2729 k = 0.2520 0.5093-0.0000 ( 16068 PWs) bands (ev): -14.0724 -14.0724 -13.9477 -13.9477 -6.5953 -6.5953 -5.8395 -5.8395 -3.0257 -3.0257 -2.7480 -2.7480 -1.8228 -1.8228 -1.4520 -1.4520 -1.3225 -1.3225 -1.2732 -1.2732 0.1952 0.1952 0.9106 0.9106 1.4942 1.4942 1.9756 1.9756 2.1259 2.1259 2.9438 2.9438 3.0842 3.0842 3.3021 3.3021 3.5340 3.5340 3.6224 3.6224 3.7340 3.7340 3.8264 3.8264 3.9709 3.9709 4.1606 4.1606 5.0026 5.0026 5.9156 5.9156 8.7137 8.7137 9.0466 9.0466 9.3430 9.3430 9.5230 9.5230 10.2150 10.2150 k = 0.2352 0.5093-0.0000 ( 16075 PWs) bands (ev): -14.0729 -14.0729 -13.9476 -13.9476 -6.5987 -6.5987 -5.8386 -5.8386 -3.0233 -3.0233 -2.7449 -2.7449 -1.8178 -1.8178 -1.4457 -1.4457 -1.3145 -1.3145 -1.2745 -1.2745 0.1989 0.1989 0.9090 0.9090 1.4874 1.4874 1.9778 1.9778 2.1266 2.1266 2.9392 2.9392 3.0811 3.0811 3.3020 3.3020 3.5253 3.5253 3.6244 3.6244 3.7292 3.7292 3.8188 3.8188 3.9694 3.9694 4.1441 4.1441 5.0002 5.0002 5.9062 5.9062 8.7262 8.7262 9.1131 9.1131 9.3512 9.3512 9.5303 9.5303 10.1574 10.1574 k = 0.2184 0.5093-0.0000 ( 16077 PWs) bands (ev): -14.0733 -14.0733 -13.9475 -13.9475 -6.6021 -6.6021 -5.8377 -5.8377 -3.0209 -3.0209 -2.7420 -2.7420 -1.8127 -1.8127 -1.4395 -1.4395 -1.3072 -1.3072 -1.2756 -1.2756 0.2026 0.2026 0.9074 0.9074 1.4807 1.4807 1.9803 1.9803 2.1275 2.1275 2.9346 2.9346 3.0780 3.0780 3.3022 3.3022 3.5168 3.5168 3.6258 3.6258 3.7238 3.7238 3.8110 3.8110 3.9683 3.9683 4.1283 4.1283 4.9979 4.9979 5.8976 5.8976 8.7386 8.7386 9.1810 9.1810 9.3631 9.3631 9.5390 9.5390 10.1008 10.1008 k = 0.2016 0.5093-0.0000 ( 16086 PWs) bands (ev): -14.0738 -14.0738 -13.9473 -13.9473 -6.6054 -6.6054 -5.8367 -5.8367 -3.0185 -3.0185 -2.7392 -2.7392 -1.8074 -1.8074 -1.4335 -1.4335 -1.3005 -1.3005 -1.2764 -1.2764 0.2063 0.2063 0.9056 0.9056 1.4743 1.4743 1.9828 1.9828 2.1287 2.1287 2.9299 2.9299 3.0751 3.0751 3.3026 3.3026 3.5084 3.5084 3.6263 3.6263 3.7181 3.7181 3.8033 3.8033 3.9676 3.9676 4.1131 4.1131 4.9957 4.9957 5.8898 5.8898 8.7516 8.7516 9.2445 9.2445 9.3826 9.3826 9.5491 9.5491 10.0455 10.0455 k = 0.1848 0.5093-0.0000 ( 16088 PWs) bands (ev): -14.0742 -14.0742 -13.9472 -13.9472 -6.6086 -6.6086 -5.8357 -5.8357 -3.0162 -3.0162 -2.7367 -2.7367 -1.8022 -1.8022 -1.4278 -1.4278 -1.2949 -1.2949 -1.2765 -1.2765 0.2098 0.2098 0.9037 0.9037 1.4681 1.4681 1.9854 1.9854 2.1302 2.1302 2.9252 2.9252 3.0724 3.0724 3.3035 3.3035 3.5002 3.5002 3.6256 3.6256 3.7126 3.7126 3.7960 3.7960 3.9672 3.9672 4.0987 4.0987 4.9937 4.9937 5.8828 5.8828 8.7656 8.7656 9.2935 9.2935 9.4184 9.4184 9.5611 9.5611 9.9919 9.9919 k = 0.1680 0.5093-0.0000 ( 16096 PWs) bands (ev): -14.0747 -14.0747 -13.9471 -13.9471 -6.6117 -6.6117 -5.8346 -5.8346 -3.0140 -3.0140 -2.7343 -2.7343 -1.7970 -1.7970 -1.4225 -1.4225 -1.2906 -1.2906 -1.2755 -1.2755 0.2133 0.2133 0.9018 0.9018 1.4624 1.4624 1.9879 1.9879 2.1319 2.1319 2.9206 2.9206 3.0699 3.0699 3.3047 3.3047 3.4920 3.4920 3.6235 3.6235 3.7078 3.7078 3.7893 3.7893 3.9671 3.9671 4.0850 4.0850 4.9917 4.9917 5.8767 5.8767 8.7805 8.7805 9.3223 9.3223 9.4737 9.4737 9.5760 9.5760 9.9403 9.9403 k = 0.1512 0.5093-0.0000 ( 16100 PWs) bands (ev): -14.0750 -14.0750 -13.9470 -13.9470 -6.6146 -6.6146 -5.8336 -5.8336 -3.0118 -3.0118 -2.7322 -2.7322 -1.7920 -1.7920 -1.4177 -1.4177 -1.2879 -1.2879 -1.2733 -1.2733 0.2166 0.2166 0.8998 0.8998 1.4570 1.4570 1.9903 1.9903 2.1338 2.1338 2.9161 2.9161 3.0677 3.0677 3.3062 3.3062 3.4838 3.4838 3.6197 3.6197 3.7042 3.7042 3.7833 3.7833 3.9673 3.9673 4.0720 4.0720 4.9899 4.9899 5.8713 5.8713 8.7961 8.7961 9.3390 9.3390 9.5344 9.5344 9.5989 9.5989 9.8911 9.8911 k = 0.1344 0.5093-0.0000 ( 16094 PWs) bands (ev): -14.0754 -14.0754 -13.9470 -13.9470 -6.6172 -6.6172 -5.8327 -5.8327 -3.0098 -3.0098 -2.7303 -2.7303 -1.7872 -1.7872 -1.4135 -1.4135 -1.2864 -1.2864 -1.2702 -1.2702 0.2196 0.2196 0.8979 0.8979 1.4520 1.4520 1.9926 1.9926 2.1359 2.1359 2.9119 2.9119 3.0658 3.0658 3.3082 3.3082 3.4757 3.4757 3.6145 3.6145 3.7019 3.7019 3.7780 3.7780 3.9676 3.9676 4.0600 4.0600 4.9883 4.9883 5.8667 5.8667 8.8121 8.8121 9.3509 9.3509 9.5756 9.5756 9.6447 9.6447 9.8456 9.8456 k = 0.1176 0.5093-0.0000 ( 16099 PWs) bands (ev): -14.0757 -14.0757 -13.9469 -13.9469 -6.6197 -6.6197 -5.8318 -5.8318 -3.0080 -3.0080 -2.7286 -2.7286 -1.7827 -1.7827 -1.4098 -1.4098 -1.2853 -1.2853 -1.2670 -1.2670 0.2224 0.2224 0.8960 0.8960 1.4475 1.4475 1.9946 1.9946 2.1380 2.1380 2.9081 2.9081 3.0641 3.0641 3.3106 3.3106 3.4675 3.4675 3.6084 3.6084 3.7008 3.7008 3.7735 3.7735 3.9682 3.9682 4.0488 4.0488 4.9868 4.9868 5.8628 5.8628 8.8281 8.8281 9.3616 9.3616 9.5973 9.5973 9.7026 9.7026 9.8099 9.8099 k = 0.1008 0.5093-0.0000 ( 16095 PWs) bands (ev): -14.0760 -14.0760 -13.9468 -13.9468 -6.6218 -6.6218 -5.8310 -5.8310 -3.0063 -3.0063 -2.7271 -2.7271 -1.7786 -1.7786 -1.4068 -1.4068 -1.2844 -1.2844 -1.2640 -1.2640 0.2248 0.2248 0.8942 0.8942 1.4436 1.4436 1.9964 1.9964 2.1402 2.1402 2.9046 2.9046 3.0627 3.0627 3.3132 3.3132 3.4594 3.4594 3.6020 3.6020 3.7006 3.7006 3.7696 3.7696 3.9690 3.9690 4.0386 4.0386 4.9855 4.9855 5.8595 5.8595 8.8435 8.8435 9.3728 9.3728 9.6134 9.6134 9.7211 9.7211 9.8185 9.8185 k = 0.0840 0.5093-0.0000 ( 16097 PWs) bands (ev): -14.0763 -14.0763 -13.9468 -13.9468 -6.6237 -6.6237 -5.8302 -5.8302 -3.0049 -3.0049 -2.7259 -2.7259 -1.7751 -1.7751 -1.4043 -1.4043 -1.2834 -1.2834 -1.2614 -1.2614 0.2270 0.2270 0.8925 0.8925 1.4402 1.4402 1.9980 1.9980 2.1423 2.1423 2.9015 2.9015 3.0616 3.0616 3.3162 3.3162 3.4515 3.4515 3.5958 3.5958 3.7011 3.7011 3.7663 3.7663 3.9700 3.9700 4.0294 4.0294 4.9843 4.9843 5.8569 5.8569 8.8577 8.8577 9.3854 9.3854 9.6266 9.6266 9.6930 9.6930 9.8727 9.8727 k = 0.0672 0.5093-0.0000 ( 16084 PWs) bands (ev): -14.0765 -14.0765 -13.9467 -13.9467 -6.6252 -6.6252 -5.8296 -5.8296 -3.0037 -3.0037 -2.7249 -2.7249 -1.7720 -1.7720 -1.4024 -1.4024 -1.2825 -1.2825 -1.2592 -1.2592 0.2287 0.2287 0.8911 0.8911 1.4374 1.4374 1.9992 1.9992 2.1442 2.1442 2.8989 2.8989 3.0607 3.0607 3.3192 3.3192 3.4442 3.4442 3.5903 3.5903 3.7019 3.7019 3.7637 3.7637 3.9712 3.9712 4.0214 4.0214 4.9834 4.9834 5.8548 5.8548 8.8701 8.8701 9.4001 9.4001 9.6324 9.6324 9.6630 9.6630 9.9294 9.9294 k = 0.0504 0.5093-0.0000 ( 16094 PWs) bands (ev): -14.0767 -14.0767 -13.9467 -13.9467 -6.6264 -6.6264 -5.8291 -5.8291 -3.0028 -3.0028 -2.7241 -2.7241 -1.7696 -1.7696 -1.4010 -1.4010 -1.2816 -1.2816 -1.2576 -1.2576 0.2301 0.2301 0.8900 0.8900 1.4351 1.4351 2.0002 2.0002 2.1458 2.1458 2.8969 2.8969 3.0600 3.0600 3.3220 3.3220 3.4377 3.4377 3.5859 3.5859 3.7027 3.7027 3.7617 3.7617 3.9724 3.9724 4.0147 4.0147 4.9827 4.9827 5.8532 5.8532 8.8804 8.8804 9.4170 9.4170 9.6112 9.6112 9.6586 9.6586 9.9779 9.9779 k = 0.0336 0.5093-0.0000 ( 16094 PWs) bands (ev): -14.0768 -14.0768 -13.9466 -13.9466 -6.6273 -6.6273 -5.8288 -5.8288 -3.0021 -3.0021 -2.7236 -2.7236 -1.7678 -1.7678 -1.4001 -1.4001 -1.2808 -1.2808 -1.2565 -1.2565 0.2311 0.2311 0.8891 0.8891 1.4335 1.4335 2.0009 2.0009 2.1470 2.1470 2.8954 2.8954 3.0596 3.0596 3.3244 3.3244 3.4325 3.4325 3.5826 3.5826 3.7034 3.7034 3.7602 3.7602 3.9737 3.9737 4.0095 4.0095 4.9821 4.9821 5.8521 5.8521 8.8879 8.8879 9.4356 9.4356 9.5803 9.5803 9.6646 9.6646 10.0144 10.0144 k = 0.0168 0.5093-0.0000 ( 16090 PWs) bands (ev): -14.0769 -14.0769 -13.9466 -13.9466 -6.6278 -6.6278 -5.8286 -5.8286 -3.0017 -3.0017 -2.7233 -2.7233 -1.7667 -1.7667 -1.3995 -1.3995 -1.2803 -1.2803 -1.2559 -1.2559 0.2318 0.2318 0.8886 0.8886 1.4326 1.4326 2.0013 2.0013 2.1478 2.1478 2.8945 2.8945 3.0593 3.0593 3.3261 3.3261 3.4292 3.4292 3.5806 3.5806 3.7039 3.7039 3.7593 3.7593 3.9747 3.9747 4.0061 4.0061 4.9818 4.9818 5.8515 5.8515 8.8926 8.8926 9.4531 9.4531 9.5544 9.5544 9.6692 9.6692 10.0370 10.0370 k = 0.0000 0.5093-0.0000 ( 16094 PWs) bands (ev): -14.0769 -14.0769 -13.9466 -13.9466 -6.6280 -6.6280 -5.8285 -5.8285 -3.0015 -3.0015 -2.7231 -2.7231 -1.7664 -1.7664 -1.3993 -1.3993 -1.2802 -1.2802 -1.2557 -1.2557 0.2320 0.2320 0.8884 0.8884 1.4323 1.4323 2.0014 2.0014 2.1480 2.1480 2.8942 2.8942 3.0592 3.0592 3.3267 3.3267 3.4280 3.4280 3.5799 3.5799 3.7040 3.7040 3.7590 3.7590 3.9751 3.9751 4.0049 4.0049 4.9817 4.9817 5.8512 5.8512 8.8942 8.8942 9.4617 9.4617 9.5430 9.5430 9.6708 9.6708 10.0446 10.0446 k = 0.0000 0.5093-0.0000 ( 16094 PWs) bands (ev): -14.0769 -14.0769 -13.9466 -13.9466 -6.6280 -6.6280 -5.8285 -5.8285 -3.0015 -3.0015 -2.7231 -2.7231 -1.7664 -1.7664 -1.3993 -1.3993 -1.2802 -1.2802 -1.2557 -1.2557 0.2320 0.2320 0.8884 0.8884 1.4323 1.4323 2.0014 2.0014 2.1480 2.1480 2.8942 2.8942 3.0592 3.0592 3.3267 3.3267 3.4280 3.4280 3.5799 3.5799 3.7040 3.7040 3.7590 3.7590 3.9751 3.9751 4.0049 4.0049 4.9817 4.9817 5.8512 5.8512 8.8942 8.8942 9.4617 9.4617 9.5430 9.5430 9.6708 9.6708 10.0446 10.0446 k = 0.0000 0.5093 0.0171 ( 16100 PWs) bands (ev): -14.0768 -14.0768 -13.9468 -13.9468 -6.6273 -6.6273 -5.8296 -5.8296 -3.0012 -3.0012 -2.7234 -2.7234 -1.7660 -1.7660 -1.3993 -1.3993 -1.2832 -1.2832 -1.2518 -1.2518 0.2324 0.2324 0.8896 0.8896 1.4327 1.4327 2.0001 2.0001 2.1476 2.1476 2.8915 2.8915 3.0579 3.0579 3.3160 3.3160 3.4353 3.4353 3.5736 3.5736 3.7047 3.7047 3.7665 3.7665 3.9682 3.9682 4.0176 4.0176 4.9812 4.9812 5.8497 5.8497 8.8979 8.8979 9.4459 9.4459 9.5434 9.5434 9.6824 9.6824 10.0439 10.0439 k = 0.0000 0.5093 0.0342 ( 16104 PWs) bands (ev): -14.0763 -14.0763 -13.9472 -13.9472 -6.6253 -6.6253 -5.8329 -5.8329 -3.0003 -3.0003 -2.7243 -2.7243 -1.7649 -1.7649 -1.3993 -1.3993 -1.2892 -1.2892 -1.2432 -1.2432 0.2338 0.2338 0.8930 0.8930 1.4341 1.4341 1.9961 1.9961 2.1462 2.1462 2.8834 2.8834 3.0539 3.0539 3.2899 3.2899 3.4516 3.4516 3.5585 3.5585 3.7047 3.7047 3.7865 3.7865 3.9603 3.9603 4.0431 4.0431 4.9796 4.9796 5.8450 5.8450 8.9092 8.9092 9.4080 9.4080 9.5420 9.5420 9.7107 9.7107 10.0417 10.0417 k = 0.0000 0.5093 0.0513 ( 16100 PWs) bands (ev): -14.0756 -14.0756 -13.9479 -13.9479 -6.6220 -6.6220 -5.8385 -5.8385 -2.9988 -2.9988 -2.7256 -2.7256 -1.7630 -1.7630 -1.3993 -1.3993 -1.2954 -1.2954 -1.2326 -1.2326 0.2363 0.2363 0.8986 0.8986 1.4365 1.4365 1.9896 1.9896 2.1438 2.1438 2.8702 2.8702 3.0475 3.0475 3.2557 3.2557 3.4696 3.4696 3.5409 3.5409 3.7028 3.7028 3.8125 3.8125 3.9594 3.9594 4.0746 4.0746 4.9770 4.9770 5.8373 5.8373 8.9274 8.9274 9.3603 9.3603 9.5379 9.5379 9.7455 9.7455 10.0378 10.0378 k = 0.0000 0.5093 0.0684 ( 16094 PWs) bands (ev): -14.0747 -14.0747 -13.9488 -13.9488 -6.6173 -6.6173 -5.8461 -5.8461 -2.9967 -2.9967 -2.7276 -2.7276 -1.7604 -1.7604 -1.3995 -1.3995 -1.3009 -1.3009 -1.2212 -1.2212 0.2401 0.2401 0.9065 0.9065 1.4397 1.4397 1.9805 1.9805 2.1405 2.1405 2.8518 2.8518 3.0388 3.0388 3.2170 3.2170 3.4838 3.4838 3.5272 3.5272 3.6998 3.6998 3.8362 3.8362 3.9697 3.9697 4.1104 4.1104 4.9737 4.9737 5.8265 5.8265 8.9518 8.9518 9.3093 9.3093 9.5319 9.5319 9.7813 9.7813 10.0322 10.0322 k = 0.0000 0.5093 0.0856 ( 16094 PWs) bands (ev): -14.0734 -14.0734 -13.9501 -13.9501 -6.6112 -6.6112 -5.8559 -5.8559 -2.9939 -2.9939 -2.7300 -2.7300 -1.7570 -1.7570 -1.4001 -1.4001 -1.3053 -1.3053 -1.2093 -1.2093 0.2452 0.2452 0.9164 0.9164 1.4438 1.4438 1.9691 1.9691 2.1363 2.1363 2.8285 2.8285 3.0281 3.0281 3.1762 3.1762 3.4849 3.4849 3.5271 3.5271 3.6965 3.6965 3.8514 3.8514 3.9940 3.9940 4.1497 4.1497 4.9699 4.9699 5.8127 5.8127 8.9803 8.9803 9.2598 9.2598 9.5247 9.5247 9.8153 9.8153 10.0248 10.0248 k = 0.0000 0.5093 0.1027 ( 16100 PWs) bands (ev): -14.0719 -14.0719 -13.9516 -13.9516 -6.6039 -6.6039 -5.8676 -5.8676 -2.9906 -2.9906 -2.7330 -2.7330 -1.7527 -1.7527 -1.4013 -1.4013 -1.3085 -1.3085 -1.1973 -1.1973 0.2520 0.2520 0.9284 0.9284 1.4487 1.4487 1.9554 1.9554 2.1311 2.1311 2.8004 2.8004 3.0156 3.0156 3.1346 3.1346 3.4746 3.4746 3.5391 3.5391 3.6935 3.6935 3.8583 3.8583 4.0301 4.0301 4.1918 4.1918 4.9658 4.9658 5.7960 5.7960 9.0085 9.0085 9.2178 9.2178 9.5172 9.5172 9.8463 9.8463 10.0155 10.0155 k = 0.0000 0.5093 0.1198 ( 16104 PWs) bands (ev): -14.0702 -14.0702 -13.9533 -13.9533 -6.5952 -6.5952 -5.8812 -5.8812 -2.9867 -2.9867 -2.7365 -2.7365 -1.7477 -1.7477 -1.4033 -1.4033 -1.3102 -1.3102 -1.1855 -1.1855 0.2608 0.2608 0.9421 0.9421 1.4543 1.4543 1.9397 1.9397 2.1248 2.1248 2.7677 2.7677 3.0015 3.0015 3.0937 3.0937 3.4627 3.4627 3.5534 3.5534 3.6912 3.6912 3.8597 3.8597 4.0736 4.0736 4.2361 4.2361 4.9616 4.9616 5.7764 5.7764 9.0254 9.0254 9.1952 9.1952 9.5102 9.5102 9.8732 9.8732 10.0052 10.0052 k = 0.0000 0.5093 0.1369 ( 16104 PWs) bands (ev): -14.0682 -14.0682 -13.9554 -13.9554 -6.5853 -6.5853 -5.8967 -5.8967 -2.9822 -2.9822 -2.7404 -2.7404 -1.7417 -1.7417 -1.4063 -1.4063 -1.3104 -1.3104 -1.1743 -1.1743 0.2719 0.2719 0.9575 0.9575 1.4605 1.4605 1.9223 1.9223 2.1175 2.1175 2.7305 2.7305 2.9858 2.9858 3.0545 3.0545 3.4521 3.4521 3.5669 3.5669 3.6895 3.6895 3.8581 3.8581 4.1210 4.1210 4.2822 4.2822 4.9577 4.9577 5.7542 5.7542 9.0173 9.0173 9.2061 9.2061 9.5042 9.5042 9.8938 9.8938 9.9959 9.9959 k = 0.0000 0.5093 0.1540 ( 16106 PWs) bands (ev): -14.0659 -14.0659 -13.9576 -13.9576 -6.5740 -6.5740 -5.9138 -5.9138 -2.9772 -2.9772 -2.7449 -2.7449 -1.7350 -1.7350 -1.4102 -1.4102 -1.3091 -1.3091 -1.1641 -1.1641 0.2856 0.2856 0.9742 0.9742 1.4673 1.4673 1.9037 1.9037 2.1090 2.1090 2.6891 2.6891 2.9687 2.9687 3.0182 3.0182 3.4436 3.4436 3.5788 3.5788 3.6885 3.6885 3.8547 3.8547 4.1703 4.1703 4.3297 4.3297 4.9541 4.9541 5.7292 5.7292 8.9897 8.9897 9.2451 9.2451 9.4997 9.4997 9.9037 9.9037 9.9923 9.9923 k = 0.0000 0.5093 0.1711 ( 16102 PWs) bands (ev): -14.0635 -14.0635 -13.9601 -13.9601 -6.5616 -6.5616 -5.9324 -5.9324 -2.9716 -2.9716 -2.7498 -2.7498 -1.7273 -1.7273 -1.4151 -1.4151 -1.3065 -1.3065 -1.1550 -1.1550 0.3022 0.3022 0.9917 0.9917 1.4745 1.4745 1.8845 1.8845 2.0993 2.0993 2.6436 2.6436 2.9499 2.9499 2.9858 2.9858 3.4373 3.4373 3.5887 3.5887 3.6881 3.6881 3.8499 3.8499 4.2203 4.2203 4.3784 4.3784 4.9508 4.9508 5.7018 5.7018 8.9563 8.9563 9.2983 9.2983 9.4970 9.4970 9.8991 9.8991 9.9988 9.9988 k = 0.0000 0.5093 0.1882 ( 16096 PWs) bands (ev): -14.0608 -14.0608 -13.9628 -13.9628 -6.5479 -6.5479 -5.9525 -5.9525 -2.9655 -2.9655 -2.7551 -2.7551 -1.7189 -1.7189 -1.4209 -1.4209 -1.3027 -1.3027 -1.1474 -1.1474 0.3219 0.3219 1.0094 1.0094 1.4822 1.4822 1.8653 1.8653 2.0884 2.0884 2.5947 2.5947 2.9291 2.9291 2.9583 2.9583 3.4332 3.4332 3.5967 3.5967 3.6881 3.6881 3.8440 3.8440 4.2703 4.2703 4.4279 4.4279 4.9480 4.9480 5.6719 5.6719 8.9242 8.9242 9.3579 9.3579 9.4962 9.4962 9.8833 9.8833 10.0133 10.0133 k = 0.0000 0.5093 0.2053 ( 16086 PWs) bands (ev): -14.0579 -14.0579 -13.9657 -13.9657 -6.5330 -6.5330 -5.9738 -5.9738 -2.9589 -2.9589 -2.7608 -2.7608 -1.7096 -1.7096 -1.4276 -1.4276 -1.2978 -1.2978 -1.1414 -1.1414 0.3449 0.3449 1.0265 1.0265 1.4903 1.4903 1.8470 1.8470 2.0763 2.0763 2.5427 2.5427 2.9068 2.9068 2.9354 2.9354 3.4313 3.4313 3.6026 3.6026 3.6883 3.6883 3.8370 3.8370 4.3199 4.3199 4.4781 4.4781 4.9454 4.9454 5.6397 5.6397 8.8961 8.8961 9.4191 9.4191 9.4979 9.4979 9.8623 9.8623 10.0313 10.0313 k = 0.0000 0.5093 0.2225 ( 16092 PWs) bands (ev): -14.0547 -14.0547 -13.9688 -13.9688 -6.5170 -6.5170 -5.9962 -5.9962 -2.9518 -2.9518 -2.7670 -2.7670 -1.6996 -1.6996 -1.4351 -1.4351 -1.2920 -1.2920 -1.1373 -1.1373 0.3713 0.3713 1.0419 1.0419 1.4990 1.4990 1.8306 1.8306 2.0628 2.0628 2.4882 2.4882 2.8848 2.8848 2.9159 2.9159 3.4314 3.4314 3.6065 3.6065 3.6889 3.6889 3.8291 3.8291 4.3686 4.3686 4.5288 4.5288 4.9430 4.9430 5.6053 5.6053 8.8737 8.8737 9.4694 9.4694 9.5099 9.5099 9.8412 9.8412 10.0507 10.0507 k = 0.0000 0.5093 0.2396 ( 16094 PWs) bands (ev): -14.0515 -14.0515 -13.9721 -13.9721 -6.4998 -6.4998 -6.0197 -6.0197 -2.9443 -2.9443 -2.7736 -2.7736 -1.6888 -1.6888 -1.4433 -1.4433 -1.2854 -1.2854 -1.1350 -1.1350 0.4011 0.4011 1.0544 1.0544 1.5088 1.5088 1.8170 1.8170 2.0480 2.0480 2.4318 2.4318 2.8645 2.8645 2.8983 2.8983 3.4334 3.4334 3.6083 3.6083 3.6898 3.6898 3.8204 3.8204 4.4162 4.4162 4.5797 4.5797 4.9403 4.9403 5.5689 5.5689 8.8576 8.8576 9.4804 9.4804 9.5551 9.5551 9.8253 9.8253 10.0707 10.0707 k = 0.0000 0.5093 0.2567 ( 16100 PWs) bands (ev): -14.0480 -14.0480 -13.9756 -13.9756 -6.4816 -6.4816 -6.0440 -6.0440 -2.9365 -2.9365 -2.7805 -2.7805 -1.6774 -1.6774 -1.4522 -1.4522 -1.2781 -1.2781 -1.1347 -1.1347 0.4344 0.4344 1.0622 1.0622 1.5206 1.5206 1.8070 1.8070 2.0320 2.0320 2.3740 2.3740 2.8465 2.8465 2.8822 2.8822 3.4372 3.4372 3.6080 3.6080 3.6911 3.6911 3.8110 3.8110 4.4624 4.4624 4.6306 4.6306 4.9374 4.9374 5.5307 5.5307 8.8483 8.8483 9.4723 9.4723 9.6060 9.6060 9.8206 9.8206 10.0910 10.0910 k = 0.0000 0.5093 0.2738 ( 16094 PWs) bands (ev): -14.0444 -14.0444 -13.9792 -13.9792 -6.4623 -6.4623 -6.0689 -6.0689 -2.9283 -2.9283 -2.7878 -2.7878 -1.6653 -1.6653 -1.4617 -1.4617 -1.2703 -1.2703 -1.1362 -1.1362 0.4708 0.4708 1.0640 1.0640 1.5353 1.5353 1.8012 1.8012 2.0147 2.0147 2.3154 2.3154 2.8311 2.8311 2.8672 2.8672 3.4426 3.4426 3.6056 3.6056 3.6929 3.6929 3.8012 3.8012 4.5071 4.5071 4.6810 4.6810 4.9340 4.9340 5.4906 5.4906 8.8463 8.8463 9.4529 9.4529 9.6488 9.6488 9.8317 9.8317 10.1116 10.1116 k = 0.0000 0.5093 0.2909 ( 16088 PWs) bands (ev): -14.0406 -14.0406 -13.9830 -13.9830 -6.4420 -6.4420 -6.0945 -6.0945 -2.9197 -2.9197 -2.7954 -2.7954 -1.6527 -1.6527 -1.4719 -1.4719 -1.2619 -1.2619 -1.1395 -1.1395 0.5102 0.5102 1.0585 1.0585 1.5540 1.5540 1.7999 1.7999 1.9962 1.9962 2.2565 2.2565 2.8182 2.8182 2.8534 2.8534 3.4496 3.4496 3.6011 3.6011 3.6953 3.6953 3.7913 3.7913 4.5500 4.5500 4.7301 4.7301 4.9307 4.9307 5.4489 5.4489 8.8515 8.8515 9.4221 9.4221 9.6836 9.6836 9.8566 9.8566 10.1325 10.1325 k = 0.0000 0.5093 0.3080 ( 16090 PWs) bands (ev): -14.0367 -14.0367 -13.9869 -13.9869 -6.4208 -6.4208 -6.1204 -6.1204 -2.9110 -2.9110 -2.8033 -2.8033 -1.6397 -1.6397 -1.4827 -1.4827 -1.2530 -1.2530 -1.1443 -1.1443 0.5523 0.5523 1.0450 1.0450 1.5775 1.5775 1.8028 1.8028 1.9766 1.9766 2.1979 2.1979 2.8080 2.8080 2.8407 2.8407 3.4579 3.4579 3.5946 3.5946 3.6984 3.6984 3.7813 3.7813 4.5909 4.5909 4.7760 4.7760 4.9286 4.9286 5.4057 5.4057 8.8640 8.8640 9.3817 9.3817 9.7150 9.7150 9.8871 9.8871 10.1537 10.1537 k = 0.0000 0.5093 0.3251 ( 16092 PWs) bands (ev): -14.0327 -14.0327 -13.9909 -13.9909 -6.3987 -6.3987 -6.1466 -6.1466 -2.9020 -2.9020 -2.8115 -2.8115 -1.6264 -1.6264 -1.4940 -1.4940 -1.2438 -1.2438 -1.1504 -1.1504 0.5966 0.5966 1.0236 1.0236 1.6061 1.6061 1.8098 1.8098 1.9558 1.9558 2.1402 2.1402 2.8001 2.8001 2.8293 2.8293 3.4674 3.4674 3.5863 3.5863 3.7021 3.7021 3.7716 3.7716 4.6299 4.6299 4.8140 4.8140 4.9323 4.9323 5.3611 5.3611 8.8835 8.8835 9.3343 9.3343 9.7466 9.7466 9.9148 9.9148 10.1751 10.1751 k = 0.0000 0.5093 0.3422 ( 16088 PWs) bands (ev): -14.0287 -14.0287 -13.9949 -13.9949 -6.3758 -6.3758 -6.1730 -6.1730 -2.8929 -2.8929 -2.8199 -2.8199 -1.6127 -1.6127 -1.5059 -1.5059 -1.2342 -1.2342 -1.1578 -1.1578 0.6427 0.6427 0.9951 0.9951 1.6396 1.6396 1.8200 1.8200 1.9338 1.9338 2.0843 2.0843 2.7946 2.7946 2.8192 2.8192 3.4780 3.4780 3.5764 3.5764 3.7064 3.7064 3.7622 3.7622 4.6665 4.6665 4.8352 4.8352 4.9500 4.9500 5.3153 5.3153 8.9097 8.9097 9.2826 9.2826 9.7796 9.7796 9.9344 9.9344 10.1967 10.1967 k = 0.0000 0.5093 0.3593 ( 16076 PWs) bands (ev): -14.0245 -14.0245 -13.9991 -13.9991 -6.3522 -6.3522 -6.1994 -6.1994 -2.8836 -2.8836 -2.8286 -2.8286 -1.5989 -1.5989 -1.5182 -1.5182 -1.2244 -1.2244 -1.1660 -1.1660 0.6900 0.6900 0.9606 0.9606 1.6770 1.6770 1.8324 1.8324 1.9109 1.9109 2.0314 2.0314 2.7913 2.7913 2.8104 2.8104 3.4896 3.4896 3.5653 3.5653 3.7114 3.7114 3.7533 3.7533 4.7008 4.7008 4.8370 4.8370 4.9845 4.9845 5.2685 5.2685 8.9421 8.9421 9.2289 9.2289 9.8137 9.8137 9.9432 9.9432 10.2185 10.2185 k = 0.0000 0.5093 0.3765 ( 16072 PWs) bands (ev): -14.0203 -14.0203 -14.0033 -14.0033 -6.3279 -6.3279 -6.2257 -6.2257 -2.8743 -2.8743 -2.8375 -2.8375 -1.5851 -1.5851 -1.5310 -1.5310 -1.2144 -1.2144 -1.1750 -1.1750 0.7379 0.7379 0.9213 0.9213 1.7174 1.7174 1.8426 1.8426 1.8903 1.8903 1.9835 1.9835 2.7900 2.7900 2.8031 2.8031 3.5018 3.5018 3.5532 3.5532 3.7170 3.7170 3.7449 3.7449 4.7324 4.7324 4.8264 4.8264 5.0281 5.0281 5.2208 5.2208 8.9803 8.9803 9.1747 9.1747 9.8474 9.8474 9.9407 9.9407 10.2403 10.2403 k = 0.0000 0.5093 0.3936 ( 16074 PWs) bands (ev): -14.0161 -14.0161 -14.0075 -14.0075 -6.3030 -6.3030 -6.2518 -6.2518 -2.8650 -2.8650 -2.8466 -2.8466 -1.5713 -1.5713 -1.5441 -1.5441 -1.2044 -1.2044 -1.1845 -1.1845 0.7858 0.7858 0.8784 0.8784 1.7590 1.7590 1.8319 1.8319 1.8896 1.8896 1.9427 1.9427 2.7907 2.7907 2.7973 2.7973 3.5145 3.5145 3.5405 3.5405 3.7231 3.7231 3.7371 3.7371 4.7612 4.7612 4.8089 4.8089 5.0754 5.0754 5.1724 5.1724 9.0235 9.0235 9.1217 9.1217 9.8791 9.8791 9.9280 9.9280 10.2623 10.2623 k = 0.0000 0.5093 0.4107 ( 16064 PWs) bands (ev): -14.0118 -14.0118 -14.0118 -14.0118 -6.2776 -6.2776 -6.2776 -6.2776 -2.8558 -2.8558 -2.8558 -2.8558 -1.5576 -1.5576 -1.5576 -1.5576 -1.1944 -1.1944 -1.1944 -1.1944 0.8329 0.8329 0.8329 0.8329 1.7990 1.7990 1.7990 1.7990 1.9108 1.9108 1.9108 1.9108 2.7931 2.7931 2.7931 2.7931 3.5275 3.5275 3.5275 3.5275 3.7298 3.7298 3.7298 3.7298 4.7869 4.7869 4.7869 4.7869 5.1238 5.1238 5.1238 5.1238 9.0709 9.0709 9.0709 9.0709 9.9067 9.9067 9.9067 9.9067 10.2846 10.2846 k = 0.0000 0.5093 0.4107 ( 16064 PWs) bands (ev): -14.0118 -14.0118 -14.0118 -14.0118 -6.2776 -6.2776 -6.2776 -6.2776 -2.8558 -2.8558 -2.8558 -2.8558 -1.5576 -1.5576 -1.5576 -1.5576 -1.1944 -1.1944 -1.1944 -1.1944 0.8329 0.8329 0.8329 0.8329 1.7990 1.7990 1.7990 1.7990 1.9108 1.9108 1.9108 1.9108 2.7931 2.7931 2.7931 2.7931 3.5275 3.5275 3.5275 3.5275 3.7298 3.7298 3.7298 3.7298 4.7869 4.7869 4.7869 4.7869 5.1238 5.1238 5.1238 5.1238 9.0709 9.0709 9.0709 9.0709 9.9067 9.9067 9.9067 9.9067 10.2846 10.2846 k = 0.0168 0.5093 0.4107 ( 16080 PWs) bands (ev): -14.0118 -14.0118 -14.0118 -14.0118 -6.2776 -6.2776 -6.2774 -6.2774 -2.8581 -2.8581 -2.8539 -2.8539 -1.5593 -1.5593 -1.5566 -1.5566 -1.1961 -1.1961 -1.1932 -1.1932 0.8329 0.8329 0.8333 0.8333 1.7982 1.7982 1.8000 1.8000 1.9102 1.9102 1.9123 1.9123 2.7910 2.7910 2.7957 2.7957 3.5257 3.5257 3.5303 3.5303 3.7283 3.7283 3.7316 3.7316 4.7856 4.7856 4.7878 4.7878 5.1215 5.1215 5.1265 5.1265 9.0637 9.0637 9.0718 9.0718 9.8893 9.8893 9.9238 9.9238 10.2786 10.2786 k = 0.0336 0.5093 0.4107 ( 16088 PWs) bands (ev): -14.0118 -14.0118 -14.0118 -14.0118 -6.2774 -6.2774 -6.2770 -6.2770 -2.8608 -2.8608 -2.8526 -2.8526 -1.5618 -1.5618 -1.5564 -1.5564 -1.1983 -1.1983 -1.1926 -1.1926 0.8333 0.8333 0.8341 0.8341 1.7977 1.7977 1.8013 1.8013 1.9105 1.9105 1.9146 1.9146 2.7892 2.7892 2.7986 2.7986 3.5251 3.5251 3.5341 3.5341 3.7270 3.7270 3.7335 3.7335 4.7840 4.7840 4.7882 4.7882 5.1196 5.1196 5.1295 5.1295 9.0507 9.0507 9.0661 9.0661 9.8730 9.8730 9.9387 9.9387 10.2768 10.2768 k = 0.0504 0.5093 0.4107 ( 16078 PWs) bands (ev): -14.0117 -14.0117 -14.0117 -14.0117 -6.2771 -6.2771 -6.2764 -6.2764 -2.8639 -2.8639 -2.8517 -2.8517 -1.5651 -1.5651 -1.5570 -1.5570 -1.2010 -1.2010 -1.1926 -1.1926 0.8341 0.8341 0.8353 0.8353 1.7974 1.7974 1.8028 1.8028 1.9116 1.9116 1.9177 1.9177 2.7879 2.7879 2.8020 2.8020 3.5255 3.5255 3.5390 3.5390 3.7260 3.7260 3.7357 3.7357 4.7819 4.7819 4.7882 4.7882 5.1182 5.1182 5.1328 5.1328 9.0326 9.0326 9.0540 9.0540 9.8587 9.8587 9.9499 9.9499 10.2801 10.2801 k = 0.0672 0.5093 0.4107 ( 16082 PWs) bands (ev): -14.0117 -14.0117 -14.0116 -14.0116 -6.2765 -6.2765 -6.2756 -6.2756 -2.8674 -2.8674 -2.8513 -2.8513 -1.5691 -1.5691 -1.5582 -1.5582 -1.2042 -1.2042 -1.1933 -1.1933 0.8352 0.8352 0.8368 0.8368 1.7975 1.7975 1.8045 1.8045 1.9136 1.9136 1.9216 1.9216 2.7871 2.7871 2.8056 2.8056 3.5271 3.5271 3.5447 3.5447 3.7251 3.7251 3.7381 3.7381 4.7796 4.7796 4.7877 4.7877 5.1172 5.1172 5.1364 5.1364 9.0102 9.0102 9.0359 9.0359 9.8468 9.8468 9.9558 9.9558 10.2890 10.2890 k = 0.0840 0.5093 0.4107 ( 16076 PWs) bands (ev): -14.0116 -14.0116 -14.0115 -14.0115 -6.2757 -6.2757 -6.2746 -6.2746 -2.8712 -2.8712 -2.8513 -2.8513 -1.5738 -1.5738 -1.5602 -1.5602 -1.2077 -1.2077 -1.1945 -1.1945 0.8367 0.8367 0.8387 0.8387 1.7978 1.7978 1.8064 1.8064 1.9164 1.9164 1.9262 1.9262 2.7866 2.7866 2.8096 2.8096 3.5298 3.5298 3.5512 3.5512 3.7246 3.7246 3.7406 3.7406 4.7768 4.7768 4.7867 4.7867 5.1168 5.1168 5.1402 5.1402 8.9843 8.9843 9.0125 9.0125 9.8371 9.8371 9.9563 9.9563 10.3029 10.3029 k = 0.1008 0.5093 0.4107 ( 16082 PWs) bands (ev): -14.0115 -14.0115 -14.0114 -14.0114 -6.2748 -6.2748 -6.2735 -6.2735 -2.8754 -2.8754 -2.8518 -2.8518 -1.5792 -1.5792 -1.5627 -1.5627 -1.2116 -1.2116 -1.1964 -1.1964 0.8385 0.8385 0.8408 0.8408 1.7985 1.7985 1.8084 1.8084 1.9200 1.9200 1.9314 1.9314 2.7867 2.7867 2.8139 2.8139 3.5336 3.5336 3.5586 3.5586 3.7242 3.7242 3.7434 3.7434 4.7738 4.7738 4.7852 4.7852 5.1170 5.1170 5.1442 5.1442 8.9556 8.9556 8.9847 8.9847 9.8294 9.8294 9.9516 9.9516 10.3206 10.3206 k = 0.1176 0.5093 0.4107 ( 16076 PWs) bands (ev): -14.0114 -14.0114 -14.0113 -14.0113 -6.2737 -6.2737 -6.2722 -6.2722 -2.8798 -2.8798 -2.8528 -2.8528 -1.5852 -1.5852 -1.5659 -1.5659 -1.2157 -1.2157 -1.1988 -1.1988 0.8406 0.8406 0.8432 0.8432 1.7995 1.7995 1.8106 1.8106 1.9243 1.9243 1.9372 1.9372 2.7871 2.7871 2.8184 2.8184 3.5385 3.5385 3.5666 3.5666 3.7241 3.7241 3.7463 3.7463 4.7705 4.7705 4.7832 4.7832 5.1179 5.1179 5.1485 5.1485 8.9250 8.9250 8.9535 8.9535 9.8231 9.8231 9.9429 9.9429 10.3402 10.3402 k = 0.1344 0.5093 0.4107 ( 16078 PWs) bands (ev): -14.0112 -14.0112 -14.0112 -14.0112 -6.2725 -6.2725 -6.2707 -6.2707 -2.8845 -2.8845 -2.8543 -2.8543 -1.5917 -1.5917 -1.5697 -1.5697 -1.2201 -1.2201 -1.2017 -1.2017 0.8428 0.8428 0.8458 0.8458 1.8007 1.8007 1.8129 1.8129 1.9293 1.9293 1.9435 1.9435 2.7881 2.7881 2.8232 2.8232 3.5444 3.5444 3.5751 3.5751 3.7242 3.7242 3.7494 3.7494 4.7669 4.7669 4.7808 4.7808 5.1193 5.1193 5.1529 5.1529 8.8930 8.8930 8.9200 8.9200 9.8177 9.8177 9.9312 9.9312 10.3598 10.3598 k = 0.1512 0.5093 0.4107 ( 16082 PWs) bands (ev): -14.0111 -14.0111 -14.0110 -14.0110 -6.2710 -6.2710 -6.2692 -6.2692 -2.8893 -2.8893 -2.8561 -2.8561 -1.5988 -1.5988 -1.5740 -1.5740 -1.2246 -1.2246 -1.2052 -1.2052 0.8452 0.8452 0.8486 0.8486 1.8023 1.8023 1.8153 1.8153 1.9348 1.9348 1.9502 1.9502 2.7895 2.7895 2.8282 2.8282 3.5513 3.5513 3.5842 3.5842 3.7246 3.7246 3.7526 3.7526 4.7631 4.7631 4.7779 4.7779 5.1214 5.1214 5.1575 5.1575 8.8602 8.8602 8.8849 8.8849 9.8127 9.8127 9.9173 9.9173 10.3651 10.3651 k = 0.1680 0.5093 0.4107 ( 16092 PWs) bands (ev): -14.0109 -14.0109 -14.0109 -14.0109 -6.2695 -6.2695 -6.2675 -6.2675 -2.8942 -2.8942 -2.8584 -2.8584 -1.6063 -1.6063 -1.5788 -1.5788 -1.2292 -1.2292 -1.2090 -1.2090 0.8478 0.8478 0.8515 0.8515 1.8041 1.8041 1.8177 1.8177 1.9408 1.9408 1.9573 1.9573 2.7913 2.7913 2.8334 2.8334 3.5591 3.5591 3.5935 3.5935 3.7251 3.7251 3.7560 3.7560 4.7591 4.7591 4.7746 4.7746 5.1242 5.1242 5.1622 5.1622 8.8271 8.8271 8.8491 8.8491 9.8078 9.8078 9.9020 9.9020 10.3667 10.3667 k = 0.1848 0.5093 0.4107 ( 16090 PWs) bands (ev): -14.0108 -14.0108 -14.0107 -14.0107 -6.2678 -6.2678 -6.2656 -6.2656 -2.8992 -2.8992 -2.8610 -2.8610 -1.6141 -1.6141 -1.5840 -1.5840 -1.2339 -1.2339 -1.2133 -1.2133 0.8504 0.8504 0.8544 0.8544 1.8061 1.8061 1.8202 1.8202 1.9472 1.9472 1.9646 1.9646 2.7936 2.7936 2.8386 2.8386 3.5677 3.5677 3.6031 3.6031 3.7259 3.7259 3.7595 3.7595 4.7550 4.7550 4.7709 4.7709 5.1277 5.1277 5.1670 5.1670 8.7942 8.7942 8.8133 8.8133 9.8026 9.8026 9.8859 9.8859 10.3658 10.3658 k = 0.2016 0.5093 0.4107 ( 16088 PWs) bands (ev): -14.0106 -14.0106 -14.0105 -14.0105 -6.2661 -6.2661 -6.2637 -6.2637 -2.9043 -2.9043 -2.8640 -2.8640 -1.6221 -1.6221 -1.5896 -1.5896 -1.2385 -1.2385 -1.2178 -1.2178 0.8531 0.8531 0.8574 0.8574 1.8082 1.8082 1.8227 1.8227 1.9540 1.9540 1.9721 1.9721 2.7962 2.7962 2.8440 2.8440 3.5771 3.5771 3.6128 3.6128 3.7268 3.7268 3.7631 3.7631 4.7508 4.7508 4.7670 4.7670 5.1318 5.1318 5.1720 5.1720 8.7619 8.7619 8.7780 8.7780 9.7970 9.7970 9.8692 9.8692 10.3626 10.3626 k = 0.2184 0.5093 0.4107 ( 16090 PWs) bands (ev): -14.0104 -14.0104 -14.0103 -14.0103 -6.2642 -6.2642 -6.2618 -6.2618 -2.9093 -2.9093 -2.8672 -2.8672 -1.6303 -1.6303 -1.5955 -1.5955 -1.2432 -1.2432 -1.2226 -1.2226 0.8557 0.8557 0.8603 0.8603 1.8106 1.8106 1.8252 1.8252 1.9610 1.9610 1.9797 1.9797 2.7993 2.7993 2.8493 2.8493 3.5870 3.5870 3.6225 3.6225 3.7279 3.7279 3.7667 3.7667 4.7466 4.7466 4.7629 4.7629 5.1365 5.1365 5.1771 5.1771 8.7304 8.7304 8.7436 8.7436 9.7907 9.7907 9.8524 9.8524 10.3575 10.3575 k = 0.2352 0.5093 0.4107 ( 16088 PWs) bands (ev): -14.0103 -14.0103 -14.0102 -14.0102 -6.2622 -6.2622 -6.2597 -6.2597 -2.9142 -2.9142 -2.8707 -2.8707 -1.6386 -1.6386 -1.6018 -1.6018 -1.2478 -1.2478 -1.2275 -1.2275 0.8583 0.8583 0.8631 0.8631 1.8130 1.8130 1.8276 1.8276 1.9682 1.9682 1.9874 1.9874 2.8027 2.8027 2.8546 2.8546 3.5973 3.5973 3.6319 3.6319 3.7292 3.7292 3.7704 3.7704 4.7426 4.7426 4.7588 4.7588 5.1417 5.1417 5.1822 5.1822 8.7000 8.7000 8.7105 8.7105 9.7837 9.7837 9.8357 9.8357 10.3507 10.3507 k = 0.2520 0.5093 0.4107 ( 16084 PWs) bands (ev): -14.0101 -14.0101 -14.0100 -14.0100 -6.2602 -6.2602 -6.2577 -6.2577 -2.9190 -2.9190 -2.8745 -2.8745 -1.6468 -1.6468 -1.6082 -1.6082 -1.2523 -1.2523 -1.2326 -1.2326 0.8608 0.8608 0.8658 0.8658 1.8155 1.8155 1.8300 1.8300 1.9755 1.9755 1.9951 1.9951 2.8065 2.8065 2.8599 2.8599 3.6080 3.6080 3.6411 3.6411 3.7307 3.7307 3.7740 3.7740 4.7388 4.7388 4.7547 4.7547 5.1475 5.1475 5.1875 5.1875 8.6710 8.6710 8.6791 8.6791 9.7759 9.7759 9.8191 9.8191 10.3428 10.3428 k = 0.2688 0.5093 0.4107 ( 16084 PWs) bands (ev): -14.0099 -14.0099 -14.0098 -14.0098 -6.2582 -6.2582 -6.2556 -6.2556 -2.9236 -2.9236 -2.8784 -2.8784 -1.6549 -1.6549 -1.6149 -1.6149 -1.2567 -1.2567 -1.2377 -1.2377 0.8632 0.8632 0.8684 0.8684 1.8180 1.8180 1.8322 1.8322 1.9828 1.9828 2.0026 2.0026 2.8105 2.8105 2.8650 2.8650 3.6187 3.6187 3.6498 3.6498 3.7322 3.7322 3.7775 3.7775 4.7352 4.7352 4.7508 4.7508 5.1538 5.1538 5.1928 5.1928 8.6435 8.6435 8.6495 8.6495 9.7674 9.7674 9.8029 9.8029 10.3345 10.3345 k = 0.2856 0.5093 0.4107 ( 16084 PWs) bands (ev): -14.0097 -14.0097 -14.0096 -14.0096 -6.2561 -6.2561 -6.2535 -6.2535 -2.9280 -2.9280 -2.8825 -2.8825 -1.6628 -1.6628 -1.6216 -1.6216 -1.2609 -1.2609 -1.2428 -1.2428 0.8655 0.8655 0.8708 0.8708 1.8205 1.8205 1.8343 1.8343 1.9901 1.9901 2.0100 2.0100 2.8148 2.8148 2.8699 2.8699 3.6294 3.6294 3.6580 3.6580 3.7340 3.7340 3.7809 3.7809 4.7321 4.7321 4.7473 4.7473 5.1604 5.1604 5.1981 5.1981 8.6178 8.6178 8.6218 8.6218 9.7581 9.7581 9.7870 9.7870 10.3264 10.3264 k = 0.3024 0.5093 0.4107 ( 16094 PWs) bands (ev): -14.0096 -14.0096 -14.0095 -14.0095 -6.2540 -6.2540 -6.2514 -6.2514 -2.9321 -2.9321 -2.8866 -2.8866 -1.6704 -1.6704 -1.6285 -1.6285 -1.2649 -1.2649 -1.2477 -1.2477 0.8676 0.8676 0.8729 0.8729 1.8229 1.8229 1.8362 1.8362 1.9972 1.9972 2.0172 2.0172 2.8193 2.8193 2.8746 2.8746 3.6397 3.6397 3.6656 3.6656 3.7358 3.7358 3.7840 3.7840 4.7295 4.7295 4.7442 4.7442 5.1675 5.1675 5.2035 5.2035 8.5939 8.5939 8.5963 8.5963 9.7481 9.7481 9.7716 9.7716 10.3190 10.3190 k = 0.3192 0.5093 0.4107 ( 16092 PWs) bands (ev): -14.0094 -14.0094 -14.0093 -14.0093 -6.2520 -6.2520 -6.2494 -6.2494 -2.9359 -2.9359 -2.8909 -2.8909 -1.6777 -1.6777 -1.6353 -1.6353 -1.2687 -1.2687 -1.2526 -1.2526 0.8695 0.8695 0.8749 0.8749 1.8251 1.8251 1.8379 1.8379 2.0042 2.0042 2.0241 2.0241 2.8239 2.8239 2.8790 2.8790 3.6495 3.6495 3.6724 3.6724 3.7378 3.7378 3.7868 3.7868 4.7275 4.7275 4.7416 4.7416 5.1748 5.1748 5.2090 5.2090 8.5719 8.5719 8.5731 8.5731 9.7374 9.7374 9.7566 9.7566 10.3129 10.3129 k = 0.3360 0.5093 0.4107 ( 16088 PWs) bands (ev): -14.0093 -14.0093 -14.0092 -14.0092 -6.2499 -6.2499 -6.2474 -6.2474 -2.9393 -2.9393 -2.8951 -2.8951 -1.6845 -1.6845 -1.6421 -1.6421 -1.2723 -1.2723 -1.2572 -1.2572 0.8712 0.8712 0.8766 0.8766 1.8272 1.8272 1.8393 1.8393 2.0109 2.0109 2.0307 2.0307 2.8287 2.8287 2.8830 2.8830 3.6586 3.6586 3.6784 3.6784 3.7399 3.7399 3.7891 3.7891 4.7262 4.7262 4.7398 4.7398 5.1824 5.1824 5.2144 5.2144 8.5520 8.5520 8.5522 8.5522 9.7260 9.7260 9.7419 9.7419 10.3088 10.3088 k = 0.3529 0.5093 0.4107 ( 16094 PWs) bands (ev): -14.0091 -14.0091 -14.0090 -14.0090 -6.2480 -6.2480 -6.2455 -6.2455 -2.9424 -2.9424 -2.8992 -2.8992 -1.6907 -1.6907 -1.6488 -1.6488 -1.2756 -1.2756 -1.2616 -1.2616 0.8727 0.8727 0.8781 0.8781 1.8292 1.8292 1.8405 1.8405 2.0174 2.0174 2.0370 2.0370 2.8335 2.8335 2.8867 2.8867 3.6666 3.6666 3.6835 3.6835 3.7422 3.7422 3.7910 3.7910 4.7256 4.7256 4.7386 4.7386 5.1902 5.1902 5.2199 5.2199 8.5337 8.5337 8.5343 8.5343 9.7138 9.7138 9.7275 9.7275 10.3070 10.3070 k = 0.3697 0.5093 0.4107 ( 16104 PWs) bands (ev): -14.0090 -14.0090 -14.0089 -14.0089 -6.2460 -6.2460 -6.2437 -6.2437 -2.9450 -2.9450 -2.9033 -2.9033 -1.6964 -1.6964 -1.6554 -1.6554 -1.2786 -1.2786 -1.2657 -1.2657 0.8740 0.8740 0.8793 0.8793 1.8308 1.8308 1.8415 1.8415 2.0236 2.0236 2.0429 2.0429 2.8383 2.8383 2.8900 2.8900 3.6735 3.6735 3.6877 3.6877 3.7447 3.7447 3.7923 3.7923 4.7259 4.7259 4.7383 4.7383 5.1982 5.1982 5.2254 5.2254 8.5177 8.5177 8.5189 8.5189 9.7009 9.7009 9.7131 9.7131 10.3079 10.3079 k = 0.3865 0.5093 0.4107 ( 16104 PWs) bands (ev): -14.0089 -14.0089 -14.0088 -14.0088 -6.2442 -6.2442 -6.2419 -6.2419 -2.9472 -2.9472 -2.9073 -2.9073 -1.7015 -1.7015 -1.6617 -1.6617 -1.2814 -1.2814 -1.2695 -1.2695 0.8751 0.8751 0.8803 0.8803 1.8323 1.8323 1.8422 1.8422 2.0295 2.0295 2.0484 2.0484 2.8430 2.8430 2.8929 2.8929 3.6791 3.6791 3.6910 3.6910 3.7474 3.7474 3.7929 3.7929 4.7270 4.7270 4.7387 4.7387 5.2063 5.2063 5.2309 5.2309 8.5044 8.5044 8.5059 8.5059 9.6873 9.6873 9.6988 9.6988 10.3120 10.3120 k = 0.4033 0.5093 0.4107 ( 16122 PWs) bands (ev): -14.0088 -14.0088 -14.0087 -14.0087 -6.2425 -6.2425 -6.2403 -6.2403 -2.9490 -2.9490 -2.9110 -2.9110 -1.7059 -1.7059 -1.6676 -1.6676 -1.2838 -1.2838 -1.2729 -1.2729 0.8760 0.8760 0.8810 0.8810 1.8334 1.8334 1.8426 1.8426 2.0350 2.0350 2.0534 2.0534 2.8477 2.8477 2.8952 2.8952 3.6831 3.6831 3.6933 3.6933 3.7503 3.7503 3.7930 3.7930 4.7289 4.7289 4.7399 4.7399 5.2144 5.2144 5.2364 5.2364 8.4938 8.4938 8.4954 8.4954 9.6729 9.6729 9.6843 9.6843 10.3193 10.3193 k = 0.4201 0.5093 0.4107 ( 16120 PWs) bands (ev): -14.0087 -14.0087 -14.0087 -14.0087 -6.2408 -6.2408 -6.2388 -6.2388 -2.9502 -2.9502 -2.9146 -2.9146 -1.7095 -1.7095 -1.6733 -1.6733 -1.2859 -1.2859 -1.2760 -1.2760 0.8766 0.8766 0.8814 0.8814 1.8342 1.8342 1.8426 1.8426 2.0401 2.0401 2.0580 2.0580 2.8522 2.8522 2.8971 2.8971 3.6858 3.6858 3.6946 3.6946 3.7532 3.7532 3.7924 3.7924 4.7316 4.7316 4.7419 4.7419 5.2225 5.2225 5.2419 5.2419 8.4859 8.4859 8.4875 8.4875 9.6578 9.6578 9.6694 9.6694 10.3300 10.3300 k = 0.4201 0.5093 0.4107 ( 16120 PWs) bands (ev): -14.0087 -14.0087 -14.0087 -14.0087 -6.2408 -6.2408 -6.2388 -6.2388 -2.9502 -2.9502 -2.9146 -2.9146 -1.7095 -1.7095 -1.6733 -1.6733 -1.2859 -1.2859 -1.2760 -1.2760 0.8766 0.8766 0.8814 0.8814 1.8342 1.8342 1.8426 1.8426 2.0401 2.0401 2.0580 2.0580 2.8522 2.8522 2.8971 2.8971 3.6858 3.6858 3.6946 3.6946 3.7532 3.7532 3.7924 3.7924 4.7316 4.7316 4.7419 4.7419 5.2225 5.2225 5.2419 5.2419 8.4859 8.4859 8.4875 8.4875 9.6578 9.6578 9.6694 9.6694 10.3300 10.3300 k = 0.4090 0.4959 0.4107 ( 16120 PWs) bands (ev): -14.0088 -14.0088 -14.0088 -14.0088 -6.2435 -6.2435 -6.2412 -6.2412 -2.9483 -2.9483 -2.9089 -2.9089 -1.7037 -1.7037 -1.6643 -1.6643 -1.2825 -1.2825 -1.2710 -1.2710 0.8758 0.8758 0.8809 0.8809 1.8331 1.8331 1.8427 1.8427 2.0318 2.0318 2.0504 2.0504 2.8450 2.8450 2.8941 2.8941 3.6824 3.6824 3.6933 3.6933 3.7483 3.7483 3.7937 3.7937 4.7266 4.7266 4.7380 4.7380 5.2089 5.2089 5.2328 5.2328 8.4970 8.4970 8.4987 8.4987 9.6839 9.6839 9.6943 9.6943 10.3092 10.3092 k = 0.3980 0.4825 0.4107 ( 16124 PWs) bands (ev): -14.0090 -14.0090 -14.0089 -14.0089 -6.2463 -6.2463 -6.2438 -6.2438 -2.9459 -2.9459 -2.9031 -2.9031 -1.6971 -1.6971 -1.6551 -1.6551 -1.2787 -1.2787 -1.2656 -1.2656 0.8749 0.8749 0.8803 0.8803 1.8318 1.8318 1.8428 1.8428 2.0231 2.0231 2.0417 2.0417 2.8378 2.8378 2.8903 2.8903 3.6783 3.6783 3.6918 3.6918 3.7432 3.7432 3.7950 3.7950 4.7216 4.7216 4.7339 4.7339 5.1948 5.1948 5.2237 5.2237 8.5092 8.5092 8.5111 8.5111 9.7111 9.7111 9.7195 9.7195 10.2876 10.2876 k = 0.3869 0.4691 0.4107 ( 16124 PWs) bands (ev): -14.0091 -14.0091 -14.0090 -14.0090 -6.2492 -6.2492 -6.2465 -6.2465 -2.9430 -2.9430 -2.8973 -2.8973 -1.6897 -1.6897 -1.6459 -1.6459 -1.2745 -1.2745 -1.2597 -1.2597 0.8742 0.8742 0.8795 0.8795 1.8305 1.8305 1.8428 1.8428 2.0142 2.0142 2.0321 2.0321 2.8307 2.8307 2.8859 2.8859 3.6733 3.6733 3.6902 3.6902 3.7381 3.7381 3.7960 3.7960 4.7169 4.7169 4.7297 4.7297 5.1805 5.1805 5.2148 5.2148 8.5226 8.5226 8.5246 8.5246 9.7385 9.7385 9.7439 9.7439 10.2657 10.2657 k = 0.3758 0.4557 0.4107 ( 16100 PWs) bands (ev): -14.0092 -14.0092 -14.0091 -14.0091 -6.2521 -6.2521 -6.2493 -6.2493 -2.9397 -2.9397 -2.8915 -2.8915 -1.6818 -1.6818 -1.6367 -1.6367 -1.2700 -1.2700 -1.2535 -1.2535 0.8734 0.8734 0.8787 0.8787 1.8291 1.8291 1.8428 1.8428 2.0051 2.0051 2.0217 2.0217 2.8238 2.8238 2.8810 2.8810 3.6673 3.6673 3.6885 3.6885 3.7332 3.7332 3.7970 3.7970 4.7127 4.7127 4.7256 4.7256 5.1662 5.1662 5.2062 5.2062 8.5370 8.5370 8.5392 8.5392 9.7650 9.7650 9.7662 9.7662 10.2439 10.2439 k = 0.3648 0.4423 0.4107 ( 16088 PWs) bands (ev): -14.0094 -14.0094 -14.0093 -14.0093 -6.2550 -6.2550 -6.2521 -6.2521 -2.9361 -2.9361 -2.8859 -2.8859 -1.6734 -1.6734 -1.6277 -1.6277 -1.2652 -1.2652 -1.2470 -1.2470 0.8728 0.8728 0.8778 0.8778 1.8276 1.8276 1.8428 1.8428 1.9960 1.9960 2.0107 2.0107 2.8173 2.8173 2.8755 2.8755 3.6602 3.6602 3.6867 3.6867 3.7286 3.7286 3.7978 3.7978 4.7092 4.7092 4.7216 4.7216 5.1523 5.1523 5.1982 5.1982 8.5524 8.5524 8.5547 8.5547 9.7856 9.7856 9.7891 9.7891 10.2228 10.2228 k = 0.3537 0.4289 0.4107 ( 16090 PWs) bands (ev): -14.0096 -14.0096 -14.0095 -14.0095 -6.2579 -6.2579 -6.2548 -6.2548 -2.9321 -2.9321 -2.8804 -2.8804 -1.6648 -1.6648 -1.6190 -1.6190 -1.2602 -1.2602 -1.2404 -1.2404 0.8722 0.8722 0.8768 0.8768 1.8261 1.8261 1.8428 1.8428 1.9872 1.9872 1.9992 1.9992 2.8112 2.8112 2.8696 2.8696 3.6519 3.6519 3.6848 3.6848 3.7244 3.7244 3.7984 3.7984 4.7064 4.7064 4.7179 4.7179 5.1390 5.1390 5.1911 5.1911 8.5684 8.5684 8.5710 8.5710 9.8011 9.8011 9.8093 9.8093 10.2029 10.2029 k = 0.3427 0.4155 0.4107 ( 16094 PWs) bands (ev): -14.0098 -14.0098 -14.0096 -14.0096 -6.2606 -6.2606 -6.2575 -6.2575 -2.9280 -2.9280 -2.8751 -2.8751 -1.6560 -1.6560 -1.6108 -1.6108 -1.2550 -1.2550 -1.2339 -1.2339 0.8717 0.8717 0.8758 0.8758 1.8245 1.8245 1.8428 1.8428 1.9787 1.9787 1.9873 1.9873 2.8056 2.8056 2.8635 2.8635 3.6425 3.6425 3.6829 3.6829 3.7208 3.7208 3.7988 3.7988 4.7046 4.7046 4.7146 4.7146 5.1267 5.1267 5.1849 5.1849 8.5851 8.5851 8.5879 8.5879 9.8121 9.8121 9.8241 9.8241 10.1843 10.1843 k = 0.3316 0.4021 0.4107 ( 16114 PWs) bands (ev): -14.0100 -14.0100 -14.0099 -14.0099 -6.2632 -6.2632 -6.2599 -6.2599 -2.9237 -2.9237 -2.8701 -2.8701 -1.6472 -1.6472 -1.6030 -1.6030 -1.2499 -1.2499 -1.2276 -1.2276 0.8714 0.8714 0.8747 0.8747 1.8229 1.8229 1.8427 1.8427 1.9708 1.9708 1.9755 1.9755 2.8006 2.8006 2.8571 2.8571 3.6322 3.6322 3.6809 3.6809 3.7177 3.7177 3.7990 3.7990 4.7039 4.7039 4.7116 4.7116 5.1156 5.1156 5.1798 5.1798 8.6021 8.6021 8.6054 8.6054 9.8184 9.8184 9.8323 9.8323 10.1668 10.1668 k = 0.3206 0.3887 0.4107 ( 16114 PWs) bands (ev): -14.0102 -14.0102 -14.0101 -14.0101 -6.2656 -6.2656 -6.2622 -6.2622 -2.9192 -2.9192 -2.8654 -2.8654 -1.6385 -1.6385 -1.5957 -1.5957 -1.2448 -1.2448 -1.2216 -1.2216 0.8712 0.8712 0.8736 0.8736 1.8212 1.8212 1.8426 1.8426 1.9636 1.9636 1.9638 1.9638 2.7962 2.7962 2.8505 2.8505 3.6210 3.6210 3.6789 3.6789 3.7150 3.7150 3.7990 3.7990 4.7042 4.7042 4.7092 4.7092 5.1059 5.1059 5.1760 5.1760 8.6192 8.6192 8.6231 8.6231 9.8202 9.8202 9.8331 9.8331 10.1495 10.1495 k = 0.3095 0.3753 0.4107 ( 16102 PWs) bands (ev): -14.0104 -14.0104 -14.0103 -14.0103 -6.2677 -6.2677 -6.2643 -6.2643 -2.9148 -2.9148 -2.8611 -2.8611 -1.6301 -1.6301 -1.5890 -1.5890 -1.2400 -1.2400 -1.2162 -1.2162 0.8711 0.8711 0.8725 0.8725 1.8195 1.8195 1.8424 1.8424 1.9525 1.9525 1.9574 1.9574 2.7924 2.7924 2.8440 2.8440 3.6093 3.6093 3.6769 3.6769 3.7126 3.7126 3.7987 3.7987 4.7056 4.7056 4.7074 4.7074 5.0979 5.0979 5.1736 5.1736 8.6363 8.6363 8.6410 8.6410 9.8175 9.8175 9.8265 9.8265 10.1312 10.1312 k = 0.2985 0.3619 0.4107 ( 16078 PWs) bands (ev): -14.0107 -14.0107 -14.0106 -14.0106 -6.2695 -6.2695 -6.2661 -6.2661 -2.9103 -2.9103 -2.8572 -2.8572 -1.6219 -1.6219 -1.5828 -1.5828 -1.2355 -1.2355 -1.2114 -1.2114 0.8712 0.8712 0.8714 0.8714 1.8177 1.8177 1.8423 1.8423 1.9418 1.9418 1.9522 1.9522 2.7893 2.7893 2.8375 2.8375 3.5973 3.5973 3.6749 3.6749 3.7106 3.7106 3.7982 3.7982 4.7062 4.7062 4.7080 4.7080 5.0918 5.0918 5.1727 5.1727 8.6530 8.6530 8.6587 8.6587 9.8107 9.8107 9.8124 9.8124 10.1108 10.1108 k = 0.2874 0.3485 0.4107 ( 16076 PWs) bands (ev): -14.0109 -14.0109 -14.0108 -14.0108 -6.2710 -6.2710 -6.2676 -6.2676 -2.9059 -2.9059 -2.8537 -2.8537 -1.6141 -1.6141 -1.5773 -1.5773 -1.2314 -1.2314 -1.2075 -1.2075 0.8703 0.8703 0.8714 0.8714 1.8161 1.8161 1.8421 1.8421 1.9319 1.9319 1.9482 1.9482 2.7869 2.7869 2.8311 2.8311 3.5851 3.5851 3.6730 3.6730 3.7088 3.7088 3.7975 3.7975 4.7055 4.7055 4.7113 4.7113 5.0876 5.0876 5.1735 5.1735 8.6691 8.6691 8.6760 8.6760 9.7910 9.7910 9.7996 9.7996 10.0877 10.0877 k = 0.2764 0.3351 0.4107 ( 16070 PWs) bands (ev): -14.0112 -14.0112 -14.0111 -14.0111 -6.2721 -6.2721 -6.2687 -6.2687 -2.9016 -2.9016 -2.8506 -2.8506 -1.6068 -1.6068 -1.5724 -1.5724 -1.2280 -1.2280 -1.2045 -1.2045 0.8693 0.8693 0.8717 0.8717 1.8145 1.8145 1.8418 1.8418 1.9230 1.9230 1.9455 1.9455 2.7852 2.7852 2.8250 2.8250 3.5731 3.5731 3.6710 3.6710 3.7072 3.7072 3.7965 3.7965 4.7055 4.7055 4.7154 4.7154 5.0856 5.0856 5.1760 5.1760 8.6842 8.6842 8.6928 8.6928 9.7620 9.7620 9.7832 9.7832 10.0627 10.0627 k = 0.2653 0.3217 0.4107 ( 16072 PWs) bands (ev): -14.0115 -14.0115 -14.0114 -14.0114 -6.2729 -6.2729 -6.2695 -6.2695 -2.8975 -2.8975 -2.8480 -2.8480 -1.6000 -1.6000 -1.5681 -1.5681 -1.2252 -1.2252 -1.2025 -1.2025 0.8684 0.8684 0.8721 0.8721 1.8131 1.8131 1.8415 1.8415 1.9151 1.9151 1.9442 1.9442 2.7841 2.7841 2.8193 2.8193 3.5614 3.5614 3.6691 3.6691 3.7057 3.7057 3.7952 3.7952 4.7059 4.7059 4.7202 4.7202 5.0859 5.0859 5.1803 5.1803 8.6981 8.6981 8.7086 8.7086 9.7250 9.7250 9.7596 9.7596 10.0377 10.0377 k = 0.2542 0.3083 0.4107 ( 16066 PWs) bands (ev): -14.0118 -14.0118 -14.0117 -14.0117 -6.2733 -6.2733 -6.2700 -6.2700 -2.8936 -2.8936 -2.8459 -2.8459 -1.5938 -1.5938 -1.5643 -1.5643 -1.2233 -1.2233 -1.2017 -1.2017 0.8675 0.8675 0.8727 0.8727 1.8119 1.8119 1.8412 1.8412 1.9084 1.9084 1.9443 1.9443 2.7837 2.7837 2.8139 2.8139 3.5502 3.5502 3.6672 3.6672 3.7044 3.7044 3.7936 3.7936 4.7069 4.7069 4.7254 4.7254 5.0886 5.0886 5.1865 5.1865 8.7103 8.7103 8.7233 8.7233 9.6796 9.6796 9.7254 9.7254 10.0151 10.0151 k = 0.2432 0.2949 0.4107 ( 16082 PWs) bands (ev): -14.0121 -14.0121 -14.0120 -14.0120 -6.2733 -6.2733 -6.2700 -6.2700 -2.8900 -2.8900 -2.8442 -2.8442 -1.5882 -1.5882 -1.5612 -1.5612 -1.2222 -1.2222 -1.2021 -1.2021 0.8668 0.8668 0.8733 0.8733 1.8112 1.8112 1.8409 1.8409 1.9030 1.9030 1.9459 1.9459 2.7839 2.7839 2.8091 2.8091 3.5396 3.5396 3.6653 3.6653 3.7031 3.7031 3.7917 3.7917 4.7082 4.7082 4.7310 4.7310 5.0937 5.0937 5.1946 5.1946 8.7206 8.7206 8.7365 8.7365 9.6263 9.6263 9.6778 9.6778 9.9860 9.9860 k = 0.2321 0.2815 0.4107 ( 16082 PWs) bands (ev): -14.0125 -14.0125 -14.0124 -14.0124 -6.2729 -6.2729 -6.2697 -6.2697 -2.8866 -2.8866 -2.8430 -2.8430 -1.5832 -1.5832 -1.5586 -1.5586 -1.2220 -1.2220 -1.2036 -1.2036 0.8662 0.8662 0.8739 0.8739 1.8108 1.8108 1.8407 1.8407 1.8988 1.8988 1.9488 1.9488 2.7847 2.7847 2.8048 2.8048 3.5297 3.5297 3.6634 3.6634 3.7019 3.7019 3.7895 3.7895 4.7099 4.7099 4.7366 4.7366 5.1013 5.1013 5.2047 5.2047 8.7286 8.7286 8.7481 8.7481 9.5664 9.5664 9.6172 9.6172 9.9609 9.9609 k = 0.2211 0.2681 0.4107 ( 16082 PWs) bands (ev): -14.0128 -14.0128 -14.0127 -14.0127 -6.2721 -6.2721 -6.2691 -6.2691 -2.8836 -2.8836 -2.8423 -2.8423 -1.5788 -1.5788 -1.5566 -1.5566 -1.2227 -1.2227 -1.2062 -1.2062 0.8657 0.8657 0.8746 0.8746 1.8110 1.8110 1.8404 1.8404 1.8958 1.8958 1.9531 1.9531 2.7860 2.7860 2.8011 2.8011 3.5207 3.5207 3.6616 3.6616 3.7008 3.7008 3.7869 3.7869 4.7119 4.7119 4.7422 4.7422 5.1113 5.1113 5.2166 5.2166 8.7342 8.7342 8.7577 8.7577 9.5018 9.5018 9.5467 9.5467 9.9475 9.9475 k = 0.2100 0.2547 0.4107 ( 16076 PWs) bands (ev): -14.0131 -14.0131 -14.0130 -14.0130 -6.2710 -6.2710 -6.2680 -6.2680 -2.8809 -2.8809 -2.8420 -2.8420 -1.5751 -1.5751 -1.5551 -1.5551 -1.2243 -1.2243 -1.2098 -1.2098 0.8653 0.8653 0.8753 0.8753 1.8117 1.8117 1.8402 1.8402 1.8940 1.8940 1.9585 1.9585 2.7879 2.7879 2.7982 2.7982 3.5127 3.5127 3.6597 3.6597 3.6997 3.6997 3.7839 3.7839 4.7142 4.7142 4.7476 4.7476 5.1236 5.1236 5.2303 5.2303 8.7370 8.7370 8.7653 8.7653 9.4348 9.4348 9.4707 9.4707 9.9432 9.9432 k = 0.1990 0.2413 0.4107 ( 16082 PWs) bands (ev): -14.0135 -14.0135 -14.0134 -14.0134 -6.2696 -6.2696 -6.2667 -6.2667 -2.8785 -2.8785 -2.8421 -2.8421 -1.5719 -1.5719 -1.5541 -1.5541 -1.2269 -1.2269 -1.2144 -1.2144 0.8651 0.8651 0.8760 0.8760 1.8130 1.8130 1.8401 1.8401 1.8935 1.8935 1.9648 1.9648 2.7903 2.7903 2.7959 2.7959 3.5057 3.5057 3.6579 3.6579 3.6986 3.6986 3.7804 3.7804 4.7166 4.7166 4.7528 4.7528 5.1381 5.1381 5.2456 5.2456 8.7368 8.7368 8.7706 8.7706 9.3673 9.3673 9.3929 9.3929 9.9460 9.9460 k = 0.1879 0.2278 0.4107 ( 16092 PWs) bands (ev): -14.0138 -14.0138 -14.0137 -14.0137 -6.2678 -6.2678 -6.2650 -6.2650 -2.8765 -2.8765 -2.8427 -2.8427 -1.5695 -1.5695 -1.5537 -1.5537 -1.2302 -1.2302 -1.2198 -1.2198 0.8651 0.8651 0.8767 0.8767 1.8147 1.8147 1.8401 1.8401 1.8943 1.8943 1.9721 1.9721 2.7930 2.7930 2.7945 2.7945 3.4997 3.4997 3.6560 3.6560 3.6976 3.6976 3.7766 3.7766 4.7191 4.7191 4.7575 4.7575 5.1546 5.1546 5.2623 5.2623 8.7336 8.7336 8.7734 8.7734 9.3012 9.3012 9.3160 9.3160 9.9544 9.9544 k = 0.1769 0.2144 0.4107 ( 16088 PWs) bands (ev): -14.0141 -14.0141 -14.0141 -14.0141 -6.2657 -6.2657 -6.2631 -6.2631 -2.8749 -2.8749 -2.8436 -2.8436 -1.5676 -1.5676 -1.5537 -1.5537 -1.2342 -1.2342 -1.2258 -1.2258 0.8651 0.8651 0.8773 0.8773 1.8168 1.8168 1.8401 1.8401 1.8963 1.8963 1.9799 1.9799 2.7938 2.7938 2.7961 2.7961 3.4949 3.4949 3.6540 3.6540 3.6966 3.6966 3.7723 3.7723 4.7219 4.7219 4.7619 4.7619 5.1729 5.1729 5.2802 5.2802 8.7272 8.7272 8.7735 8.7735 9.2380 9.2380 9.2421 9.2421 9.9673 9.9673 k = 0.1658 0.2010 0.4107 ( 16100 PWs) bands (ev): -14.0145 -14.0145 -14.0144 -14.0144 -6.2634 -6.2634 -6.2609 -6.2609 -2.8736 -2.8736 -2.8449 -2.8449 -1.5663 -1.5663 -1.5543 -1.5543 -1.2388 -1.2388 -1.2323 -1.2323 0.8654 0.8654 0.8779 0.8779 1.8191 1.8191 1.8401 1.8401 1.8997 1.8997 1.9881 1.9881 2.7939 2.7939 2.7996 2.7996 3.4913 3.4913 3.6520 3.6520 3.6956 3.6956 3.7676 3.7676 4.7247 4.7247 4.7657 4.7657 5.1927 5.1927 5.2989 5.2989 8.7176 8.7176 8.7707 8.7707 9.1726 9.1726 9.1791 9.1791 9.9840 9.9840 k = 0.1548 0.1876 0.4107 ( 16108 PWs) bands (ev): -14.0148 -14.0148 -14.0147 -14.0147 -6.2610 -6.2610 -6.2586 -6.2586 -2.8726 -2.8726 -2.8464 -2.8464 -1.5655 -1.5655 -1.5552 -1.5552 -1.2438 -1.2438 -1.2391 -1.2391 0.8657 0.8657 0.8784 0.8784 1.8215 1.8215 1.8402 1.8402 1.9044 1.9044 1.9964 1.9964 2.7948 2.7948 2.8032 2.8032 3.4888 3.4888 3.6499 3.6499 3.6946 3.6946 3.7624 3.7624 4.7276 4.7276 4.7691 4.7691 5.2136 5.2136 5.3180 5.3180 8.7049 8.7049 8.7646 8.7646 9.1091 9.1091 9.1254 9.1254 10.0037 10.0037 k = 0.1437 0.1742 0.4107 ( 16116 PWs) bands (ev): -14.0151 -14.0151 -14.0151 -14.0151 -6.2583 -6.2583 -6.2561 -6.2561 -2.8719 -2.8719 -2.8482 -2.8482 -1.5653 -1.5653 -1.5566 -1.5566 -1.2492 -1.2492 -1.2460 -1.2460 0.8662 0.8662 0.8788 0.8788 1.8239 1.8239 1.8403 1.8403 1.9103 1.9103 2.0047 2.0047 2.7965 2.7965 2.8070 2.8070 3.4876 3.4876 3.6476 3.6476 3.6936 3.6936 3.7569 3.7569 4.7307 4.7307 4.7720 4.7720 5.2354 5.2354 5.3373 5.3373 8.6895 8.6895 8.7550 8.7550 9.0528 9.0528 9.0776 9.0776 10.0260 10.0260 k = 0.1327 0.1608 0.4107 ( 16116 PWs) bands (ev): -14.0154 -14.0154 -14.0154 -14.0154 -6.2556 -6.2556 -6.2535 -6.2535 -2.8715 -2.8715 -2.8503 -2.8503 -1.5656 -1.5656 -1.5583 -1.5583 -1.2547 -1.2547 -1.2529 -1.2529 0.8667 0.8667 0.8792 0.8792 1.8261 1.8261 1.8405 1.8405 1.9175 1.9175 2.0126 2.0126 2.7988 2.7988 2.8110 2.8110 3.4876 3.4876 3.6451 3.6451 3.6927 3.6927 3.7509 3.7509 4.7338 4.7338 4.7745 4.7745 5.2577 5.2577 5.3562 5.3562 8.6718 8.6718 8.7414 8.7414 9.0046 9.0046 9.0359 9.0359 10.0501 10.0501 k = 0.1216 0.1474 0.4107 ( 16108 PWs) bands (ev): -14.0157 -14.0157 -14.0157 -14.0157 -6.2528 -6.2528 -6.2508 -6.2508 -2.8714 -2.8714 -2.8524 -2.8524 -1.5663 -1.5663 -1.5603 -1.5603 -1.2603 -1.2603 -1.2595 -1.2595 0.8674 0.8674 0.8794 0.8794 1.8281 1.8281 1.8406 1.8406 1.9257 1.9257 2.0200 2.0200 2.8018 2.8018 2.8149 2.8149 3.4888 3.4888 3.6423 3.6423 3.6918 3.6918 3.7446 3.7446 4.7370 4.7370 4.7765 4.7765 5.2802 5.2802 5.3745 5.3745 8.6527 8.6527 8.7238 8.7238 8.9651 8.9651 9.0002 9.0002 10.0754 10.0754 k = 0.1105 0.1340 0.4107 ( 16110 PWs) bands (ev): -14.0160 -14.0160 -14.0160 -14.0160 -6.2500 -6.2500 -6.2482 -6.2482 -2.8715 -2.8715 -2.8547 -2.8547 -1.5674 -1.5674 -1.5626 -1.5626 -1.2659 -1.2659 -1.2658 -1.2658 0.8681 0.8681 0.8796 0.8796 1.8300 1.8300 1.8408 1.8408 1.9347 1.9347 2.0266 2.0266 2.8052 2.8052 2.8188 2.8188 3.4912 3.4912 3.6392 3.6392 3.6910 3.6910 3.7381 3.7381 4.7404 4.7404 4.7781 4.7781 5.3024 5.3024 5.3918 5.3918 8.6331 8.6331 8.7029 8.7029 8.9339 8.9339 8.9701 8.9701 10.1015 10.1015 k = 0.0995 0.1206 0.4107 ( 16118 PWs) bands (ev): -14.0163 -14.0163 -14.0162 -14.0162 -6.2472 -6.2472 -6.2456 -6.2456 -2.8717 -2.8717 -2.8570 -2.8570 -1.5688 -1.5688 -1.5649 -1.5649 -1.2718 -1.2718 -1.2711 -1.2711 0.8689 0.8689 0.8796 0.8796 1.8316 1.8316 1.8409 1.8409 1.9444 1.9444 2.0323 2.0323 2.8091 2.8091 2.8226 2.8226 3.4948 3.4948 3.6357 3.6357 3.6902 3.6902 3.7315 3.7315 4.7437 4.7437 4.7792 4.7792 5.3241 5.3241 5.4076 5.4076 8.6140 8.6140 8.6800 8.6800 8.9102 8.9102 8.9449 8.9449 10.1277 10.1277 k = 0.0884 0.1072 0.4107 ( 16120 PWs) bands (ev): -14.0165 -14.0165 -14.0165 -14.0165 -6.2446 -6.2446 -6.2432 -6.2432 -2.8720 -2.8720 -2.8593 -2.8593 -1.5704 -1.5704 -1.5674 -1.5674 -1.2773 -1.2773 -1.2760 -1.2760 0.8698 0.8698 0.8796 0.8796 1.8330 1.8330 1.8410 1.8410 1.9546 1.9546 2.0369 2.0369 2.8132 2.8132 2.8262 2.8262 3.4996 3.4996 3.6315 3.6315 3.6895 3.6895 3.7250 3.7250 4.7472 4.7472 4.7799 4.7799 5.3450 5.3450 5.4218 5.4218 8.5962 8.5962 8.6566 8.6566 8.8923 8.8923 8.9238 8.9238 10.1534 10.1534 k = 0.0774 0.0938 0.4107 ( 16108 PWs) bands (ev): -14.0167 -14.0167 -14.0167 -14.0167 -6.2421 -6.2421 -6.2409 -6.2409 -2.8724 -2.8724 -2.8616 -2.8616 -1.5721 -1.5721 -1.5698 -1.5698 -1.2821 -1.2821 -1.2806 -1.2806 0.8706 0.8706 0.8795 0.8795 1.8343 1.8343 1.8411 1.8411 1.9650 1.9650 2.0404 2.0404 2.8174 2.8174 2.8295 2.8295 3.5055 3.5055 3.6266 3.6266 3.6890 3.6890 3.7186 3.7186 4.7506 4.7506 4.7802 4.7802 5.3647 5.3647 5.4340 5.4340 8.5806 8.5806 8.6342 8.6342 8.8789 8.8789 8.9064 8.9064 10.1781 10.1781 k = 0.0663 0.0804 0.4107 ( 16088 PWs) bands (ev): -14.0169 -14.0169 -14.0169 -14.0169 -6.2399 -6.2399 -6.2388 -6.2388 -2.8728 -2.8728 -2.8637 -2.8637 -1.5738 -1.5738 -1.5722 -1.5722 -1.2863 -1.2863 -1.2847 -1.2847 0.8715 0.8715 0.8793 0.8793 1.8355 1.8355 1.8411 1.8411 1.9754 1.9754 2.0425 2.0425 2.8216 2.8216 2.8324 2.8324 3.5124 3.5124 3.6209 3.6209 3.6885 3.6885 3.7127 3.7127 4.7540 4.7540 4.7801 4.7801 5.3830 5.3830 5.4440 5.4440 8.5674 8.5674 8.6137 8.6137 8.8688 8.8688 8.8919 8.8919 10.2010 10.2010 k = 0.0553 0.0670 0.4107 ( 16078 PWs) bands (ev): -14.0171 -14.0171 -14.0171 -14.0171 -6.2379 -6.2379 -6.2370 -6.2370 -2.8731 -2.8731 -2.8657 -2.8657 -1.5754 -1.5754 -1.5743 -1.5743 -1.2898 -1.2898 -1.2883 -1.2883 0.8724 0.8724 0.8790 0.8790 1.8365 1.8365 1.8411 1.8411 1.9855 1.9855 2.0433 2.0433 2.8255 2.8255 2.8348 2.8348 3.5203 3.5203 3.6142 3.6142 3.6883 3.6883 3.7073 3.7073 4.7574 4.7574 4.7797 4.7797 5.3997 5.3997 5.4518 5.4518 8.5571 8.5571 8.5958 8.5958 8.8613 8.8613 8.8800 8.8800 10.2218 10.2218 k = 0.0442 0.0536 0.4107 ( 16074 PWs) bands (ev): -14.0172 -14.0172 -14.0172 -14.0172 -6.2362 -6.2362 -6.2354 -6.2354 -2.8733 -2.8733 -2.8675 -2.8675 -1.5769 -1.5769 -1.5762 -1.5762 -1.2927 -1.2927 -1.2913 -1.2913 0.8733 0.8733 0.8786 0.8786 1.8374 1.8374 1.8410 1.8410 1.9954 1.9954 2.0428 2.0428 2.8292 2.8292 2.8368 2.8368 3.5290 3.5290 3.6066 3.6066 3.6882 3.6882 3.7026 3.7026 4.7606 4.7606 4.7788 4.7788 5.4147 5.4147 5.4572 5.4572 8.5496 8.5496 8.5805 8.5805 8.8558 8.8558 8.8704 8.8704 10.2399 10.2399 k = 0.0332 0.0402 0.4107 ( 16070 PWs) bands (ev): -14.0173 -14.0173 -14.0173 -14.0173 -6.2348 -6.2348 -6.2342 -6.2342 -2.8734 -2.8734 -2.8691 -2.8691 -1.5782 -1.5782 -1.5777 -1.5777 -1.2948 -1.2948 -1.2937 -1.2937 0.8741 0.8741 0.8782 0.8782 1.8381 1.8381 1.8408 1.8408 2.0046 2.0046 2.0409 2.0409 2.8324 2.8324 2.8382 2.8382 3.5384 3.5384 3.5981 3.5981 3.6884 3.6884 3.6987 3.6987 4.7638 4.7638 4.7776 4.7776 5.4278 5.4278 5.4601 5.4601 8.5448 8.5448 8.5680 8.5680 8.8521 8.8521 8.8627 8.8627 10.2549 10.2549 k = 0.0221 0.0268 0.4107 ( 16076 PWs) bands (ev): -14.0174 -14.0174 -14.0174 -14.0174 -6.2337 -6.2337 -6.2334 -6.2334 -2.8733 -2.8733 -2.8705 -2.8705 -1.5791 -1.5791 -1.5788 -1.5788 -1.2963 -1.2963 -1.2956 -1.2956 0.8749 0.8749 0.8777 0.8777 1.8388 1.8388 1.8406 1.8406 2.0132 2.0132 2.0377 2.0377 2.8350 2.8350 2.8389 2.8389 3.5483 3.5483 3.5889 3.5889 3.6889 3.6889 3.6955 3.6955 4.7667 4.7667 4.7761 4.7761 5.4388 5.4388 5.4606 5.4606 8.5426 8.5426 8.5581 8.5581 8.8500 8.8500 8.8570 8.8570 10.2664 10.2664 k = 0.0111 0.0134 0.4107 ( 16072 PWs) bands (ev): -14.0174 -14.0174 -14.0174 -14.0174 -6.2331 -6.2331 -6.2329 -6.2329 -2.8729 -2.8729 -2.8715 -2.8715 -1.5797 -1.5797 -1.5796 -1.5796 -1.2971 -1.2971 -1.2967 -1.2967 0.8757 0.8757 0.8771 0.8771 1.8394 1.8394 1.8403 1.8403 2.0209 2.0209 2.0332 2.0332 2.8370 2.8370 2.8390 2.8390 3.5585 3.5585 3.5790 3.5790 3.6898 3.6898 3.6930 3.6930 4.7695 4.7695 4.7742 4.7742 5.4477 5.4477 5.4586 5.4586 8.5430 8.5430 8.5507 8.5507 8.8494 8.8494 8.8529 8.8529 10.2741 10.2756 k = 0.0000 0.0000 0.4107 ( 16072 PWs) bands (ev): -14.0175 -14.0175 -14.0175 -14.0175 -6.2328 -6.2328 -6.2328 -6.2328 -2.8724 -2.8724 -2.8724 -2.8724 -1.5798 -1.5798 -1.5798 -1.5798 -1.2973 -1.2973 -1.2973 -1.2973 0.8764 0.8764 0.8764 0.8764 1.8399 1.8399 1.8399 1.8399 2.0276 2.0276 2.0276 2.0276 2.8383 2.8383 2.8383 2.8383 3.5689 3.5689 3.5689 3.5689 3.6912 3.6912 3.6912 3.6912 4.7720 4.7720 4.7720 4.7720 5.4543 5.4543 5.4543 5.4543 8.5457 8.5457 8.5457 8.5457 8.8504 8.8504 8.8504 8.8504 10.2776 10.2776 k = 0.0000 0.0000 0.4107 ( 16072 PWs) bands (ev): -14.0175 -14.0175 -14.0175 -14.0175 -6.2328 -6.2328 -6.2328 -6.2328 -2.8724 -2.8724 -2.8724 -2.8724 -1.5798 -1.5798 -1.5798 -1.5798 -1.2973 -1.2973 -1.2973 -1.2973 0.8764 0.8764 0.8764 0.8764 1.8399 1.8399 1.8399 1.8399 2.0276 2.0276 2.0276 2.0276 2.8383 2.8383 2.8383 2.8383 3.5689 3.5689 3.5689 3.5689 3.6912 3.6912 3.6912 3.6912 4.7720 4.7720 4.7720 4.7720 5.4543 5.4543 5.4543 5.4543 8.5457 8.5457 8.5457 8.5457 8.8504 8.8504 8.8504 8.8504 10.2776 10.2776 k = 0.0000 0.0000 0.3936 ( 16080 PWs) bands (ev): -14.0223 -14.0223 -14.0126 -14.0126 -6.2573 -6.2573 -6.2079 -6.2079 -2.8836 -2.8836 -2.8612 -2.8612 -1.5902 -1.5902 -1.5705 -1.5705 -1.3079 -1.3079 -1.2861 -1.2861 0.8329 0.8329 0.9189 0.9189 1.8008 1.8008 1.8772 1.8772 2.0059 2.0059 2.0537 2.0537 2.8327 2.8327 2.8457 2.8457 3.5352 3.5352 3.5994 3.5994 3.6820 3.6820 3.7047 3.7047 4.7628 4.7628 4.7783 4.7783 5.4175 5.4175 5.4899 5.4899 8.5070 8.5070 8.5865 8.5865 8.8315 8.8315 8.8704 8.8704 10.1888 10.1888 k = 0.0000 0.0000 0.3765 ( 16100 PWs) bands (ev): -14.0272 -14.0272 -14.0077 -14.0077 -6.2812 -6.2812 -6.1828 -6.1828 -2.8948 -2.8948 -2.8502 -2.8502 -1.6016 -1.6016 -1.5620 -1.5620 -1.3179 -1.3179 -1.2747 -1.2747 0.7890 0.7890 0.9596 0.9596 1.7617 1.7617 1.9109 1.9109 1.9876 1.9876 2.0853 2.0853 2.8289 2.8289 2.8548 2.8548 3.5007 3.5007 3.6224 3.6224 3.6783 3.6783 3.7236 3.7236 4.7506 4.7506 4.7821 4.7821 5.3795 5.3795 5.5243 5.5243 8.4709 8.4709 8.6289 8.6289 8.8143 8.8143 8.8908 8.8908 10.1054 10.1054 k = 0.0000 0.0000 0.3593 ( 16098 PWs) bands (ev): -14.0320 -14.0320 -14.0029 -14.0029 -6.3047 -6.3047 -6.1575 -6.1575 -2.9061 -2.9061 -2.8391 -2.8391 -1.6142 -1.6142 -1.5543 -1.5543 -1.3268 -1.3268 -1.2633 -1.2633 0.7453 0.7453 0.9975 0.9975 1.7240 1.7240 1.9395 1.9395 1.9724 1.9724 2.1232 2.1232 2.8270 2.8270 2.8654 2.8654 3.4667 3.4667 3.6329 3.6329 3.6826 3.6826 3.7488 3.7488 4.7354 4.7354 4.7837 4.7837 5.3405 5.3405 5.5573 5.5573 8.4372 8.4372 8.6709 8.6709 8.8002 8.8002 8.9109 8.9109 10.0288 10.0288 k = 0.0000 0.0000 0.3422 ( 16100 PWs) bands (ev): -14.0367 -14.0367 -13.9981 -13.9981 -6.3275 -6.3275 -6.1320 -6.1320 -2.9175 -2.9175 -2.8282 -2.8282 -1.6279 -1.6279 -1.5473 -1.5473 -1.3346 -1.3346 -1.2520 -1.2520 0.7021 0.7021 1.0315 1.0315 1.6893 1.6893 1.9536 1.9536 1.9689 1.9689 2.1671 2.1671 2.8272 2.8272 2.8774 2.8774 3.4341 3.4341 3.6332 3.6332 3.6928 3.6928 3.7792 3.7792 4.7171 4.7171 4.7835 4.7835 5.3006 5.3006 5.5889 5.5889 8.4062 8.4062 8.7055 8.7055 8.7952 8.7952 8.9295 8.9295 9.9606 9.9606 k = 0.0000 0.0000 0.3251 ( 16098 PWs) bands (ev): -14.0414 -14.0414 -13.9935 -13.9935 -6.3497 -6.3497 -6.1066 -6.1066 -2.9290 -2.9290 -2.8173 -2.8173 -1.6429 -1.6429 -1.5409 -1.5409 -1.3409 -1.3409 -1.2410 -1.2410 0.6598 0.6598 1.0603 1.0603 1.6587 1.6587 1.9439 1.9439 1.9871 1.9871 2.2160 2.2160 2.8295 2.8295 2.8907 2.8907 3.4036 3.4036 3.6294 3.6294 3.7042 3.7042 3.8123 3.8123 4.6957 4.6957 4.7821 4.7821 5.2599 5.2599 5.6191 5.6191 8.3777 8.3777 8.7160 8.7160 8.8144 8.8144 8.9457 8.9457 9.9023 9.9023 k = 0.0000 0.0000 0.3080 ( 16100 PWs) bands (ev): -14.0459 -14.0459 -13.9889 -13.9889 -6.3711 -6.3711 -6.0813 -6.0813 -2.9406 -2.9406 -2.8066 -2.8066 -1.6589 -1.6589 -1.5350 -1.5350 -1.3458 -1.3458 -1.2303 -1.2303 0.6186 0.6186 1.0826 1.0826 1.6332 1.6332 1.9338 1.9338 2.0042 2.0042 2.2686 2.2686 2.8341 2.8341 2.9050 2.9050 3.3758 3.3758 3.6246 3.6246 3.7153 3.7153 3.8457 3.8457 4.6713 4.6713 4.7801 4.7801 5.2186 5.2186 5.6478 5.6478 8.3515 8.3515 8.7026 8.7026 8.8550 8.8550 8.9592 8.9592 9.8554 9.8554 k = 0.0000 0.0000 0.2909 ( 16092 PWs) bands (ev): -14.0504 -14.0504 -13.9844 -13.9844 -6.3917 -6.3917 -6.0562 -6.0562 -2.9522 -2.9522 -2.7959 -2.7959 -1.6759 -1.6759 -1.5296 -1.5296 -1.3492 -1.3492 -1.2201 -1.2201 0.5787 0.5787 1.0972 1.0972 1.6138 1.6138 1.9251 1.9251 2.0191 2.0191 2.3239 2.3239 2.8412 2.8412 2.9202 2.9202 3.3512 3.3512 3.6197 3.6197 3.7259 3.7259 3.8777 3.8777 4.6440 4.6440 4.7783 4.7783 5.1768 5.1768 5.6751 5.6751 8.3276 8.3276 8.6777 8.6777 8.8987 8.8987 8.9730 8.9730 9.8215 9.8215 k = 0.0000 0.0000 0.2738 ( 16092 PWs) bands (ev): -14.0546 -14.0546 -13.9801 -13.9801 -6.4114 -6.4114 -6.0314 -6.0314 -2.9639 -2.9639 -2.7855 -2.7855 -1.6936 -1.6936 -1.5247 -1.5247 -1.3511 -1.3511 -1.2103 -1.2103 0.5403 0.5403 1.1035 1.1035 1.6007 1.6007 1.9182 1.9182 2.0322 2.0322 2.3809 2.3809 2.8507 2.8507 2.9360 2.9360 3.3304 3.3304 3.6151 3.6151 3.7361 3.7361 3.9070 3.9070 4.6141 4.6141 4.7776 4.7776 5.1348 5.1348 5.7008 5.7008 8.3056 8.3056 8.6456 8.6456 8.9248 8.9248 9.0015 9.0015 9.8014 9.8014 k = 0.0000 0.0000 0.2567 ( 16096 PWs) bands (ev): -14.0588 -14.0588 -13.9759 -13.9759 -6.4302 -6.4302 -6.0071 -6.0071 -2.9756 -2.9756 -2.7753 -2.7753 -1.7118 -1.7118 -1.5202 -1.5202 -1.3517 -1.3517 -1.2011 -1.2011 0.5034 0.5034 1.1018 1.1018 1.5933 1.5933 1.9131 1.9131 2.0438 2.0438 2.4388 2.4388 2.8630 2.8630 2.9519 2.9519 3.3140 3.3140 3.6110 3.6110 3.7458 3.7458 3.9322 3.9322 4.5816 4.5816 4.7787 4.7787 5.0928 5.0928 5.7250 5.7250 8.2851 8.2851 8.6075 8.6075 8.9238 8.9238 9.0519 9.0519 9.7955 9.7955 k = 0.0000 0.0000 0.2396 ( 16100 PWs) bands (ev): -14.0627 -14.0627 -13.9720 -13.9720 -6.4480 -6.4480 -5.9835 -5.9835 -2.9873 -2.9873 -2.7653 -2.7653 -1.7302 -1.7302 -1.5160 -1.5160 -1.3509 -1.3509 -1.1923 -1.1923 0.4682 0.4682 1.0929 1.0929 1.5906 1.5906 1.9098 1.9098 2.0540 2.0540 2.4967 2.4967 2.8782 2.8782 2.9676 2.9676 3.3029 3.3029 3.6075 3.6075 3.7551 3.7551 3.9523 3.9523 4.5469 4.5469 4.7826 4.7826 5.0511 5.0511 5.7477 5.7477 8.2658 8.2658 8.5647 8.5647 8.9071 8.9071 9.1118 9.1118 9.8032 9.8032 k = 0.0000 0.0000 0.2225 ( 16092 PWs) bands (ev): -14.0665 -14.0665 -13.9682 -13.9682 -6.4648 -6.4648 -5.9606 -5.9606 -2.9989 -2.9989 -2.7556 -2.7556 -1.7485 -1.7485 -1.5123 -1.5123 -1.3491 -1.3491 -1.1839 -1.1839 0.4348 0.4348 1.0786 1.0786 1.5909 1.5909 1.9082 1.9082 2.0631 2.0631 2.5538 2.5538 2.8962 2.8962 2.9827 2.9827 3.2977 3.2977 3.6046 3.6046 3.7638 3.7638 3.9664 3.9664 4.5101 4.5101 4.7896 4.7896 5.0100 5.0100 5.7688 5.7688 8.2466 8.2466 8.5189 8.5189 8.8801 8.8801 9.1757 9.1757 9.8235 9.8235 k = 0.0000 0.0000 0.2053 ( 16104 PWs) bands (ev): -14.0700 -14.0700 -13.9646 -13.9646 -6.4805 -6.4805 -5.9385 -5.9385 -3.0104 -3.0104 -2.7464 -2.7464 -1.7666 -1.7666 -1.5088 -1.5088 -1.3464 -1.3464 -1.1760 -1.1760 0.4033 0.4033 1.0602 1.0602 1.5928 1.5928 1.9082 1.9082 2.0711 2.0711 2.6088 2.6088 2.9171 2.9171 2.9971 2.9971 3.2992 3.2992 3.6023 3.6023 3.7719 3.7719 3.9738 3.9738 4.4715 4.4715 4.8001 4.8001 4.9702 4.9702 5.7884 5.7884 8.2267 8.2267 8.4723 8.4723 8.8452 8.8452 9.2420 9.2420 9.8546 9.8546 k = 0.0000 0.0000 0.1882 ( 16112 PWs) bands (ev): -14.0733 -14.0733 -13.9612 -13.9612 -6.4951 -6.4951 -5.9176 -5.9176 -3.0217 -3.0217 -2.7375 -2.7375 -1.7840 -1.7840 -1.5056 -1.5056 -1.3430 -1.3430 -1.1686 -1.1686 0.3738 0.3738 1.0395 1.0395 1.5951 1.5951 1.9095 1.9095 2.0781 2.0781 2.6605 2.6605 2.9405 2.9405 3.0113 3.0113 3.3079 3.3079 3.6008 3.6008 3.7793 3.7793 3.9745 3.9745 4.4312 4.4312 4.8130 4.8130 4.9330 4.9330 5.8065 5.8065 8.2043 8.2043 8.4278 8.4278 8.8046 8.8046 9.3098 9.3098 9.8942 9.8942 k = 0.0000 0.0000 0.1711 ( 16102 PWs) bands (ev): -14.0764 -14.0764 -13.9581 -13.9581 -6.5086 -6.5086 -5.8977 -5.8977 -3.0326 -3.0326 -2.7292 -2.7292 -1.8006 -1.8006 -1.5027 -1.5027 -1.3392 -1.3392 -1.1616 -1.1616 0.3463 0.3463 1.0176 1.0176 1.5973 1.5973 1.9116 1.9116 2.0842 2.0842 2.7077 2.7077 2.9650 2.9650 3.0268 3.0268 3.3240 3.3240 3.6001 3.6001 3.7857 3.7857 3.9685 3.9685 4.3894 4.3894 4.8248 4.8248 4.9019 4.9019 5.8230 5.8230 8.1779 8.1779 8.3884 8.3884 8.7600 8.7600 9.3784 9.3784 9.9400 9.9400 k = 0.0000 0.0000 0.1540 ( 16108 PWs) bands (ev): -14.0792 -14.0792 -13.9552 -13.9552 -6.5208 -6.5208 -5.8793 -5.8793 -3.0431 -3.0431 -2.7214 -2.7214 -1.8162 -1.8162 -1.5001 -1.5001 -1.3351 -1.3351 -1.1551 -1.1551 0.3209 0.3209 0.9956 0.9956 1.5987 1.5987 1.9144 1.9144 2.0894 2.0894 2.7491 2.7491 2.9873 2.9873 3.0470 3.0470 3.3473 3.3473 3.6002 3.6002 3.7909 3.7909 3.9567 3.9567 4.3463 4.3463 4.8228 4.8228 4.8894 4.8894 5.8380 5.8380 8.1462 8.1462 8.3565 8.3565 8.7135 8.7135 9.4472 9.4472 9.9894 9.9894 k = 0.0000 0.0000 0.1369 ( 16104 PWs) bands (ev): -14.0818 -14.0818 -13.9527 -13.9527 -6.5319 -6.5319 -5.8623 -5.8623 -3.0530 -3.0530 -2.7143 -2.7143 -1.8306 -1.8306 -1.4977 -1.4977 -1.3308 -1.3308 -1.1491 -1.1491 0.2979 0.2979 0.9742 0.9742 1.5995 1.5995 1.9174 1.9174 2.0939 2.0939 2.7840 2.7840 3.0046 3.0046 3.0746 3.0746 3.3772 3.3772 3.6013 3.6013 3.7944 3.7944 3.9401 3.9401 4.3020 4.3020 4.8005 4.8005 4.9012 4.9012 5.8514 5.8514 8.1097 8.1097 8.3326 8.3326 8.6668 8.6668 9.5155 9.5155 10.0396 10.0396 k = 0.0000 0.0000 0.1198 ( 16102 PWs) bands (ev): -14.0840 -14.0840 -13.9503 -13.9503 -6.5418 -6.5418 -5.8469 -5.8469 -3.0621 -3.0621 -2.7078 -2.7078 -1.8435 -1.8435 -1.4955 -1.4955 -1.3267 -1.3267 -1.1435 -1.1435 0.2771 0.2771 0.9541 0.9541 1.5997 1.5997 1.9203 1.9203 2.0975 2.0975 2.8124 2.8124 3.0174 3.0174 3.1085 3.1085 3.4130 3.4130 3.6035 3.6035 3.7954 3.7954 3.9204 3.9204 4.2567 4.2567 4.7723 4.7723 4.9226 4.9226 5.8632 5.8632 8.0706 8.0706 8.3159 8.3159 8.6217 8.6217 9.5825 9.5825 10.0881 10.0881 k = 0.0000 0.0000 0.1027 ( 16094 PWs) bands (ev): -14.0860 -14.0860 -13.9483 -13.9483 -6.5503 -6.5503 -5.8332 -5.8332 -3.0704 -3.0704 -2.7020 -2.7020 -1.8550 -1.8550 -1.4937 -1.4937 -1.3228 -1.3228 -1.1386 -1.1386 0.2589 0.2589 0.9358 0.9358 1.5994 1.5994 1.9230 1.9230 2.1006 2.1006 2.8345 2.8345 3.0277 3.0277 3.1451 3.1451 3.4533 3.4533 3.6072 3.6072 3.7927 3.7927 3.8999 3.8999 4.2107 4.2107 4.7447 4.7447 4.9460 4.9460 5.8735 5.8735 8.0314 8.0314 8.3044 8.3044 8.5795 8.5795 9.6471 9.6471 10.1327 10.1327 k = 0.0000 0.0000 0.0856 ( 16094 PWs) bands (ev): -14.0877 -14.0877 -13.9466 -13.9466 -6.5576 -6.5576 -5.8214 -5.8214 -3.0777 -3.0777 -2.6971 -2.6971 -1.8649 -1.8649 -1.4921 -1.4921 -1.3192 -1.3192 -1.1342 -1.1342 0.2432 0.2432 0.9198 0.9198 1.5988 1.5988 1.9253 1.9253 2.1030 2.1030 2.8513 2.8513 3.0369 3.0369 3.1818 3.1818 3.4963 3.4963 3.6130 3.6130 3.7850 3.7850 3.8809 3.8809 4.1647 4.1647 4.7197 4.7197 4.9689 4.9689 5.8822 5.8822 7.9946 7.9946 8.2968 8.2968 8.5415 8.5415 9.7078 9.7078 10.1714 10.1714 k = 0.0000 0.0000 0.0684 ( 16078 PWs) bands (ev): -14.0891 -14.0891 -13.9451 -13.9451 -6.5636 -6.5636 -5.8116 -5.8116 -3.0839 -3.0839 -2.6929 -2.6929 -1.8731 -1.8731 -1.4907 -1.4907 -1.3161 -1.3161 -1.1305 -1.1305 0.2302 0.2302 0.9062 0.9062 1.5980 1.5980 1.9272 1.9272 2.1049 2.1049 2.8634 2.8634 3.0450 3.0450 3.2161 3.2161 3.5387 3.5387 3.6226 3.6226 3.7717 3.7717 3.8652 3.8652 4.1198 4.1198 4.6982 4.6982 4.9896 4.9896 5.8894 5.8894 7.9621 7.9621 8.2918 8.2918 8.5089 8.5089 9.7629 9.7629 10.2031 10.2031 k = 0.0000 0.0000 0.0513 ( 16078 PWs) bands (ev): -14.0902 -14.0902 -13.9440 -13.9440 -6.5683 -6.5683 -5.8039 -5.8039 -3.0888 -3.0888 -2.6897 -2.6897 -1.8795 -1.8795 -1.4897 -1.4897 -1.3136 -1.3136 -1.1276 -1.1276 0.2200 0.2200 0.8954 0.8954 1.5973 1.5973 1.9287 1.9287 2.1063 2.1063 2.8719 2.8719 3.0520 3.0520 3.2461 3.2461 3.5747 3.5747 3.6385 3.6385 3.7557 3.7557 3.8519 3.8519 4.0778 4.0778 4.6809 4.6809 5.0070 5.0070 5.8949 5.8949 7.9355 7.9355 8.2886 8.2886 8.4826 8.4826 9.8101 9.8101 10.2273 10.2273 k = 0.0000 0.0000 0.0342 ( 16062 PWs) bands (ev): -14.0910 -14.0910 -13.9432 -13.9432 -6.5716 -6.5716 -5.7983 -5.7983 -3.0924 -3.0924 -2.6874 -2.6874 -1.8841 -1.8841 -1.4889 -1.4889 -1.3118 -1.3118 -1.1255 -1.1255 0.2127 0.2127 0.8875 0.8875 1.5967 1.5967 1.9297 1.9297 2.1073 2.1073 2.8774 2.8774 3.0573 3.0573 3.2697 3.2697 3.5991 3.5991 3.6591 3.6591 3.7451 3.7451 3.8376 3.8376 4.0422 4.0422 4.6682 4.6682 5.0200 5.0200 5.8989 5.8989 7.9156 7.9156 8.2868 8.2868 8.4632 8.4632 9.8467 9.8467 10.2441 10.2441 k = 0.0000 0.0000 0.0171 ( 16065 PWs) bands (ev): -14.0915 -14.0915 -13.9427 -13.9427 -6.5736 -6.5736 -5.7950 -5.7950 -3.0946 -3.0946 -2.6859 -2.6859 -1.8869 -1.8869 -1.4885 -1.4885 -1.3107 -1.3107 -1.1242 -1.1242 0.2083 0.2083 0.8828 0.8828 1.5963 1.5963 1.9304 1.9304 2.1079 2.1079 2.8805 2.8805 3.0606 3.0606 3.2849 3.2849 3.6139 3.6139 3.6691 3.6691 3.7521 3.7521 3.8202 3.8202 4.0178 4.0178 4.6605 4.6605 5.0281 5.0281 5.9013 5.9013 7.9035 7.9035 8.2858 8.2858 8.4513 8.4513 9.8701 9.8701 10.2540 10.2540 k = 0.0000 0.0000 0.0000 ( 16055 PWs) bands (ev): -14.0917 -14.0917 -13.9426 -13.9426 -6.5743 -6.5743 -5.7938 -5.7938 -3.0953 -3.0953 -2.6855 -2.6855 -1.8879 -1.8879 -1.4883 -1.4883 -1.3103 -1.3103 -1.1237 -1.1237 0.2068 0.2068 0.8812 0.8812 1.5962 1.5962 1.9306 1.9306 2.1081 2.1081 2.8815 2.8815 3.0618 3.0618 3.2902 3.2902 3.6198 3.6198 3.6688 3.6688 3.7642 3.7642 3.8077 3.8077 4.0091 4.0091 4.6579 4.6579 5.0309 5.0309 5.9021 5.9021 7.8993 7.8993 8.2855 8.2855 8.4473 8.4473 9.8781 9.8781 10.2572 10.2572 k = 0.0000 0.0000 0.0000 ( 16055 PWs) bands (ev): -14.0917 -14.0917 -13.9426 -13.9426 -6.5743 -6.5743 -5.7938 -5.7938 -3.0953 -3.0953 -2.6855 -2.6855 -1.8879 -1.8879 -1.4883 -1.4883 -1.3103 -1.3103 -1.1237 -1.1237 0.2068 0.2068 0.8812 0.8812 1.5962 1.5962 1.9306 1.9306 2.1081 2.1081 2.8815 2.8815 3.0618 3.0618 3.2902 3.2902 3.6198 3.6198 3.6688 3.6688 3.7642 3.7642 3.8077 3.8077 4.0091 4.0091 4.6579 4.6579 5.0309 5.0309 5.9021 5.9021 7.8993 7.8993 8.2855 8.2855 8.4473 8.4473 9.8781 9.8781 10.2572 10.2572 k =-0.0132 0.0109 0.0000 ( 16057 PWs) bands (ev): -14.0916 -14.0916 -13.9426 -13.9426 -6.5745 -6.5745 -5.7937 -5.7937 -3.0951 -3.0951 -2.6858 -2.6858 -1.8875 -1.8875 -1.4884 -1.4884 -1.3107 -1.3107 -1.1246 -1.1246 0.2071 0.2071 0.8814 0.8814 1.5963 1.5963 1.9309 1.9309 2.1082 2.1082 2.8816 2.8816 3.0612 3.0612 3.2902 3.2902 3.6188 3.6188 3.6672 3.6672 3.7618 3.7618 3.8102 3.8102 4.0102 4.0102 4.6574 4.6574 5.0310 5.0310 5.9022 5.9022 7.8979 7.8979 8.2865 8.2865 8.4597 8.4597 9.8703 9.8703 10.2550 10.2550 k =-0.0263 0.0217 0.0000 ( 16081 PWs) bands (ev): -14.0915 -14.0915 -13.9427 -13.9427 -6.5749 -6.5749 -5.7933 -5.7933 -3.0944 -3.0944 -2.6868 -2.6868 -1.8863 -1.8863 -1.4885 -1.4885 -1.3120 -1.3120 -1.1271 -1.1271 0.2082 0.2082 0.8822 0.8822 1.5968 1.5968 1.9320 1.9320 2.1086 2.1086 2.8820 2.8820 3.0595 3.0595 3.2903 3.2903 3.6155 3.6155 3.6628 3.6628 3.7567 3.7567 3.8160 3.8160 4.0133 4.0133 4.6561 4.6561 5.0314 5.0314 5.9027 5.9027 7.8945 7.8945 8.2910 8.2910 8.4944 8.4944 9.8475 9.8475 10.2483 10.2483 k =-0.0395 0.0326 0.0000 ( 16093 PWs) bands (ev): -14.0912 -14.0912 -13.9427 -13.9427 -6.5755 -6.5755 -5.7927 -5.7927 -3.0933 -3.0933 -2.6884 -2.6884 -1.8843 -1.8843 -1.4887 -1.4887 -1.3141 -1.3141 -1.1314 -1.1314 0.2099 0.2099 0.8835 0.8835 1.5977 1.5977 1.9338 1.9338 2.1092 2.1092 2.8826 2.8826 3.0567 3.0567 3.2905 3.2905 3.6094 3.6094 3.6567 3.6567 3.7516 3.7516 3.8223 3.8223 4.0177 4.0177 4.6539 4.6539 5.0320 5.0320 5.9034 5.9034 7.8912 7.8912 8.3015 8.3015 8.5466 8.5466 9.8116 9.8116 10.2369 10.2369 k =-0.0526 0.0434 0.0000 ( 16095 PWs) bands (ev): -14.0909 -14.0909 -13.9428 -13.9428 -6.5764 -6.5764 -5.7918 -5.7918 -3.0917 -3.0917 -2.6907 -2.6907 -1.8816 -1.8816 -1.4889 -1.4889 -1.3170 -1.3170 -1.1371 -1.1371 0.2122 0.2122 0.8851 0.8851 1.5988 1.5988 1.9363 1.9363 2.1102 2.1102 2.8835 2.8835 3.0529 3.0529 3.2909 3.2909 3.6000 3.6000 3.6505 3.6505 3.7476 3.7476 3.8278 3.8278 4.0226 4.0226 4.6508 4.6508 5.0328 5.0328 5.9045 5.9045 7.8905 7.8905 8.3191 8.3191 8.6119 8.6119 9.7652 9.7652 10.2207 10.2207 k =-0.0658 0.0543 0.0000 ( 16105 PWs) bands (ev): -14.0905 -14.0905 -13.9430 -13.9430 -6.5775 -6.5775 -5.7907 -5.7907 -3.0898 -3.0898 -2.6935 -2.6935 -1.8782 -1.8782 -1.4894 -1.4894 -1.3206 -1.3206 -1.1443 -1.1443 0.2149 0.2149 0.8870 0.8870 1.6003 1.6003 1.9394 1.9394 2.1115 2.1115 2.8846 2.8846 3.0480 3.0480 3.2915 3.2915 3.5878 3.5878 3.6451 3.6451 3.7449 3.7449 3.8322 3.8322 4.0269 4.0269 4.6469 4.6469 5.0337 5.0337 5.9060 5.9060 7.8950 7.8950 8.3442 8.3442 8.6870 8.6870 9.7108 9.7108 10.1996 10.1996 k =-0.0789 0.0651 0.0000 ( 16099 PWs) bands (ev): -14.0900 -14.0900 -13.9432 -13.9432 -6.5788 -6.5788 -5.7895 -5.7895 -3.0874 -3.0874 -2.6969 -2.6969 -1.8741 -1.8741 -1.4899 -1.4899 -1.3249 -1.3249 -1.1527 -1.1527 0.2180 0.2180 0.8891 0.8891 1.6020 1.6020 1.9433 1.9433 2.1130 2.1130 2.8860 2.8860 3.0422 3.0422 3.2925 3.2925 3.5739 3.5739 3.6404 3.6404 3.7432 3.7432 3.8353 3.8353 4.0299 4.0299 4.6421 4.6421 5.0347 5.0347 5.9080 5.9080 7.9064 7.9064 8.3764 8.3764 8.7696 8.7696 9.6508 9.6508 10.1735 10.1735 k =-0.0921 0.0760 0.0000 ( 16103 PWs) bands (ev): -14.0895 -14.0895 -13.9434 -13.9434 -6.5802 -6.5802 -5.7882 -5.7882 -3.0848 -3.0848 -2.7008 -2.7008 -1.8695 -1.8695 -1.4907 -1.4907 -1.3297 -1.3297 -1.1622 -1.1622 0.2214 0.2214 0.8912 0.8912 1.6040 1.6040 1.9478 1.9478 2.1150 2.1150 2.8877 2.8877 3.0358 3.0358 3.2939 3.2939 3.5597 3.5597 3.6361 3.6361 3.7422 3.7422 3.8373 3.8373 4.0310 4.0310 4.6366 4.6366 5.0356 5.0356 5.9106 5.9106 7.9259 7.9259 8.4152 8.4152 8.8574 8.8574 9.5871 9.5871 10.1425 10.1425 k =-0.1053 0.0868 0.0000 ( 16081 PWs) bands (ev): -14.0888 -14.0888 -13.9436 -13.9436 -6.5817 -6.5817 -5.7868 -5.7868 -3.0818 -3.0818 -2.7052 -2.7052 -1.8644 -1.8644 -1.4918 -1.4918 -1.3350 -1.3350 -1.1726 -1.1726 0.2248 0.2248 0.8932 0.8932 1.6061 1.6061 1.9528 1.9528 2.1172 2.1172 2.8897 2.8897 3.0290 3.0290 3.2959 3.2959 3.5460 3.5460 3.6318 3.6318 3.7417 3.7417 3.8383 3.8383 4.0298 4.0298 4.6303 4.6303 5.0365 5.0365 5.9138 5.9138 7.9543 7.9543 8.4602 8.4602 8.9483 8.9483 9.5216 9.5216 10.1068 10.1068 k =-0.1184 0.0977 0.0000 ( 16073 PWs) bands (ev): -14.0881 -14.0881 -13.9438 -13.9438 -6.5832 -6.5832 -5.7855 -5.7855 -3.0786 -3.0786 -2.7100 -2.7100 -1.8588 -1.8588 -1.4931 -1.4931 -1.3407 -1.3407 -1.1837 -1.1837 0.2283 0.2283 0.8950 0.8950 1.6084 1.6084 1.9583 1.9583 2.1199 2.1199 2.8919 2.8919 3.0221 3.0221 3.2985 3.2985 3.5336 3.5336 3.6273 3.6273 3.7415 3.7415 3.8383 3.8383 4.0265 4.0265 4.6233 4.6233 5.0374 5.0374 5.9177 5.9177 7.9918 7.9918 8.5109 8.5109 9.0396 9.0396 9.4567 9.4567 10.0669 10.0669 k =-0.1316 0.1085 0.0000 ( 16059 PWs) bands (ev): -14.0873 -14.0873 -13.9441 -13.9441 -6.5847 -6.5847 -5.7842 -5.7842 -3.0753 -3.0753 -2.7151 -2.7151 -1.8529 -1.8529 -1.4946 -1.4946 -1.3468 -1.3468 -1.1953 -1.1953 0.2316 0.2316 0.8966 0.8966 1.6106 1.6106 1.9642 1.9642 2.1228 2.1228 2.8944 2.8944 3.0155 3.0155 3.3019 3.3019 3.5227 3.5227 3.6223 3.6223 3.7413 3.7413 3.8375 3.8375 4.0211 4.0211 4.6156 4.6156 5.0381 5.0381 5.9223 5.9223 8.0384 8.0384 8.5671 8.5671 9.1263 9.1263 9.3967 9.3967 10.0235 10.0235 k =-0.1447 0.1194 0.0000 ( 16053 PWs) bands (ev): -14.0865 -14.0865 -13.9444 -13.9444 -6.5861 -6.5861 -5.7830 -5.7830 -3.0717 -3.0717 -2.7205 -2.7205 -1.8467 -1.8467 -1.4965 -1.4965 -1.3530 -1.3530 -1.2072 -1.2072 0.2347 0.2347 0.8980 0.8980 1.6129 1.6129 1.9704 1.9704 2.1259 2.1259 2.8971 2.8971 3.0096 3.0096 3.3060 3.3060 3.5135 3.5135 3.6166 3.6166 3.7412 3.7412 3.8359 3.8359 4.0141 4.0141 4.6074 4.6074 5.0387 5.0387 5.9276 5.9276 8.0934 8.0934 8.6282 8.6282 9.1903 9.1903 9.3591 9.3591 9.9772 9.9772 k =-0.1579 0.1302 0.0000 ( 16039 PWs) bands (ev): -14.0856 -14.0856 -13.9447 -13.9447 -6.5874 -6.5874 -5.7820 -5.7820 -3.0682 -3.0682 -2.7261 -2.7261 -1.8404 -1.8404 -1.4987 -1.4987 -1.3594 -1.3594 -1.2191 -1.2191 0.2375 0.2375 0.8991 0.8991 1.6150 1.6150 1.9766 1.9766 2.1292 2.1292 2.9000 2.9000 3.0048 3.0048 3.3108 3.3108 3.5059 3.5059 3.6103 3.6103 3.7409 3.7409 3.8335 3.8335 4.0061 4.0061 4.5987 4.5987 5.0393 5.0393 5.9336 5.9336 8.1564 8.1564 8.6940 8.6940 9.1885 9.1885 9.3859 9.3859 9.9291 9.9291 k =-0.1711 0.1411 0.0000 ( 16031 PWs) bands (ev): -14.0847 -14.0847 -13.9450 -13.9450 -6.5886 -6.5886 -5.7812 -5.7812 -3.0646 -3.0646 -2.7319 -2.7319 -1.8342 -1.8342 -1.5012 -1.5012 -1.3660 -1.3660 -1.2310 -1.2310 0.2398 0.2398 0.9000 0.9000 1.6169 1.6169 1.9829 1.9829 2.1326 2.1326 2.9030 2.9030 3.0015 3.0015 3.3162 3.3162 3.5000 3.5000 3.6033 3.6033 3.7406 3.7406 3.8303 3.8303 3.9976 3.9976 4.5897 4.5897 5.0397 5.0397 5.9403 5.9403 8.2263 8.2263 8.7639 8.7639 9.1397 9.1397 9.4572 9.4572 9.8800 9.8800 k =-0.1842 0.1519 0.0000 ( 16021 PWs) bands (ev): -14.0837 -14.0837 -13.9453 -13.9453 -6.5896 -6.5896 -5.7807 -5.7807 -3.0610 -3.0610 -2.7377 -2.7377 -1.8280 -1.8280 -1.5040 -1.5040 -1.3726 -1.3726 -1.2426 -1.2426 0.2417 0.2417 0.9008 0.9008 1.6186 1.6186 1.9890 1.9890 2.1357 2.1357 2.9060 2.9060 2.9999 2.9999 3.3220 3.3220 3.4958 3.4958 3.5958 3.5958 3.7400 3.7400 3.8265 3.8265 3.9891 3.9891 4.5804 4.5804 5.0401 5.0401 5.9476 5.9476 8.3020 8.3020 8.8375 8.8375 9.0803 9.0803 9.5354 9.5354 9.8311 9.8311 k =-0.1974 0.1628 0.0000 ( 16015 PWs) bands (ev): -14.0828 -14.0828 -13.9456 -13.9456 -6.5903 -6.5903 -5.7805 -5.7805 -3.0575 -3.0575 -2.7435 -2.7435 -1.8221 -1.8221 -1.5069 -1.5069 -1.3792 -1.3792 -1.2538 -1.2538 0.2431 0.2431 0.9016 0.9016 1.6200 1.6200 1.9949 1.9949 2.1385 2.1385 2.9090 2.9090 3.0002 3.0002 3.3280 3.3280 3.4931 3.4931 3.5880 3.5880 3.7392 3.7392 3.8222 3.8222 3.9811 3.9811 4.5709 4.5709 5.0405 5.0405 5.9555 5.9555 8.3821 8.3821 8.9127 8.9127 9.0211 9.0211 9.6097 9.6097 9.7831 9.7831 k =-0.2105 0.1736 0.0000 ( 16015 PWs) bands (ev): -14.0818 -14.0818 -13.9459 -13.9459 -6.5908 -6.5908 -5.7806 -5.7806 -3.0542 -3.0542 -2.7493 -2.7493 -1.8166 -1.8166 -1.5099 -1.5099 -1.3857 -1.3857 -1.2644 -1.2644 0.2438 0.2438 0.9025 0.9025 1.6211 1.6211 2.0005 2.0005 2.1407 2.1407 2.9120 2.9120 3.0023 3.0023 3.3339 3.3339 3.4921 3.4921 3.5804 3.5804 3.7381 3.7381 3.8175 3.8175 3.9739 3.9739 4.5614 4.5614 5.0409 5.0409 5.9639 5.9639 8.4648 8.4648 8.9470 8.9470 9.0075 9.0075 9.6754 9.6754 9.7370 9.7370 k =-0.2237 0.1845 0.0000 ( 16015 PWs) bands (ev): -14.0807 -14.0807 -13.9462 -13.9462 -6.5909 -6.5909 -5.7810 -5.7810 -3.0511 -3.0511 -2.7550 -2.7550 -1.8116 -1.8116 -1.5131 -1.5131 -1.3922 -1.3922 -1.2743 -1.2743 0.2440 0.2440 0.9035 0.9035 1.6218 1.6218 2.0056 2.0056 2.1421 2.1421 2.9151 2.9151 3.0062 3.0062 3.3392 3.3392 3.4927 3.4927 3.5738 3.5738 3.7366 3.7366 3.8129 3.8129 3.9676 3.9676 4.5520 4.5520 5.0412 5.0412 5.9727 5.9727 8.5473 8.5473 8.8968 8.8968 9.0847 9.0847 9.6918 9.6918 9.7315 9.7315 k =-0.2368 0.1953 0.0000 ( 16019 PWs) bands (ev): -14.0797 -14.0797 -13.9466 -13.9466 -6.5908 -6.5908 -5.7819 -5.7819 -3.0483 -3.0483 -2.7605 -2.7605 -1.8072 -1.8072 -1.5161 -1.5161 -1.3985 -1.3985 -1.2833 -1.2833 0.2435 0.2435 0.9047 0.9047 1.6221 1.6221 2.0103 2.0103 2.1427 2.1427 2.9183 2.9183 3.0114 3.0114 3.3434 3.3434 3.4947 3.4947 3.5688 3.5688 3.7346 3.7346 3.8084 3.8084 3.9623 3.9623 4.5427 4.5427 5.0417 5.0417 5.9819 5.9819 8.6233 8.6233 8.8499 8.8499 9.1699 9.1699 9.6514 9.6514 9.7723 9.7723 k =-0.2500 0.2062 0.0000 ( 16031 PWs) bands (ev): -14.0787 -14.0787 -13.9469 -13.9469 -6.5903 -6.5903 -5.7831 -5.7831 -3.0458 -3.0458 -2.7658 -2.7658 -1.8037 -1.8037 -1.5191 -1.5191 -1.4045 -1.4045 -1.2914 -1.2914 0.2424 0.2424 0.9062 0.9062 1.6221 1.6221 2.0144 2.0144 2.1423 2.1423 2.9217 2.9217 3.0177 3.0177 3.3461 3.3461 3.4976 3.4976 3.5668 3.5668 3.7321 3.7321 3.8045 3.8045 3.9580 3.9580 4.5337 4.5337 5.0421 5.0421 5.9912 5.9912 8.6730 8.6730 8.8294 8.8294 9.2574 9.2574 9.6141 9.6141 9.7991 9.7991 k =-0.2632 0.2170 0.0000 ( 16035 PWs) bands (ev): -14.0777 -14.0777 -13.9472 -13.9472 -6.5895 -6.5895 -5.7848 -5.7848 -3.0436 -3.0436 -2.7708 -2.7708 -1.8011 -1.8011 -1.5219 -1.5219 -1.4102 -1.4102 -1.2985 -1.2985 0.2407 0.2407 0.9079 0.9079 1.6218 1.6218 2.0180 2.0180 2.1409 2.1409 2.9254 2.9254 3.0246 3.0246 3.3472 3.3472 3.5007 3.5007 3.5687 3.5687 3.7291 3.7291 3.8015 3.8015 3.9545 3.9545 4.5251 4.5251 5.0425 5.0425 6.0007 6.0007 8.6667 8.6667 8.8636 8.8636 9.3460 9.3460 9.5809 9.5809 9.8117 9.8117 k =-0.2763 0.2279 0.0000 ( 16055 PWs) bands (ev): -14.0767 -14.0767 -13.9474 -13.9474 -6.5885 -6.5885 -5.7868 -5.7868 -3.0418 -3.0418 -2.7755 -2.7755 -1.7996 -1.7996 -1.5245 -1.5245 -1.4155 -1.4155 -1.3046 -1.3046 0.2384 0.2384 0.9098 0.9098 1.6211 1.6211 2.0209 2.0209 2.1387 2.1387 2.9296 2.9296 3.0318 3.0318 3.3467 3.3467 3.5036 3.5036 3.5750 3.5750 3.7256 3.7256 3.7994 3.7994 3.9518 3.9518 4.5168 4.5168 5.0430 5.0430 6.0102 6.0102 8.6286 8.6286 8.9259 8.9259 9.4332 9.4332 9.5538 9.5538 9.8127 9.8127 k =-0.2895 0.2387 0.0000 ( 16065 PWs) bands (ev): -14.0757 -14.0757 -13.9477 -13.9477 -6.5871 -6.5871 -5.7891 -5.7891 -3.0404 -3.0404 -2.7798 -2.7798 -1.7991 -1.7991 -1.5268 -1.5268 -1.4204 -1.4204 -1.3094 -1.3094 0.2354 0.2354 0.9120 0.9120 1.6202 1.6202 2.0230 2.0230 2.1359 2.1359 2.9341 2.9341 3.0389 3.0389 3.3449 3.3449 3.5060 3.5060 3.5853 3.5853 3.7217 3.7217 3.7986 3.7986 3.9498 3.9498 4.5089 4.5089 5.0435 5.0435 6.0196 6.0196 8.5833 8.5833 8.9889 8.9889 9.4974 9.4974 9.5534 9.5534 9.8064 9.8064 k =-0.3026 0.2496 0.0000 ( 16063 PWs) bands (ev): -14.0748 -14.0748 -13.9479 -13.9479 -6.5854 -6.5854 -5.7918 -5.7918 -3.0394 -3.0394 -2.7837 -2.7837 -1.7997 -1.7997 -1.5287 -1.5287 -1.4250 -1.4250 -1.3131 -1.3131 0.2319 0.2319 0.9143 0.9143 1.6190 1.6190 2.0243 2.0243 2.1326 2.1326 2.9390 2.9390 3.0458 3.0458 3.3422 3.3422 3.5085 3.5085 3.5982 3.5982 3.7177 3.7177 3.7992 3.7992 3.9483 3.9483 4.5016 4.5016 5.0440 5.0440 6.0289 6.0289 8.5375 8.5375 9.0429 9.0429 9.4921 9.4921 9.6239 9.6239 9.7994 9.7994 k =-0.3158 0.2605 0.0000 ( 16049 PWs) bands (ev): -14.0739 -14.0739 -13.9482 -13.9482 -6.5835 -6.5835 -5.7948 -5.7948 -3.0389 -3.0389 -2.7873 -2.7873 -1.8014 -1.8014 -1.5302 -1.5302 -1.4292 -1.4292 -1.3155 -1.3155 0.2280 0.2280 0.9166 0.9166 1.6176 1.6176 2.0247 2.0247 2.1292 2.1292 2.9442 2.9442 3.0524 3.0524 3.3391 3.3391 3.5116 3.5116 3.6119 3.6119 3.7143 3.7143 3.8012 3.8012 3.9473 3.9473 4.4947 4.4947 5.0445 5.0445 6.0379 6.0379 8.4929 8.4929 9.0827 9.0827 9.4761 9.4761 9.6988 9.6988 9.8038 9.8038 k =-0.3289 0.2713 0.0000 ( 16057 PWs) bands (ev): -14.0731 -14.0731 -13.9484 -13.9484 -6.5813 -6.5813 -5.7980 -5.7980 -3.0387 -3.0387 -2.7904 -2.7904 -1.8041 -1.8041 -1.5314 -1.5314 -1.4331 -1.4331 -1.3167 -1.3167 0.2235 0.2235 0.9188 0.9188 1.6160 1.6160 2.0240 2.0240 2.1260 2.1260 2.9496 2.9496 3.0585 3.0585 3.3359 3.3359 3.5156 3.5156 3.6243 3.6243 3.7122 3.7122 3.8049 3.8049 3.9468 3.9468 4.4883 4.4883 5.0450 5.0450 6.0466 6.0466 8.4503 8.4503 9.1056 9.1056 9.4621 9.4621 9.7418 9.7418 9.8454 9.8454 k =-0.3421 0.2822 0.0000 ( 16063 PWs) bands (ev): -14.0723 -14.0723 -13.9486 -13.9486 -6.5790 -6.5790 -5.8013 -5.8013 -3.0388 -3.0388 -2.7931 -2.7931 -1.8077 -1.8077 -1.5322 -1.5322 -1.4367 -1.4367 -1.3166 -1.3166 0.2188 0.2188 0.9209 0.9209 1.6143 1.6143 2.0222 2.0222 2.1233 2.1233 2.9551 2.9551 3.0642 3.0642 3.3329 3.3329 3.5207 3.5207 3.6337 3.6337 3.7119 3.7119 3.8104 3.8104 3.9468 3.9468 4.4825 4.4825 5.0454 5.0454 6.0549 6.0549 8.4102 8.4102 9.1116 9.1116 9.4512 9.4512 9.7558 9.7558 9.9202 9.9202 k =-0.3553 0.2930 0.0000 ( 16069 PWs) bands (ev): -14.0715 -14.0715 -13.9488 -13.9488 -6.5765 -6.5765 -5.8048 -5.8048 -3.0393 -3.0393 -2.7954 -2.7954 -1.8119 -1.8119 -1.5325 -1.5325 -1.4403 -1.4403 -1.3153 -1.3153 0.2137 0.2137 0.9227 0.9227 1.6126 1.6126 2.0195 2.0195 2.1212 2.1212 2.9605 2.9605 3.0696 3.0696 3.3303 3.3303 3.5270 3.5270 3.6390 3.6390 3.7138 3.7138 3.8178 3.8178 3.9473 3.9473 4.4772 4.4772 5.0458 5.0458 6.0627 6.0627 8.3727 8.3727 9.1032 9.1032 9.4434 9.4434 9.7633 9.7633 10.0024 10.0024 k =-0.3684 0.3039 0.0000 ( 16085 PWs) bands (ev): -14.0708 -14.0708 -13.9489 -13.9489 -6.5740 -6.5740 -5.8083 -5.8083 -3.0401 -3.0401 -2.7974 -2.7974 -1.8167 -1.8167 -1.5325 -1.5325 -1.4437 -1.4437 -1.3131 -1.3131 0.2085 0.2085 0.9243 0.9243 1.6108 1.6108 2.0160 2.0160 2.1198 2.1198 2.9656 2.9656 3.0748 3.0748 3.3280 3.3280 3.5344 3.5344 3.6403 3.6403 3.7170 3.7170 3.8268 3.8268 3.9484 3.9484 4.4724 4.4724 5.0462 5.0462 6.0700 6.0700 8.3381 8.3381 9.0845 9.0845 9.4383 9.4383 9.7670 9.7670 10.0843 10.0843 k =-0.3816 0.3147 0.0000 ( 16077 PWs) bands (ev): -14.0702 -14.0702 -13.9491 -13.9491 -6.5715 -6.5715 -5.8118 -5.8118 -3.0410 -3.0410 -2.7990 -2.7990 -1.8217 -1.8217 -1.5322 -1.5322 -1.4470 -1.4470 -1.3101 -1.3101 0.2032 0.2032 0.9256 0.9256 1.6090 1.6090 2.0119 2.0119 2.1190 2.1190 2.9704 2.9704 3.0796 3.0796 3.3261 3.3261 3.5431 3.5431 3.6389 3.6389 3.7201 3.7201 3.8368 3.8368 3.9502 3.9502 4.4681 4.4681 5.0465 5.0465 6.0768 6.0768 8.3064 8.3064 9.0599 9.0599 9.4357 9.4357 9.7654 9.7654 10.1636 10.1636 k =-0.3947 0.3256 0.0000 ( 16088 PWs) bands (ev): -14.0696 -14.0696 -13.9492 -13.9492 -6.5690 -6.5690 -5.8152 -5.8152 -3.0421 -3.0421 -2.8003 -2.8003 -1.8269 -1.8269 -1.5316 -1.5316 -1.4502 -1.4502 -1.3064 -1.3064 0.1980 0.1980 0.9265 0.9265 1.6073 1.6073 2.0074 2.0074 2.1188 2.1188 2.9747 2.9747 3.0843 3.0843 3.3246 3.3246 3.5527 3.5527 3.6359 3.6359 3.7223 3.7223 3.8470 3.8470 3.9529 3.9529 4.4643 4.4643 5.0467 5.0467 6.0829 6.0829 8.2778 8.2778 9.0329 9.0329 9.4352 9.4352 9.7570 9.7570 10.2390 10.2390 k =-0.4079 0.3364 0.0000 ( 16080 PWs) bands (ev): -14.0691 -14.0691 -13.9493 -13.9493 -6.5666 -6.5666 -5.8184 -5.8184 -3.0433 -3.0433 -2.8013 -2.8013 -1.8320 -1.8320 -1.5308 -1.5308 -1.4533 -1.4533 -1.3025 -1.3025 0.1930 0.1930 0.9271 0.9271 1.6057 1.6057 2.0030 2.0030 2.1190 2.1190 2.9785 2.9785 3.0887 3.0887 3.3234 3.3234 3.5630 3.5630 3.6325 3.6325 3.7231 3.7231 3.8565 3.8565 3.9566 3.9566 4.4610 4.4610 5.0469 5.0469 6.0884 6.0884 8.2523 8.2523 9.0060 9.0060 9.4362 9.4362 9.7424 9.7424 10.3095 10.3095 k =-0.4211 0.3473 0.0000 ( 16074 PWs) bands (ev): -14.0686 -14.0686 -13.9494 -13.9494 -6.5644 -6.5644 -5.8214 -5.8214 -3.0444 -3.0444 -2.8022 -2.8022 -1.8368 -1.8368 -1.5298 -1.5298 -1.4562 -1.4562 -1.2984 -1.2984 0.1884 0.1884 0.9274 0.9274 1.6043 1.6043 1.9987 1.9987 2.1194 2.1194 2.9818 2.9818 3.0929 3.0929 3.3225 3.3225 3.5737 3.5737 3.6292 3.6292 3.7225 3.7225 3.8644 3.8644 3.9611 3.9611 4.4581 4.4581 5.0470 5.0470 6.0932 6.0932 8.2300 8.2300 8.9812 8.9812 9.4382 9.4382 9.7230 9.7230 10.3738 10.3738 k =-0.4342 0.3581 0.0000 ( 16106 PWs) bands (ev): -14.0683 -14.0683 -13.9494 -13.9494 -6.5624 -6.5624 -5.8240 -5.8240 -3.0456 -3.0456 -2.8028 -2.8028 -1.8411 -1.8411 -1.5288 -1.5288 -1.4588 -1.4588 -1.2945 -1.2945 0.1841 0.1841 0.9276 0.9276 1.6030 1.6030 1.9949 1.9949 2.1200 2.1200 2.9844 2.9844 3.0966 3.0966 3.3217 3.3217 3.5840 3.5840 3.6269 3.6269 3.7205 3.7205 3.8706 3.8706 3.9661 3.9661 4.4556 4.4556 5.0471 5.0471 6.0973 6.0973 8.2110 8.2110 8.9595 8.9595 9.4408 9.4408 9.7013 9.7013 10.4308 10.4308 k =-0.4474 0.3690 0.0000 ( 16110 PWs) bands (ev): -14.0679 -14.0679 -13.9495 -13.9495 -6.5607 -6.5607 -5.8263 -5.8263 -3.0466 -3.0466 -2.8032 -2.8032 -1.8449 -1.8449 -1.5278 -1.5278 -1.4611 -1.4611 -1.2910 -1.2910 0.1805 0.1805 0.9275 0.9275 1.6019 1.6019 1.9916 1.9916 2.1206 2.1206 2.9865 2.9865 3.0998 3.0998 3.3212 3.3212 3.5928 3.5928 3.6263 3.6263 3.7175 3.7175 3.8751 3.8751 3.9712 3.9712 4.4536 4.4536 5.0471 5.0471 6.1007 6.1007 8.1954 8.1954 8.9415 8.9415 9.4435 9.4435 9.6796 9.6796 10.4794 10.4794 k =-0.4605 0.3798 0.0000 ( 16112 PWs) bands (ev): -14.0677 -14.0677 -13.9495 -13.9495 -6.5594 -6.5594 -5.8281 -5.8281 -3.0474 -3.0474 -2.8035 -2.8035 -1.8479 -1.8479 -1.5269 -1.5269 -1.4630 -1.4630 -1.2880 -1.2880 0.1775 0.1775 0.9274 0.9274 1.6010 1.6010 1.9889 1.9889 2.1211 2.1211 2.9881 2.9881 3.1024 3.1024 3.3208 3.3208 3.5988 3.5988 3.6283 3.6283 3.7137 3.7137 3.8781 3.8781 3.9758 3.9758 4.4521 4.4521 5.0471 5.0471 6.1033 6.1033 8.1832 8.1832 8.9276 8.9276 9.4459 9.4459 9.6603 9.6603 10.5186 10.5186 k =-0.4737 0.3907 0.0000 ( 16108 PWs) bands (ev): -14.0675 -14.0675 -13.9496 -13.9496 -6.5583 -6.5583 -5.8294 -5.8294 -3.0480 -3.0480 -2.8038 -2.8038 -1.8501 -1.8501 -1.5262 -1.5262 -1.4644 -1.4644 -1.2858 -1.2858 0.1753 0.1753 0.9273 0.9273 1.6003 1.6003 1.9869 1.9869 2.1216 2.1216 2.9893 2.9893 3.1044 3.1044 3.3205 3.3205 3.6017 3.6017 3.6325 3.6325 3.7097 3.7097 3.8800 3.8800 3.9795 3.9795 4.4510 4.4510 5.0471 5.0471 6.1052 6.1052 8.1744 8.1744 8.9177 8.9177 9.4477 9.4477 9.6452 9.6452 10.5473 10.5473 k =-0.4868 0.4015 0.0000 ( 16090 PWs) bands (ev): -14.0674 -14.0674 -13.9496 -13.9496 -6.5577 -6.5577 -5.8302 -5.8302 -3.0484 -3.0484 -2.8039 -2.8039 -1.8515 -1.8515 -1.5257 -1.5257 -1.4653 -1.4653 -1.2844 -1.2844 0.1740 0.1740 0.9272 0.9272 1.6000 1.6000 1.9857 1.9857 2.1219 2.1219 2.9899 2.9899 3.1056 3.1056 3.3204 3.3204 3.6026 3.6026 3.6367 3.6367 3.7066 3.7066 3.8810 3.8810 3.9819 3.9819 4.4503 4.4503 5.0471 5.0471 6.1063 6.1063 8.1691 8.1691 8.9119 8.9119 9.4488 9.4488 9.6356 9.6356 10.5649 10.5649 k =-0.5000 0.4124 0.0000 ( 16080 PWs) bands (ev): -14.0674 -14.0674 -13.9496 -13.9496 -6.5575 -6.5575 -5.8305 -5.8305 -3.0485 -3.0485 -2.8039 -2.8039 -1.8520 -1.8520 -1.5255 -1.5255 -1.4656 -1.4656 -1.2840 -1.2840 0.1736 0.1736 0.9272 0.9272 1.5998 1.5998 1.9853 1.9853 2.1220 2.1220 2.9901 2.9901 3.1060 3.1060 3.3203 3.3203 3.6028 3.6028 3.6384 3.6384 3.7054 3.7054 3.8813 3.8813 3.9827 3.9827 4.4501 4.4501 5.0471 5.0471 6.1067 6.1067 8.1674 8.1674 8.9100 8.9100 9.4492 9.4492 9.6324 9.6324 10.5708 10.5708 k =-0.5000 0.4124 0.0000 ( 16080 PWs) bands (ev): -14.0674 -14.0674 -13.9496 -13.9496 -6.5575 -6.5575 -5.8305 -5.8305 -3.0485 -3.0485 -2.8039 -2.8039 -1.8520 -1.8520 -1.5255 -1.5255 -1.4656 -1.4656 -1.2840 -1.2840 0.1736 0.1736 0.9272 0.9272 1.5998 1.5998 1.9853 1.9853 2.1220 2.1220 2.9901 2.9901 3.1060 3.1060 3.3203 3.3203 3.6028 3.6028 3.6384 3.6384 3.7054 3.7054 3.8813 3.8813 3.9827 3.9827 4.4501 4.4501 5.0471 5.0471 6.1067 6.1067 8.1674 8.1674 8.9100 8.9100 9.4492 9.4492 9.6324 9.6324 10.5708 10.5708 k =-0.4900 0.4245-0.0000 ( 16080 PWs) bands (ev): -14.0674 -14.0674 -13.9496 -13.9496 -6.5577 -6.5577 -5.8306 -5.8306 -3.0484 -3.0484 -2.8036 -2.8036 -1.8520 -1.8520 -1.5253 -1.5253 -1.4645 -1.4645 -1.2838 -1.2838 0.1735 0.1735 0.9271 0.9271 1.5992 1.5992 1.9851 1.9851 2.1220 2.1220 2.9899 2.9899 3.1060 3.1060 3.3202 3.3202 3.6028 3.6028 3.6378 3.6378 3.7060 3.7060 3.8811 3.8811 3.9827 3.9827 4.4482 4.4482 5.0468 5.0468 6.1054 6.1054 8.1710 8.1710 8.9088 8.9088 9.4494 9.4494 9.6288 9.6288 10.5727 10.5727 k =-0.4800 0.4366-0.0000 ( 16090 PWs) bands (ev): -14.0675 -14.0675 -13.9496 -13.9496 -6.5582 -6.5582 -5.8311 -5.8311 -3.0482 -3.0482 -2.8025 -2.8025 -1.8519 -1.8519 -1.5246 -1.5246 -1.4616 -1.4616 -1.2832 -1.2832 0.1735 0.1735 0.9268 0.9268 1.5974 1.5974 1.9845 1.9845 2.1221 2.1221 2.9893 2.9893 3.1059 3.1059 3.3198 3.3198 3.6027 3.6027 3.6363 3.6363 3.7076 3.7076 3.8804 3.8804 3.9829 3.9829 4.4428 4.4428 5.0459 5.0459 6.1016 6.1016 8.1817 8.1817 8.9054 8.9054 9.4499 9.4499 9.6182 9.6182 10.5782 10.5782 k =-0.4700 0.4487-0.0000 ( 16096 PWs) bands (ev): -14.0675 -14.0675 -13.9495 -13.9495 -6.5590 -6.5590 -5.8317 -5.8317 -3.0477 -3.0477 -2.8008 -2.8008 -1.8518 -1.8518 -1.5234 -1.5234 -1.4567 -1.4567 -1.2823 -1.2823 0.1735 0.1735 0.9263 0.9263 1.5944 1.5944 1.9835 1.9835 2.1222 2.1222 2.9883 2.9883 3.1058 3.1058 3.3190 3.3190 3.6026 3.6026 3.6338 3.6338 3.7101 3.7101 3.8793 3.8793 3.9832 3.9832 4.4338 4.4338 5.0443 5.0443 6.0953 6.0953 8.1995 8.1995 8.8998 8.8998 9.4506 9.4506 9.6012 9.6012 10.5866 10.5866 k =-0.4600 0.4608-0.0000 ( 16068 PWs) bands (ev): -14.0677 -14.0677 -13.9494 -13.9494 -6.5602 -6.5602 -5.8327 -5.8327 -3.0471 -3.0471 -2.7984 -2.7984 -1.8517 -1.8517 -1.5215 -1.5215 -1.4502 -1.4502 -1.2811 -1.2811 0.1735 0.1735 0.9257 0.9257 1.5902 1.5902 1.9821 1.9821 2.1224 2.1224 2.9868 2.9868 3.1057 3.1057 3.3181 3.3181 3.6024 3.6024 3.6306 3.6306 3.7133 3.7133 3.8778 3.8778 3.9837 3.9837 4.4213 4.4213 5.0422 5.0422 6.0867 6.0867 8.2242 8.2242 8.8921 8.8921 9.4513 9.4513 9.5791 9.5791 10.5968 10.5968 k =-0.4500 0.4730-0.0000 ( 16048 PWs) bands (ev): -14.0678 -14.0678 -13.9494 -13.9494 -6.5617 -6.5617 -5.8339 -5.8339 -3.0463 -3.0463 -2.7954 -2.7954 -1.8515 -1.8515 -1.5188 -1.5188 -1.4422 -1.4422 -1.2794 -1.2794 0.1734 0.1734 0.9249 0.9249 1.5849 1.5849 1.9803 1.9803 2.1227 2.1227 2.9850 2.9850 3.1055 3.1055 3.3169 3.3169 3.6022 3.6022 3.6270 3.6270 3.7171 3.7171 3.8760 3.8760 3.9843 3.9843 4.4056 4.4056 5.0396 5.0396 6.0759 6.0759 8.2556 8.2556 8.8825 8.8825 9.4510 9.4510 9.5533 9.5533 10.6077 10.6077 k =-0.4400 0.4851-0.0000 ( 16056 PWs) bands (ev): -14.0681 -14.0681 -13.9493 -13.9493 -6.5634 -6.5634 -5.8353 -5.8353 -3.0453 -3.0453 -2.7918 -2.7918 -1.8513 -1.8513 -1.5154 -1.5154 -1.4329 -1.4329 -1.2775 -1.2775 0.1734 0.1734 0.9239 0.9239 1.5784 1.5784 1.9782 1.9782 2.1230 2.1230 2.9829 2.9829 3.1053 3.1053 3.3154 3.3154 3.6019 3.6019 3.6229 3.6229 3.7212 3.7212 3.8738 3.8738 3.9851 3.9851 4.3869 4.3869 5.0365 5.0365 6.0633 6.0633 8.2932 8.2932 8.8712 8.8712 9.4478 9.4478 9.5270 9.5270 10.6177 10.6177 k =-0.4301 0.4972-0.0000 ( 16058 PWs) bands (ev): -14.0683 -14.0683 -13.9491 -13.9491 -6.5654 -6.5654 -5.8369 -5.8369 -3.0443 -3.0443 -2.7877 -2.7877 -1.8511 -1.8511 -1.5110 -1.5110 -1.4225 -1.4225 -1.2752 -1.2752 0.1734 0.1734 0.9227 0.9227 1.5710 1.5710 1.9759 1.9759 2.1233 2.1233 2.9804 2.9804 3.1051 3.1051 3.3138 3.3138 3.6016 3.6016 3.6187 3.6187 3.7256 3.7256 3.8713 3.8713 3.9861 3.9861 4.3654 4.3654 5.0331 5.0331 6.0489 6.0489 8.3368 8.3368 8.8588 8.8588 9.4367 9.4367 9.5060 9.5060 10.6254 10.6254 k =-0.4201 0.5093-0.0000 ( 16068 PWs) bands (ev): -14.0686 -14.0686 -13.9490 -13.9490 -6.5676 -6.5676 -5.8386 -5.8386 -3.0431 -3.0431 -2.7831 -2.7831 -1.8508 -1.8508 -1.5058 -1.5058 -1.4111 -1.4111 -1.2725 -1.2725 0.1734 0.1734 0.9214 0.9214 1.5625 1.5625 1.9733 1.9733 2.1238 2.1238 2.9777 2.9777 3.1048 3.1048 3.3119 3.3119 3.6013 3.6013 3.6144 3.6144 3.7302 3.7302 3.8686 3.8686 3.9873 3.9873 4.3414 4.3414 5.0294 5.0294 6.0331 6.0331 8.3854 8.3854 8.8457 8.8457 9.4125 9.4125 9.4961 9.4961 10.6291 10.6291 k =-0.4201 0.5093-0.0000 ( 16068 PWs) bands (ev): -14.0686 -14.0686 -13.9490 -13.9490 -6.5676 -6.5676 -5.8386 -5.8386 -3.0431 -3.0431 -2.7831 -2.7831 -1.8508 -1.8508 -1.5058 -1.5058 -1.4111 -1.4111 -1.2725 -1.2725 0.1734 0.1734 0.9214 0.9214 1.5625 1.5625 1.9733 1.9733 2.1238 2.1238 2.9777 2.9777 3.1048 3.1048 3.3119 3.3119 3.6013 3.6013 3.6144 3.6144 3.7302 3.7302 3.8686 3.8686 3.9873 3.9873 4.3414 4.3414 5.0294 5.0294 6.0331 6.0331 8.3854 8.3854 8.8457 8.8457 9.4125 9.4125 9.4961 9.4961 10.6291 10.6291 k =-0.4201 0.5093 0.0171 ( 16061 PWs) bands (ev): -14.0684 -14.0684 -13.9491 -13.9491 -6.5670 -6.5670 -5.8396 -5.8396 -3.0428 -3.0428 -2.7836 -2.7836 -1.8503 -1.8503 -1.5058 -1.5058 -1.4121 -1.4121 -1.2719 -1.2719 0.1750 0.1750 0.9230 0.9230 1.5627 1.5627 1.9727 1.9727 2.1235 2.1235 2.9755 2.9755 3.1039 3.1039 3.3057 3.3057 3.5880 3.5880 3.6248 3.6248 3.7355 3.7355 3.8710 3.8710 3.9879 3.9879 4.3446 4.3446 5.0283 5.0283 6.0309 6.0309 8.3887 8.3887 8.8485 8.8485 9.4120 9.4120 9.4900 9.4900 10.6259 10.6259 k =-0.4201 0.5093 0.0342 ( 16063 PWs) bands (ev): -14.0681 -14.0681 -13.9495 -13.9495 -6.5650 -6.5650 -5.8426 -5.8426 -3.0417 -3.0417 -2.7848 -2.7848 -1.8490 -1.8490 -1.5058 -1.5058 -1.4148 -1.4148 -1.2702 -1.2702 0.1800 0.1800 0.9276 0.9276 1.5633 1.5633 1.9711 1.9711 2.1226 2.1226 2.9687 2.9687 3.1013 3.1013 3.2878 3.2878 3.5680 3.5680 3.6384 3.6384 3.7483 3.7483 3.8779 3.8779 3.9903 3.9903 4.3541 4.3541 5.0253 5.0253 6.0243 6.0243 8.3988 8.3988 8.8567 8.8567 9.4060 9.4060 9.4769 9.4769 10.6157 10.6157 k =-0.4201 0.5093 0.0513 ( 16065 PWs) bands (ev): -14.0674 -14.0674 -13.9501 -13.9501 -6.5617 -6.5617 -5.8475 -5.8475 -3.0401 -3.0401 -2.7868 -2.7868 -1.8467 -1.8467 -1.5058 -1.5058 -1.4190 -1.4190 -1.2676 -1.2676 0.1882 0.1882 0.9353 0.9353 1.5642 1.5642 1.9684 1.9684 2.1211 2.1211 2.9573 2.9573 3.0970 3.0970 3.2603 3.2603 3.5477 3.5477 3.6523 3.6523 3.7625 3.7625 3.8882 3.8882 3.9964 3.9964 4.3694 4.3694 5.0204 5.0204 6.0133 6.0133 8.4154 8.4154 8.8695 8.8695 9.3826 9.3826 9.4710 9.4710 10.5980 10.5980 k =-0.4201 0.5093 0.0684 ( 16060 PWs) bands (ev): -14.0665 -14.0665 -13.9510 -13.9510 -6.5572 -6.5572 -5.8543 -5.8543 -3.0378 -3.0378 -2.7896 -2.7896 -1.8436 -1.8436 -1.5058 -1.5058 -1.4245 -1.4245 -1.2641 -1.2641 0.1996 0.1996 0.9458 0.9458 1.5654 1.5654 1.9646 1.9646 2.1192 2.1192 2.9412 2.9412 3.0911 3.0911 3.2261 3.2261 3.5292 3.5292 3.6660 3.6660 3.7748 3.7748 3.8988 3.8988 4.0093 4.0093 4.3899 4.3899 5.0139 5.0139 5.9982 5.9982 8.4384 8.4384 8.8854 8.8854 9.3400 9.3400 9.4776 9.4776 10.5717 10.5717 k =-0.4201 0.5093 0.0856 ( 16066 PWs) bands (ev): -14.0654 -14.0654 -13.9522 -13.9522 -6.5513 -6.5513 -5.8630 -5.8630 -3.0349 -3.0349 -2.7932 -2.7932 -1.8398 -1.8398 -1.5059 -1.5059 -1.4308 -1.4308 -1.2600 -1.2600 0.2141 0.2141 0.9591 0.9591 1.5667 1.5667 1.9598 1.9598 2.1166 2.1166 2.9200 2.9200 3.0837 3.0837 3.1878 3.1878 3.5136 3.5136 3.6788 3.6788 3.7845 3.7845 3.9060 3.9060 4.0311 4.0311 4.4149 4.4149 5.0062 5.0062 5.9793 5.9793 8.4672 8.4672 8.9015 8.9015 9.2891 9.2891 9.4907 9.4907 10.5359 10.5359 k =-0.4201 0.5093 0.1027 ( 16057 PWs) bands (ev): -14.0640 -14.0640 -13.9535 -13.9535 -6.5442 -6.5442 -5.8735 -5.8735 -3.0316 -3.0316 -2.7975 -2.7975 -1.8351 -1.8351 -1.5065 -1.5065 -1.4372 -1.4372 -1.2556 -1.2556 0.2314 0.2314 0.9748 0.9748 1.5680 1.5680 1.9539 1.9539 2.1136 2.1136 2.8936 2.8936 3.0750 3.0750 3.1477 3.1477 3.5013 3.5013 3.6901 3.6901 3.7925 3.7925 3.9088 3.9088 4.0609 4.0609 4.4437 4.4437 4.9976 4.9976 5.9566 5.9566 8.5016 8.5016 8.9117 8.9117 9.2417 9.2417 9.5057 9.5057 10.4903 10.4903 k =-0.4201 0.5093 0.1198 ( 16053 PWs) bands (ev): -14.0624 -14.0624 -13.9551 -13.9551 -6.5359 -6.5359 -5.8856 -5.8856 -3.0278 -3.0278 -2.8024 -2.8024 -1.8299 -1.8299 -1.5079 -1.5079 -1.4429 -1.4429 -1.2510 -1.2510 0.2516 0.2516 0.9927 0.9927 1.5691 1.5691 1.9471 1.9471 2.1100 2.1100 2.8618 2.8618 3.0649 3.0649 3.1080 3.1080 3.4924 3.4924 3.6993 3.6993 3.7995 3.7995 3.9083 3.9083 4.0961 4.0961 4.4758 4.4758 4.9886 4.9886 5.9307 5.9307 8.5406 8.5406 8.9067 8.9067 9.2110 9.2110 9.5189 9.5189 10.4363 10.4363 k =-0.4201 0.5093 0.1369 ( 16056 PWs) bands (ev): -14.0605 -14.0605 -13.9570 -13.9570 -6.5263 -6.5263 -5.8994 -5.8994 -3.0236 -3.0236 -2.8080 -2.8080 -1.8241 -1.8241 -1.5110 -1.5110 -1.4469 -1.4469 -1.2465 -1.2465 0.2743 0.2743 1.0124 1.0124 1.5698 1.5698 1.9398 1.9398 2.1058 2.1058 2.8244 2.8244 3.0537 3.0537 3.0704 3.0704 3.4868 3.4868 3.7065 3.7065 3.8056 3.8056 3.9058 3.9058 4.1343 4.1343 4.5106 4.5106 4.9795 4.9795 5.9018 5.9018 8.5830 8.5830 8.8794 8.8794 9.2076 9.2076 9.5267 9.5267 10.3771 10.3771 k =-0.4201 0.5093 0.1540 ( 16063 PWs) bands (ev): -14.0585 -14.0585 -13.9590 -13.9590 -6.5155 -6.5155 -5.9146 -5.9146 -3.0192 -3.0192 -2.8141 -2.8141 -1.8178 -1.8178 -1.5162 -1.5162 -1.4483 -1.4483 -1.2421 -1.2421 0.2995 0.2995 1.0333 1.0333 1.5699 1.5699 1.9323 1.9323 2.1010 2.1010 2.7818 2.7818 3.0347 3.0347 3.0428 3.0428 3.4846 3.4846 3.7120 3.7120 3.8109 3.8109 3.9020 3.9020 4.1739 4.1739 4.5476 4.5476 4.9707 4.9707 5.8701 5.8701 8.6256 8.6256 8.8358 8.8358 9.2300 9.2300 9.5249 9.5249 10.3175 10.3175 k =-0.4201 0.5093 0.1711 ( 16065 PWs) bands (ev): -14.0562 -14.0562 -13.9613 -13.9613 -6.5036 -6.5036 -5.9312 -5.9312 -3.0146 -3.0146 -2.8207 -2.8207 -1.8111 -1.8111 -1.5238 -1.5238 -1.4466 -1.4466 -1.2381 -1.2381 0.3270 0.3270 1.0548 1.0548 1.5694 1.5694 1.9250 1.9250 2.0955 2.0955 2.7345 2.7345 3.0042 3.0042 3.0297 3.0297 3.4853 3.4853 3.7161 3.7161 3.8151 3.8151 3.8973 3.8973 4.2140 4.2140 4.5865 4.5865 4.9623 4.9623 5.8361 5.8361 8.6565 8.6565 8.7969 8.7969 9.2701 9.2701 9.5095 9.5095 10.2625 10.2625 k =-0.4201 0.5093 0.1882 ( 16069 PWs) bands (ev): -14.0537 -14.0537 -13.9638 -13.9638 -6.4905 -6.4905 -5.9490 -5.9490 -3.0098 -3.0098 -2.8277 -2.8277 -1.8042 -1.8042 -1.5334 -1.5334 -1.4420 -1.4420 -1.2346 -1.2346 0.3567 0.3567 1.0760 1.0760 1.5684 1.5684 1.9187 1.9187 2.0891 2.0891 2.6835 2.6835 2.9769 2.9769 3.0165 3.0165 3.4889 3.4889 3.7192 3.7192 3.8179 3.8179 3.8916 3.8916 4.2540 4.2540 4.6268 4.6268 4.9546 4.9546 5.8000 5.8000 8.6452 8.6452 8.8006 8.8006 9.3212 9.3212 9.4771 9.4771 10.2164 10.2164 k =-0.4201 0.5093 0.2053 ( 16076 PWs) bands (ev): -14.0510 -14.0510 -13.9665 -13.9665 -6.4764 -6.4764 -5.9679 -5.9679 -3.0049 -3.0049 -2.8351 -2.8351 -1.7970 -1.7970 -1.5444 -1.5444 -1.4350 -1.4350 -1.2318 -1.2318 0.3884 0.3884 1.0957 1.0957 1.5673 1.5673 1.9138 1.9138 2.0818 2.0818 2.6297 2.6297 2.9531 2.9531 3.0031 3.0031 3.4950 3.4950 3.7219 3.7219 3.8193 3.8193 3.8849 3.8849 4.2938 4.2938 4.6682 4.6682 4.9475 4.9475 5.7620 5.7620 8.5983 8.5983 8.8447 8.8447 9.3792 9.3792 9.4276 9.4276 10.1804 10.1804 k =-0.4201 0.5093 0.2225 ( 16083 PWs) bands (ev): -14.0482 -14.0482 -13.9693 -13.9693 -6.4612 -6.4612 -5.9879 -5.9879 -2.9999 -2.9999 -2.8427 -2.8427 -1.7896 -1.7896 -1.5563 -1.5563 -1.4260 -1.4260 -1.2297 -1.2297 0.4220 0.4220 1.1125 1.1125 1.5669 1.5669 1.9109 1.9109 2.0734 2.0734 2.5742 2.5742 2.9326 2.9326 2.9897 2.9897 3.5035 3.5035 3.7242 3.7242 3.8193 3.8193 3.8769 3.8769 4.3332 4.3332 4.7104 4.7104 4.9409 4.9409 5.7225 5.7225 8.5442 8.5442 8.9030 8.9030 9.3604 9.3604 9.4445 9.4445 10.1528 10.1528 k =-0.4201 0.5093 0.2396 ( 16088 PWs) bands (ev): -14.0451 -14.0451 -13.9723 -13.9723 -6.4450 -6.4450 -6.0087 -6.0087 -2.9948 -2.9948 -2.8506 -2.8506 -1.7820 -1.7820 -1.5687 -1.5687 -1.4154 -1.4154 -1.2285 -1.2285 0.4574 0.4574 1.1248 1.1248 1.5686 1.5686 1.9105 1.9105 2.0637 2.0637 2.5178 2.5178 2.9150 2.9150 2.9765 2.9765 3.5141 3.5141 3.7265 3.7265 3.8181 3.8181 3.8674 3.8674 4.3722 4.3722 4.7528 4.7528 4.9348 4.9348 5.6817 5.6817 8.4929 8.4929 8.9670 8.9670 9.2829 9.2829 9.5119 9.5119 10.1302 10.1302 k =-0.4201 0.5093 0.2567 ( 16082 PWs) bands (ev): -14.0420 -14.0420 -13.9755 -13.9755 -6.4278 -6.4278 -6.0303 -6.0303 -2.9897 -2.9897 -2.8585 -2.8585 -1.7744 -1.7744 -1.5814 -1.5814 -1.4034 -1.4034 -1.2282 -1.2282 0.4944 0.4944 1.1306 1.1306 1.5740 1.5740 1.9127 1.9127 2.0526 2.0526 2.4611 2.4611 2.9002 2.9002 2.9637 2.9637 3.5265 3.5265 3.7288 3.7288 3.8159 3.8159 3.8564 3.8564 4.4109 4.4109 4.7943 4.7943 4.9296 4.9296 5.6397 5.6397 8.4480 8.4480 9.0340 9.0340 9.1978 9.1978 9.5822 9.5822 10.1093 10.1093 k =-0.4201 0.5093 0.2738 ( 16092 PWs) bands (ev): -14.0386 -14.0386 -13.9788 -13.9788 -6.4098 -6.4098 -6.0526 -6.0526 -2.9845 -2.9845 -2.8665 -2.8665 -1.7666 -1.7666 -1.5941 -1.5941 -1.3903 -1.3903 -1.2291 -1.2291 0.5330 0.5330 1.1287 1.1287 1.5847 1.5847 1.9176 1.9176 2.0399 2.0399 2.4049 2.4049 2.8878 2.8878 2.9516 2.9516 3.5407 3.5407 3.7311 3.7311 3.8127 3.8127 3.8439 3.8439 4.4493 4.4493 4.8322 4.8322 4.9275 4.9275 5.5967 5.5967 8.4112 8.4112 9.0913 9.0913 9.1202 9.1202 9.6539 9.6539 10.0875 10.0875 k =-0.4201 0.5093 0.2909 ( 16112 PWs) bands (ev): -14.0352 -14.0352 -13.9823 -13.9823 -6.3908 -6.3908 -6.0753 -6.0753 -2.9794 -2.9794 -2.8745 -2.8745 -1.7587 -1.7587 -1.6067 -1.6067 -1.3766 -1.3766 -1.2311 -1.2311 0.5731 0.5731 1.1182 1.1182 1.6015 1.6015 1.9250 1.9250 2.0253 2.0253 2.3496 2.3496 2.8777 2.8777 2.9402 2.9402 3.5563 3.5563 3.7336 3.7336 3.8086 3.8086 3.8302 3.8302 4.4874 4.4874 4.8580 4.8580 4.9360 4.9360 5.5530 5.5530 8.3838 8.3838 9.0138 9.0138 9.1775 9.1775 9.7249 9.7249 10.0647 10.0647 k =-0.4201 0.5093 0.3080 ( 16091 PWs) bands (ev): -14.0316 -14.0316 -13.9858 -13.9858 -6.3711 -6.3711 -6.0985 -6.0985 -2.9742 -2.9742 -2.8823 -2.8823 -1.7506 -1.7506 -1.6190 -1.6190 -1.3623 -1.3623 -1.2343 -1.2343 0.6144 0.6144 1.0995 1.0995 1.6245 1.6245 1.9348 1.9348 2.0088 2.0088 2.2961 2.2961 2.8697 2.8697 2.9298 2.9298 3.5732 3.5732 3.7360 3.7360 3.8025 3.8025 3.8169 3.8169 4.5253 4.5253 4.8630 4.8630 4.9637 4.9637 5.5085 5.5085 8.3666 8.3666 8.9241 8.9241 9.2488 9.2488 9.7904 9.7904 10.0441 10.0441 k =-0.4201 0.5093 0.3251 ( 16100 PWs) bands (ev): -14.0279 -14.0279 -13.9895 -13.9895 -6.3507 -6.3507 -6.1219 -6.1219 -2.9690 -2.9690 -2.8899 -2.8899 -1.7425 -1.7425 -1.6310 -1.6310 -1.3479 -1.3479 -1.2388 -1.2388 0.6570 0.6570 1.0735 1.0735 1.6530 1.6530 1.9464 1.9464 1.9902 1.9902 2.2449 2.2449 2.8635 2.8635 2.9205 2.9205 3.5912 3.5912 3.7382 3.7382 3.7913 3.7913 3.8074 3.8074 4.5628 4.5628 4.8539 4.8539 5.0032 5.0032 5.4635 5.4635 8.3599 8.3599 8.8368 8.8368 9.3207 9.3207 9.8380 9.8380 10.0375 10.0375 k =-0.4201 0.5093 0.3422 ( 16103 PWs) bands (ev): -14.0242 -14.0242 -13.9932 -13.9932 -6.3296 -6.3296 -6.1455 -6.1455 -2.9639 -2.9639 -2.8970 -2.8970 -1.7343 -1.7343 -1.6425 -1.6425 -1.3335 -1.3335 -1.2446 -1.2446 0.7004 0.7004 1.0415 1.0415 1.6861 1.6861 1.9548 1.9548 1.9741 1.9741 2.1970 2.1970 2.8589 2.8589 2.9125 2.9125 3.6100 3.6100 3.7396 3.7396 3.7760 3.7760 3.8020 3.8020 4.5998 4.5998 4.8379 4.8379 5.0469 5.0469 5.4179 5.4179 8.3641 8.3641 8.7537 8.7537 9.3924 9.3924 9.8478 9.8478 10.0643 10.0643 k =-0.4201 0.5093 0.3593 ( 16103 PWs) bands (ev): -14.0204 -14.0204 -13.9970 -13.9970 -6.3079 -6.3079 -6.1692 -6.1692 -2.9590 -2.9590 -2.9036 -2.9036 -1.7261 -1.7261 -1.6533 -1.6533 -1.3196 -1.3196 -1.2517 -1.2517 0.7447 0.7447 1.0050 1.0050 1.7224 1.7224 1.9373 1.9373 1.9825 1.9825 2.1530 2.1530 2.8557 2.8557 2.9060 2.9060 3.6295 3.6295 3.7379 3.7379 3.7615 3.7615 3.7980 3.7980 4.6359 4.6359 4.8175 4.8175 5.0923 5.0923 5.3720 5.3720 8.3791 8.3791 8.6761 8.6761 9.4631 9.4631 9.8220 9.8220 10.1225 10.1225 k =-0.4201 0.5093 0.3765 ( 16118 PWs) bands (ev): -14.0165 -14.0165 -14.0009 -14.0009 -6.2856 -6.2856 -6.1929 -6.1929 -2.9546 -2.9546 -2.9092 -2.9092 -1.7184 -1.7184 -1.6628 -1.6628 -1.3062 -1.3062 -1.2599 -1.2599 0.7894 0.7894 0.9651 0.9651 1.7607 1.7607 1.9085 1.9085 2.0007 2.0007 2.1139 2.1139 2.8536 2.8536 2.9011 2.9011 3.6495 3.6495 3.7275 3.7275 3.7544 3.7544 3.7950 3.7950 4.6710 4.6710 4.7936 4.7936 5.1384 5.1384 5.3259 5.3259 8.4048 8.4048 8.6051 8.6051 9.5324 9.5324 9.7776 9.7776 10.1948 10.1948 k =-0.4201 0.5093 0.3936 ( 16128 PWs) bands (ev): -14.0126 -14.0126 -14.0048 -14.0048 -6.2629 -6.2629 -6.2164 -6.2164 -2.9514 -2.9514 -2.9131 -2.9131 -1.7122 -1.7122 -1.6702 -1.6702 -1.2939 -1.2939 -1.2691 -1.2691 0.8343 0.8343 0.9228 0.9228 1.7997 1.7997 1.8752 1.8752 2.0220 2.0220 2.0802 2.0802 2.8525 2.8525 2.8981 2.8981 3.6695 3.6695 3.7103 3.7103 3.7533 3.7533 3.7931 3.7931 4.7044 4.7044 4.7668 4.7668 5.1845 5.1845 5.2798 5.2798 8.4409 8.4409 8.5417 8.5417 9.5993 9.5993 9.7238 9.7238 10.2712 10.2712 k =-0.4201 0.5093 0.4107 ( 16120 PWs) bands (ev): -14.0087 -14.0087 -14.0087 -14.0087 -6.2408 -6.2408 -6.2388 -6.2388 -2.9502 -2.9502 -2.9146 -2.9146 -1.7095 -1.7095 -1.6733 -1.6733 -1.2859 -1.2859 -1.2760 -1.2760 0.8766 0.8766 0.8814 0.8814 1.8342 1.8342 1.8426 1.8426 2.0401 2.0401 2.0580 2.0580 2.8522 2.8522 2.8971 2.8971 3.6858 3.6858 3.6946 3.6946 3.7532 3.7532 3.7924 3.7924 4.7316 4.7316 4.7419 4.7419 5.2225 5.2225 5.2419 5.2419 8.4859 8.4859 8.4875 8.4875 9.6578 9.6578 9.6694 9.6694 10.3300 10.3300 k =-0.4201 0.5093 0.4107 ( 16120 PWs) bands (ev): -14.0087 -14.0087 -14.0087 -14.0087 -6.2408 -6.2408 -6.2388 -6.2388 -2.9502 -2.9502 -2.9146 -2.9146 -1.7095 -1.7095 -1.6733 -1.6733 -1.2859 -1.2859 -1.2760 -1.2760 0.8766 0.8766 0.8814 0.8814 1.8342 1.8342 1.8426 1.8426 2.0401 2.0401 2.0580 2.0580 2.8522 2.8522 2.8971 2.8971 3.6858 3.6858 3.6946 3.6946 3.7532 3.7532 3.7924 3.7924 4.7316 4.7316 4.7419 4.7419 5.2225 5.2225 5.2419 5.2419 8.4859 8.4859 8.4875 8.4875 9.6578 9.6578 9.6694 9.6694 10.3300 10.3300 k =-0.4301 0.4972 0.4107 ( 16124 PWs) bands (ev): -14.0087 -14.0087 -14.0086 -14.0086 -6.2386 -6.2386 -6.2368 -6.2368 -2.9515 -2.9515 -2.9196 -2.9196 -1.7140 -1.7140 -1.6811 -1.6811 -1.2886 -1.2886 -1.2801 -1.2801 0.8773 0.8773 0.8817 0.8817 1.8352 1.8352 1.8425 1.8425 2.0471 2.0471 2.0639 2.0639 2.8586 2.8586 2.8992 2.8992 3.6883 3.6883 3.6956 3.6956 3.7575 3.7575 3.7911 3.7911 4.7360 4.7360 4.7451 4.7451 5.2339 5.2339 5.2497 5.2497 8.4771 8.4771 8.4785 8.4785 9.6361 9.6361 9.6477 9.6477 10.3476 10.3476 k =-0.4400 0.4851 0.4107 ( 16124 PWs) bands (ev): -14.0086 -14.0086 -14.0085 -14.0085 -6.2366 -6.2366 -6.2350 -6.2350 -2.9523 -2.9523 -2.9244 -2.9244 -1.7176 -1.7176 -1.6885 -1.6885 -1.2908 -1.2908 -1.2837 -1.2837 0.8781 0.8781 0.8820 0.8820 1.8362 1.8362 1.8423 1.8423 2.0536 2.0536 2.0689 2.0689 2.8648 2.8648 2.9006 2.9006 3.6905 3.6905 3.6964 3.6964 3.7615 3.7615 3.7897 3.7897 4.7402 4.7402 4.7481 4.7481 5.2444 5.2444 5.2570 5.2570 8.4693 8.4693 8.4706 8.4706 9.6165 9.6165 9.6276 9.6276 10.3638 10.3638 k =-0.4500 0.4730 0.4107 ( 16112 PWs) bands (ev): -14.0085 -14.0085 -14.0085 -14.0085 -6.2348 -6.2348 -6.2335 -6.2335 -2.9526 -2.9526 -2.9290 -2.9290 -1.7203 -1.7203 -1.6954 -1.6954 -1.2927 -1.2927 -1.2869 -1.2869 0.8788 0.8788 0.8821 0.8821 1.8370 1.8370 1.8421 1.8421 2.0595 2.0595 2.0729 2.0729 2.8708 2.8708 2.9013 2.9013 3.6923 3.6923 3.6971 3.6971 3.7651 3.7651 3.7882 3.7882 4.7440 4.7440 4.7506 4.7506 5.2538 5.2538 5.2635 5.2635 8.4627 8.4627 8.4638 8.4638 9.5996 9.5996 9.6096 9.6096 10.3783 10.3783 k =-0.4600 0.4608 0.4107 ( 16110 PWs) bands (ev): -14.0085 -14.0085 -14.0084 -14.0084 -6.2333 -6.2333 -6.2322 -6.2322 -2.9524 -2.9524 -2.9332 -2.9332 -1.7221 -1.7221 -1.7018 -1.7018 -1.2941 -1.2941 -1.2895 -1.2895 0.8794 0.8794 0.8822 0.8822 1.8378 1.8378 1.8419 1.8419 2.0647 2.0647 2.0758 2.0758 2.8764 2.8764 2.9012 2.9012 3.6938 3.6938 3.6976 3.6976 3.7685 3.7685 3.7866 3.7866 4.7474 4.7474 4.7526 4.7526 5.2618 5.2618 5.2691 5.2691 8.4573 8.4573 8.4582 8.4582 9.5855 9.5855 9.5940 9.5940 10.3910 10.3910 k =-0.4700 0.4487 0.4107 ( 16104 PWs) bands (ev): -14.0084 -14.0084 -14.0084 -14.0084 -6.2321 -6.2321 -6.2312 -6.2312 -2.9517 -2.9517 -2.9372 -2.9372 -1.7229 -1.7229 -1.7074 -1.7074 -1.2951 -1.2951 -1.2917 -1.2917 0.8801 0.8801 0.8822 0.8822 1.8386 1.8386 1.8416 1.8416 2.0692 2.0692 2.0778 2.0778 2.8816 2.8816 2.9005 2.9005 3.6951 3.6951 3.6979 3.6979 3.7715 3.7715 3.7849 3.7849 4.7502 4.7502 4.7541 4.7541 5.2683 5.2683 5.2735 5.2735 8.4531 8.4531 8.4538 8.4538 9.5746 9.5746 9.5813 9.5813 10.4015 10.4015 k =-0.4800 0.4366 0.4107 ( 16100 PWs) bands (ev): -14.0084 -14.0084 -14.0084 -14.0084 -6.2311 -6.2311 -6.2306 -6.2306 -2.9505 -2.9505 -2.9407 -2.9407 -1.7227 -1.7227 -1.7122 -1.7122 -1.2957 -1.2957 -1.2935 -1.2935 0.8806 0.8806 0.8820 0.8820 1.8392 1.8392 1.8412 1.8412 2.0729 2.0729 2.0787 2.0787 2.8863 2.8863 2.8990 2.8990 3.6961 3.6961 3.6980 3.6980 3.7743 3.7743 3.7831 3.7831 4.7525 4.7525 4.7551 4.7551 5.2733 5.2733 5.2766 5.2766 8.4501 8.4501 8.4506 8.4506 9.5671 9.5671 9.5717 9.5717 10.4099 10.4099 k =-0.4900 0.4245 0.4107 ( 16092 PWs) bands (ev): -14.0084 -14.0084 -14.0084 -14.0084 -6.2305 -6.2305 -6.2302 -6.2302 -2.9488 -2.9488 -2.9439 -2.9439 -1.7215 -1.7215 -1.7163 -1.7163 -1.2958 -1.2958 -1.2947 -1.2947 0.8811 0.8811 0.8818 0.8818 1.8398 1.8398 1.8408 1.8408 2.0757 2.0757 2.0787 2.0787 2.8905 2.8905 2.8969 2.8969 3.6969 3.6969 3.6978 3.6978 3.7768 3.7768 3.7812 3.7812 4.7541 4.7541 4.7554 4.7554 5.2766 5.2766 5.2782 5.2782 8.4484 8.4484 8.4486 8.4486 9.5630 9.5630 9.5653 9.5653 10.4160 10.4160 k =-0.5000 0.4124 0.4107 ( 16092 PWs) bands (ev): -14.0084 -14.0084 -14.0084 -14.0084 -6.2302 -6.2302 -6.2302 -6.2302 -2.9466 -2.9466 -2.9466 -2.9466 -1.7194 -1.7194 -1.7194 -1.7194 -1.2955 -1.2955 -1.2955 -1.2955 0.8815 0.8815 0.8815 0.8815 1.8404 1.8404 1.8404 1.8404 2.0777 2.0777 2.0777 2.0777 2.8940 2.8940 2.8940 2.8940 3.6975 3.6975 3.6975 3.6975 3.7791 3.7791 3.7791 3.7791 4.7551 4.7551 4.7551 4.7551 5.2782 5.2782 5.2782 5.2782 8.4479 8.4479 8.4479 8.4479 9.5624 9.5624 9.5624 9.5624 10.4197 10.4197 k =-0.5000 0.4124 0.4107 ( 16092 PWs) bands (ev): -14.0084 -14.0084 -14.0084 -14.0084 -6.2302 -6.2302 -6.2302 -6.2302 -2.9466 -2.9466 -2.9466 -2.9466 -1.7194 -1.7194 -1.7194 -1.7194 -1.2955 -1.2955 -1.2955 -1.2955 0.8815 0.8815 0.8815 0.8815 1.8404 1.8404 1.8404 1.8404 2.0777 2.0777 2.0777 2.0777 2.8940 2.8940 2.8940 2.8940 3.6975 3.6975 3.6975 3.6975 3.7791 3.7791 3.7791 3.7791 4.7551 4.7551 4.7551 4.7551 5.2782 5.2782 5.2782 5.2782 8.4479 8.4479 8.4479 8.4479 9.5624 9.5624 9.5624 9.5624 10.4197 10.4197 k =-0.5000 0.4124 0.3936 ( 16108 PWs) bands (ev): -14.0122 -14.0122 -14.0045 -14.0045 -6.2532 -6.2532 -6.2069 -6.2069 -2.9532 -2.9532 -2.9397 -2.9397 -1.7291 -1.7291 -1.7092 -1.7092 -1.3078 -1.3078 -1.2844 -1.2844 0.8367 0.8367 0.9255 0.9255 1.8016 1.8016 1.8775 1.8775 2.0536 2.0536 2.1055 2.1055 2.8901 2.8901 2.8992 2.8992 3.6780 3.6780 3.7164 3.7164 3.7744 3.7744 3.7844 3.7844 4.7215 4.7215 4.7864 4.7864 5.2327 5.2327 5.3240 5.3240 8.3998 8.3998 8.5053 8.5053 9.4853 9.4853 9.6376 9.6376 10.3455 10.3455 k =-0.5000 0.4124 0.3765 ( 16094 PWs) bands (ev): -14.0161 -14.0161 -14.0007 -14.0007 -6.2758 -6.2758 -6.1834 -6.1834 -2.9596 -2.9596 -2.9325 -2.9325 -1.7383 -1.7383 -1.6985 -1.6985 -1.3210 -1.3210 -1.2746 -1.2746 0.7917 0.7917 0.9680 0.9680 1.7625 1.7625 1.9117 1.9117 2.0326 2.0326 2.1376 2.1376 2.8877 2.8877 2.9056 2.9056 3.6585 3.6585 3.7339 3.7339 3.7712 3.7712 3.7902 3.7902 4.6860 4.6860 4.8150 4.8150 5.1875 5.1875 5.3698 5.3698 8.3616 8.3616 8.5713 8.5713 9.4070 9.4070 9.7098 9.7098 10.2703 10.2703 k =-0.5000 0.4124 0.3593 ( 16108 PWs) bands (ev): -14.0199 -14.0199 -13.9969 -13.9969 -6.2980 -6.2980 -6.1598 -6.1598 -2.9657 -2.9657 -2.9251 -2.9251 -1.7471 -1.7471 -1.6873 -1.6873 -1.3352 -1.3352 -1.2661 -1.2661 0.7469 0.7469 1.0082 1.0082 1.7243 1.7243 1.9422 1.9422 2.0143 2.0143 2.1745 2.1745 2.8867 2.8867 2.9131 2.9131 3.6391 3.6391 3.7469 3.7469 3.7720 3.7720 3.7965 3.7965 4.6490 4.6490 4.8404 4.8404 5.1429 5.1429 5.4157 5.4157 8.3340 8.3340 8.6451 8.6451 9.3279 9.3279 9.7773 9.7773 10.1964 10.1964 k =-0.5000 0.4124 0.3422 ( 16108 PWs) bands (ev): -14.0236 -14.0236 -13.9931 -13.9931 -6.3197 -6.3197 -6.1361 -6.1361 -2.9715 -2.9715 -2.9175 -2.9175 -1.7554 -1.7554 -1.6757 -1.6757 -1.3500 -1.3500 -1.2589 -1.2589 0.7025 0.7025 1.0452 1.0452 1.6882 1.6882 1.9679 1.9679 1.9990 1.9990 2.2162 2.2162 2.8874 2.8874 2.9216 2.9216 3.6201 3.6201 3.7507 3.7507 3.7808 3.7808 3.8037 3.8037 4.6109 4.6109 4.8623 4.8623 5.0990 5.0990 5.4615 5.4615 8.3172 8.3172 8.7258 8.7258 9.2485 9.2485 9.8358 9.8358 10.1287 10.1287 k =-0.5000 0.4124 0.3251 ( 16104 PWs) bands (ev): -14.0273 -14.0273 -13.9895 -13.9895 -6.3408 -6.3408 -6.1126 -6.1126 -2.9772 -2.9772 -2.9097 -2.9097 -1.7632 -1.7632 -1.6637 -1.6637 -1.3653 -1.3653 -1.2531 -1.2531 0.6589 0.6589 1.0776 1.0776 1.6556 1.6556 1.9785 1.9785 1.9969 1.9969 2.2621 2.2621 2.8898 2.8898 2.9312 2.9312 3.6018 3.6018 3.7492 3.7492 3.7928 3.7928 3.8124 3.8124 4.5721 4.5721 4.8801 4.8801 5.0565 5.0565 5.5072 5.5072 8.3115 8.3115 8.8125 8.8125 9.1693 9.1693 9.8721 9.8721 10.0803 10.0803 k =-0.5000 0.4124 0.3080 ( 16076 PWs) bands (ev): -14.0309 -14.0309 -13.9859 -13.9859 -6.3612 -6.3612 -6.0892 -6.0892 -2.9827 -2.9827 -2.9018 -2.9018 -1.7707 -1.7707 -1.6513 -1.6513 -1.3809 -1.3809 -1.2487 -1.2487 0.6164 0.6164 1.1041 1.1041 1.6278 1.6278 1.9688 1.9688 2.0139 2.0139 2.3115 2.3115 2.8941 2.8941 2.9415 2.9415 3.5842 3.5842 3.7465 3.7465 3.8028 3.8028 3.8235 3.8235 4.5328 4.5328 4.8925 4.8925 5.0166 5.0166 5.5526 5.5526 8.3168 8.3168 8.9038 8.9038 9.0907 9.0907 9.8619 9.8619 10.0761 10.0761 k =-0.5000 0.4124 0.2909 ( 16078 PWs) bands (ev): -14.0345 -14.0345 -13.9823 -13.9823 -6.3809 -6.3809 -6.0662 -6.0662 -2.9880 -2.9880 -2.8938 -2.8938 -1.7778 -1.7778 -1.6386 -1.6386 -1.3964 -1.3964 -1.2455 -1.2455 0.5749 0.5749 1.1234 1.1234 1.6057 1.6057 1.9588 1.9588 2.0301 2.0301 2.3635 2.3635 2.9005 2.9005 2.9526 2.9526 3.5677 3.5677 3.7436 3.7436 3.8102 3.8102 3.8361 3.8361 4.4931 4.4931 4.8961 4.8961 4.9833 4.9833 5.5977 5.5977 8.3330 8.3330 8.9944 8.9944 9.0173 9.0173 9.8107 9.8107 10.1104 10.1104 k =-0.5000 0.4124 0.2738 ( 16062 PWs) bands (ev): -14.0379 -14.0379 -13.9790 -13.9790 -6.3998 -6.3998 -6.0435 -6.0435 -2.9931 -2.9931 -2.8857 -2.8857 -1.7846 -1.7846 -1.6256 -1.6256 -1.4117 -1.4117 -1.2436 -1.2436 0.5348 0.5348 1.1342 1.1342 1.5904 1.5904 1.9507 1.9507 2.0442 2.0442 2.4176 2.4176 2.9091 2.9091 2.9643 2.9643 3.5522 3.5522 3.7409 3.7409 3.8159 3.8159 3.8488 3.8488 4.4533 4.4533 4.8834 4.8834 4.9645 4.9645 5.6424 5.6424 8.3595 8.3595 8.9352 8.9352 9.0972 9.0972 9.7444 9.7444 10.1577 10.1577 k =-0.5000 0.4124 0.2567 ( 16054 PWs) bands (ev): -14.0411 -14.0411 -13.9757 -13.9757 -6.4178 -6.4178 -6.0214 -6.0214 -2.9982 -2.9982 -2.8777 -2.8777 -1.7911 -1.7911 -1.6124 -1.6124 -1.4265 -1.4265 -1.2429 -1.2429 0.4961 0.4961 1.1364 1.1364 1.5817 1.5817 1.9447 1.9447 2.0564 2.0564 2.4729 2.4729 2.9201 2.9201 2.9765 2.9765 3.5382 3.5382 3.7383 3.7383 3.8203 3.8203 3.8605 3.8605 4.4133 4.4133 4.8541 4.8541 4.9609 4.9609 5.6864 5.6864 8.3955 8.3955 8.8609 8.8609 9.1947 9.1947 9.6743 9.6743 10.2067 10.2067 k =-0.5000 0.4124 0.2396 ( 16058 PWs) bands (ev): -14.0443 -14.0443 -13.9726 -13.9726 -6.4350 -6.4350 -5.9998 -5.9998 -3.0031 -3.0031 -2.8698 -2.8698 -1.7974 -1.7974 -1.5990 -1.5990 -1.4405 -1.4405 -1.2433 -1.2433 0.4589 0.4589 1.1307 1.1307 1.5787 1.5787 1.9410 1.9410 2.0669 2.0669 2.5288 2.5288 2.9336 2.9336 2.9891 2.9891 3.5257 3.5257 3.7359 3.7359 3.8236 3.8236 3.8709 3.8709 4.3732 4.3732 4.8177 4.8177 4.9636 4.9636 5.7297 5.7297 8.4397 8.4397 8.7893 8.7893 9.2905 9.2905 9.6043 9.6043 10.2537 10.2537 k =-0.5000 0.4124 0.2225 ( 16056 PWs) bands (ev): -14.0473 -14.0473 -13.9696 -13.9696 -6.4512 -6.4512 -5.9791 -5.9791 -3.0079 -3.0079 -2.8620 -2.8620 -1.8034 -1.8034 -1.5857 -1.5857 -1.4536 -1.4536 -1.2446 -1.2446 0.4235 0.4235 1.1185 1.1185 1.5798 1.5798 1.9396 1.9396 2.0760 2.0760 2.5847 2.5847 2.9499 2.9499 3.0018 3.0018 3.5149 3.5149 3.7335 3.7335 3.8257 3.8257 3.8800 3.8800 4.3329 4.3329 4.7793 4.7793 4.9684 4.9684 5.7721 5.7721 8.4892 8.4892 8.7226 8.7226 9.3819 9.3819 9.5363 9.5363 10.2974 10.2974 k =-0.5000 0.4124 0.2053 ( 16052 PWs) bands (ev): -14.0501 -14.0501 -13.9668 -13.9668 -6.4664 -6.4664 -5.9592 -5.9592 -3.0127 -3.0127 -2.8545 -2.8545 -1.8093 -1.8093 -1.5725 -1.5725 -1.4654 -1.4654 -1.2468 -1.2468 0.3897 0.3897 1.1016 1.1016 1.5833 1.5833 1.9403 1.9403 2.0838 2.0838 2.6399 2.6399 2.9692 2.9692 3.0146 3.0146 3.5062 3.5062 3.7312 3.7312 3.8262 3.8262 3.8878 3.8878 4.2924 4.2924 4.7408 4.7408 4.9740 4.9740 5.8134 5.8134 8.5348 8.5348 8.6692 8.6692 9.4631 9.4631 9.4742 9.4742 10.3372 10.3372 k =-0.5000 0.4124 0.1882 ( 16074 PWs) bands (ev): -14.0527 -14.0527 -13.9642 -13.9642 -6.4805 -6.4805 -5.9403 -5.9403 -3.0173 -3.0173 -2.8473 -2.8473 -1.8149 -1.8149 -1.5597 -1.5597 -1.4759 -1.4759 -1.2497 -1.2497 0.3579 0.3579 1.0818 1.0818 1.5877 1.5877 1.9430 1.9430 2.0905 2.0905 2.6934 2.6934 2.9916 2.9916 3.0272 3.0272 3.4996 3.4996 3.7285 3.7285 3.8251 3.8251 3.8945 3.8945 4.2516 4.2516 4.7029 4.7029 4.9802 4.9802 5.8532 5.8533 8.5386 8.5386 8.6656 8.6656 9.4109 9.4109 9.5386 9.5386 10.3732 10.3732 k =-0.5000 0.4124 0.1711 ( 16070 PWs) bands (ev): -14.0552 -14.0552 -13.9617 -13.9617 -6.4935 -6.4935 -5.9226 -5.9226 -3.0218 -3.0218 -2.8404 -2.8404 -1.8204 -1.8204 -1.5474 -1.5474 -1.4848 -1.4848 -1.2532 -1.2532 0.3281 0.3281 1.0606 1.0606 1.5919 1.5919 1.9471 1.9471 2.0962 2.0962 2.7444 2.7444 3.0173 3.0173 3.0397 3.0397 3.4955 3.4955 3.7252 3.7252 3.8224 3.8224 3.9003 3.9003 4.2108 4.2108 4.6661 4.6661 4.9869 4.9869 5.8915 5.8915 8.4944 8.4944 8.7163 8.7163 9.3569 9.3569 9.5964 9.5964 10.4063 10.4063 k =-0.5000 0.4124 0.1540 ( 16062 PWs) bands (ev): -14.0574 -14.0574 -13.9595 -13.9595 -6.5055 -6.5055 -5.9061 -5.9061 -3.0262 -3.0262 -2.8339 -2.8339 -1.8256 -1.8256 -1.5362 -1.5362 -1.4918 -1.4918 -1.2571 -1.2571 0.3005 0.3005 1.0391 1.0391 1.5953 1.5953 1.9523 1.9523 2.1012 2.1012 2.7919 2.7919 3.0446 3.0446 3.0538 3.0538 3.4940 3.4940 3.7210 3.7210 3.8180 3.8180 3.9053 3.9053 4.1700 4.1700 4.6309 4.6309 4.9943 4.9943 5.9278 5.9278 8.4412 8.4412 8.7795 8.7795 9.3112 9.3112 9.6376 9.6376 10.4371 10.4371 k =-0.5000 0.4124 0.1369 ( 16074 PWs) bands (ev): -14.0595 -14.0595 -13.9575 -13.9575 -6.5162 -6.5162 -5.8910 -5.8910 -3.0303 -3.0303 -2.8280 -2.8280 -1.8305 -1.8305 -1.5269 -1.5269 -1.4961 -1.4961 -1.2612 -1.2612 0.2751 0.2751 1.0181 1.0181 1.5978 1.5978 1.9580 1.9580 2.1055 2.1055 2.8349 2.8349 3.0602 3.0602 3.0824 3.0824 3.4955 3.4955 3.7154 3.7154 3.8122 3.8122 3.9094 3.9094 4.1299 4.1299 4.5975 4.5975 5.0022 5.0022 5.9619 5.9619 8.3890 8.3890 8.8408 8.8408 9.2774 9.2774 9.6621 9.6621 10.4656 10.4656 k =-0.5000 0.4124 0.1198 ( 16066 PWs) bands (ev): -14.0613 -14.0613 -13.9556 -13.9556 -6.5258 -6.5258 -5.8773 -5.8773 -3.0342 -3.0342 -2.8226 -2.8226 -1.8351 -1.8351 -1.5214 -1.5214 -1.4962 -1.4962 -1.2655 -1.2655 0.2522 0.2522 0.9984 0.9984 1.5994 1.5994 1.9638 1.9638 2.1093 2.1093 2.8727 2.8727 3.0707 3.0707 3.1186 3.1186 3.5002 3.5002 3.7081 3.7081 3.8050 3.8050 3.9123 3.9123 4.0914 4.0914 4.5664 4.5664 5.0103 5.0103 5.9933 5.9933 8.3406 8.3406 8.8914 8.8914 9.2611 9.2611 9.6725 9.6725 10.4913 10.4913 k =-0.5000 0.4124 0.1027 ( 16070 PWs) bands (ev): -14.0629 -14.0629 -13.9541 -13.9541 -6.5341 -6.5341 -5.8652 -5.8652 -3.0377 -3.0377 -2.8178 -2.8178 -1.8393 -1.8393 -1.5203 -1.5203 -1.4916 -1.4916 -1.2696 -1.2696 0.2320 0.2320 0.9805 0.9805 1.6003 1.6003 1.9692 1.9692 2.1126 2.1126 2.9049 2.9049 3.0798 3.0798 3.1574 3.1574 3.5082 3.5082 3.6988 3.6988 3.7964 3.7964 3.9133 3.9133 4.0561 4.0561 4.5380 4.5380 5.0184 5.0184 6.0216 6.0216 8.2969 8.2969 8.9234 8.9234 9.2675 9.2675 9.6724 9.6724 10.5135 10.5135 k =-0.5000 0.4124 0.0856 ( 16070 PWs) bands (ev): -14.0642 -14.0642 -13.9527 -13.9527 -6.5412 -6.5412 -5.8548 -5.8548 -3.0409 -3.0409 -2.8136 -2.8136 -1.8430 -1.8430 -1.5214 -1.5214 -1.4851 -1.4851 -1.2736 -1.2736 0.2145 0.2145 0.9648 0.9648 1.6006 1.6006 1.9740 1.9740 2.1154 2.1154 2.9316 2.9316 3.0876 3.0876 3.1969 3.1969 3.5198 3.5198 3.6878 3.6878 3.7857 3.7857 3.9113 3.9113 4.0264 4.0264 4.5127 4.5127 5.0261 5.0261 6.0465 6.0465 8.2587 8.2587 8.9355 8.9355 9.2957 9.2957 9.6659 9.6659 10.5318 10.5318 k =-0.5000 0.4124 0.0684 ( 16086 PWs) bands (ev): -14.0654 -14.0654 -13.9516 -13.9516 -6.5471 -6.5471 -5.8462 -5.8462 -3.0435 -3.0435 -2.8102 -2.8102 -1.8461 -1.8461 -1.5228 -1.5228 -1.4786 -1.4786 -1.2770 -1.2770 0.2000 0.2000 0.9515 0.9515 1.6006 1.6006 1.9781 1.9781 2.1177 2.1177 2.9531 2.9531 3.0941 3.0941 3.2348 3.2348 3.5350 3.5350 3.6755 3.6755 3.7718 3.7718 3.9055 3.9055 4.0049 4.0049 4.4911 4.4911 5.0331 5.0331 6.0676 6.0676 8.2265 8.2265 8.9337 8.9337 9.3370 9.3370 9.6565 9.6565 10.5464 10.5464 k =-0.5000 0.4124 0.0513 ( 16088 PWs) bands (ev): -14.0662 -14.0662 -13.9507 -13.9507 -6.5516 -6.5516 -5.8394 -5.8394 -3.0457 -3.0457 -2.8075 -2.8075 -1.8487 -1.8487 -1.5240 -1.5240 -1.4731 -1.4731 -1.2799 -1.2799 0.1885 0.1885 0.9410 0.9410 1.6003 1.6003 1.9812 1.9812 2.1195 2.1195 2.9695 2.9695 3.0992 3.0992 3.2689 3.2689 3.5534 3.5534 3.6630 3.6630 3.7540 3.7540 3.8969 3.8969 3.9921 3.9921 4.4736 4.4736 5.0390 5.0390 6.0844 6.0844 8.2010 8.2010 8.9261 8.9261 9.3801 9.3801 9.6468 9.6468 10.5573 10.5573 k =-0.5000 0.4124 0.0342 ( 16086 PWs) bands (ev): -14.0669 -14.0669 -13.9501 -13.9501 -6.5549 -6.5549 -5.8344 -5.8344 -3.0472 -3.0472 -2.8055 -2.8055 -1.8505 -1.8505 -1.5249 -1.5249 -1.4690 -1.4690 -1.2821 -1.2821 0.1802 0.1802 0.9333 0.9333 1.6001 1.6001 1.9835 1.9835 2.1209 2.1209 2.9810 2.9810 3.1030 3.1030 3.2962 3.2962 3.5740 3.5740 3.6516 3.6516 3.7332 3.7332 3.8887 3.8887 3.9859 3.9859 4.4607 4.4607 5.0434 5.0434 6.0967 6.0967 8.1824 8.1824 8.9179 8.9179 9.4167 9.4167 9.6390 9.6390 10.5649 10.5649 k =-0.5000 0.4124 0.0171 ( 16088 PWs) bands (ev): -14.0673 -14.0673 -13.9497 -13.9497 -6.5569 -6.5569 -5.8315 -5.8315 -3.0482 -3.0482 -2.8043 -2.8043 -1.8516 -1.8516 -1.5254 -1.5254 -1.4664 -1.4664 -1.2835 -1.2835 0.1752 0.1752 0.9287 0.9287 1.5999 1.5999 1.9849 1.9849 2.1217 2.1217 2.9879 2.9879 3.1052 3.1052 3.3141 3.3141 3.5934 3.5934 3.6426 3.6426 3.7140 3.7140 3.8832 3.8832 3.9833 3.9833 4.4527 4.4527 5.0462 5.0462 6.1042 6.1042 8.1712 8.1712 8.9120 8.9120 9.4408 9.4408 9.6340 9.6340 10.5693 10.5693 k =-0.5000 0.4124 0.0000 ( 16080 PWs) bands (ev): -14.0674 -14.0674 -13.9496 -13.9496 -6.5575 -6.5575 -5.8305 -5.8305 -3.0485 -3.0485 -2.8039 -2.8039 -1.8520 -1.8520 -1.5255 -1.5255 -1.4656 -1.4656 -1.2840 -1.2840 0.1736 0.1736 0.9272 0.9272 1.5998 1.5998 1.9853 1.9853 2.1220 2.1220 2.9901 2.9901 3.1060 3.1060 3.3203 3.3203 3.6028 3.6028 3.6384 3.6384 3.7054 3.7054 3.8813 3.8813 3.9827 3.9827 4.4501 4.4501 5.0471 5.0471 6.1067 6.1067 8.1674 8.1674 8.9100 8.9100 9.4492 9.4492 9.6324 9.6324 10.5708 10.5708 k = 0.0000 0.0000 0.4107 ( 16072 PWs) bands (ev): -14.0175 -14.0175 -14.0175 -14.0175 -6.2328 -6.2328 -6.2328 -6.2328 -2.8724 -2.8724 -2.8724 -2.8724 -1.5798 -1.5798 -1.5798 -1.5798 -1.2973 -1.2973 -1.2973 -1.2973 0.8764 0.8764 0.8764 0.8764 1.8399 1.8399 1.8399 1.8399 2.0276 2.0276 2.0276 2.0276 2.8383 2.8383 2.8383 2.8383 3.5689 3.5689 3.5689 3.5689 3.6912 3.6912 3.6912 3.6912 4.7720 4.7720 4.7720 4.7720 5.4543 5.4543 5.4543 5.4543 8.5457 8.5457 8.5457 8.5457 8.8504 8.8504 8.8504 8.8504 10.2776 10.2776 k =-0.0132 0.0109 0.4107 ( 16080 PWs) bands (ev): -14.0174 -14.0174 -14.0174 -14.0174 -6.2328 -6.2328 -6.2328 -6.2328 -2.8724 -2.8724 -2.8724 -2.8724 -1.5800 -1.5800 -1.5800 -1.5800 -1.2971 -1.2971 -1.2971 -1.2971 0.8762 0.8762 0.8762 0.8762 1.8396 1.8396 1.8396 1.8396 2.0277 2.0277 2.0277 2.0277 2.8384 2.8384 2.8384 2.8384 3.5685 3.5685 3.5685 3.5685 3.6913 3.6913 3.6913 3.6913 4.7721 4.7721 4.7721 4.7721 5.4539 5.4539 5.4539 5.4539 8.5475 8.5475 8.5475 8.5475 8.8535 8.8535 8.8535 8.8535 10.2807 10.2807 k =-0.0263 0.0217 0.4107 ( 16086 PWs) bands (ev): -14.0174 -14.0174 -14.0174 -14.0174 -6.2329 -6.2329 -6.2329 -6.2329 -2.8726 -2.8726 -2.8726 -2.8726 -1.5805 -1.5805 -1.5805 -1.5805 -1.2965 -1.2965 -1.2965 -1.2965 0.8755 0.8755 0.8755 0.8755 1.8389 1.8389 1.8389 1.8389 2.0278 2.0278 2.0278 2.0278 2.8386 2.8386 2.8386 2.8386 3.5676 3.5676 3.5676 3.5676 3.6916 3.6916 3.6916 3.6916 4.7727 4.7727 4.7727 4.7727 5.4528 5.4528 5.4528 5.4528 8.5528 8.5528 8.5528 8.5528 8.8627 8.8627 8.8627 8.8627 10.2898 10.2898 k =-0.0395 0.0326 0.4107 ( 16088 PWs) bands (ev): -14.0173 -14.0173 -14.0173 -14.0173 -6.2331 -6.2331 -6.2331 -6.2331 -2.8728 -2.8728 -2.8728 -2.8728 -1.5814 -1.5814 -1.5814 -1.5814 -1.2956 -1.2956 -1.2956 -1.2956 0.8744 0.8744 0.8744 0.8744 1.8378 1.8378 1.8378 1.8378 2.0281 2.0281 2.0281 2.0281 2.8388 2.8388 2.8388 2.8388 3.5660 3.5660 3.5660 3.5660 3.6922 3.6922 3.6922 3.6922 4.7735 4.7735 4.7735 4.7735 5.4508 5.4508 5.4508 5.4508 8.5617 8.5617 8.5617 8.5617 8.8779 8.8779 8.8779 8.8779 10.3044 10.3044 k =-0.0526 0.0434 0.4107 ( 16124 PWs) bands (ev): -14.0172 -14.0172 -14.0172 -14.0172 -6.2333 -6.2333 -6.2333 -6.2333 -2.8732 -2.8732 -2.8732 -2.8732 -1.5826 -1.5826 -1.5826 -1.5826 -1.2944 -1.2944 -1.2944 -1.2944 0.8729 0.8729 0.8729 0.8729 1.8362 1.8362 1.8362 1.8362 2.0285 2.0285 2.0285 2.0285 2.8392 2.8392 2.8392 2.8392 3.5639 3.5639 3.5639 3.5639 3.6931 3.6931 3.6931 3.6931 4.7746 4.7746 4.7746 4.7746 5.4482 5.4482 5.4482 5.4482 8.5741 8.5741 8.5741 8.5741 8.8992 8.8992 8.8992 8.8992 10.3236 10.3236 k =-0.0658 0.0543 0.4107 ( 16112 PWs) bands (ev): -14.0171 -14.0171 -14.0171 -14.0171 -6.2336 -6.2336 -6.2336 -6.2336 -2.8736 -2.8736 -2.8736 -2.8736 -1.5841 -1.5841 -1.5841 -1.5841 -1.2929 -1.2929 -1.2929 -1.2929 0.8711 0.8711 0.8711 0.8711 1.8343 1.8343 1.8343 1.8343 2.0291 2.0291 2.0291 2.0291 2.8397 2.8397 2.8397 2.8397 3.5614 3.5614 3.5614 3.5614 3.6942 3.6942 3.6942 3.6942 4.7760 4.7760 4.7760 4.7760 5.4448 5.4448 5.4448 5.4448 8.5899 8.5899 8.5899 8.5899 8.9261 8.9261 8.9261 8.9261 10.3457 10.3457 k =-0.0789 0.0651 0.4107 ( 16108 PWs) bands (ev): -14.0169 -14.0169 -14.0169 -14.0169 -6.2340 -6.2340 -6.2340 -6.2340 -2.8742 -2.8742 -2.8742 -2.8742 -1.5860 -1.5860 -1.5860 -1.5860 -1.2912 -1.2912 -1.2912 -1.2912 0.8689 0.8689 0.8689 0.8689 1.8320 1.8320 1.8320 1.8320 2.0298 2.0298 2.0298 2.0298 2.8403 2.8403 2.8403 2.8403 3.5586 3.5586 3.5586 3.5586 3.6955 3.6955 3.6955 3.6955 4.7776 4.7776 4.7776 4.7776 5.4408 5.4408 5.4408 5.4408 8.6090 8.6090 8.6090 8.6090 8.9585 8.9585 8.9585 8.9585 10.3684 10.3684 k =-0.0921 0.0760 0.4107 ( 16108 PWs) bands (ev): -14.0167 -14.0167 -14.0167 -14.0167 -6.2343 -6.2343 -6.2343 -6.2343 -2.8750 -2.8750 -2.8750 -2.8750 -1.5882 -1.5882 -1.5882 -1.5882 -1.2892 -1.2892 -1.2892 -1.2892 0.8664 0.8664 0.8664 0.8664 1.8295 1.8295 1.8295 1.8295 2.0306 2.0306 2.0306 2.0306 2.8410 2.8410 2.8410 2.8410 3.5556 3.5556 3.5556 3.5556 3.6971 3.6971 3.6971 3.6971 4.7793 4.7793 4.7793 4.7793 5.4362 5.4362 5.4362 5.4362 8.6313 8.6313 8.6313 8.6313 8.9961 8.9961 8.9961 8.9961 10.3880 10.3880 k =-0.1053 0.0868 0.4107 ( 16104 PWs) bands (ev): -14.0165 -14.0165 -14.0165 -14.0165 -6.2347 -6.2347 -6.2347 -6.2347 -2.8759 -2.8759 -2.8759 -2.8759 -1.5908 -1.5908 -1.5908 -1.5908 -1.2871 -1.2871 -1.2871 -1.2871 0.8638 0.8638 0.8638 0.8638 1.8268 1.8268 1.8268 1.8268 2.0316 2.0316 2.0316 2.0316 2.8418 2.8418 2.8418 2.8418 3.5526 3.5526 3.5526 3.5526 3.6989 3.6989 3.6989 3.6989 4.7810 4.7810 4.7810 4.7810 5.4310 5.4310 5.4310 5.4310 8.6566 8.6566 8.6566 8.6566 9.0382 9.0382 9.0382 9.0382 10.3994 10.3994 k =-0.1184 0.0977 0.4107 ( 16092 PWs) bands (ev): -14.0162 -14.0162 -14.0162 -14.0162 -6.2351 -6.2351 -6.2351 -6.2351 -2.8769 -2.8769 -2.8769 -2.8769 -1.5937 -1.5937 -1.5937 -1.5937 -1.2849 -1.2849 -1.2849 -1.2849 0.8611 0.8611 0.8611 0.8611 1.8240 1.8240 1.8240 1.8240 2.0327 2.0327 2.0327 2.0327 2.8428 2.8428 2.8428 2.8428 3.5497 3.5497 3.5497 3.5497 3.7009 3.7009 3.7009 3.7009 4.7829 4.7829 4.7829 4.7829 5.4253 5.4253 5.4253 5.4253 8.6847 8.6847 8.6847 8.6847 9.0841 9.0841 9.0841 9.0841 10.3971 10.3971 k =-0.1316 0.1085 0.4107 ( 16096 PWs) bands (ev): -14.0160 -14.0160 -14.0160 -14.0160 -6.2355 -6.2355 -6.2355 -6.2355 -2.8781 -2.8781 -2.8781 -2.8781 -1.5969 -1.5969 -1.5969 -1.5969 -1.2826 -1.2826 -1.2826 -1.2826 0.8583 0.8583 0.8583 0.8583 1.8212 1.8212 1.8212 1.8212 2.0340 2.0340 2.0340 2.0340 2.8438 2.8438 2.8438 2.8438 3.5471 3.5471 3.5471 3.5471 3.7032 3.7032 3.7032 3.7032 4.7847 4.7847 4.7847 4.7847 5.4192 5.4192 5.4192 5.4192 8.7155 8.7155 8.7155 8.7155 9.1330 9.1330 9.1330 9.1330 10.3773 10.3773 k =-0.1447 0.1194 0.4107 ( 16104 PWs) bands (ev): -14.0157 -14.0157 -14.0157 -14.0157 -6.2359 -6.2359 -6.2359 -6.2359 -2.8795 -2.8795 -2.8795 -2.8795 -1.6005 -1.6005 -1.6005 -1.6005 -1.2805 -1.2805 -1.2805 -1.2805 0.8556 0.8556 0.8556 0.8556 1.8184 1.8184 1.8184 1.8184 2.0355 2.0355 2.0355 2.0355 2.8450 2.8450 2.8450 2.8450 3.5449 3.5449 3.5449 3.5449 3.7057 3.7057 3.7057 3.7057 4.7866 4.7866 4.7866 4.7866 5.4126 5.4126 5.4126 5.4126 8.7487 8.7487 8.7487 8.7487 9.1833 9.1833 9.1833 9.1833 10.3404 10.3404 k =-0.1579 0.1302 0.4107 ( 16104 PWs) bands (ev): -14.0154 -14.0154 -14.0154 -14.0154 -6.2363 -6.2363 -6.2363 -6.2363 -2.8811 -2.8811 -2.8811 -2.8811 -1.6044 -1.6044 -1.6044 -1.6044 -1.2784 -1.2784 -1.2784 -1.2784 0.8530 0.8530 0.8530 0.8530 1.8157 1.8157 1.8157 1.8157 2.0370 2.0370 2.0370 2.0370 2.8462 2.8462 2.8462 2.8462 3.5431 3.5431 3.5431 3.5431 3.7084 3.7084 3.7084 3.7084 4.7884 4.7884 4.7884 4.7884 5.4058 5.4058 5.4058 5.4058 8.7840 8.7840 8.7840 8.7840 9.2332 9.2332 9.2332 9.2332 10.2917 10.2917 k =-0.1711 0.1411 0.4107 ( 16104 PWs) bands (ev): -14.0150 -14.0150 -14.0150 -14.0150 -6.2366 -6.2366 -6.2366 -6.2366 -2.8829 -2.8829 -2.8829 -2.8829 -1.6087 -1.6087 -1.6087 -1.6087 -1.2764 -1.2764 -1.2764 -1.2764 0.8506 0.8506 0.8506 0.8506 1.8132 1.8132 1.8132 1.8132 2.0387 2.0387 2.0387 2.0387 2.8476 2.8476 2.8476 2.8476 3.5420 3.5420 3.5420 3.5420 3.7113 3.7113 3.7113 3.7113 4.7901 4.7901 4.7901 4.7901 5.3987 5.3987 5.3987 5.3987 8.8212 8.8212 8.8212 8.8212 9.2797 9.2797 9.2797 9.2797 10.2384 10.2384 k =-0.1842 0.1519 0.4107 ( 16110 PWs) bands (ev): -14.0147 -14.0147 -14.0147 -14.0147 -6.2369 -6.2369 -6.2369 -6.2369 -2.8848 -2.8848 -2.8848 -2.8848 -1.6132 -1.6132 -1.6132 -1.6132 -1.2747 -1.2747 -1.2747 -1.2747 0.8486 0.8486 0.8486 0.8486 1.8110 1.8110 1.8110 1.8110 2.0405 2.0405 2.0405 2.0405 2.8491 2.8491 2.8491 2.8491 3.5416 3.5416 3.5416 3.5416 3.7143 3.7143 3.7143 3.7143 4.7918 4.7918 4.7918 4.7918 5.3915 5.3915 5.3915 5.3915 8.8599 8.8599 8.8599 8.8599 9.3189 9.3189 9.3189 9.3189 10.1885 10.1885 k =-0.1974 0.1628 0.4107 ( 16110 PWs) bands (ev): -14.0143 -14.0143 -14.0143 -14.0143 -6.2371 -6.2371 -6.2371 -6.2371 -2.8870 -2.8870 -2.8870 -2.8870 -1.6180 -1.6180 -1.6180 -1.6180 -1.2733 -1.2733 -1.2733 -1.2733 0.8469 0.8469 0.8469 0.8469 1.8091 1.8091 1.8091 1.8091 2.0424 2.0424 2.0424 2.0424 2.8507 2.8507 2.8507 2.8507 3.5419 3.5419 3.5419 3.5419 3.7175 3.7175 3.7175 3.7175 4.7935 4.7935 4.7935 4.7935 5.3841 5.3841 5.3841 5.3841 8.8998 8.8998 8.8998 8.8998 9.3458 9.3458 9.3458 9.3458 10.1500 10.1500 k =-0.2105 0.1736 0.4107 ( 16098 PWs) bands (ev): -14.0140 -14.0140 -14.0140 -14.0140 -6.2373 -6.2373 -6.2373 -6.2373 -2.8894 -2.8894 -2.8894 -2.8894 -1.6230 -1.6230 -1.6230 -1.6230 -1.2722 -1.2722 -1.2722 -1.2722 0.8456 0.8456 0.8456 0.8456 1.8076 1.8076 1.8076 1.8076 2.0444 2.0444 2.0444 2.0444 2.8524 2.8524 2.8524 2.8524 3.5431 3.5431 3.5431 3.5431 3.7208 3.7208 3.7208 3.7208 4.7950 4.7950 4.7950 4.7950 5.3766 5.3766 5.3766 5.3766 8.9405 8.9405 8.9405 8.9405 9.3551 9.3551 9.3551 9.3551 10.1298 10.1298 k =-0.2237 0.1845 0.4107 ( 16102 PWs) bands (ev): -14.0136 -14.0136 -14.0136 -14.0136 -6.2374 -6.2374 -6.2374 -6.2374 -2.8920 -2.8920 -2.8920 -2.8920 -1.6283 -1.6283 -1.6283 -1.6283 -1.2714 -1.2714 -1.2714 -1.2714 0.8449 0.8449 0.8449 0.8449 1.8064 1.8064 1.8064 1.8064 2.0465 2.0465 2.0465 2.0465 2.8542 2.8542 2.8542 2.8542 3.5452 3.5452 3.5452 3.5452 3.7242 3.7242 3.7242 3.7242 4.7965 4.7965 4.7965 4.7965 5.3692 5.3692 5.3692 5.3692 8.9812 8.9812 8.9812 8.9812 9.3440 9.3440 9.3440 9.3440 10.1322 10.1322 k =-0.2368 0.1953 0.4107 ( 16080 PWs) bands (ev): -14.0132 -14.0132 -14.0132 -14.0132 -6.2374 -6.2374 -6.2374 -6.2374 -2.8948 -2.8948 -2.8948 -2.8948 -1.6338 -1.6338 -1.6338 -1.6338 -1.2710 -1.2710 -1.2710 -1.2710 0.8446 0.8446 0.8446 0.8446 1.8057 1.8057 1.8057 1.8057 2.0486 2.0486 2.0486 2.0486 2.8562 2.8562 2.8562 2.8562 3.5483 3.5483 3.5483 3.5483 3.7277 3.7277 3.7277 3.7277 4.7977 4.7977 4.7977 4.7977 5.3618 5.3618 5.3618 5.3618 9.0211 9.0211 9.0211 9.0211 9.3140 9.3140 9.3140 9.3140 10.1567 10.1567 k =-0.2500 0.2062 0.4107 ( 16086 PWs) bands (ev): -14.0128 -14.0128 -14.0128 -14.0128 -6.2373 -6.2373 -6.2373 -6.2373 -2.8978 -2.8978 -2.8978 -2.8978 -1.6395 -1.6395 -1.6395 -1.6395 -1.2710 -1.2710 -1.2710 -1.2710 0.8449 0.8449 0.8449 0.8449 1.8055 1.8055 1.8055 1.8055 2.0507 2.0507 2.0507 2.0507 2.8582 2.8582 2.8582 2.8582 3.5523 3.5523 3.5523 3.5523 3.7313 3.7313 3.7313 3.7313 4.7988 4.7988 4.7988 4.7988 5.3546 5.3546 5.3546 5.3546 9.0579 9.0579 9.0579 9.0579 9.2714 9.2714 9.2714 9.2714 10.1988 10.1988 k =-0.2632 0.2170 0.4107 ( 16096 PWs) bands (ev): -14.0125 -14.0125 -14.0125 -14.0125 -6.2372 -6.2372 -6.2372 -6.2372 -2.9009 -2.9009 -2.9009 -2.9009 -1.6453 -1.6453 -1.6453 -1.6453 -1.2713 -1.2713 -1.2713 -1.2713 0.8457 0.8457 0.8457 0.8457 1.8057 1.8057 1.8057 1.8057 2.0529 2.0529 2.0529 2.0529 2.8603 2.8603 2.8603 2.8603 3.5572 3.5572 3.5572 3.5572 3.7349 3.7349 3.7349 3.7349 4.7996 4.7996 4.7996 4.7996 5.3475 5.3475 5.3475 5.3475 9.0845 9.0845 9.0845 9.0845 9.2280 9.2280 9.2280 9.2280 10.2529 10.2529 k =-0.2763 0.2279 0.4107 ( 16106 PWs) bands (ev): -14.0121 -14.0121 -14.0121 -14.0121 -6.2370 -6.2370 -6.2370 -6.2370 -2.9041 -2.9041 -2.9041 -2.9041 -1.6512 -1.6512 -1.6512 -1.6512 -1.2720 -1.2720 -1.2720 -1.2720 0.8470 0.8470 0.8470 0.8470 1.8063 1.8063 1.8063 1.8063 2.0550 2.0550 2.0550 2.0550 2.8626 2.8626 2.8626 2.8626 3.5631 3.5631 3.5631 3.5631 3.7385 3.7385 3.7385 3.7385 4.8001 4.8001 4.8001 4.8001 5.3406 5.3406 5.3406 5.3406 9.0796 9.0796 9.0796 9.0796 9.2096 9.2096 9.2096 9.2096 10.3136 10.3136 k =-0.2895 0.2387 0.4107 ( 16096 PWs) bands (ev): -14.0117 -14.0117 -14.0117 -14.0117 -6.2367 -6.2367 -6.2367 -6.2367 -2.9075 -2.9075 -2.9075 -2.9075 -1.6571 -1.6571 -1.6571 -1.6571 -1.2730 -1.2730 -1.2730 -1.2730 0.8487 0.8487 0.8487 0.8487 1.8074 1.8074 1.8074 1.8074 2.0572 2.0572 2.0572 2.0572 2.8649 2.8649 2.8649 2.8649 3.5699 3.5699 3.5699 3.5699 3.7421 3.7421 3.7421 3.7421 4.8002 4.8002 4.8002 4.8002 5.3339 5.3339 5.3339 5.3339 9.0350 9.0350 9.0350 9.0350 9.2274 9.2274 9.2274 9.2274 10.3760 10.3760 k =-0.3026 0.2496 0.4107 ( 16112 PWs) bands (ev): -14.0114 -14.0114 -14.0114 -14.0114 -6.2363 -6.2363 -6.2363 -6.2363 -2.9109 -2.9109 -2.9109 -2.9109 -1.6631 -1.6631 -1.6631 -1.6631 -1.2743 -1.2743 -1.2743 -1.2743 0.8508 0.8508 0.8508 0.8508 1.8089 1.8089 1.8089 1.8089 2.0593 2.0593 2.0593 2.0593 2.8673 2.8673 2.8673 2.8673 3.5776 3.5776 3.5776 3.5776 3.7456 3.7456 3.7456 3.7456 4.7998 4.7998 4.7998 4.7998 5.3275 5.3275 5.3275 5.3275 8.9751 8.9751 8.9751 8.9751 9.2591 9.2591 9.2591 9.2591 10.4361 10.4361 k =-0.3158 0.2605 0.4107 ( 16120 PWs) bands (ev): -14.0110 -14.0110 -14.0110 -14.0110 -6.2359 -6.2359 -6.2359 -6.2359 -2.9144 -2.9144 -2.9144 -2.9144 -1.6690 -1.6690 -1.6690 -1.6690 -1.2758 -1.2758 -1.2758 -1.2758 0.8532 0.8532 0.8532 0.8532 1.8108 1.8108 1.8108 1.8108 2.0613 2.0613 2.0613 2.0613 2.8697 2.8697 2.8697 2.8697 3.5861 3.5861 3.5861 3.5861 3.7491 3.7491 3.7491 3.7491 4.7989 4.7989 4.7989 4.7989 5.3215 5.3215 5.3215 5.3215 8.9121 8.9121 8.9121 8.9121 9.2938 9.2938 9.2938 9.2938 10.4902 10.4902 k =-0.3289 0.2713 0.4107 ( 16112 PWs) bands (ev): -14.0107 -14.0107 -14.0107 -14.0107 -6.2354 -6.2354 -6.2354 -6.2354 -2.9179 -2.9179 -2.9179 -2.9179 -1.6748 -1.6748 -1.6748 -1.6748 -1.2776 -1.2776 -1.2776 -1.2776 0.8558 0.8558 0.8558 0.8558 1.8130 1.8130 1.8130 1.8130 2.0633 2.0633 2.0633 2.0633 2.8722 2.8722 2.8722 2.8722 3.5953 3.5953 3.5953 3.5953 3.7525 3.7525 3.7525 3.7525 4.7975 4.7975 4.7975 4.7975 5.3157 5.3157 5.3157 5.3157 8.8501 8.8501 8.8501 8.8501 9.3285 9.3285 9.3285 9.3285 10.5348 10.5348 k =-0.3421 0.2822 0.4107 ( 16118 PWs) bands (ev): -14.0104 -14.0104 -14.0104 -14.0104 -6.2349 -6.2349 -6.2349 -6.2349 -2.9214 -2.9214 -2.9214 -2.9214 -1.6805 -1.6805 -1.6805 -1.6805 -1.2794 -1.2794 -1.2794 -1.2794 0.8587 0.8587 0.8587 0.8587 1.8155 1.8155 1.8155 1.8155 2.0652 2.0652 2.0652 2.0652 2.8747 2.8747 2.8747 2.8747 3.6052 3.6052 3.6052 3.6052 3.7558 3.7558 3.7558 3.7558 4.7953 4.7953 4.7953 4.7953 5.3104 5.3104 5.3104 5.3104 8.7909 8.7909 8.7909 8.7909 9.3618 9.3618 9.3618 9.3618 10.5674 10.5674 k =-0.3553 0.2930 0.4107 ( 16122 PWs) bands (ev): -14.0101 -14.0101 -14.0101 -14.0101 -6.2344 -6.2344 -6.2344 -6.2344 -2.9248 -2.9248 -2.9248 -2.9248 -1.6860 -1.6860 -1.6860 -1.6860 -1.2814 -1.2814 -1.2814 -1.2814 0.8616 0.8616 0.8616 0.8616 1.8182 1.8182 1.8182 1.8182 2.0670 2.0670 2.0670 2.0670 2.8772 2.8772 2.8772 2.8772 3.6155 3.6155 3.6155 3.6155 3.7589 3.7589 3.7589 3.7589 4.7926 4.7926 4.7926 4.7926 5.3054 5.3054 5.3054 5.3054 8.7356 8.7356 8.7356 8.7356 9.3933 9.3933 9.3933 9.3933 10.5864 10.5864 k =-0.3684 0.3039 0.4107 ( 16102 PWs) bands (ev): -14.0098 -14.0098 -14.0098 -14.0098 -6.2338 -6.2338 -6.2338 -6.2338 -2.9281 -2.9281 -2.9281 -2.9281 -1.6912 -1.6912 -1.6912 -1.6912 -1.2834 -1.2834 -1.2834 -1.2834 0.8645 0.8645 0.8645 0.8645 1.8211 1.8211 1.8211 1.8211 2.0687 2.0687 2.0687 2.0687 2.8797 2.8797 2.8797 2.8797 3.6260 3.6260 3.6260 3.6260 3.7619 3.7619 3.7619 3.7619 4.7893 4.7893 4.7893 4.7893 5.3007 5.3007 5.3007 5.3007 8.6846 8.6846 8.6846 8.6846 9.4226 9.4226 9.4226 9.4226 10.5916 10.5916 k =-0.3816 0.3147 0.4107 ( 16088 PWs) bands (ev): -14.0095 -14.0095 -14.0095 -14.0095 -6.2332 -6.2332 -6.2332 -6.2332 -2.9312 -2.9312 -2.9312 -2.9312 -1.6961 -1.6961 -1.6961 -1.6961 -1.2853 -1.2853 -1.2853 -1.2853 0.8673 0.8673 0.8673 0.8673 1.8240 1.8240 1.8240 1.8240 2.0703 2.0703 2.0703 2.0703 2.8820 2.8820 2.8820 2.8820 3.6367 3.6367 3.6367 3.6367 3.7648 3.7648 3.7648 3.7648 4.7854 4.7854 4.7854 4.7854 5.2965 5.2965 5.2965 5.2965 8.6385 8.6385 8.6385 8.6385 9.4493 9.4493 9.4493 9.4493 10.5846 10.5846 k =-0.3947 0.3256 0.4107 ( 16094 PWs) bands (ev): -14.0093 -14.0093 -14.0093 -14.0093 -6.2327 -6.2327 -6.2327 -6.2327 -2.9342 -2.9342 -2.9342 -2.9342 -1.7007 -1.7007 -1.7007 -1.7007 -1.2872 -1.2872 -1.2872 -1.2872 0.8700 0.8700 0.8700 0.8700 1.8269 1.8269 1.8269 1.8269 2.0718 2.0718 2.0718 2.0718 2.8843 2.8843 2.8843 2.8843 3.6473 3.6473 3.6473 3.6473 3.7674 3.7674 3.7674 3.7674 4.7811 4.7811 4.7811 4.7811 5.2927 5.2927 5.2927 5.2927 8.5974 8.5974 8.5974 8.5974 9.4733 9.4733 9.4733 9.4733 10.5681 10.5681 k =-0.4079 0.3364 0.4107 ( 16086 PWs) bands (ev): -14.0091 -14.0091 -14.0091 -14.0091 -6.2322 -6.2322 -6.2322 -6.2322 -2.9369 -2.9369 -2.9369 -2.9369 -1.7049 -1.7049 -1.7049 -1.7049 -1.2890 -1.2890 -1.2890 -1.2890 0.8725 0.8725 0.8725 0.8725 1.8296 1.8296 1.8296 1.8296 2.0731 2.0731 2.0731 2.0731 2.8864 2.8864 2.8864 2.8864 3.6575 3.6575 3.6575 3.6575 3.7699 3.7699 3.7699 3.7699 4.7766 4.7766 4.7766 4.7766 5.2894 5.2894 5.2894 5.2894 8.5615 8.5615 8.5615 8.5615 9.4944 9.4944 9.4944 9.4944 10.5453 10.5453 k =-0.4211 0.3473 0.4107 ( 16098 PWs) bands (ev): -14.0089 -14.0089 -14.0089 -14.0089 -6.2317 -6.2317 -6.2317 -6.2317 -2.9393 -2.9393 -2.9393 -2.9393 -1.7086 -1.7086 -1.7086 -1.7086 -1.2906 -1.2906 -1.2906 -1.2906 0.8748 0.8748 0.8748 0.8748 1.8322 1.8322 1.8322 1.8322 2.0743 2.0743 2.0743 2.0743 2.8883 2.8883 2.8883 2.8883 3.6671 3.6671 3.6671 3.6671 3.7721 3.7721 3.7721 3.7721 4.7720 4.7720 4.7720 4.7720 5.2864 5.2864 5.2864 5.2864 8.5306 8.5306 8.5306 8.5306 9.5127 9.5127 9.5127 9.5127 10.5194 10.5194 k =-0.4342 0.3581 0.4107 ( 16092 PWs) bands (ev): -14.0088 -14.0088 -14.0088 -14.0088 -6.2312 -6.2312 -6.2312 -6.2312 -2.9415 -2.9415 -2.9415 -2.9415 -1.7118 -1.7118 -1.7118 -1.7118 -1.2921 -1.2921 -1.2921 -1.2921 0.8768 0.8768 0.8768 0.8768 1.8345 1.8345 1.8345 1.8345 2.0753 2.0753 2.0753 2.0753 2.8899 2.8899 2.8899 2.8899 3.6757 3.6757 3.6757 3.6757 3.7741 3.7741 3.7741 3.7741 4.7675 4.7675 4.7675 4.7675 5.2839 5.2839 5.2839 5.2839 8.5049 8.5049 8.5049 8.5049 9.5281 9.5281 9.5281 9.5281 10.4931 10.4931 k =-0.4474 0.3690 0.4107 ( 16100 PWs) bands (ev): -14.0086 -14.0086 -14.0086 -14.0086 -6.2309 -6.2309 -6.2309 -6.2309 -2.9433 -2.9433 -2.9433 -2.9433 -1.7145 -1.7145 -1.7145 -1.7145 -1.2933 -1.2933 -1.2933 -1.2933 0.8784 0.8784 0.8784 0.8784 1.8366 1.8366 1.8366 1.8366 2.0761 2.0761 2.0761 2.0761 2.8914 2.8914 2.8914 2.8914 3.6832 3.6832 3.6832 3.6832 3.7758 3.7758 3.7758 3.7758 4.7634 4.7634 4.7634 4.7634 5.2819 5.2819 5.2819 5.2819 8.4841 8.4841 8.4841 8.4841 9.5406 9.5406 9.5406 9.5406 10.4688 10.4688 k =-0.4605 0.3798 0.4107 ( 16100 PWs) bands (ev): -14.0085 -14.0085 -14.0085 -14.0085 -6.2306 -6.2306 -6.2306 -6.2306 -2.9447 -2.9447 -2.9447 -2.9447 -1.7166 -1.7166 -1.7166 -1.7166 -1.2942 -1.2942 -1.2942 -1.2942 0.8798 0.8798 0.8798 0.8798 1.8382 1.8382 1.8382 1.8382 2.0768 2.0768 2.0768 2.0768 2.8925 2.8925 2.8925 2.8925 3.6893 3.6893 3.6893 3.6893 3.7772 3.7772 3.7772 3.7772 4.7600 4.7600 4.7600 4.7600 5.2803 5.2803 5.2803 5.2803 8.4681 8.4681 8.4681 8.4681 9.5502 9.5502 9.5502 9.5502 10.4483 10.4483 k =-0.4737 0.3907 0.4107 ( 16088 PWs) bands (ev): -14.0084 -14.0084 -14.0084 -14.0084 -6.2304 -6.2304 -6.2304 -6.2304 -2.9457 -2.9457 -2.9457 -2.9457 -1.7181 -1.7181 -1.7181 -1.7181 -1.2949 -1.2949 -1.2949 -1.2949 0.8807 0.8807 0.8807 0.8807 1.8394 1.8394 1.8394 1.8394 2.0773 2.0773 2.0773 2.0773 2.8933 2.8933 2.8933 2.8933 3.6938 3.6938 3.6938 3.6938 3.7782 3.7782 3.7782 3.7782 4.7573 4.7573 4.7573 4.7573 5.2791 5.2791 5.2791 5.2791 8.4568 8.4568 8.4568 8.4568 9.5570 9.5570 9.5570 9.5570 10.4327 10.4327 k =-0.4868 0.4015 0.4107 ( 16092 PWs) bands (ev): -14.0084 -14.0084 -14.0084 -14.0084 -6.2302 -6.2302 -6.2302 -6.2302 -2.9463 -2.9463 -2.9463 -2.9463 -1.7190 -1.7190 -1.7190 -1.7190 -1.2954 -1.2954 -1.2954 -1.2954 0.8813 0.8813 0.8813 0.8813 1.8401 1.8401 1.8401 1.8401 2.0776 2.0776 2.0776 2.0776 2.8938 2.8938 2.8938 2.8938 3.6966 3.6966 3.6966 3.6966 3.7789 3.7789 3.7789 3.7789 4.7557 4.7557 4.7557 4.7557 5.2785 5.2785 5.2785 5.2785 8.4501 8.4501 8.4501 8.4501 9.5611 9.5611 9.5611 9.5611 10.4230 10.4230 k =-0.5000 0.4124 0.4107 ( 16092 PWs) bands (ev): -14.0084 -14.0084 -14.0084 -14.0084 -6.2302 -6.2302 -6.2302 -6.2302 -2.9466 -2.9466 -2.9466 -2.9466 -1.7194 -1.7194 -1.7194 -1.7194 -1.2955 -1.2955 -1.2955 -1.2955 0.8815 0.8815 0.8815 0.8815 1.8404 1.8404 1.8404 1.8404 2.0777 2.0777 2.0777 2.0777 2.8940 2.8940 2.8940 2.8940 3.6975 3.6975 3.6975 3.6975 3.7791 3.7791 3.7791 3.7791 4.7551 4.7551 4.7551 4.7551 5.2782 5.2782 5.2782 5.2782 8.4479 8.4479 8.4479 8.4479 9.5624 9.5624 9.5624 9.5624 10.4197 10.4197 Writing output data file CsAuS.save init_run : 0.76s CPU 0.99s WALL ( 1 calls) electrons : 553.48s CPU 561.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 553.48s CPU 561.71s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.31s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.46s CPU 0.48s WALL ( 326 calls) cegterg : 506.36s CPU 513.15s WALL ( 595 calls) Called by sum_band: Called by *egterg: h_psi : 322.45s CPU 325.54s WALL ( 8517 calls) s_psi : 26.94s CPU 26.90s WALL ( 8517 calls) g_psi : 1.44s CPU 1.50s WALL ( 7596 calls) cdiaghg : 87.56s CPU 88.60s WALL ( 7922 calls) cegterg:over : 34.87s CPU 35.08s WALL ( 7596 calls) cegterg:upda : 34.88s CPU 34.99s WALL ( 7596 calls) cegterg:last : 18.18s CPU 18.08s WALL ( 1576 calls) cdiaghg:chol : 5.16s CPU 5.23s WALL ( 7922 calls) cdiaghg:inve : 3.88s CPU 3.81s WALL ( 7922 calls) cdiaghg:para : 6.50s CPU 6.43s WALL ( 15844 calls) Called by h_psi: h_psi:vloc : 251.35s CPU 254.01s WALL ( 8517 calls) h_psi:vnl : 69.58s CPU 70.02s WALL ( 8517 calls) add_vuspsi : 39.56s CPU 39.87s WALL ( 8517 calls) General routines calbec : 29.97s CPU 30.12s WALL ( 8517 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 233.56s CPU 235.82s WALL ( 1251144 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.49s WALL ( 652 calls) Parallel routines fft_scatter : 81.51s CPU 82.71s WALL ( 1251167 calls) PWSCF : 10m 1.63s CPU 10m30.81s WALL This run was terminated on: 13:43: 1 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=