Program PWSCF v.5.4.0 starts on 4Aug2017 at 0:29:44 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./H4CN.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 55 15 3158 1326 203 Max 99 56 16 3162 1341 208 Sum 3531 2007 569 113779 47985 7405 bravais-lattice index = 14 lattice parameter (alat) = 14.5584 a.u. unit-cell volume = 1140.1026 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.558449 celldm(2)= 0.642394 celldm(3)= 0.643821 celldm(4)= 0.449319 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.642394 0.000000 ) a(3) = ( 0.000000 0.289281 0.575172 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.556678 -0.782928 ) b(3) = ( 0.000000 0.000000 1.738612 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.1446406 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2875858 ) 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.1446406 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2875858 ) 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 [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0241474), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0482948), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0724422), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0965895), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.1207369), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1448843), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1690317), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1931791), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.2173264), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.2414738), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2656212), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2897686), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.3139160), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.3380633), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.3622107), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3863581), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.4105055), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.4346529), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.4588003), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.4829477), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.5070950), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.5312424), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.5553898), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.5795372), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.6036846), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.6278319), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.6519793), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.6761267), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.7002741), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.7244215), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.7485689), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.7727162), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.7968636), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.8210110), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.8451584), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.8693058), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.8693058), wk = 0.0036765 k( 39) = ( 0.0000000 0.0244550 0.8693058), wk = 0.0036765 k( 40) = ( 0.0000000 0.0489100 0.8693058), wk = 0.0036765 k( 41) = ( 0.0000000 0.0733649 0.8693058), wk = 0.0036765 k( 42) = ( 0.0000000 0.0978199 0.8693058), wk = 0.0036765 k( 43) = ( 0.0000000 0.1222749 0.8693058), wk = 0.0036765 k( 44) = ( 0.0000000 0.1467299 0.8693058), wk = 0.0036765 k( 45) = ( 0.0000000 0.1711849 0.8693058), wk = 0.0036765 k( 46) = ( 0.0000000 0.1956398 0.8693058), wk = 0.0036765 k( 47) = ( 0.0000000 0.2200948 0.8693058), wk = 0.0036765 k( 48) = ( 0.0000000 0.2445498 0.8693058), wk = 0.0036765 k( 49) = ( 0.0000000 0.2690048 0.8693058), wk = 0.0036765 k( 50) = ( 0.0000000 0.2934598 0.8693058), wk = 0.0036765 k( 51) = ( 0.0000000 0.3179147 0.8693058), wk = 0.0036765 k( 52) = ( 0.0000000 0.3423697 0.8693058), wk = 0.0036765 k( 53) = ( 0.0000000 0.3668247 0.8693058), wk = 0.0036765 k( 54) = ( 0.0000000 0.3912797 0.8693058), wk = 0.0036765 k( 55) = ( 0.0000000 0.4157347 0.8693058), wk = 0.0036765 k( 56) = ( 0.0000000 0.4401896 0.8693058), wk = 0.0036765 k( 57) = ( 0.0000000 0.4646446 0.8693058), wk = 0.0036765 k( 58) = ( 0.0000000 0.4890996 0.8693058), wk = 0.0036765 k( 59) = ( 0.0000000 0.5135546 0.8693058), wk = 0.0036765 k( 60) = ( 0.0000000 0.5380096 0.8693058), wk = 0.0036765 k( 61) = ( 0.0000000 0.5380096 0.8693058), wk = 0.0036765 k( 62) = ( 0.0000000 0.5506585 0.8487024), wk = 0.0036765 k( 63) = ( 0.0000000 0.5633074 0.8280991), wk = 0.0036765 k( 64) = ( 0.0000000 0.5759563 0.8074957), wk = 0.0036765 k( 65) = ( 0.0000000 0.5886052 0.7868923), wk = 0.0036765 k( 66) = ( 0.0000000 0.6012542 0.7662890), wk = 0.0036765 k( 67) = ( 0.0000000 0.6139031 0.7456856), wk = 0.0036765 k( 68) = ( 0.0000000 0.6265520 0.7250823), wk = 0.0036765 k( 69) = ( 0.0000000 0.6392009 0.7044789), wk = 0.0036765 k( 70) = ( 0.0000000 0.6518499 0.6838756), wk = 0.0036765 k( 71) = ( 0.0000000 0.6644988 0.6632722), wk = 0.0036765 k( 72) = ( 0.0000000 0.6771477 0.6426689), wk = 0.0036765 k( 73) = ( 0.0000000 0.6897966 0.6220655), wk = 0.0036765 k( 74) = ( 0.0000000 0.7024455 0.6014621), wk = 0.0036765 k( 75) = ( 0.0000000 0.7150944 0.5808588), wk = 0.0036765 k( 76) = ( 0.0000000 0.7277434 0.5602554), wk = 0.0036765 k( 77) = ( 0.0000000 0.7403923 0.5396521), wk = 0.0036765 k( 78) = ( 0.0000000 0.7530412 0.5190487), wk = 0.0036765 k( 79) = ( 0.0000000 0.7656901 0.4984454), wk = 0.0036765 k( 80) = ( 0.0000000 0.7783391 0.4778420), wk = 0.0036765 k( 81) = ( 0.0000000 0.7783391 0.4778420), wk = 0.0036765 k( 82) = ( 0.0238095 0.7783391 0.4778420), wk = 0.0036765 k( 83) = ( 0.0476191 0.7783391 0.4778420), wk = 0.0036765 k( 84) = ( 0.0714286 0.7783391 0.4778420), wk = 0.0036765 k( 85) = ( 0.0952381 0.7783391 0.4778420), wk = 0.0036765 k( 86) = ( 0.1190476 0.7783391 0.4778420), wk = 0.0036765 k( 87) = ( 0.1428571 0.7783391 0.4778420), wk = 0.0036765 k( 88) = ( 0.1666667 0.7783391 0.4778420), wk = 0.0036765 k( 89) = ( 0.1904762 0.7783391 0.4778420), wk = 0.0036765 k( 90) = ( 0.2142857 0.7783391 0.4778420), wk = 0.0036765 k( 91) = ( 0.2380952 0.7783391 0.4778420), wk = 0.0036765 k( 92) = ( 0.2619048 0.7783391 0.4778420), wk = 0.0036765 k( 93) = ( 0.2857143 0.7783391 0.4778420), wk = 0.0036765 k( 94) = ( 0.3095238 0.7783391 0.4778420), wk = 0.0036765 k( 95) = ( 0.3333333 0.7783391 0.4778420), wk = 0.0036765 k( 96) = ( 0.3571429 0.7783391 0.4778420), wk = 0.0036765 k( 97) = ( 0.3809524 0.7783391 0.4778420), wk = 0.0036765 k( 98) = ( 0.4047619 0.7783391 0.4778420), wk = 0.0036765 k( 99) = ( 0.4285714 0.7783391 0.4778420), wk = 0.0036765 k( 100) = ( 0.4523810 0.7783391 0.4778420), wk = 0.0036765 k( 101) = ( 0.4761905 0.7783391 0.4778420), wk = 0.0036765 k( 102) = ( 0.5000000 0.7783391 0.4778420), wk = 0.0036765 k( 103) = ( 0.5000000 0.7783391 0.4778420), wk = 0.0036765 k( 104) = ( 0.5000000 0.7909880 0.4572386), wk = 0.0036765 k( 105) = ( 0.5000000 0.8036369 0.4366353), wk = 0.0036765 k( 106) = ( 0.5000000 0.8162858 0.4160319), wk = 0.0036765 k( 107) = ( 0.5000000 0.8289347 0.3954286), wk = 0.0036765 k( 108) = ( 0.5000000 0.8415837 0.3748252), wk = 0.0036765 k( 109) = ( 0.5000000 0.8542326 0.3542219), wk = 0.0036765 k( 110) = ( 0.5000000 0.8668815 0.3336185), wk = 0.0036765 k( 111) = ( 0.5000000 0.8795304 0.3130152), wk = 0.0036765 k( 112) = ( 0.5000000 0.8921793 0.2924118), wk = 0.0036765 k( 113) = ( 0.5000000 0.9048283 0.2718084), wk = 0.0036765 k( 114) = ( 0.5000000 0.9174772 0.2512051), wk = 0.0036765 k( 115) = ( 0.5000000 0.9301261 0.2306017), wk = 0.0036765 k( 116) = ( 0.5000000 0.9427750 0.2099984), wk = 0.0036765 k( 117) = ( 0.5000000 0.9554239 0.1893950), wk = 0.0036765 k( 118) = ( 0.5000000 0.9680729 0.1687917), wk = 0.0036765 k( 119) = ( 0.5000000 0.9807218 0.1481883), wk = 0.0036765 k( 120) = ( 0.5000000 0.9933707 0.1275850), wk = 0.0036765 k( 121) = ( 0.5000000 1.0060196 0.1069816), wk = 0.0036765 k( 122) = ( 0.5000000 1.0186686 0.0863782), wk = 0.0036765 k( 123) = ( 0.5000000 1.0186686 0.0863782), wk = 0.0036765 k( 124) = ( 0.5000000 1.0077445 0.0646582), wk = 0.0036765 k( 125) = ( 0.5000000 0.9968204 0.0429381), wk = 0.0036765 k( 126) = ( 0.5000000 0.9858964 0.0212180), wk = 0.0036765 k( 127) = ( 0.5000000 0.9749723 -0.0005021), wk = 0.0036765 k( 128) = ( 0.5000000 0.9640482 -0.0222222), wk = 0.0036765 k( 129) = ( 0.5000000 0.9531241 -0.0439423), wk = 0.0036765 k( 130) = ( 0.5000000 0.9422001 -0.0656624), wk = 0.0036765 k( 131) = ( 0.5000000 0.9312760 -0.0873825), wk = 0.0036765 k( 132) = ( 0.5000000 0.9203519 -0.1091026), wk = 0.0036765 k( 133) = ( 0.5000000 0.9094279 -0.1308227), wk = 0.0036765 k( 134) = ( 0.5000000 0.8985038 -0.1525428), wk = 0.0036765 k( 135) = ( 0.5000000 0.8875797 -0.1742629), wk = 0.0036765 k( 136) = ( 0.5000000 0.8766557 -0.1959830), wk = 0.0036765 k( 137) = ( 0.5000000 0.8657316 -0.2177030), wk = 0.0036765 k( 138) = ( 0.5000000 0.8548075 -0.2394231), wk = 0.0036765 k( 139) = ( 0.5000000 0.8438835 -0.2611432), wk = 0.0036765 k( 140) = ( 0.5000000 0.8329594 -0.2828633), wk = 0.0036765 k( 141) = ( 0.5000000 0.8220353 -0.3045834), wk = 0.0036765 k( 142) = ( 0.5000000 0.8111113 -0.3263035), wk = 0.0036765 k( 143) = ( 0.5000000 0.8001872 -0.3480236), wk = 0.0036765 k( 144) = ( 0.5000000 0.7892631 -0.3697437), wk = 0.0036765 k( 145) = ( 0.5000000 0.7783391 -0.3914638), wk = 0.0036765 k( 146) = ( 0.5000000 0.7783391 -0.3914638), wk = 0.0036765 k( 147) = ( 0.4761905 0.7783391 -0.3914638), wk = 0.0036765 k( 148) = ( 0.4523810 0.7783391 -0.3914638), wk = 0.0036765 k( 149) = ( 0.4285714 0.7783391 -0.3914638), wk = 0.0036765 k( 150) = ( 0.4047619 0.7783391 -0.3914638), wk = 0.0036765 k( 151) = ( 0.3809524 0.7783391 -0.3914638), wk = 0.0036765 k( 152) = ( 0.3571429 0.7783391 -0.3914638), wk = 0.0036765 k( 153) = ( 0.3333333 0.7783391 -0.3914638), wk = 0.0036765 k( 154) = ( 0.3095238 0.7783391 -0.3914638), wk = 0.0036765 k( 155) = ( 0.2857143 0.7783391 -0.3914638), wk = 0.0036765 k( 156) = ( 0.2619048 0.7783391 -0.3914638), wk = 0.0036765 k( 157) = ( 0.2380952 0.7783391 -0.3914638), wk = 0.0036765 k( 158) = ( 0.2142857 0.7783391 -0.3914638), wk = 0.0036765 k( 159) = ( 0.1904762 0.7783391 -0.3914638), wk = 0.0036765 k( 160) = ( 0.1666667 0.7783391 -0.3914638), wk = 0.0036765 k( 161) = ( 0.1428571 0.7783391 -0.3914638), wk = 0.0036765 k( 162) = ( 0.1190476 0.7783391 -0.3914638), wk = 0.0036765 k( 163) = ( 0.0952381 0.7783391 -0.3914638), wk = 0.0036765 k( 164) = ( 0.0714286 0.7783391 -0.3914638), wk = 0.0036765 k( 165) = ( 0.0476191 0.7783391 -0.3914638), wk = 0.0036765 k( 166) = ( 0.0238095 0.7783391 -0.3914638), wk = 0.0036765 k( 167) = ( 0.0000000 0.7783391 -0.3914638), wk = 0.0036765 k( 168) = ( 0.0000000 0.7783391 -0.3914638), wk = 0.0036765 k( 169) = ( 0.0000000 0.7892631 -0.3697437), wk = 0.0036765 k( 170) = ( 0.0000000 0.8001872 -0.3480236), wk = 0.0036765 k( 171) = ( 0.0000000 0.8111113 -0.3263035), wk = 0.0036765 k( 172) = ( 0.0000000 0.8220353 -0.3045834), wk = 0.0036765 k( 173) = ( 0.0000000 0.8329594 -0.2828633), wk = 0.0036765 k( 174) = ( 0.0000000 0.8438835 -0.2611432), wk = 0.0036765 k( 175) = ( 0.0000000 0.8548075 -0.2394231), wk = 0.0036765 k( 176) = ( 0.0000000 0.8657316 -0.2177030), wk = 0.0036765 k( 177) = ( 0.0000000 0.8766557 -0.1959830), wk = 0.0036765 k( 178) = ( 0.0000000 0.8875797 -0.1742629), wk = 0.0036765 k( 179) = ( 0.0000000 0.8985038 -0.1525428), wk = 0.0036765 k( 180) = ( 0.0000000 0.9094279 -0.1308227), wk = 0.0036765 k( 181) = ( 0.0000000 0.9203519 -0.1091026), wk = 0.0036765 k( 182) = ( 0.0000000 0.9312760 -0.0873825), wk = 0.0036765 k( 183) = ( 0.0000000 0.9422001 -0.0656624), wk = 0.0036765 k( 184) = ( 0.0000000 0.9531241 -0.0439423), wk = 0.0036765 k( 185) = ( 0.0000000 0.9640482 -0.0222222), wk = 0.0036765 k( 186) = ( 0.0000000 0.9749723 -0.0005021), wk = 0.0036765 k( 187) = ( 0.0000000 0.9858964 0.0212180), wk = 0.0036765 k( 188) = ( 0.0000000 0.9968204 0.0429381), wk = 0.0036765 k( 189) = ( 0.0000000 1.0077445 0.0646582), wk = 0.0036765 k( 190) = ( 0.0000000 1.0186686 0.0863782), wk = 0.0036765 k( 191) = ( 0.5000000 0.5380096 0.8693058), wk = 0.0036765 k( 192) = ( 0.5000000 0.5135546 0.8693058), wk = 0.0036765 k( 193) = ( 0.5000000 0.4890996 0.8693058), wk = 0.0036765 k( 194) = ( 0.5000000 0.4646446 0.8693058), wk = 0.0036765 k( 195) = ( 0.5000000 0.4401896 0.8693058), wk = 0.0036765 k( 196) = ( 0.5000000 0.4157347 0.8693058), wk = 0.0036765 k( 197) = ( 0.5000000 0.3912797 0.8693058), wk = 0.0036765 k( 198) = ( 0.5000000 0.3668247 0.8693058), wk = 0.0036765 k( 199) = ( 0.5000000 0.3423697 0.8693058), wk = 0.0036765 k( 200) = ( 0.5000000 0.3179147 0.8693058), wk = 0.0036765 k( 201) = ( 0.5000000 0.2934598 0.8693058), wk = 0.0036765 k( 202) = ( 0.5000000 0.2690048 0.8693058), wk = 0.0036765 k( 203) = ( 0.5000000 0.2445498 0.8693058), wk = 0.0036765 k( 204) = ( 0.5000000 0.2200948 0.8693058), wk = 0.0036765 k( 205) = ( 0.5000000 0.1956398 0.8693058), wk = 0.0036765 k( 206) = ( 0.5000000 0.1711849 0.8693058), wk = 0.0036765 k( 207) = ( 0.5000000 0.1467299 0.8693058), wk = 0.0036765 k( 208) = ( 0.5000000 0.1222749 0.8693058), wk = 0.0036765 k( 209) = ( 0.5000000 0.0978199 0.8693058), wk = 0.0036765 k( 210) = ( 0.5000000 0.0733649 0.8693058), wk = 0.0036765 k( 211) = ( 0.5000000 0.0489100 0.8693058), wk = 0.0036765 k( 212) = ( 0.5000000 0.0244550 0.8693058), wk = 0.0036765 k( 213) = ( 0.5000000 -0.0000000 0.8693058), wk = 0.0036765 k( 214) = ( 0.5000000 -0.0000000 0.8693058), wk = 0.0036765 k( 215) = ( 0.5000000 -0.0000000 0.8451584), wk = 0.0036765 k( 216) = ( 0.5000000 -0.0000000 0.8210110), wk = 0.0036765 k( 217) = ( 0.5000000 -0.0000000 0.7968636), wk = 0.0036765 k( 218) = ( 0.5000000 -0.0000000 0.7727162), wk = 0.0036765 k( 219) = ( 0.5000000 -0.0000000 0.7485689), wk = 0.0036765 k( 220) = ( 0.5000000 -0.0000000 0.7244215), wk = 0.0036765 k( 221) = ( 0.5000000 -0.0000000 0.7002741), wk = 0.0036765 k( 222) = ( 0.5000000 -0.0000000 0.6761267), wk = 0.0036765 k( 223) = ( 0.5000000 -0.0000000 0.6519793), wk = 0.0036765 k( 224) = ( 0.5000000 -0.0000000 0.6278319), wk = 0.0036765 k( 225) = ( 0.5000000 -0.0000000 0.6036846), wk = 0.0036765 k( 226) = ( 0.5000000 -0.0000000 0.5795372), wk = 0.0036765 k( 227) = ( 0.5000000 -0.0000000 0.5553898), wk = 0.0036765 k( 228) = ( 0.5000000 -0.0000000 0.5312424), wk = 0.0036765 k( 229) = ( 0.5000000 -0.0000000 0.5070950), wk = 0.0036765 k( 230) = ( 0.5000000 -0.0000000 0.4829477), wk = 0.0036765 k( 231) = ( 0.5000000 -0.0000000 0.4588003), wk = 0.0036765 k( 232) = ( 0.5000000 -0.0000000 0.4346529), wk = 0.0036765 k( 233) = ( 0.5000000 -0.0000000 0.4105055), wk = 0.0036765 k( 234) = ( 0.5000000 -0.0000000 0.3863581), wk = 0.0036765 k( 235) = ( 0.5000000 -0.0000000 0.3622107), wk = 0.0036765 k( 236) = ( 0.5000000 -0.0000000 0.3380633), wk = 0.0036765 k( 237) = ( 0.5000000 -0.0000000 0.3139160), wk = 0.0036765 k( 238) = ( 0.5000000 -0.0000000 0.2897686), wk = 0.0036765 k( 239) = ( 0.5000000 -0.0000000 0.2656212), wk = 0.0036765 k( 240) = ( 0.5000000 -0.0000000 0.2414738), wk = 0.0036765 k( 241) = ( 0.5000000 -0.0000000 0.2173264), wk = 0.0036765 k( 242) = ( 0.5000000 -0.0000000 0.1931791), wk = 0.0036765 k( 243) = ( 0.5000000 -0.0000000 0.1690317), wk = 0.0036765 k( 244) = ( 0.5000000 -0.0000000 0.1448843), wk = 0.0036765 k( 245) = ( 0.5000000 -0.0000000 0.1207369), wk = 0.0036765 k( 246) = ( 0.5000000 -0.0000000 0.0965895), wk = 0.0036765 k( 247) = ( 0.5000000 -0.0000000 0.0724422), wk = 0.0036765 k( 248) = ( 0.5000000 -0.0000000 0.0482948), wk = 0.0036765 k( 249) = ( 0.5000000 -0.0000000 0.0241474), wk = 0.0036765 k( 250) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036765 k( 251) = ( 0.0000000 0.0000000 0.8693058), wk = 0.0036765 k( 252) = ( 0.0238095 -0.0000000 0.8693058), wk = 0.0036765 k( 253) = ( 0.0476191 -0.0000000 0.8693058), wk = 0.0036765 k( 254) = ( 0.0714286 -0.0000000 0.8693058), wk = 0.0036765 k( 255) = ( 0.0952381 -0.0000000 0.8693058), wk = 0.0036765 k( 256) = ( 0.1190476 -0.0000000 0.8693058), wk = 0.0036765 k( 257) = ( 0.1428571 -0.0000000 0.8693058), wk = 0.0036765 k( 258) = ( 0.1666667 -0.0000000 0.8693058), wk = 0.0036765 k( 259) = ( 0.1904762 -0.0000000 0.8693058), wk = 0.0036765 k( 260) = ( 0.2142857 -0.0000000 0.8693058), wk = 0.0036765 k( 261) = ( 0.2380952 -0.0000000 0.8693058), wk = 0.0036765 k( 262) = ( 0.2619048 -0.0000000 0.8693058), wk = 0.0036765 k( 263) = ( 0.2857143 -0.0000000 0.8693058), wk = 0.0036765 k( 264) = ( 0.3095238 -0.0000000 0.8693058), wk = 0.0036765 k( 265) = ( 0.3333333 -0.0000000 0.8693058), wk = 0.0036765 k( 266) = ( 0.3571429 -0.0000000 0.8693058), wk = 0.0036765 k( 267) = ( 0.3809524 -0.0000000 0.8693058), wk = 0.0036765 k( 268) = ( 0.4047619 -0.0000000 0.8693058), wk = 0.0036765 k( 269) = ( 0.4285714 -0.0000000 0.8693058), wk = 0.0036765 k( 270) = ( 0.4523810 -0.0000000 0.8693058), wk = 0.0036765 k( 271) = ( 0.4761905 -0.0000000 0.8693058), wk = 0.0036765 k( 272) = ( 0.5000000 -0.0000000 0.8693058), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 39) = ( 0.0000000 0.0157097 0.5070744), wk = 0.0036765 k( 40) = ( 0.0000000 0.0314194 0.5141487), wk = 0.0036765 k( 41) = ( 0.0000000 0.0471292 0.5212231), wk = 0.0036765 k( 42) = ( 0.0000000 0.0628389 0.5282975), wk = 0.0036765 k( 43) = ( 0.0000000 0.0785486 0.5353718), wk = 0.0036765 k( 44) = ( 0.0000000 0.0942583 0.5424462), wk = 0.0036765 k( 45) = ( 0.0000000 0.1099680 0.5495206), wk = 0.0036765 k( 46) = ( 0.0000000 0.1256778 0.5565949), wk = 0.0036765 k( 47) = ( 0.0000000 0.1413875 0.5636693), wk = 0.0036765 k( 48) = ( 0.0000000 0.1570972 0.5707437), wk = 0.0036765 k( 49) = ( 0.0000000 0.1728069 0.5778180), wk = 0.0036765 k( 50) = ( 0.0000000 0.1885167 0.5848924), wk = 0.0036765 k( 51) = ( 0.0000000 0.2042264 0.5919667), wk = 0.0036765 k( 52) = ( 0.0000000 0.2199361 0.5990411), wk = 0.0036765 k( 53) = ( 0.0000000 0.2356458 0.6061155), wk = 0.0036765 k( 54) = ( 0.0000000 0.2513555 0.6131898), wk = 0.0036765 k( 55) = ( 0.0000000 0.2670653 0.6202642), wk = 0.0036765 k( 56) = ( 0.0000000 0.2827750 0.6273386), wk = 0.0036765 k( 57) = ( 0.0000000 0.2984847 0.6344129), wk = 0.0036765 k( 58) = ( 0.0000000 0.3141944 0.6414873), wk = 0.0036765 k( 59) = ( 0.0000000 0.3299042 0.6485617), wk = 0.0036765 k( 60) = ( 0.0000000 0.3456139 0.6556360), wk = 0.0036765 k( 61) = ( 0.0000000 0.3456139 0.6556360), wk = 0.0036765 k( 62) = ( 0.0000000 0.3537395 0.6474447), wk = 0.0036765 k( 63) = ( 0.0000000 0.3618651 0.6392533), wk = 0.0036765 k( 64) = ( 0.0000000 0.3699906 0.6310619), wk = 0.0036765 k( 65) = ( 0.0000000 0.3781162 0.6228706), wk = 0.0036765 k( 66) = ( 0.0000000 0.3862418 0.6146792), wk = 0.0036765 k( 67) = ( 0.0000000 0.3943674 0.6064878), wk = 0.0036765 k( 68) = ( 0.0000000 0.4024930 0.5982964), wk = 0.0036765 k( 69) = ( 0.0000000 0.4106186 0.5901051), wk = 0.0036765 k( 70) = ( 0.0000000 0.4187441 0.5819137), wk = 0.0036765 k( 71) = ( 0.0000000 0.4268697 0.5737223), wk = 0.0036765 k( 72) = ( 0.0000000 0.4349953 0.5655310), wk = 0.0036765 k( 73) = ( 0.0000000 0.4431209 0.5573396), wk = 0.0036765 k( 74) = ( 0.0000000 0.4512465 0.5491482), wk = 0.0036765 k( 75) = ( 0.0000000 0.4593721 0.5409568), wk = 0.0036765 k( 76) = ( 0.0000000 0.4674977 0.5327655), wk = 0.0036765 k( 77) = ( 0.0000000 0.4756232 0.5245741), wk = 0.0036765 k( 78) = ( 0.0000000 0.4837488 0.5163827), wk = 0.0036765 k( 79) = ( 0.0000000 0.4918744 0.5081914), wk = 0.0036765 k( 80) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 81) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 82) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0036765 k( 83) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0036765 k( 84) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0036765 k( 85) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0036765 k( 86) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0036765 k( 87) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0036765 k( 88) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0036765 k( 89) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0036765 k( 90) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0036765 k( 91) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0036765 k( 92) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0036765 k( 93) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0036765 k( 94) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0036765 k( 95) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0036765 k( 96) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0036765 k( 97) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0036765 k( 98) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0036765 k( 99) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0036765 k( 100) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0036765 k( 101) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0036765 k( 102) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 103) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 104) = ( 0.5000000 0.5081256 0.4918086), wk = 0.0036765 k( 105) = ( 0.5000000 0.5162512 0.4836173), wk = 0.0036765 k( 106) = ( 0.5000000 0.5243768 0.4754259), wk = 0.0036765 k( 107) = ( 0.5000000 0.5325023 0.4672345), wk = 0.0036765 k( 108) = ( 0.5000000 0.5406279 0.4590431), wk = 0.0036765 k( 109) = ( 0.5000000 0.5487535 0.4508518), wk = 0.0036765 k( 110) = ( 0.5000000 0.5568791 0.4426604), wk = 0.0036765 k( 111) = ( 0.5000000 0.5650047 0.4344690), wk = 0.0036765 k( 112) = ( 0.5000000 0.5731303 0.4262777), wk = 0.0036765 k( 113) = ( 0.5000000 0.5812559 0.4180863), wk = 0.0036765 k( 114) = ( 0.5000000 0.5893814 0.4098949), wk = 0.0036765 k( 115) = ( 0.5000000 0.5975070 0.4017036), wk = 0.0036765 k( 116) = ( 0.5000000 0.6056326 0.3935122), wk = 0.0036765 k( 117) = ( 0.5000000 0.6137582 0.3853208), wk = 0.0036765 k( 118) = ( 0.5000000 0.6218838 0.3771294), wk = 0.0036765 k( 119) = ( 0.5000000 0.6300094 0.3689381), wk = 0.0036765 k( 120) = ( 0.5000000 0.6381349 0.3607467), wk = 0.0036765 k( 121) = ( 0.5000000 0.6462605 0.3525553), wk = 0.0036765 k( 122) = ( 0.5000000 0.6543861 0.3443640), wk = 0.0036765 k( 123) = ( 0.5000000 0.6543861 0.3443640), wk = 0.0036765 k( 124) = ( 0.5000000 0.6473686 0.3287111), wk = 0.0036765 k( 125) = ( 0.5000000 0.6403510 0.3130581), wk = 0.0036765 k( 126) = ( 0.5000000 0.6333335 0.2974052), wk = 0.0036765 k( 127) = ( 0.5000000 0.6263159 0.2817523), wk = 0.0036765 k( 128) = ( 0.5000000 0.6192984 0.2660994), wk = 0.0036765 k( 129) = ( 0.5000000 0.6122808 0.2504465), wk = 0.0036765 k( 130) = ( 0.5000000 0.6052633 0.2347936), wk = 0.0036765 k( 131) = ( 0.5000000 0.5982457 0.2191407), wk = 0.0036765 k( 132) = ( 0.5000000 0.5912282 0.2034878), wk = 0.0036765 k( 133) = ( 0.5000000 0.5842106 0.1878349), wk = 0.0036765 k( 134) = ( 0.5000000 0.5771931 0.1721820), wk = 0.0036765 k( 135) = ( 0.5000000 0.5701755 0.1565291), wk = 0.0036765 k( 136) = ( 0.5000000 0.5631580 0.1408762), wk = 0.0036765 k( 137) = ( 0.5000000 0.5561404 0.1252233), wk = 0.0036765 k( 138) = ( 0.5000000 0.5491229 0.1095703), wk = 0.0036765 k( 139) = ( 0.5000000 0.5421053 0.0939174), wk = 0.0036765 k( 140) = ( 0.5000000 0.5350877 0.0782645), wk = 0.0036765 k( 141) = ( 0.5000000 0.5280702 0.0626116), wk = 0.0036765 k( 142) = ( 0.5000000 0.5210527 0.0469587), wk = 0.0036765 k( 143) = ( 0.5000000 0.5140351 0.0313058), wk = 0.0036765 k( 144) = ( 0.5000000 0.5070176 0.0156529), wk = 0.0036765 k( 145) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 146) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 147) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0036765 k( 148) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0036765 k( 149) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0036765 k( 150) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0036765 k( 151) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0036765 k( 152) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0036765 k( 153) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0036765 k( 154) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0036765 k( 155) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0036765 k( 156) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0036765 k( 157) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0036765 k( 158) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0036765 k( 159) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0036765 k( 160) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036765 k( 161) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0036765 k( 162) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0036765 k( 163) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0036765 k( 164) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0036765 k( 165) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0036765 k( 166) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0036765 k( 167) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 168) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 169) = ( 0.0000000 0.5070176 0.0156529), wk = 0.0036765 k( 170) = ( 0.0000000 0.5140351 0.0313058), wk = 0.0036765 k( 171) = ( 0.0000000 0.5210527 0.0469587), wk = 0.0036765 k( 172) = ( 0.0000000 0.5280702 0.0626116), wk = 0.0036765 k( 173) = ( 0.0000000 0.5350877 0.0782645), wk = 0.0036765 k( 174) = ( 0.0000000 0.5421053 0.0939174), wk = 0.0036765 k( 175) = ( 0.0000000 0.5491229 0.1095704), wk = 0.0036765 k( 176) = ( 0.0000000 0.5561404 0.1252233), wk = 0.0036765 k( 177) = ( 0.0000000 0.5631580 0.1408762), wk = 0.0036765 k( 178) = ( 0.0000000 0.5701755 0.1565291), wk = 0.0036765 k( 179) = ( 0.0000000 0.5771931 0.1721820), wk = 0.0036765 k( 180) = ( 0.0000000 0.5842106 0.1878349), wk = 0.0036765 k( 181) = ( 0.0000000 0.5912282 0.2034878), wk = 0.0036765 k( 182) = ( 0.0000000 0.5982457 0.2191407), wk = 0.0036765 k( 183) = ( 0.0000000 0.6052633 0.2347936), wk = 0.0036765 k( 184) = ( 0.0000000 0.6122808 0.2504465), wk = 0.0036765 k( 185) = ( 0.0000000 0.6192984 0.2660994), wk = 0.0036765 k( 186) = ( 0.0000000 0.6263159 0.2817523), wk = 0.0036765 k( 187) = ( 0.0000000 0.6333335 0.2974052), wk = 0.0036765 k( 188) = ( 0.0000000 0.6403510 0.3130581), wk = 0.0036765 k( 189) = ( 0.0000000 0.6473686 0.3287110), wk = 0.0036765 k( 190) = ( 0.0000000 0.6543861 0.3443640), wk = 0.0036765 k( 191) = ( 0.5000000 0.3456139 0.6556360), wk = 0.0036765 k( 192) = ( 0.5000000 0.3299042 0.6485617), wk = 0.0036765 k( 193) = ( 0.5000000 0.3141944 0.6414873), wk = 0.0036765 k( 194) = ( 0.5000000 0.2984847 0.6344129), wk = 0.0036765 k( 195) = ( 0.5000000 0.2827750 0.6273386), wk = 0.0036765 k( 196) = ( 0.5000000 0.2670653 0.6202642), wk = 0.0036765 k( 197) = ( 0.5000000 0.2513555 0.6131899), wk = 0.0036765 k( 198) = ( 0.5000000 0.2356458 0.6061155), wk = 0.0036765 k( 199) = ( 0.5000000 0.2199361 0.5990411), wk = 0.0036765 k( 200) = ( 0.5000000 0.2042264 0.5919667), wk = 0.0036765 k( 201) = ( 0.5000000 0.1885167 0.5848924), wk = 0.0036765 k( 202) = ( 0.5000000 0.1728069 0.5778180), wk = 0.0036765 k( 203) = ( 0.5000000 0.1570972 0.5707437), wk = 0.0036765 k( 204) = ( 0.5000000 0.1413875 0.5636693), wk = 0.0036765 k( 205) = ( 0.5000000 0.1256778 0.5565949), wk = 0.0036765 k( 206) = ( 0.5000000 0.1099680 0.5495206), wk = 0.0036765 k( 207) = ( 0.5000000 0.0942583 0.5424462), wk = 0.0036765 k( 208) = ( 0.5000000 0.0785486 0.5353718), wk = 0.0036765 k( 209) = ( 0.5000000 0.0628389 0.5282975), wk = 0.0036765 k( 210) = ( 0.5000000 0.0471292 0.5212231), wk = 0.0036765 k( 211) = ( 0.5000000 0.0314194 0.5141487), wk = 0.0036765 k( 212) = ( 0.5000000 0.0157097 0.5070744), wk = 0.0036765 k( 213) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 214) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 215) = ( 0.5000000 0.0000000 0.4861111), wk = 0.0036765 k( 216) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0036765 k( 217) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0036765 k( 218) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0036765 k( 219) = ( 0.5000000 0.0000000 0.4305556), wk = 0.0036765 k( 220) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0036765 k( 221) = ( 0.5000000 0.0000000 0.4027778), wk = 0.0036765 k( 222) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0036765 k( 223) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0036765 k( 224) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0036765 k( 225) = ( 0.5000000 0.0000000 0.3472222), wk = 0.0036765 k( 226) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0036765 k( 227) = ( 0.5000000 0.0000000 0.3194444), wk = 0.0036765 k( 228) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0036765 k( 229) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0036765 k( 230) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0036765 k( 231) = ( 0.5000000 0.0000000 0.2638889), wk = 0.0036765 k( 232) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0036765 k( 233) = ( 0.5000000 0.0000000 0.2361111), wk = 0.0036765 k( 234) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0036765 k( 235) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0036765 k( 236) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0036765 k( 237) = ( 0.5000000 0.0000000 0.1805556), wk = 0.0036765 k( 238) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0036765 k( 239) = ( 0.5000000 0.0000000 0.1527778), wk = 0.0036765 k( 240) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0036765 k( 241) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0036765 k( 242) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0036765 k( 243) = ( 0.5000000 0.0000000 0.0972222), wk = 0.0036765 k( 244) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0036765 k( 245) = ( 0.5000000 0.0000000 0.0694444), wk = 0.0036765 k( 246) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0036765 k( 247) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0036765 k( 248) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0036765 k( 249) = ( 0.5000000 0.0000000 0.0138889), wk = 0.0036765 k( 250) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036765 k( 251) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 252) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0036765 k( 253) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0036765 k( 254) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0036765 k( 255) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0036765 k( 256) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0036765 k( 257) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0036765 k( 258) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0036765 k( 259) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0036765 k( 260) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0036765 k( 261) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0036765 k( 262) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0036765 k( 263) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0036765 k( 264) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0036765 k( 265) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0036765 k( 266) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0036765 k( 267) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0036765 k( 268) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0036765 k( 269) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0036765 k( 270) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0036765 k( 271) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0036765 k( 272) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 Dense grid: 113779 G-vectors FFT dimensions: ( 90, 54, 54) Smooth grid: 47985 G-vectors FFT dimensions: ( 64, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 366, 62) NL pseudopotentials 0.40 Mb ( 183, 144) Each V/rho on FFT grid 0.15 Mb ( 9720) Each G-vector array 0.02 Mb ( 3161) G-vector shells 0.02 Mb ( 3122) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.39 Mb ( 366, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.27 Mb ( 144, 2, 62) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./H4CN.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.0 secs Computing kpt #: 10 total cpu time spent up to now is 9.8 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 12.1 secs Computing kpt #: 14 total cpu time spent up to now is 12.8 secs Computing kpt #: 15 total cpu time spent up to now is 13.6 secs Computing kpt #: 16 total cpu time spent up to now is 14.3 secs Computing kpt #: 17 total cpu time spent up to now is 15.1 secs Computing kpt #: 18 total cpu time spent up to now is 15.8 secs Computing kpt #: 19 total cpu time spent up to now is 16.6 secs Computing kpt #: 20 total cpu time spent up to now is 17.4 secs Computing kpt #: 21 total cpu time spent up to now is 18.2 secs Computing kpt #: 22 total cpu time spent up to now is 18.9 secs Computing kpt #: 23 total cpu time spent up to now is 19.7 secs Computing kpt #: 24 total cpu time spent up to now is 20.4 secs Computing kpt #: 25 total cpu time spent up to now is 21.2 secs Computing kpt #: 26 total cpu time spent up to now is 22.0 secs Computing kpt #: 27 total cpu time spent up to now is 22.8 secs Computing kpt #: 28 total cpu time spent up to now is 23.6 secs Computing kpt #: 29 total cpu time spent up to now is 24.3 secs Computing kpt #: 30 total cpu time spent up to now is 25.2 secs Computing kpt #: 31 total cpu time spent up to now is 26.0 secs Computing kpt #: 32 total cpu time spent up to now is 26.8 secs Computing kpt #: 33 total cpu time spent up to now is 27.9 secs Computing kpt #: 34 total cpu time spent up to now is 28.9 secs Computing kpt #: 35 total cpu time spent up to now is 30.0 secs Computing kpt #: 36 total cpu time spent up to now is 30.9 secs Computing kpt #: 37 total cpu time spent up to now is 31.6 secs Computing kpt #: 38 total cpu time spent up to now is 32.4 secs Computing kpt #: 39 total cpu time spent up to now is 33.4 secs Computing kpt #: 40 total cpu time spent up to now is 34.3 secs Computing kpt #: 41 total cpu time spent up to now is 35.3 secs Computing kpt #: 42 total cpu time spent up to now is 36.0 secs Computing kpt #: 43 total cpu time spent up to now is 36.9 secs Computing kpt #: 44 total cpu time spent up to now is 37.7 secs Computing kpt #: 45 total cpu time spent up to now is 38.6 secs Computing kpt #: 46 total cpu time spent up to now is 39.4 secs Computing kpt #: 47 total cpu time spent up to now is 40.3 secs Computing kpt #: 48 total cpu time spent up to now is 41.2 secs Computing kpt #: 49 total cpu time spent up to now is 42.1 secs Computing kpt #: 50 total cpu time spent up to now is 42.9 secs Computing kpt #: 51 total cpu time spent up to now is 43.8 secs Computing kpt #: 52 total cpu time spent up to now is 44.7 secs Computing kpt #: 53 total cpu time spent up to now is 45.6 secs Computing kpt #: 54 total cpu time spent up to now is 46.5 secs Computing kpt #: 55 total cpu time spent up to now is 47.4 secs Computing kpt #: 56 total cpu time spent up to now is 48.2 secs Computing kpt #: 57 total cpu time spent up to now is 49.1 secs Computing kpt #: 58 total cpu time spent up to now is 50.0 secs Computing kpt #: 59 total cpu time spent up to now is 50.9 secs Computing kpt #: 60 total cpu time spent up to now is 51.8 secs Computing kpt #: 61 total cpu time spent up to now is 52.7 secs Computing kpt #: 62 total cpu time spent up to now is 53.6 secs Computing kpt #: 63 total cpu time spent up to now is 54.5 secs Computing kpt #: 64 total cpu time spent up to now is 55.4 secs Computing kpt #: 65 total cpu time spent up to now is 56.2 secs Computing kpt #: 66 total cpu time spent up to now is 57.1 secs Computing kpt #: 67 total cpu time spent up to now is 57.9 secs Computing kpt #: 68 total cpu time spent up to now is 58.7 secs Computing kpt #: 69 total cpu time spent up to now is 59.6 secs Computing kpt #: 70 total cpu time spent up to now is 60.5 secs Computing kpt #: 71 total cpu time spent up to now is 61.4 secs Computing kpt #: 72 total cpu time spent up to now is 62.2 secs Computing kpt #: 73 total cpu time spent up to now is 63.1 secs Computing kpt #: 74 total cpu time spent up to now is 63.9 secs Computing kpt #: 75 total cpu time spent up to now is 64.8 secs Computing kpt #: 76 total cpu time spent up to now is 65.8 secs Computing kpt #: 77 total cpu time spent up to now is 66.6 secs Computing kpt #: 78 total cpu time spent up to now is 67.6 secs Computing kpt #: 79 total cpu time spent up to now is 68.5 secs Computing kpt #: 80 total cpu time spent up to now is 69.3 secs Computing kpt #: 81 total cpu time spent up to now is 70.1 secs Computing kpt #: 82 total cpu time spent up to now is 71.0 secs Computing kpt #: 83 total cpu time spent up to now is 72.0 secs Computing kpt #: 84 total cpu time spent up to now is 72.9 secs Computing kpt #: 85 total cpu time spent up to now is 73.8 secs Computing kpt #: 86 total cpu time spent up to now is 74.8 secs Computing kpt #: 87 total cpu time spent up to now is 75.8 secs Computing kpt #: 88 total cpu time spent up to now is 76.7 secs Computing kpt #: 89 total cpu time spent up to now is 77.7 secs Computing kpt #: 90 total cpu time spent up to now is 78.6 secs Computing kpt #: 91 total cpu time spent up to now is 79.6 secs Computing kpt #: 92 total cpu time spent up to now is 80.5 secs Computing kpt #: 93 total cpu time spent up to now is 81.5 secs Computing kpt #: 94 total cpu time spent up to now is 82.4 secs Computing kpt #: 95 total cpu time spent up to now is 83.4 secs Computing kpt #: 96 total cpu time spent up to now is 84.3 secs Computing kpt #: 97 total cpu time spent up to now is 85.2 secs Computing kpt #: 98 total cpu time spent up to now is 86.2 secs Computing kpt #: 99 total cpu time spent up to now is 87.0 secs Computing kpt #: 100 total cpu time spent up to now is 88.0 secs Computing kpt #: 101 total cpu time spent up to now is 89.0 secs Computing kpt #: 102 total cpu time spent up to now is 89.9 secs Computing kpt #: 103 total cpu time spent up to now is 90.7 secs Computing kpt #: 104 total cpu time spent up to now is 91.7 secs Computing kpt #: 105 total cpu time spent up to now is 92.6 secs Computing kpt #: 106 total cpu time spent up to now is 93.5 secs Computing kpt #: 107 total cpu time spent up to now is 94.4 secs Computing kpt #: 108 total cpu time spent up to now is 95.3 secs Computing kpt #: 109 total cpu time spent up to now is 96.2 secs Computing kpt #: 110 total cpu time spent up to now is 97.1 secs Computing kpt #: 111 total cpu time spent up to now is 98.1 secs Computing kpt #: 112 total cpu time spent up to now is 99.0 secs Computing kpt #: 113 total cpu time spent up to now is 100.0 secs Computing kpt #: 114 total cpu time spent up to now is 100.9 secs Computing kpt #: 115 total cpu time spent up to now is 101.9 secs Computing kpt #: 116 total cpu time spent up to now is 102.8 secs Computing kpt #: 117 total cpu time spent up to now is 103.8 secs Computing kpt #: 118 total cpu time spent up to now is 104.7 secs Computing kpt #: 119 total cpu time spent up to now is 105.7 secs Computing kpt #: 120 total cpu time spent up to now is 106.6 secs Computing kpt #: 121 total cpu time spent up to now is 107.5 secs Computing kpt #: 122 total cpu time spent up to now is 108.3 secs Computing kpt #: 123 total cpu time spent up to now is 109.0 secs Computing kpt #: 124 total cpu time spent up to now is 109.8 secs Computing kpt #: 125 total cpu time spent up to now is 110.6 secs Computing kpt #: 126 total cpu time spent up to now is 111.3 secs Computing kpt #: 127 total cpu time spent up to now is 112.1 secs Computing kpt #: 128 total cpu time spent up to now is 113.0 secs Computing kpt #: 129 total cpu time spent up to now is 113.7 secs Computing kpt #: 130 total cpu time spent up to now is 114.6 secs Computing kpt #: 131 total cpu time spent up to now is 115.5 secs Computing kpt #: 132 total cpu time spent up to now is 116.4 secs Computing kpt #: 133 total cpu time spent up to now is 117.4 secs Computing kpt #: 134 total cpu time spent up to now is 118.3 secs Computing kpt #: 135 total cpu time spent up to now is 119.2 secs Computing kpt #: 136 total cpu time spent up to now is 120.2 secs Computing kpt #: 137 total cpu time spent up to now is 121.1 secs Computing kpt #: 138 total cpu time spent up to now is 122.0 secs Computing kpt #: 139 total cpu time spent up to now is 122.9 secs Computing kpt #: 140 total cpu time spent up to now is 123.7 secs Computing kpt #: 141 total cpu time spent up to now is 124.6 secs Computing kpt #: 142 total cpu time spent up to now is 125.4 secs Computing kpt #: 143 total cpu time spent up to now is 126.3 secs Computing kpt #: 144 total cpu time spent up to now is 127.2 secs Computing kpt #: 145 total cpu time spent up to now is 128.0 secs Computing kpt #: 146 total cpu time spent up to now is 128.9 secs Computing kpt #: 147 total cpu time spent up to now is 129.8 secs Computing kpt #: 148 total cpu time spent up to now is 130.7 secs Computing kpt #: 149 total cpu time spent up to now is 131.6 secs Computing kpt #: 150 total cpu time spent up to now is 132.5 secs Computing kpt #: 151 total cpu time spent up to now is 134.2 secs Computing kpt #: 152 total cpu time spent up to now is 135.2 secs Computing kpt #: 153 total cpu time spent up to now is 136.0 secs Computing kpt #: 154 total cpu time spent up to now is 136.9 secs Computing kpt #: 155 total cpu time spent up to now is 137.8 secs Computing kpt #: 156 total cpu time spent up to now is 138.7 secs Computing kpt #: 157 total cpu time spent up to now is 139.6 secs Computing kpt #: 158 total cpu time spent up to now is 140.5 secs Computing kpt #: 159 total cpu time spent up to now is 141.4 secs Computing kpt #: 160 total cpu time spent up to now is 142.3 secs Computing kpt #: 161 total cpu time spent up to now is 143.3 secs Computing kpt #: 162 total cpu time spent up to now is 144.2 secs Computing kpt #: 163 total cpu time spent up to now is 145.1 secs Computing kpt #: 164 total cpu time spent up to now is 146.0 secs Computing kpt #: 165 total cpu time spent up to now is 147.0 secs Computing kpt #: 166 total cpu time spent up to now is 147.8 secs Computing kpt #: 167 total cpu time spent up to now is 148.7 secs Computing kpt #: 168 total cpu time spent up to now is 149.6 secs Computing kpt #: 169 total cpu time spent up to now is 150.6 secs Computing kpt #: 170 total cpu time spent up to now is 151.5 secs Computing kpt #: 171 total cpu time spent up to now is 152.4 secs Computing kpt #: 172 total cpu time spent up to now is 153.3 secs Computing kpt #: 173 total cpu time spent up to now is 154.2 secs Computing kpt #: 174 total cpu time spent up to now is 155.2 secs Computing kpt #: 175 total cpu time spent up to now is 156.1 secs Computing kpt #: 176 total cpu time spent up to now is 157.0 secs Computing kpt #: 177 total cpu time spent up to now is 158.0 secs Computing kpt #: 178 total cpu time spent up to now is 158.9 secs Computing kpt #: 179 total cpu time spent up to now is 159.8 secs Computing kpt #: 180 total cpu time spent up to now is 160.7 secs Computing kpt #: 181 total cpu time spent up to now is 161.6 secs Computing kpt #: 182 total cpu time spent up to now is 162.5 secs Computing kpt #: 183 total cpu time spent up to now is 163.4 secs Computing kpt #: 184 total cpu time spent up to now is 164.4 secs Computing kpt #: 185 total cpu time spent up to now is 165.2 secs Computing kpt #: 186 total cpu time spent up to now is 166.2 secs Computing kpt #: 187 total cpu time spent up to now is 167.1 secs Computing kpt #: 188 total cpu time spent up to now is 168.0 secs Computing kpt #: 189 total cpu time spent up to now is 168.9 secs Computing kpt #: 190 total cpu time spent up to now is 169.8 secs Computing kpt #: 191 total cpu time spent up to now is 170.5 secs Computing kpt #: 192 total cpu time spent up to now is 171.3 secs Computing kpt #: 193 total cpu time spent up to now is 172.1 secs Computing kpt #: 194 total cpu time spent up to now is 172.8 secs Computing kpt #: 195 total cpu time spent up to now is 173.8 secs Computing kpt #: 196 total cpu time spent up to now is 174.7 secs Computing kpt #: 197 total cpu time spent up to now is 175.6 secs Computing kpt #: 198 total cpu time spent up to now is 176.5 secs Computing kpt #: 199 total cpu time spent up to now is 177.4 secs Computing kpt #: 200 total cpu time spent up to now is 178.4 secs Computing kpt #: 201 total cpu time spent up to now is 179.2 secs Computing kpt #: 202 total cpu time spent up to now is 180.2 secs Computing kpt #: 203 total cpu time spent up to now is 181.0 secs Computing kpt #: 204 total cpu time spent up to now is 182.0 secs Computing kpt #: 205 total cpu time spent up to now is 182.8 secs Computing kpt #: 206 total cpu time spent up to now is 183.7 secs Computing kpt #: 207 total cpu time spent up to now is 184.6 secs Computing kpt #: 208 total cpu time spent up to now is 185.5 secs Computing kpt #: 209 total cpu time spent up to now is 186.4 secs Computing kpt #: 210 total cpu time spent up to now is 187.3 secs Computing kpt #: 211 total cpu time spent up to now is 188.2 secs Computing kpt #: 212 total cpu time spent up to now is 189.2 secs Computing kpt #: 213 total cpu time spent up to now is 190.1 secs Computing kpt #: 214 total cpu time spent up to now is 191.0 secs Computing kpt #: 215 total cpu time spent up to now is 191.8 secs Computing kpt #: 216 total cpu time spent up to now is 192.8 secs Computing kpt #: 217 total cpu time spent up to now is 193.7 secs Computing kpt #: 218 total cpu time spent up to now is 194.5 secs Computing kpt #: 219 total cpu time spent up to now is 195.4 secs Computing kpt #: 220 total cpu time spent up to now is 196.3 secs Computing kpt #: 221 total cpu time spent up to now is 197.2 secs Computing kpt #: 222 total cpu time spent up to now is 198.1 secs Computing kpt #: 223 total cpu time spent up to now is 199.0 secs Computing kpt #: 224 total cpu time spent up to now is 199.9 secs Computing kpt #: 225 total cpu time spent up to now is 200.8 secs Computing kpt #: 226 total cpu time spent up to now is 201.7 secs Computing kpt #: 227 total cpu time spent up to now is 202.7 secs Computing kpt #: 228 total cpu time spent up to now is 203.6 secs Computing kpt #: 229 total cpu time spent up to now is 204.6 secs Computing kpt #: 230 total cpu time spent up to now is 205.6 secs Computing kpt #: 231 total cpu time spent up to now is 206.5 secs Computing kpt #: 232 total cpu time spent up to now is 207.5 secs Computing kpt #: 233 total cpu time spent up to now is 208.5 secs Computing kpt #: 234 total cpu time spent up to now is 209.4 secs Computing kpt #: 235 total cpu time spent up to now is 210.3 secs Computing kpt #: 236 total cpu time spent up to now is 211.3 secs Computing kpt #: 237 total cpu time spent up to now is 212.2 secs Computing kpt #: 238 total cpu time spent up to now is 213.2 secs Computing kpt #: 239 total cpu time spent up to now is 214.1 secs Computing kpt #: 240 total cpu time spent up to now is 215.1 secs Computing kpt #: 241 total cpu time spent up to now is 216.0 secs Computing kpt #: 242 total cpu time spent up to now is 217.0 secs Computing kpt #: 243 total cpu time spent up to now is 217.9 secs Computing kpt #: 244 total cpu time spent up to now is 218.9 secs Computing kpt #: 245 total cpu time spent up to now is 219.8 secs Computing kpt #: 246 total cpu time spent up to now is 220.7 secs Computing kpt #: 247 total cpu time spent up to now is 221.7 secs Computing kpt #: 248 total cpu time spent up to now is 222.6 secs Computing kpt #: 249 total cpu time spent up to now is 223.6 secs Computing kpt #: 250 total cpu time spent up to now is 224.5 secs Computing kpt #: 251 total cpu time spent up to now is 225.2 secs Computing kpt #: 252 total cpu time spent up to now is 225.9 secs Computing kpt #: 253 total cpu time spent up to now is 226.6 secs Computing kpt #: 254 total cpu time spent up to now is 227.5 secs Computing kpt #: 255 total cpu time spent up to now is 228.4 secs Computing kpt #: 256 total cpu time spent up to now is 229.1 secs Computing kpt #: 257 total cpu time spent up to now is 230.0 secs Computing kpt #: 258 total cpu time spent up to now is 231.0 secs Computing kpt #: 259 total cpu time spent up to now is 231.9 secs Computing kpt #: 260 total cpu time spent up to now is 232.8 secs Computing kpt #: 261 total cpu time spent up to now is 233.7 secs Computing kpt #: 262 total cpu time spent up to now is 234.6 secs Computing kpt #: 263 total cpu time spent up to now is 235.5 secs Computing kpt #: 264 total cpu time spent up to now is 236.4 secs Computing kpt #: 265 total cpu time spent up to now is 237.4 secs Computing kpt #: 266 total cpu time spent up to now is 238.2 secs Computing kpt #: 267 total cpu time spent up to now is 239.2 secs Computing kpt #: 268 total cpu time spent up to now is 240.1 secs Computing kpt #: 269 total cpu time spent up to now is 241.0 secs Computing kpt #: 270 total cpu time spent up to now is 241.9 secs Computing kpt #: 271 total cpu time spent up to now is 242.8 secs Computing kpt #: 272 total cpu time spent up to now is 243.7 secs ethr = 1.92E-08, avg # of iterations = 23.0 total cpu time spent up to now is 243.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5965 PWs) bands (ev): -17.4992 -17.4992 -17.0632 -17.0632 -16.6009 -16.6009 -16.1103 -16.1103 -12.3684 -12.3684 -12.1756 -12.1756 -9.9895 -9.9895 -9.8770 -9.8770 -7.4259 -7.4259 -7.3954 -7.3954 -7.1111 -7.1111 -6.6470 -6.6470 -6.4062 -6.4062 -5.8391 -5.8391 -5.3848 -5.3848 -5.3302 -5.3302 -4.4160 -4.4160 -4.2086 -4.2086 -3.6752 -3.6752 -3.4076 -3.4076 -2.9731 -2.9731 -2.6013 -2.6013 0.1170 0.1170 0.2013 0.2013 0.8650 0.8650 1.3794 1.3794 6.1190 6.1190 7.0329 7.0329 8.1099 8.1099 8.8739 8.8739 9.0467 9.0467 k = 0.0000 0.0000 0.0241 ( 5975 PWs) bands (ev): -17.4987 -17.4987 -17.0630 -17.0630 -16.6009 -16.6009 -16.1110 -16.1110 -12.3682 -12.3682 -12.1754 -12.1754 -9.9898 -9.9898 -9.8775 -9.8775 -7.4486 -7.4486 -7.3724 -7.3724 -7.1141 -7.1141 -6.6443 -6.6443 -6.4061 -6.4061 -5.8389 -5.8389 -5.3847 -5.3847 -5.3299 -5.3299 -4.4163 -4.4163 -4.2078 -4.2078 -3.6760 -3.6760 -3.4079 -3.4079 -2.9717 -2.9717 -2.6005 -2.6005 0.1174 0.1174 0.2001 0.2001 0.8663 0.8663 1.3787 1.3787 6.1180 6.1180 7.0347 7.0347 8.1080 8.1080 8.8639 8.8639 9.0520 9.0520 k = 0.0000 0.0000 0.0483 ( 5984 PWs) bands (ev): -17.4973 -17.4973 -17.0626 -17.0626 -16.6012 -16.6012 -16.1130 -16.1130 -12.3677 -12.3677 -12.1750 -12.1750 -9.9909 -9.9909 -9.8791 -9.8791 -7.4815 -7.4815 -7.3387 -7.3387 -7.1229 -7.1229 -6.6362 -6.6362 -6.4057 -6.4057 -5.8385 -5.8385 -5.3842 -5.3842 -5.3288 -5.3288 -4.4171 -4.4171 -4.2056 -4.2056 -3.6785 -3.6785 -3.4087 -3.4087 -2.9675 -2.9675 -2.5981 -2.5981 0.1186 0.1186 0.1965 0.1965 0.8703 0.8703 1.3765 1.3765 6.1150 6.1150 7.0400 7.0400 8.1023 8.1023 8.8378 8.8378 9.0645 9.0645 k = 0.0000 0.0000 0.0724 ( 5999 PWs) bands (ev): -17.4950 -17.4950 -17.0620 -17.0620 -16.6015 -16.6015 -16.1164 -16.1164 -12.3667 -12.3667 -12.1742 -12.1742 -9.9927 -9.9927 -9.8817 -9.8817 -7.5148 -7.5148 -7.3039 -7.3039 -7.1368 -7.1368 -6.6233 -6.6233 -6.4050 -6.4050 -5.8379 -5.8379 -5.3835 -5.3835 -5.3270 -5.3270 -4.4183 -4.4183 -4.2019 -4.2019 -3.6827 -3.6827 -3.4100 -3.4100 -2.9607 -2.9607 -2.5940 -2.5940 0.1206 0.1206 0.1906 0.1906 0.8767 0.8767 1.3728 1.3728 6.1102 6.1102 7.0487 7.0487 8.0929 8.0929 8.8023 8.8023 9.0781 9.0781 k = 0.0000 0.0000 0.0966 ( 6002 PWs) bands (ev): -17.4918 -17.4918 -17.0610 -17.0610 -16.6020 -16.6020 -16.1212 -16.1212 -12.3653 -12.3653 -12.1731 -12.1731 -9.9952 -9.9952 -9.8854 -9.8854 -7.5479 -7.5479 -7.2688 -7.2688 -7.1551 -7.1551 -6.6065 -6.6065 -6.4040 -6.4040 -5.8370 -5.8370 -5.3823 -5.3823 -5.3246 -5.3246 -4.4199 -4.4199 -4.1967 -4.1967 -3.6884 -3.6884 -3.4118 -3.4118 -2.9511 -2.9511 -2.5884 -2.5884 0.1234 0.1234 0.1827 0.1827 0.8855 0.8855 1.3678 1.3678 6.1038 6.1038 7.0605 7.0605 8.0799 8.0799 8.7622 8.7622 9.0885 9.0885 k = 0.0000 0.0000 0.1207 ( 6004 PWs) bands (ev): -17.4877 -17.4877 -17.0598 -17.0598 -16.6027 -16.6027 -16.1273 -16.1273 -12.3635 -12.3635 -12.1718 -12.1718 -9.9983 -9.9983 -9.8900 -9.8900 -7.5803 -7.5803 -7.2337 -7.2337 -7.1770 -7.1770 -6.5867 -6.5867 -6.4027 -6.4027 -5.8358 -5.8358 -5.3809 -5.3809 -5.3215 -5.3215 -4.4220 -4.4220 -4.1901 -4.1901 -3.6957 -3.6957 -3.4142 -3.4142 -2.9389 -2.9389 -2.5813 -2.5813 0.1268 0.1268 0.1731 0.1731 0.8963 0.8963 1.3614 1.3614 6.0960 6.0960 7.0752 7.0752 8.0634 8.0634 8.7202 8.7202 9.0922 9.0922 k = 0.0000 0.0000 0.1449 ( 6000 PWs) bands (ev): -17.4827 -17.4827 -17.0584 -17.0584 -16.6035 -16.6035 -16.1346 -16.1346 -12.3614 -12.3614 -12.1702 -12.1702 -10.0021 -10.0021 -9.8956 -9.8956 -7.6120 -7.6120 -7.2016 -7.2016 -7.1988 -7.1988 -6.5645 -6.5645 -6.4010 -6.4010 -5.8344 -5.8344 -5.3791 -5.3791 -5.3178 -5.3178 -4.4243 -4.4243 -4.1822 -4.1822 -3.7044 -3.7044 -3.4171 -3.4171 -2.9242 -2.9242 -2.5727 -2.5727 0.1310 0.1310 0.1620 0.1620 0.9088 0.9088 1.3538 1.3538 6.0871 6.0871 7.0923 7.0923 8.0435 8.0435 8.6780 8.6780 9.0855 9.0855 k = 0.0000 0.0000 0.1690 ( 5999 PWs) bands (ev): -17.4768 -17.4768 -17.0567 -17.0567 -16.6044 -16.6044 -16.1432 -16.1432 -12.3588 -12.3588 -12.1684 -12.1684 -10.0065 -10.0065 -9.9021 -9.9021 -7.6430 -7.6430 -7.2283 -7.2283 -7.1642 -7.1642 -6.5410 -6.5410 -6.3989 -6.3989 -5.8328 -5.8328 -5.3769 -5.3769 -5.3134 -5.3134 -4.4267 -4.4267 -4.1730 -4.1730 -3.7146 -3.7146 -3.4207 -3.4207 -2.9072 -2.9072 -2.5628 -2.5628 0.1356 0.1356 0.1497 0.1497 0.9227 0.9227 1.3450 1.3450 6.0776 6.0776 7.1115 7.1115 8.0206 8.0206 8.6367 8.6367 9.0640 9.0640 k = 0.0000 0.0000 0.1932 ( 5985 PWs) bands (ev): -17.4700 -17.4700 -17.0548 -17.0548 -16.6054 -16.6054 -16.1531 -16.1531 -12.3559 -12.3559 -12.1664 -12.1664 -10.0114 -10.0114 -9.9095 -9.9095 -7.6729 -7.6729 -7.2565 -7.2565 -7.1299 -7.1299 -6.5165 -6.5165 -6.3961 -6.3961 -5.8309 -5.8309 -5.3744 -5.3744 -5.3085 -5.3085 -4.4293 -4.4293 -4.1627 -4.1627 -3.7259 -3.7259 -3.4248 -3.4248 -2.8879 -2.8879 -2.5516 -2.5516 0.1362 0.1362 0.1412 0.1412 0.9377 0.9377 1.3352 1.3352 6.0677 6.0677 7.1324 7.1324 7.9949 7.9949 8.5967 8.5967 9.0253 9.0253 k = 0.0000 0.0000 0.2173 ( 5990 PWs) bands (ev): -17.4623 -17.4623 -17.0527 -17.0527 -16.6066 -16.6066 -16.1641 -16.1641 -12.3526 -12.3526 -12.1642 -12.1642 -10.0170 -10.0170 -9.9177 -9.9177 -7.7019 -7.7019 -7.2860 -7.2860 -7.0961 -7.0961 -6.4922 -6.4922 -6.3924 -6.3924 -5.8289 -5.8289 -5.3715 -5.3715 -5.3031 -5.3031 -4.4320 -4.4320 -4.1513 -4.1513 -3.7386 -3.7386 -3.4296 -3.4296 -2.8665 -2.8665 -2.5393 -2.5393 0.1226 0.1226 0.1466 0.1466 0.9535 0.9535 1.3244 1.3244 6.0578 6.0578 7.1545 7.1545 7.9668 7.9668 8.5581 8.5581 8.9703 8.9703 k = 0.0000 0.0000 0.2415 ( 5994 PWs) bands (ev): -17.4538 -17.4538 -17.0504 -17.0504 -16.6079 -16.6079 -16.1762 -16.1762 -12.3489 -12.3489 -12.1619 -12.1619 -10.0230 -10.0230 -9.9267 -9.9267 -7.7298 -7.7298 -7.3164 -7.3164 -7.0629 -7.0629 -6.4690 -6.4690 -6.3869 -6.3869 -5.8267 -5.8267 -5.3681 -5.3681 -5.2972 -5.2972 -4.4345 -4.4345 -4.1390 -4.1390 -3.7523 -3.7523 -3.4350 -3.4350 -2.8433 -2.8433 -2.5260 -2.5260 0.1086 0.1086 0.1525 0.1525 0.9698 0.9698 1.3128 1.3128 6.0481 6.0481 7.1776 7.1776 7.9367 7.9367 8.5205 8.5205 8.9030 8.9030 k = 0.0000 0.0000 0.2656 ( 5989 PWs) bands (ev): -17.4445 -17.4445 -17.0479 -17.0479 -16.6094 -16.6094 -16.1895 -16.1895 -12.3448 -12.3448 -12.1595 -12.1595 -10.0295 -10.0295 -9.9363 -9.9363 -7.7564 -7.7564 -7.3472 -7.3472 -7.0303 -7.0303 -6.4485 -6.4485 -6.3783 -6.3783 -5.8243 -5.8243 -5.3643 -5.3643 -5.2908 -5.2908 -4.4368 -4.4368 -4.1258 -4.1258 -3.7671 -3.7671 -3.4410 -3.4410 -2.8184 -2.8184 -2.5117 -2.5117 0.0945 0.0945 0.1586 0.1586 0.9865 0.9865 1.3005 1.3005 6.0390 6.0390 7.2012 7.2012 7.9051 7.9051 8.4832 8.4832 8.8284 8.8284 k = 0.0000 0.0000 0.2898 ( 5993 PWs) bands (ev): -17.4344 -17.4344 -17.0453 -17.0453 -16.6109 -16.6109 -16.2037 -16.2037 -12.3404 -12.3404 -12.1570 -12.1570 -10.0364 -10.0364 -9.9466 -9.9466 -7.7820 -7.7820 -7.3784 -7.3784 -6.9984 -6.9984 -6.4327 -6.4327 -6.3650 -6.3650 -5.8218 -5.8218 -5.3600 -5.3600 -5.2841 -5.2841 -4.4390 -4.4390 -4.1119 -4.1119 -3.7827 -3.7827 -3.4476 -3.4476 -2.7920 -2.7920 -2.4967 -2.4967 0.0805 0.0805 0.1647 0.1647 1.0032 1.0032 1.2877 1.2877 6.0308 6.0308 7.2250 7.2250 7.8723 7.8723 8.4447 8.4447 8.7512 8.7512 k = 0.0000 0.0000 0.3139 ( 5989 PWs) bands (ev): -17.4234 -17.4234 -17.0425 -17.0425 -16.6125 -16.6125 -16.2189 -16.2189 -12.3356 -12.3356 -12.1545 -12.1545 -10.0436 -10.0436 -9.9575 -9.9575 -7.8062 -7.8062 -7.4098 -7.4098 -6.9673 -6.9673 -6.4222 -6.4222 -6.3464 -6.3464 -5.8192 -5.8192 -5.3553 -5.3553 -5.2771 -5.2771 -4.4407 -4.4407 -4.0974 -4.0974 -3.7991 -3.7991 -3.4548 -3.4548 -2.7644 -2.7644 -2.4809 -2.4809 0.0669 0.0669 0.1707 0.1707 1.0197 1.0197 1.2746 1.2746 6.0237 6.0237 7.2486 7.2486 7.8387 7.8387 8.4028 8.4028 8.6759 8.6759 k = 0.0000 0.0000 0.3381 ( 5993 PWs) bands (ev): -17.4118 -17.4118 -17.0397 -17.0397 -16.6143 -16.6143 -16.2349 -16.2349 -12.3305 -12.3305 -12.1521 -12.1521 -10.0512 -10.0512 -9.9688 -9.9688 -7.8290 -7.8290 -7.4411 -7.4411 -6.9370 -6.9370 -6.4158 -6.4158 -6.3240 -6.3240 -5.8166 -5.8166 -5.3501 -5.3501 -5.2698 -5.2698 -4.4420 -4.4420 -4.0826 -4.0826 -3.8161 -3.8161 -3.4625 -3.4625 -2.7357 -2.7357 -2.4647 -2.4647 0.0539 0.0539 0.1765 0.1765 1.0360 1.0360 1.2613 1.2613 6.0180 6.0180 7.2719 7.2719 7.8047 7.8047 8.3542 8.3542 8.6073 8.6073 k = 0.0000 0.0000 0.3622 ( 6001 PWs) bands (ev): -17.3994 -17.3994 -17.0368 -17.0368 -16.6161 -16.6161 -16.2518 -16.2518 -12.3251 -12.3251 -12.1497 -12.1497 -10.0590 -10.0590 -9.9806 -9.9806 -7.8506 -7.8506 -7.4723 -7.4723 -6.9076 -6.9076 -6.4119 -6.4119 -6.2996 -6.2996 -5.8140 -5.8140 -5.3444 -5.3444 -5.2623 -5.2623 -4.4428 -4.4428 -4.0675 -4.0675 -3.8335 -3.8335 -3.4708 -3.4708 -2.7062 -2.7062 -2.4480 -2.4480 0.0416 0.0416 0.1819 0.1819 1.0517 1.0517 1.2481 1.2481 6.0138 6.0138 7.2945 7.2945 7.7705 7.7705 8.2959 8.2959 8.5495 8.5495 k = 0.0000 0.0000 0.3864 ( 6009 PWs) bands (ev): -17.3862 -17.3862 -17.0339 -17.0339 -16.6179 -16.6179 -16.2693 -16.2693 -12.3194 -12.3194 -12.1475 -12.1475 -10.0669 -10.0669 -9.9926 -9.9926 -7.8707 -7.8707 -7.5032 -7.5032 -6.8790 -6.8790 -6.4095 -6.4095 -6.2743 -6.2743 -5.8115 -5.8115 -5.3382 -5.3382 -5.2546 -5.2546 -4.4430 -4.4430 -4.0524 -4.0524 -3.8511 -3.8511 -3.4795 -3.4795 -2.6761 -2.6761 -2.4310 -2.4310 0.0302 0.0302 0.1868 0.1868 1.0668 1.0668 1.2350 1.2350 6.0115 6.0115 7.3162 7.3162 7.7361 7.7361 8.2273 8.2273 8.5040 8.5040 k = 0.0000 0.0000 0.4105 ( 6013 PWs) bands (ev): -17.3725 -17.3725 -17.0310 -17.0310 -16.6198 -16.6198 -16.2875 -16.2875 -12.3133 -12.3133 -12.1454 -12.1454 -10.0750 -10.0750 -10.0048 -10.0048 -7.8893 -7.8893 -7.5337 -7.5337 -6.8515 -6.8515 -6.4081 -6.4081 -6.2487 -6.2487 -5.8091 -5.8091 -5.3316 -5.3316 -5.2469 -5.2469 -4.4426 -4.4426 -4.0378 -4.0378 -3.8686 -3.8686 -3.4888 -3.4888 -2.6456 -2.6456 -2.4139 -2.4139 0.0197 0.0197 0.1909 0.1909 1.0812 1.0812 1.2223 1.2223 6.0111 6.0111 7.3369 7.3369 7.7016 7.7016 8.1509 8.1509 8.4691 8.4691 k = 0.0000 0.0000 0.4347 ( 6022 PWs) bands (ev): -17.3581 -17.3581 -17.0282 -17.0282 -16.6218 -16.6218 -16.3063 -16.3063 -12.3070 -12.3070 -12.1436 -12.1436 -10.0832 -10.0832 -10.0172 -10.0172 -7.9064 -7.9064 -7.5638 -7.5638 -6.8249 -6.8249 -6.4075 -6.4075 -6.2231 -6.2231 -5.8068 -5.8068 -5.3245 -5.3245 -5.2392 -5.2392 -4.4415 -4.4415 -4.0242 -4.0242 -3.8853 -3.8853 -3.4985 -3.4985 -2.6149 -2.6149 -2.3967 -2.3967 0.0104 0.0104 0.1943 0.1943 1.0947 1.0947 1.2102 1.2102 6.0128 6.0128 7.3564 7.3564 7.6665 7.6665 8.0703 8.0703 8.4421 8.4421 k = 0.0000 0.0000 0.4588 ( 6017 PWs) bands (ev): -17.3431 -17.3431 -17.0254 -17.0254 -16.6237 -16.6237 -16.3255 -16.3255 -12.3004 -12.3004 -12.1419 -12.1419 -10.0913 -10.0913 -10.0296 -10.0296 -7.9221 -7.9221 -7.5933 -7.5933 -6.7992 -6.7992 -6.4075 -6.4075 -6.1978 -6.1978 -5.8049 -5.8049 -5.3169 -5.3169 -5.2316 -5.2316 -4.4396 -4.4396 -4.0126 -4.0126 -3.9002 -3.9002 -3.5087 -3.5087 -2.5843 -2.5843 -2.3797 -2.3797 0.0022 0.0022 0.1966 0.1966 1.1073 1.1073 1.1988 1.1988 6.0169 6.0169 7.3746 7.3746 7.6302 7.6302 7.9889 7.9889 8.4208 8.4208 k = 0.0000 0.0000 0.4829 ( 6014 PWs) bands (ev): -17.3276 -17.3276 -17.0229 -17.0229 -16.6256 -16.6256 -16.3450 -16.3450 -12.2936 -12.2936 -12.1406 -12.1406 -10.0993 -10.0993 -10.0419 -10.0419 -7.9362 -7.9362 -7.6221 -7.6221 -6.7746 -6.7746 -6.4081 -6.4081 -6.1729 -6.1729 -5.8033 -5.8033 -5.3090 -5.3090 -5.2242 -5.2242 -4.4369 -4.4369 -4.0052 -4.0052 -3.9113 -3.9113 -3.5192 -3.5192 -2.5539 -2.5539 -2.3629 -2.3629 -0.0047 -0.0047 0.1979 0.1979 1.1188 1.1188 1.1883 1.1883 6.0234 6.0234 7.3915 7.3915 7.5917 7.5917 7.9098 7.9098 8.4035 8.4035 k = 0.0000 0.0000 0.5071 ( 6001 PWs) bands (ev): -17.3115 -17.3115 -17.0206 -17.0206 -16.6274 -16.6274 -16.3649 -16.3649 -12.2866 -12.2866 -12.1396 -12.1396 -10.1072 -10.1072 -10.0540 -10.0540 -7.9488 -7.9488 -7.6503 -7.6503 -6.7509 -6.7509 -6.4092 -6.4092 -6.1485 -6.1485 -5.8021 -5.8021 -5.3007 -5.3007 -5.2170 -5.2170 -4.4333 -4.4333 -4.0048 -4.0048 -3.9156 -3.9156 -3.5301 -3.5301 -2.5240 -2.5240 -2.3465 -2.3465 -0.0102 -0.0102 0.1980 0.1980 1.1293 1.1293 1.1788 1.1788 6.0325 6.0325 7.4069 7.4069 7.5490 7.5490 7.8361 7.8361 8.3895 8.3895 k = 0.0000 0.0000 0.5312 ( 6005 PWs) bands (ev): -17.2951 -17.2951 -17.0185 -17.0185 -16.6291 -16.6291 -16.3848 -16.3848 -12.2794 -12.2794 -12.1389 -12.1389 -10.1149 -10.1149 -10.0659 -10.0659 -7.9598 -7.9598 -7.6777 -7.6777 -6.7281 -6.7281 -6.4110 -6.4110 -6.1247 -6.1247 -5.8014 -5.8014 -5.2920 -5.2920 -5.2101 -5.2101 -4.4289 -4.4289 -4.0124 -4.0124 -3.9122 -3.9122 -3.5413 -3.5413 -2.4947 -2.4947 -2.3307 -2.3307 -0.0144 -0.0144 0.1967 0.1967 1.1387 1.1387 1.1704 1.1704 6.0444 6.0444 7.4209 7.4209 7.5000 7.5000 7.7707 7.7707 8.3781 8.3781 k = 0.0000 0.0000 0.5554 ( 6007 PWs) bands (ev): -17.2783 -17.2783 -17.0169 -17.0169 -16.6307 -16.6307 -16.4047 -16.4047 -12.2720 -12.2720 -12.1387 -12.1387 -10.1224 -10.1224 -10.0775 -10.0775 -7.9692 -7.9692 -7.7043 -7.7043 -6.7064 -6.7064 -6.4133 -6.4133 -6.1016 -6.1016 -5.8012 -5.8012 -5.2832 -5.2832 -5.2036 -5.2036 -4.4236 -4.4236 -4.0260 -4.0260 -3.9030 -3.9030 -3.5528 -3.5528 -2.4663 -2.4663 -2.3156 -2.3156 -0.0172 -0.0172 0.1941 0.1941 1.1470 1.1470 1.1633 1.1633 6.0590 6.0590 7.4334 7.4334 7.4432 7.4432 7.7159 7.7159 8.3689 8.3689 k = 0.0000 0.0000 0.5795 ( 6011 PWs) bands (ev): -17.2613 -17.2613 -17.0157 -17.0157 -16.6321 -16.6321 -16.4246 -16.4246 -12.2645 -12.2645 -12.1389 -12.1389 -10.1295 -10.1295 -10.0886 -10.0886 -7.9772 -7.9772 -7.7300 -7.7300 -6.6856 -6.6856 -6.4163 -6.4163 -6.0791 -6.0791 -5.8017 -5.8017 -5.2741 -5.2741 -5.1975 -5.1975 -4.4174 -4.4174 -4.0429 -4.0429 -3.8908 -3.8908 -3.5646 -3.5646 -2.4389 -2.4389 -2.3012 -2.3012 -0.0185 -0.0185 0.1901 0.1901 1.1540 1.1540 1.1575 1.1575 6.0766 6.0766 7.3785 7.3785 7.4445 7.4445 7.6719 7.6719 8.3618 8.3618 k = 0.0000 0.0000 0.6037 ( 6020 PWs) bands (ev): -17.2440 -17.2440 -17.0151 -17.0151 -16.6332 -16.6332 -16.4442 -16.4442 -12.2569 -12.2569 -12.1395 -12.1395 -10.1362 -10.1362 -10.0993 -10.0993 -7.9835 -7.9835 -7.7547 -7.7547 -6.6657 -6.6657 -6.4199 -6.4199 -6.0573 -6.0573 -5.8028 -5.8028 -5.2650 -5.2650 -5.1920 -5.1920 -4.4103 -4.4103 -4.0615 -4.0615 -3.8771 -3.8771 -3.5766 -3.5766 -2.4127 -2.4127 -2.2878 -2.2878 -0.0184 -0.0184 0.1848 0.1848 1.1526 1.1526 1.1601 1.1601 6.0972 6.0972 7.3078 7.3078 7.4543 7.4543 7.6373 7.6373 8.3565 8.3565 k = 0.0000 0.0000 0.6278 ( 6021 PWs) bands (ev): -17.2266 -17.2266 -17.0151 -17.0151 -16.6340 -16.6340 -16.4634 -16.4634 -12.2493 -12.2493 -12.1406 -12.1406 -10.1425 -10.1425 -10.1094 -10.1094 -7.9882 -7.9882 -7.7785 -7.7785 -6.6467 -6.6467 -6.4240 -6.4240 -6.0363 -6.0363 -5.8047 -5.8047 -5.2558 -5.2558 -5.1871 -5.1871 -4.4022 -4.4022 -4.0809 -4.0809 -3.8627 -3.8627 -3.5888 -3.5888 -2.3878 -2.3878 -2.2755 -2.2755 -0.0168 -0.0168 0.1781 0.1781 1.1493 1.1493 1.1649 1.1649 6.1208 6.1208 7.2335 7.2335 7.4628 7.4628 7.6099 7.6099 8.3530 8.3530 k = 0.0000 0.0000 0.6520 ( 6015 PWs) bands (ev): -17.2091 -17.2091 -17.0158 -17.0158 -16.6345 -16.6345 -16.4821 -16.4821 -12.2416 -12.2416 -12.1422 -12.1422 -10.1482 -10.1482 -10.1189 -10.1189 -7.9914 -7.9914 -7.8012 -7.8012 -6.6286 -6.6286 -6.4288 -6.4288 -6.0161 -6.0161 -5.8074 -5.8074 -5.2468 -5.2468 -5.1829 -5.1829 -4.3932 -4.3932 -4.1009 -4.1009 -3.8479 -3.8479 -3.6011 -3.6011 -2.3644 -2.3644 -2.2643 -2.2643 -0.0138 -0.0138 0.1701 0.1701 1.1472 1.1472 1.1687 1.1687 6.1477 6.1477 7.1575 7.1575 7.4702 7.4702 7.5880 7.5880 8.3512 8.3512 k = 0.0000 0.0000 0.6761 ( 6015 PWs) bands (ev): -17.1918 -17.1918 -17.0174 -17.0174 -16.6344 -16.6344 -16.5001 -16.5001 -12.2339 -12.2339 -12.1442 -12.1442 -10.1533 -10.1533 -10.1277 -10.1277 -7.9931 -7.9931 -7.8228 -7.8228 -6.6113 -6.6113 -6.4342 -6.4342 -5.9967 -5.9967 -5.8109 -5.8109 -5.2378 -5.2378 -5.1795 -5.1795 -4.3832 -4.3832 -4.1209 -4.1209 -3.8331 -3.8331 -3.6137 -3.6137 -2.3425 -2.3425 -2.2545 -2.2545 -0.0094 -0.0094 0.1611 0.1611 1.1462 1.1462 1.1713 1.1713 6.1777 6.1777 7.0813 7.0813 7.4765 7.4765 7.5702 7.5702 8.3511 8.3511 k = 0.0000 0.0000 0.7003 ( 6014 PWs) bands (ev): -17.1746 -17.1746 -17.0199 -17.0199 -16.6339 -16.6339 -16.5174 -16.5174 -12.2263 -12.2263 -12.1468 -12.1468 -10.1579 -10.1579 -10.1357 -10.1357 -7.9932 -7.9932 -7.8433 -7.8433 -6.5948 -6.5948 -6.4403 -6.4403 -5.9781 -5.9781 -5.8153 -5.8153 -5.2291 -5.2291 -5.1768 -5.1768 -4.3724 -4.3724 -4.1410 -4.1410 -3.8183 -3.8183 -3.6264 -3.6264 -2.3224 -2.3224 -2.2462 -2.2462 -0.0037 -0.0037 0.1509 0.1509 1.1462 1.1462 1.1730 1.1730 6.2110 6.2110 7.0058 7.0058 7.4818 7.4818 7.5557 7.5557 8.3526 8.3526 k = 0.0000 0.0000 0.7244 ( 6016 PWs) bands (ev): -17.1577 -17.1577 -17.0234 -17.0234 -16.6326 -16.6326 -16.5336 -16.5336 -12.2188 -12.2188 -12.1498 -12.1498 -10.1617 -10.1617 -10.1430 -10.1430 -7.9918 -7.9918 -7.8626 -7.8626 -6.5792 -6.5792 -6.4470 -6.4470 -5.9603 -5.9603 -5.8206 -5.8206 -5.2208 -5.2208 -5.1750 -5.1750 -4.3606 -4.3606 -4.1609 -4.1609 -3.8036 -3.8036 -3.6392 -3.6392 -2.3041 -2.3041 -2.2393 -2.2393 0.0032 0.0032 0.1400 0.1400 1.1471 1.1471 1.1737 1.1737 6.2476 6.2476 6.9317 6.9317 7.4863 7.4863 7.5437 7.5437 8.3558 8.3558 k = 0.0000 0.0000 0.7486 ( 6018 PWs) bands (ev): -17.1413 -17.1413 -17.0282 -17.0282 -16.6307 -16.6307 -16.5488 -16.5488 -12.2114 -12.2114 -12.1534 -12.1534 -10.1648 -10.1648 -10.1494 -10.1494 -7.9889 -7.9889 -7.8807 -7.8807 -6.5643 -6.5643 -6.4543 -6.4543 -5.9435 -5.9435 -5.8269 -5.8269 -5.2130 -5.2130 -5.1740 -5.1740 -4.3480 -4.3480 -4.1806 -4.1806 -3.7891 -3.7891 -3.6522 -3.6522 -2.2878 -2.2878 -2.2342 -2.2342 0.0113 0.0113 0.1282 0.1282 1.1487 1.1487 1.1735 1.1735 6.2874 6.2874 6.8594 6.8594 7.4902 7.4902 7.5339 7.5339 8.3606 8.3606 k = 0.0000 0.0000 0.7727 ( 6025 PWs) bands (ev): -17.1255 -17.1255 -17.0341 -17.0341 -16.6278 -16.6278 -16.5628 -16.5628 -12.2043 -12.2043 -12.1574 -12.1574 -10.1672 -10.1672 -10.1550 -10.1550 -7.9844 -7.9844 -7.8976 -7.8976 -6.5502 -6.5502 -6.4623 -6.4623 -5.9275 -5.9275 -5.8342 -5.8342 -5.2056 -5.2056 -5.1740 -5.1740 -4.3345 -4.3345 -4.1999 -4.1999 -3.7747 -3.7747 -3.6653 -3.6653 -2.2733 -2.2733 -2.2307 -2.2307 0.0205 0.0205 0.1160 0.1160 1.1510 1.1510 1.1726 1.1726 6.3306 6.3306 6.7893 6.7893 7.4936 7.4936 7.5259 7.5259 8.3670 8.3670 k = 0.0000 0.0000 0.7969 ( 6015 PWs) bands (ev): -17.1103 -17.1103 -17.0413 -17.0413 -16.6240 -16.6240 -16.5755 -16.5755 -12.1973 -12.1973 -12.1619 -12.1619 -10.1687 -10.1687 -10.1597 -10.1597 -7.9785 -7.9785 -7.9132 -7.9132 -6.5368 -6.5368 -6.4709 -6.4709 -5.9125 -5.9125 -5.8424 -5.8424 -5.1989 -5.1989 -5.1749 -5.1749 -4.3200 -4.3200 -4.2188 -4.2188 -3.7605 -3.7605 -3.6785 -3.6785 -2.2609 -2.2609 -2.2291 -2.2291 0.0306 0.0306 0.1034 0.1034 1.1538 1.1538 1.1709 1.1709 6.3770 6.3770 6.7218 6.7218 7.4967 7.4967 7.5194 7.5194 8.3750 8.3750 k = 0.0000 0.0000 0.8210 ( 6011 PWs) bands (ev): -17.0960 -17.0960 -17.0497 -17.0497 -16.6191 -16.6191 -16.5869 -16.5869 -12.1905 -12.1905 -12.1669 -12.1669 -10.1694 -10.1694 -10.1634 -10.1634 -7.9712 -7.9712 -7.9276 -7.9276 -6.5241 -6.5241 -6.4803 -6.4803 -5.8984 -5.8984 -5.8516 -5.8516 -5.1928 -5.1928 -5.1767 -5.1767 -4.3049 -4.3049 -4.2372 -4.2372 -3.7464 -3.7464 -3.6918 -3.6918 -2.2505 -2.2505 -2.2294 -2.2294 0.0416 0.0416 0.0907 0.0907 1.1568 1.1568 1.1687 1.1687 6.4267 6.4267 6.6568 6.6568 7.4996 7.4996 7.5140 7.5140 8.3847 8.3847 k = 0.0000 0.0000 0.8452 ( 6011 PWs) bands (ev): -17.0827 -17.0827 -17.0595 -17.0595 -16.6130 -16.6130 -16.5970 -16.5970 -12.1841 -12.1841 -12.1722 -12.1722 -10.1693 -10.1693 -10.1663 -10.1663 -7.9623 -7.9623 -7.9405 -7.9405 -6.5121 -6.5121 -6.4902 -6.4902 -5.8852 -5.8852 -5.8618 -5.8618 -5.1875 -5.1875 -5.1794 -5.1794 -4.2890 -4.2890 -4.2551 -4.2551 -3.7325 -3.7325 -3.7052 -3.7052 -2.2422 -2.2422 -2.2316 -2.2316 0.0532 0.0532 0.0779 0.0779 1.1600 1.1600 1.1661 1.1661 6.4796 6.4796 6.5948 6.5948 7.5026 7.5026 7.5096 7.5096 8.3960 8.3960 k = 0.0000 0.0000 0.8693 ( 6000 PWs) bands (ev): -17.0705 -17.0705 -17.0705 -17.0705 -16.6056 -16.6056 -16.6056 -16.6056 -12.1780 -12.1780 -12.1780 -12.1780 -10.1682 -10.1682 -10.1682 -10.1682 -7.9521 -7.9521 -7.9521 -7.9521 -6.5008 -6.5008 -6.5008 -6.5008 -5.8730 -5.8730 -5.8730 -5.8730 -5.1830 -5.1830 -5.1830 -5.1830 -4.2724 -4.2724 -4.2724 -4.2724 -3.7188 -3.7188 -3.7188 -3.7188 -2.2359 -2.2359 -2.2359 -2.2359 0.0654 0.0654 0.0654 0.0654 1.1631 1.1631 1.1631 1.1631 6.5357 6.5357 6.5357 6.5357 7.5058 7.5058 7.5058 7.5058 8.4089 8.4089 k = 0.0000 0.0000 0.8693 ( 6000 PWs) bands (ev): -17.0705 -17.0705 -17.0705 -17.0705 -16.6056 -16.6056 -16.6056 -16.6056 -12.1780 -12.1780 -12.1780 -12.1780 -10.1682 -10.1682 -10.1682 -10.1682 -7.9521 -7.9521 -7.9521 -7.9521 -6.5008 -6.5008 -6.5008 -6.5008 -5.8730 -5.8730 -5.8730 -5.8730 -5.1830 -5.1830 -5.1830 -5.1830 -4.2724 -4.2724 -4.2724 -4.2724 -3.7188 -3.7188 -3.7188 -3.7188 -2.2359 -2.2359 -2.2359 -2.2359 0.0654 0.0654 0.0654 0.0654 1.1631 1.1631 1.1631 1.1631 6.5357 6.5357 6.5357 6.5357 7.5058 7.5058 7.5058 7.5058 8.4089 8.4089 k = 0.0000 0.0245 0.8693 ( 5997 PWs) bands (ev): -17.0727 -17.0727 -17.0686 -17.0686 -16.6113 -16.6113 -16.5995 -16.5995 -12.1850 -12.1850 -12.1712 -12.1712 -10.1781 -10.1781 -10.1586 -10.1586 -7.9521 -7.9521 -7.9514 -7.9514 -6.5185 -6.5185 -6.4835 -6.4835 -5.8809 -5.8809 -5.8652 -5.8652 -5.1834 -5.1834 -5.1828 -5.1828 -4.2749 -4.2749 -4.2696 -4.2696 -3.7238 -3.7238 -3.7135 -3.7135 -2.2382 -2.2382 -2.2344 -2.2344 0.0628 0.0628 0.0682 0.0682 1.1537 1.1537 1.1735 1.1735 6.5283 6.5283 6.5447 6.5447 7.4725 7.4725 7.5386 7.5386 8.4044 8.4044 k = 0.0000 0.0489 0.8693 ( 5997 PWs) bands (ev): -17.0752 -17.0752 -17.0670 -17.0670 -16.6164 -16.6164 -16.5930 -16.5930 -12.1925 -12.1925 -12.1649 -12.1649 -10.1882 -10.1882 -10.1494 -10.1494 -7.9514 -7.9514 -7.9499 -7.9499 -6.5365 -6.5365 -6.4667 -6.4667 -5.8889 -5.8889 -5.8575 -5.8575 -5.1840 -5.1840 -5.1828 -5.1828 -4.2771 -4.2771 -4.2667 -4.2667 -3.7285 -3.7285 -3.7079 -3.7079 -2.2412 -2.2412 -2.2337 -2.2337 0.0605 0.0605 0.0713 0.0713 1.1454 1.1454 1.1847 1.1847 6.5227 6.5227 6.5555 6.5555 7.4383 7.4383 7.5709 7.5709 8.3999 8.3999 k = 0.0000 0.0734 0.8693 ( 5999 PWs) bands (ev): -17.0780 -17.0780 -17.0655 -17.0655 -16.6210 -16.6210 -16.5860 -16.5860 -12.2002 -12.2002 -12.1590 -12.1590 -10.1984 -10.1984 -10.1406 -10.1406 -7.9499 -7.9499 -7.9477 -7.9477 -6.5547 -6.5547 -6.4504 -6.4504 -5.8969 -5.8969 -5.8500 -5.8500 -5.1847 -5.1847 -5.1829 -5.1829 -4.2789 -4.2789 -4.2637 -4.2637 -3.7327 -3.7327 -3.7021 -3.7021 -2.2451 -2.2451 -2.2339 -2.2339 0.0585 0.0585 0.0746 0.0746 1.1382 1.1382 1.1968 1.1968 6.5188 6.5188 6.5680 6.5680 7.4032 7.4032 7.6028 7.6028 8.3960 8.3960 k = 0.0000 0.0978 0.8693 ( 6005 PWs) bands (ev): -17.0811 -17.0811 -17.0643 -17.0643 -16.6251 -16.6251 -16.5785 -16.5785 -12.2083 -12.2083 -12.1535 -12.1535 -10.2089 -10.2089 -10.1322 -10.1322 -7.9478 -7.9478 -7.9448 -7.9448 -6.5731 -6.5731 -6.4348 -6.4348 -5.9050 -5.9050 -5.8427 -5.8427 -5.1856 -5.1856 -5.1833 -5.1833 -4.2802 -4.2802 -4.2607 -4.2607 -3.7363 -3.7363 -3.6963 -3.6963 -2.2496 -2.2496 -2.2349 -2.2349 0.0569 0.0569 0.0781 0.0781 1.1322 1.1322 1.2094 1.2094 6.5166 6.5166 6.5824 6.5824 7.3670 7.3670 7.6344 7.6344 8.3929 8.3929 k = 0.0000 0.1223 0.8693 ( 6003 PWs) bands (ev): -17.0846 -17.0846 -17.0633 -17.0633 -16.6287 -16.6287 -16.5707 -16.5707 -12.2166 -12.2166 -12.1484 -12.1484 -10.2194 -10.2194 -10.1242 -10.1242 -7.9450 -7.9450 -7.9410 -7.9410 -6.5915 -6.5915 -6.4199 -6.4199 -5.9130 -5.9130 -5.8356 -5.8356 -5.1865 -5.1865 -5.1839 -5.1839 -4.2810 -4.2810 -4.2577 -4.2577 -3.7394 -3.7394 -3.6905 -3.6905 -2.2549 -2.2549 -2.2368 -2.2368 0.0556 0.0556 0.0817 0.0817 1.1275 1.1275 1.2226 1.2226 6.5162 6.5162 6.5985 6.5985 7.3296 7.3296 7.6656 7.6656 8.3913 8.3913 k = 0.0000 0.1467 0.8693 ( 6005 PWs) bands (ev): -17.0884 -17.0884 -17.0624 -17.0624 -16.6318 -16.6318 -16.5624 -16.5624 -12.2251 -12.2251 -12.1438 -12.1438 -10.2299 -10.2299 -10.1167 -10.1167 -7.9414 -7.9414 -7.9365 -7.9365 -6.6099 -6.6099 -6.4060 -6.4060 -5.9210 -5.9210 -5.8289 -5.8289 -5.1876 -5.1876 -5.1846 -5.1846 -4.2811 -4.2811 -4.2548 -4.2548 -3.7418 -3.7418 -3.6847 -3.6847 -2.2608 -2.2608 -2.2395 -2.2395 0.0546 0.0546 0.0855 0.0855 1.1241 1.1241 1.2363 1.2363 6.5175 6.5175 6.6164 6.6164 7.2909 7.2909 7.6964 7.6964 8.3914 8.3914 k = 0.0000 0.1712 0.8693 ( 6005 PWs) bands (ev): -17.0926 -17.0926 -17.0617 -17.0617 -16.6344 -16.6344 -16.5538 -16.5538 -12.2339 -12.2339 -12.1397 -12.1397 -10.2403 -10.2403 -10.1097 -10.1097 -7.9372 -7.9372 -7.9312 -7.9312 -6.6283 -6.6283 -6.3929 -6.3929 -5.9289 -5.9289 -5.8224 -5.8224 -5.1888 -5.1888 -5.1856 -5.1856 -4.2806 -4.2806 -4.2521 -4.2521 -3.7436 -3.7436 -3.6791 -3.6791 -2.2673 -2.2673 -2.2431 -2.2431 0.0541 0.0541 0.0894 0.0894 1.1222 1.1222 1.2502 1.2502 6.5205 6.5205 6.6363 6.6363 7.2507 7.2507 7.7266 7.7266 8.3936 8.3936 k = 0.0000 0.1956 0.8693 ( 6011 PWs) bands (ev): -17.0971 -17.0971 -17.0611 -17.0611 -16.6365 -16.6365 -16.5449 -16.5449 -12.2428 -12.2428 -12.1360 -12.1360 -10.2506 -10.2506 -10.1033 -10.1033 -7.9323 -7.9323 -7.9252 -7.9252 -6.6466 -6.6466 -6.3809 -6.3809 -5.9368 -5.9368 -5.8164 -5.8164 -5.1902 -5.1902 -5.1868 -5.1868 -4.2794 -4.2794 -4.2497 -4.2497 -3.7446 -3.7446 -3.6738 -3.6738 -2.2744 -2.2744 -2.2474 -2.2474 0.0538 0.0538 0.0933 0.0933 1.1217 1.1217 1.2643 1.2643 6.5253 6.5253 6.6580 6.6580 7.2092 7.2092 7.7560 7.7560 8.3981 8.3981 k = 0.0000 0.2201 0.8693 ( 6009 PWs) bands (ev): -17.1020 -17.1020 -17.0606 -17.0606 -16.6380 -16.6380 -16.5356 -16.5356 -12.2518 -12.2518 -12.1327 -12.1327 -10.2606 -10.2606 -10.0973 -10.0973 -7.9268 -7.9268 -7.9183 -7.9183 -6.6647 -6.6647 -6.3699 -6.3699 -5.9446 -5.9446 -5.8108 -5.8108 -5.1916 -5.1916 -5.1881 -5.1881 -4.2774 -4.2774 -4.2474 -4.2474 -3.7449 -3.7449 -3.6687 -3.6687 -2.2820 -2.2820 -2.2526 -2.2526 0.0540 0.0540 0.0972 0.0972 1.1226 1.1226 1.2785 1.2785 6.5319 6.5319 6.6816 6.6816 7.1664 7.1664 7.7842 7.7842 8.4053 8.4053 k = 0.0000 0.2445 0.8693 ( 6015 PWs) bands (ev): -17.1073 -17.1073 -17.0602 -17.0602 -16.6391 -16.6391 -16.5260 -16.5260 -12.2610 -12.2610 -12.1300 -12.1300 -10.2704 -10.2704 -10.0919 -10.0919 -7.9207 -7.9207 -7.9107 -7.9107 -6.6828 -6.6828 -6.3602 -6.3602 -5.9522 -5.9522 -5.8058 -5.8058 -5.1932 -5.1932 -5.1896 -5.1896 -4.2746 -4.2746 -4.2454 -4.2454 -3.7444 -3.7444 -3.6641 -3.6641 -2.2902 -2.2902 -2.2585 -2.2585 0.0545 0.0545 0.1012 0.1012 1.1249 1.1249 1.2926 1.2926 6.5402 6.5402 6.7071 6.7071 7.1225 7.1225 7.8108 7.8108 8.4101 8.4101 k = 0.0000 0.2690 0.8693 ( 6014 PWs) bands (ev): -17.1130 -17.1130 -17.0599 -17.0599 -16.6398 -16.6398 -16.5162 -16.5162 -12.2701 -12.2701 -12.1276 -12.1276 -10.2798 -10.2798 -10.0869 -10.0869 -7.9139 -7.9139 -7.9023 -7.9023 -6.7006 -6.7006 -6.3517 -6.3517 -5.9597 -5.9597 -5.8013 -5.8013 -5.1948 -5.1948 -5.1913 -5.1913 -4.2710 -4.2710 -4.2437 -4.2437 -3.7432 -3.7432 -3.6599 -3.6599 -2.2988 -2.2988 -2.2652 -2.2652 0.0553 0.0553 0.1050 0.1050 1.1288 1.1288 1.3065 1.3065 6.5502 6.5502 6.7346 6.7346 7.0776 7.0776 7.8351 7.8351 8.4087 8.4087 k = 0.0000 0.2935 0.8693 ( 6013 PWs) bands (ev): -17.1191 -17.1191 -17.0597 -17.0597 -16.6400 -16.6400 -16.5061 -16.5061 -12.2793 -12.2793 -12.1258 -12.1258 -10.2889 -10.2889 -10.0825 -10.0825 -7.9065 -7.9065 -7.8930 -7.8930 -6.7182 -6.7182 -6.3444 -6.3444 -5.9670 -5.9670 -5.7975 -5.7975 -5.1966 -5.1966 -5.1932 -5.1932 -4.2664 -4.2664 -4.2423 -4.2423 -3.7413 -3.7413 -3.6562 -3.6562 -2.3079 -2.3079 -2.2725 -2.2725 0.0565 0.0565 0.1089 0.1089 1.1340 1.1340 1.3202 1.3202 6.5617 6.5617 6.7641 6.7641 7.0322 7.0322 7.8566 7.8566 8.4091 8.4091 k = 0.0000 0.3179 0.8693 ( 6000 PWs) bands (ev): -17.1255 -17.1255 -17.0596 -17.0596 -16.6397 -16.6397 -16.4958 -16.4958 -12.2885 -12.2885 -12.1243 -12.1243 -10.2974 -10.2974 -10.0785 -10.0785 -7.8985 -7.8985 -7.8830 -7.8830 -6.7356 -6.7356 -6.3385 -6.3385 -5.9741 -5.9741 -5.7945 -5.7945 -5.1985 -5.1985 -5.1951 -5.1951 -4.2610 -4.2610 -4.2412 -4.2412 -3.7386 -3.7386 -3.6530 -3.6530 -2.3174 -2.3174 -2.2804 -2.2804 0.0580 0.0580 0.1126 0.1126 1.1406 1.1406 1.3335 1.3335 6.5746 6.5746 6.7954 6.7954 6.9868 6.9868 7.8745 7.8745 8.4124 8.4124 k = 0.0000 0.3424 0.8693 ( 6003 PWs) bands (ev): -17.1323 -17.1323 -17.0595 -17.0595 -16.6391 -16.6391 -16.4852 -16.4852 -12.2975 -12.2975 -12.1233 -12.1233 -10.3055 -10.3055 -10.0750 -10.0750 -7.8900 -7.8900 -7.8722 -7.8722 -6.7528 -6.7528 -6.3339 -6.3339 -5.9809 -5.9809 -5.7922 -5.7922 -5.2006 -5.2006 -5.1971 -5.1971 -4.2547 -4.2547 -4.2404 -4.2404 -3.7351 -3.7351 -3.6505 -3.6505 -2.3273 -2.3273 -2.2890 -2.2890 0.0598 0.0598 0.1162 0.1162 1.1485 1.1485 1.3462 1.3462 6.5883 6.5883 6.8287 6.8287 6.9421 6.9421 7.8883 7.8883 8.4192 8.4192 k = 0.0000 0.3668 0.8693 ( 6005 PWs) bands (ev): -17.1394 -17.1394 -17.0595 -17.0595 -16.6381 -16.6381 -16.4745 -16.4745 -12.3065 -12.3065 -12.1228 -12.1228 -10.3129 -10.3129 -10.0719 -10.0719 -7.8809 -7.8809 -7.8606 -7.8606 -6.7698 -6.7698 -6.3308 -6.3308 -5.9875 -5.9875 -5.7909 -5.7909 -5.2028 -5.2028 -5.1992 -5.1992 -4.2475 -4.2475 -4.2400 -4.2400 -3.7310 -3.7310 -3.6488 -3.6488 -2.3375 -2.3375 -2.2981 -2.2981 0.0619 0.0619 0.1197 0.1197 1.1576 1.1576 1.3583 1.3583 6.6018 6.6018 6.8639 6.8639 6.8994 6.8994 7.8975 7.8975 8.4303 8.4303 k = 0.0000 0.3913 0.8693 ( 6011 PWs) bands (ev): -17.1469 -17.1469 -17.0595 -17.0595 -16.6368 -16.6368 -16.4636 -16.4636 -12.3153 -12.3153 -12.1226 -12.1226 -10.3198 -10.3198 -10.0691 -10.0691 -7.8713 -7.8713 -7.8482 -7.8482 -6.7866 -6.7866 -6.3290 -6.3290 -5.9937 -5.9937 -5.7905 -5.7905 -5.2052 -5.2052 -5.2013 -5.2013 -4.2399 -4.2399 -4.2395 -4.2395 -3.7263 -3.7263 -3.6477 -3.6477 -2.3482 -2.3482 -2.3077 -2.3077 0.0643 0.0643 0.1230 0.1230 1.1679 1.1679 1.3696 1.3696 6.6134 6.6134 6.8609 6.8609 6.9010 6.9010 7.9020 7.9020 8.4460 8.4460 k = 0.0000 0.4157 0.8693 ( 5999 PWs) bands (ev): -17.1546 -17.1546 -17.0596 -17.0596 -16.6352 -16.6352 -16.4526 -16.4526 -12.3240 -12.3240 -12.1228 -12.1228 -10.3258 -10.3258 -10.0667 -10.0667 -7.8611 -7.8611 -7.8350 -7.8350 -6.8033 -6.8033 -6.3285 -6.3285 -5.9995 -5.9995 -5.7910 -5.7910 -5.2077 -5.2077 -5.2034 -5.2034 -4.2399 -4.2399 -4.2307 -4.2307 -3.7209 -3.7209 -3.6474 -3.6474 -2.3591 -2.3591 -2.3177 -2.3177 0.0669 0.0669 0.1262 0.1262 1.1793 1.1793 1.3801 1.3801 6.6194 6.6194 6.8304 6.8304 6.9398 6.9398 7.9019 7.9019 8.4662 8.4662 k = 0.0000 0.4402 0.8693 ( 6001 PWs) bands (ev): -17.1627 -17.1627 -17.0597 -17.0597 -16.6333 -16.6333 -16.4415 -16.4415 -12.3324 -12.3324 -12.1233 -12.1233 -10.3312 -10.3312 -10.0647 -10.0647 -7.8505 -7.8505 -7.8211 -7.8211 -6.8198 -6.8198 -6.3295 -6.3295 -6.0049 -6.0049 -5.7927 -5.7927 -5.2104 -5.2104 -5.2054 -5.2054 -4.2402 -4.2402 -4.2212 -4.2212 -3.7149 -3.7149 -3.6479 -3.6479 -2.3704 -2.3704 -2.3281 -2.3281 0.0697 0.0697 0.1293 0.1293 1.1917 1.1917 1.3896 1.3896 6.6149 6.6149 6.8134 6.8134 6.9804 6.9804 7.8978 7.8978 8.4907 8.4907 k = 0.0000 0.4646 0.8693 ( 6009 PWs) bands (ev): -17.1711 -17.1711 -17.0598 -17.0598 -16.6312 -16.6312 -16.4302 -16.4302 -12.3405 -12.3405 -12.1243 -12.1243 -10.3357 -10.3357 -10.0628 -10.0628 -7.8395 -7.8395 -7.8065 -7.8065 -6.8363 -6.8363 -6.3318 -6.3318 -6.0098 -6.0098 -5.7955 -5.7955 -5.2133 -5.2133 -5.2074 -5.2074 -4.2408 -4.2408 -4.2109 -4.2109 -3.7084 -3.7084 -3.6493 -3.6493 -2.3820 -2.3820 -2.3388 -2.3388 0.0727 0.0727 0.1321 0.1321 1.2048 1.2048 1.3980 1.3980 6.5967 6.5967 6.8131 6.8131 7.0225 7.0225 7.8904 7.8904 8.5188 8.5188 k = 0.0000 0.4891 0.8693 ( 6009 PWs) bands (ev): -17.1797 -17.1797 -17.0600 -17.0600 -16.6289 -16.6289 -16.4189 -16.4189 -12.3484 -12.3484 -12.1255 -12.1255 -10.3394 -10.3394 -10.0612 -10.0612 -7.8280 -7.8280 -7.7911 -7.7911 -6.8526 -6.8526 -6.3355 -6.3355 -6.0142 -6.0142 -5.7995 -5.7995 -5.2164 -5.2164 -5.2092 -5.2092 -4.2416 -4.2416 -4.1999 -4.1999 -3.7014 -3.7014 -3.6515 -3.6515 -2.3939 -2.3939 -2.3496 -2.3496 0.0759 0.0759 0.1348 0.1348 1.2187 1.2187 1.4053 1.4053 6.5674 6.5674 6.8274 6.8274 7.0662 7.0662 7.8804 7.8804 8.5501 8.5501 k = 0.0000 0.5136 0.8693 ( 6007 PWs) bands (ev): -17.1886 -17.1886 -17.0602 -17.0602 -16.6265 -16.6265 -16.4076 -16.4076 -12.3559 -12.3559 -12.1270 -12.1270 -10.3423 -10.3423 -10.0597 -10.0597 -7.8161 -7.8161 -7.7749 -7.7749 -6.8689 -6.8689 -6.3404 -6.3404 -6.0181 -6.0181 -5.8046 -5.8046 -5.2197 -5.2197 -5.2110 -5.2110 -4.2427 -4.2427 -4.1884 -4.1884 -3.6940 -3.6940 -3.6545 -3.6545 -2.4061 -2.4061 -2.3607 -2.3607 0.0792 0.0792 0.1374 0.1374 1.2332 1.2332 1.4114 1.4114 6.5316 6.5316 6.8517 6.8517 7.1112 7.1112 7.8685 7.8685 8.5838 8.5838 k = 0.0000 0.5380 0.8693 ( 6007 PWs) bands (ev): -17.1977 -17.1977 -17.0604 -17.0604 -16.6239 -16.6239 -16.3962 -16.3962 -12.3630 -12.3630 -12.1288 -12.1288 -10.3442 -10.3442 -10.0583 -10.0583 -7.8038 -7.8038 -7.7581 -7.7581 -6.8852 -6.8852 -6.3465 -6.3465 -6.0214 -6.0214 -5.8110 -5.8110 -5.2231 -5.2231 -5.2127 -5.2127 -4.2440 -4.2440 -4.1764 -4.1764 -3.6862 -3.6862 -3.6584 -3.6584 -2.4186 -2.4186 -2.3718 -2.3718 0.0826 0.0826 0.1397 0.1397 1.2481 1.2481 1.4161 1.4161 6.4931 6.4931 6.8825 6.8825 7.1575 7.1575 7.8555 7.8555 8.6194 8.6194 k = 0.0000 0.5380 0.8693 ( 6007 PWs) bands (ev): -17.1977 -17.1977 -17.0604 -17.0604 -16.6239 -16.6239 -16.3962 -16.3962 -12.3630 -12.3630 -12.1288 -12.1288 -10.3442 -10.3442 -10.0583 -10.0583 -7.8038 -7.8038 -7.7581 -7.7581 -6.8852 -6.8852 -6.3465 -6.3465 -6.0214 -6.0214 -5.8110 -5.8110 -5.2231 -5.2231 -5.2127 -5.2127 -4.2440 -4.2440 -4.1764 -4.1764 -3.6862 -3.6862 -3.6584 -3.6584 -2.4186 -2.4186 -2.3718 -2.3718 0.0826 0.0826 0.1397 0.1397 1.2481 1.2481 1.4161 1.4161 6.4931 6.4931 6.8825 6.8825 7.1575 7.1575 7.8555 7.8555 8.6194 8.6194 k = 0.0000 0.5507 0.8487 ( 6006 PWs) bands (ev): -17.2025 -17.2025 -17.0739 -17.0739 -16.6067 -16.6067 -16.3892 -16.3892 -12.3632 -12.3632 -12.1387 -12.1387 -10.3390 -10.3390 -10.0613 -10.0613 -7.7784 -7.7784 -7.7491 -7.7491 -6.8940 -6.8940 -6.3757 -6.3757 -6.0326 -6.0326 -5.8167 -5.8167 -5.2346 -5.2346 -5.2165 -5.2165 -4.2379 -4.2379 -4.1767 -4.1767 -3.6842 -3.6842 -3.6507 -3.6507 -2.4142 -2.4142 -2.3738 -2.3738 0.0862 0.0862 0.1596 0.1596 1.2607 1.2607 1.4113 1.4113 6.4917 6.4917 6.9602 6.9602 7.1423 7.1423 7.8408 7.8408 8.6548 8.6548 k = 0.0000 0.5633 0.8281 ( 6002 PWs) bands (ev): -17.2075 -17.2075 -17.0872 -17.0872 -16.5893 -16.5893 -16.3824 -16.3824 -12.3632 -12.3632 -12.1489 -12.1489 -10.3330 -10.3330 -10.0645 -10.0645 -7.7518 -7.7518 -7.7385 -7.7385 -6.9037 -6.9037 -6.4063 -6.4063 -6.0437 -6.0437 -5.8240 -5.8240 -5.2456 -5.2456 -5.2204 -5.2204 -4.2323 -4.2323 -4.1768 -4.1768 -3.6814 -3.6814 -3.6436 -3.6436 -2.4103 -2.4103 -2.3759 -2.3759 0.0908 0.0908 0.1788 0.1788 1.2731 1.2731 1.4061 1.4061 6.4927 6.4927 7.0402 7.0402 7.1270 7.1270 7.8286 7.8286 8.6897 8.6897 k = 0.0000 0.5760 0.8075 ( 5998 PWs) bands (ev): -17.2125 -17.2125 -17.1004 -17.1004 -16.5718 -16.5718 -16.3758 -16.3758 -12.3631 -12.3631 -12.1593 -12.1593 -10.3263 -10.3263 -10.0681 -10.0681 -7.7264 -7.7264 -7.7240 -7.7240 -6.9142 -6.9142 -6.4383 -6.4383 -6.0543 -6.0543 -5.8330 -5.8330 -5.2560 -5.2560 -5.2245 -5.2245 -4.2273 -4.2273 -4.1767 -4.1767 -3.6781 -3.6781 -3.6371 -3.6371 -2.4069 -2.4069 -2.3780 -2.3780 0.0964 0.0964 0.1973 0.1973 1.2850 1.2850 1.4008 1.4008 6.4961 6.4961 7.1113 7.1113 7.1221 7.1221 7.8191 7.8191 8.7161 8.7161 k = 0.0000 0.5886 0.7869 ( 5992 PWs) bands (ev): -17.2174 -17.2174 -17.1132 -17.1132 -16.5545 -16.5545 -16.3695 -16.3695 -12.3627 -12.3627 -12.1699 -12.1699 -10.3190 -10.3190 -10.0720 -10.0720 -7.7127 -7.7127 -7.6952 -7.6952 -6.9256 -6.9256 -6.4714 -6.4714 -6.0644 -6.0644 -5.8434 -5.8434 -5.2658 -5.2658 -5.2286 -5.2286 -4.2227 -4.2227 -4.1766 -4.1766 -3.6742 -3.6742 -3.6311 -3.6311 -2.4039 -2.4039 -2.3801 -2.3801 0.1029 0.1029 0.2147 0.2147 1.2964 1.2964 1.3954 1.3954 6.5018 6.5018 7.0952 7.0952 7.2055 7.2055 7.8126 7.8126 8.7156 8.7156 k = 0.0000 0.6013 0.7663 ( 5998 PWs) bands (ev): -17.2221 -17.2221 -17.1257 -17.1257 -16.5373 -16.5373 -16.3636 -16.3636 -12.3621 -12.3621 -12.1805 -12.1805 -10.3110 -10.3110 -10.0762 -10.0762 -7.6975 -7.6975 -7.6656 -7.6656 -6.9380 -6.9380 -6.5057 -6.5057 -6.0738 -6.0738 -5.8551 -5.8551 -5.2747 -5.2747 -5.2329 -5.2329 -4.2186 -4.2186 -4.1765 -4.1765 -3.6699 -3.6699 -3.6258 -3.6258 -2.4014 -2.4014 -2.3821 -2.3821 0.1104 0.1104 0.2309 0.2309 1.3072 1.3072 1.3901 1.3901 6.5097 6.5097 7.0783 7.0783 7.2901 7.2901 7.8095 7.8095 8.7162 8.7162 k = 0.0000 0.6139 0.7457 ( 5990 PWs) bands (ev): -17.2266 -17.2266 -17.1378 -17.1378 -16.5203 -16.5203 -16.3583 -16.3583 -12.3612 -12.3612 -12.1912 -12.1912 -10.3025 -10.3025 -10.0809 -10.0809 -7.6809 -7.6809 -7.6353 -7.6353 -6.9512 -6.9512 -6.5408 -6.5408 -6.0824 -6.0824 -5.8680 -5.8680 -5.2827 -5.2827 -5.2373 -5.2373 -4.2149 -4.2149 -4.1763 -4.1763 -3.6651 -3.6651 -3.6211 -3.6211 -2.3993 -2.3993 -2.3840 -2.3840 0.1187 0.1187 0.2456 0.2456 1.3172 1.3172 1.3850 1.3850 6.5196 6.5196 7.0606 7.0606 7.3753 7.3753 7.8098 7.8098 8.7173 8.7173 k = 0.0000 0.6266 0.7251 ( 5984 PWs) bands (ev): -17.2308 -17.2308 -17.1494 -17.1494 -16.5038 -16.5038 -16.3535 -16.3535 -12.3600 -12.3600 -12.2018 -12.2018 -10.2936 -10.2936 -10.0859 -10.0859 -7.6629 -7.6629 -7.6045 -7.6045 -6.9652 -6.9652 -6.5768 -6.5768 -6.0899 -6.0899 -5.8819 -5.8819 -5.2897 -5.2897 -5.2417 -5.2417 -4.2117 -4.2117 -4.1763 -4.1763 -3.6602 -3.6602 -3.6169 -3.6169 -2.3975 -2.3975 -2.3857 -2.3857 0.1279 0.1279 0.2587 0.2587 1.3263 1.3263 1.3802 1.3802 6.5315 6.5315 7.0420 7.0420 7.4608 7.4608 7.8136 7.8136 8.7178 8.7178 k = 0.0000 0.6392 0.7045 ( 5990 PWs) bands (ev): -17.2346 -17.2346 -17.1604 -17.1604 -16.4878 -16.4878 -16.3494 -16.3494 -12.3584 -12.3584 -12.2124 -12.2124 -10.2844 -10.2844 -10.0913 -10.0913 -7.6436 -7.6436 -7.5734 -7.5734 -6.9799 -6.9799 -6.6134 -6.6134 -6.0962 -6.0962 -5.8966 -5.8966 -5.2956 -5.2956 -5.2463 -5.2463 -4.2087 -4.2087 -4.1764 -4.1764 -3.6550 -3.6550 -3.6133 -3.6133 -2.3961 -2.3961 -2.3873 -2.3873 0.1379 0.1379 0.2700 0.2700 1.3346 1.3346 1.3760 1.3760 6.5450 6.5450 7.0224 7.0224 7.5460 7.5460 7.8211 7.8211 8.7155 8.7155 k = 0.0000 0.6518 0.6839 ( 5999 PWs) bands (ev): -17.2380 -17.2380 -17.1709 -17.1709 -16.4723 -16.4723 -16.3461 -16.3461 -12.3564 -12.3564 -12.2228 -12.2228 -10.2748 -10.2748 -10.0971 -10.0971 -7.6232 -7.6232 -7.5425 -7.5425 -6.9949 -6.9949 -6.6505 -6.6505 -6.1011 -6.1011 -5.9120 -5.9120 -5.3005 -5.3005 -5.2510 -5.2510 -4.2061 -4.2061 -4.1768 -4.1768 -3.6498 -3.6498 -3.6102 -3.6102 -2.3950 -2.3950 -2.3888 -2.3888 0.1486 0.1486 0.2794 0.2794 1.3419 1.3419 1.3723 1.3723 6.5601 6.5601 7.0019 7.0019 7.6301 7.6301 7.8322 7.8322 8.7068 8.7068 k = 0.0000 0.6645 0.6633 ( 6010 PWs) bands (ev): -17.2409 -17.2409 -17.1809 -17.1809 -16.4575 -16.4575 -16.3435 -16.3435 -12.3541 -12.3541 -12.2332 -12.2332 -10.2650 -10.2650 -10.1033 -10.1033 -7.6018 -7.6018 -7.5120 -7.5120 -7.0101 -7.0101 -6.6880 -6.6880 -6.1046 -6.1046 -5.9278 -5.9278 -5.3043 -5.3043 -5.2558 -5.2558 -4.2037 -4.2037 -4.1772 -4.1772 -3.6445 -3.6445 -3.6076 -3.6076 -2.3941 -2.3941 -2.3900 -2.3900 0.1598 0.1598 0.2868 0.2868 1.3482 1.3482 1.3692 1.3692 6.5767 6.5767 6.9805 6.9805 7.7123 7.7123 7.8467 7.8467 8.6888 8.6888 k = 0.0000 0.6771 0.6427 ( 6024 PWs) bands (ev): -17.2432 -17.2432 -17.1901 -17.1901 -16.4433 -16.4433 -16.3417 -16.3417 -12.3513 -12.3513 -12.2432 -12.2432 -10.2551 -10.2551 -10.1100 -10.1100 -7.5794 -7.5794 -7.4827 -7.4827 -7.0248 -7.0248 -6.7257 -6.7257 -6.1066 -6.1066 -5.9440 -5.9440 -5.3070 -5.3070 -5.2607 -5.2607 -4.2015 -4.2015 -4.1779 -4.1779 -3.6394 -3.6394 -3.6056 -3.6056 -2.3935 -2.3935 -2.3911 -2.3911 0.1716 0.1716 0.2921 0.2921 1.3536 1.3536 1.3668 1.3668 6.5945 6.5945 6.9583 6.9583 7.7915 7.7915 7.8645 7.8645 8.6619 8.6619 k = 0.0000 0.6898 0.6221 ( 6034 PWs) bands (ev): -17.2450 -17.2450 -17.1988 -17.1988 -16.4300 -16.4300 -16.3408 -16.3408 -12.3481 -12.3481 -12.2531 -12.2531 -10.2450 -10.2450 -10.1170 -10.1170 -7.5564 -7.5564 -7.4552 -7.4552 -7.0383 -7.0383 -6.7634 -6.7634 -6.1068 -6.1068 -5.9602 -5.9602 -5.3088 -5.3088 -5.2656 -5.2656 -4.1995 -4.1995 -4.1787 -4.1787 -3.6343 -3.6343 -3.6041 -3.6041 -2.3932 -2.3932 -2.3920 -2.3920 0.1837 0.1837 0.2953 0.2953 1.3579 1.3579 1.3651 1.3651 6.6135 6.6135 6.9355 6.9355 7.8663 7.8663 7.8854 7.8854 8.6304 8.6304 k = 0.0000 0.7024 0.6015 ( 6038 PWs) bands (ev): -17.2462 -17.2462 -17.2067 -17.2067 -16.4174 -16.4174 -16.3408 -16.3408 -12.3444 -12.3444 -12.2626 -12.2626 -10.2349 -10.2349 -10.1243 -10.1243 -7.5329 -7.5329 -7.4305 -7.4305 -7.0494 -7.0494 -6.8009 -6.8009 -6.1054 -6.1054 -5.9765 -5.9765 -5.3095 -5.3095 -5.2705 -5.2705 -4.1976 -4.1976 -4.1797 -4.1797 -3.6295 -3.6295 -3.6031 -3.6031 -2.3930 -2.3930 -2.3926 -2.3926 0.1960 0.1960 0.2964 0.2964 1.3613 1.3613 1.3641 1.3641 6.6334 6.6334 6.9121 6.9121 7.9089 7.9089 7.9347 7.9347 8.5989 8.5989 k = 0.0000 0.7151 0.5809 ( 6048 PWs) bands (ev): -17.2468 -17.2468 -17.2139 -17.2139 -16.4057 -16.4057 -16.3417 -16.3417 -12.3402 -12.3402 -12.2718 -12.2718 -10.2247 -10.2247 -10.1321 -10.1321 -7.5092 -7.5092 -7.4101 -7.4101 -7.0570 -7.0570 -6.8380 -6.8380 -6.1023 -6.1023 -5.9924 -5.9924 -5.3094 -5.3094 -5.2755 -5.2755 -4.1959 -4.1959 -4.1807 -4.1807 -3.6249 -3.6249 -3.6026 -3.6026 -2.3931 -2.3931 -2.3929 -2.3929 0.2084 0.2084 0.2955 0.2955 1.3635 1.3635 1.3640 1.3640 6.6542 6.6542 6.8883 6.8883 7.9348 7.9348 7.9940 7.9940 8.5720 8.5720 k = 0.0000 0.7277 0.5603 ( 6052 PWs) bands (ev): -17.2467 -17.2467 -17.2204 -17.2204 -16.3949 -16.3949 -16.3436 -16.3436 -12.3355 -12.3355 -12.2806 -12.2806 -10.2146 -10.2146 -10.1401 -10.1401 -7.4858 -7.4858 -7.3953 -7.3953 -7.0593 -7.0593 -6.8743 -6.8743 -6.0974 -6.0974 -6.0080 -6.0080 -5.3084 -5.3084 -5.2803 -5.2803 -4.1942 -4.1942 -4.1820 -4.1820 -3.6207 -3.6207 -3.6026 -3.6026 -2.3935 -2.3935 -2.3930 -2.3930 0.2207 0.2207 0.2927 0.2927 1.3636 1.3636 1.3656 1.3656 6.6758 6.6758 6.8643 6.8643 7.9623 7.9623 8.0408 8.0408 8.5541 8.5541 k = 0.0000 0.7404 0.5397 ( 6058 PWs) bands (ev): -17.2459 -17.2459 -17.2263 -17.2263 -16.3850 -16.3850 -16.3465 -16.3465 -12.3303 -12.3303 -12.2891 -12.2891 -10.2046 -10.2046 -10.1486 -10.1486 -7.4629 -7.4629 -7.3874 -7.3874 -7.0552 -7.0552 -6.9095 -6.9095 -6.0910 -6.0910 -6.0229 -6.0229 -5.3066 -5.3066 -5.2850 -5.2850 -4.1925 -4.1925 -4.1833 -4.1833 -3.6168 -3.6168 -3.6032 -3.6032 -2.3937 -2.3937 -2.3931 -2.3931 0.2327 0.2327 0.2881 0.2881 1.3640 1.3640 1.3665 1.3665 6.6981 6.6981 6.8401 6.8401 7.9908 7.9908 8.0718 8.0718 8.5490 8.5490 k = 0.0000 0.7530 0.5190 ( 6064 PWs) bands (ev): -17.2444 -17.2444 -17.2313 -17.2313 -16.3761 -16.3761 -16.3505 -16.3505 -12.3246 -12.3246 -12.2971 -12.2971 -10.1948 -10.1948 -10.1573 -10.1573 -7.4413 -7.4413 -7.3869 -7.3869 -7.0440 -7.0440 -6.9431 -6.9431 -6.0829 -6.0829 -6.0371 -6.0371 -5.3042 -5.3042 -5.2895 -5.2895 -4.1909 -4.1909 -4.1847 -4.1847 -3.6134 -3.6134 -3.6042 -3.6042 -2.3937 -2.3937 -2.3932 -2.3932 0.2443 0.2443 0.2819 0.2819 1.3647 1.3647 1.3669 1.3669 6.7209 6.7209 6.8159 6.8159 8.0191 8.0191 8.0852 8.0852 8.5587 8.5587 k = 0.0000 0.7657 0.4984 ( 6062 PWs) bands (ev): -17.2422 -17.2422 -17.2357 -17.2357 -16.3682 -16.3682 -16.3554 -16.3554 -12.3185 -12.3185 -12.3047 -12.3047 -10.1851 -10.1851 -10.1663 -10.1663 -7.4218 -7.4218 -7.3932 -7.3932 -7.0261 -7.0261 -6.9744 -6.9744 -6.0734 -6.0734 -6.0503 -6.0503 -5.3012 -5.3012 -5.2938 -5.2938 -4.1893 -4.1893 -4.1862 -4.1862 -3.6104 -3.6104 -3.6058 -3.6058 -2.3937 -2.3937 -2.3934 -2.3934 0.2552 0.2552 0.2742 0.2742 1.3655 1.3655 1.3667 1.3667 6.7442 6.7442 6.7918 6.7918 8.0456 8.0456 8.0826 8.0826 8.5818 8.5818 k = 0.0000 0.7783 0.4778 ( 6060 PWs) bands (ev): -17.2393 -17.2393 -17.2393 -17.2393 -16.3613 -16.3613 -16.3613 -16.3613 -12.3118 -12.3118 -12.3118 -12.3118 -10.1756 -10.1756 -10.1756 -10.1756 -7.4053 -7.4053 -7.4053 -7.4053 -7.0024 -7.0024 -7.0024 -7.0024 -6.0625 -6.0625 -6.0625 -6.0625 -5.2977 -5.2977 -5.2977 -5.2977 -4.1877 -4.1877 -4.1877 -4.1877 -3.6078 -3.6078 -3.6078 -3.6078 -2.3936 -2.3936 -2.3936 -2.3936 0.2652 0.2652 0.2652 0.2652 1.3662 1.3662 1.3662 1.3662 6.7679 6.7679 6.7679 6.7679 8.0679 8.0679 8.0679 8.0679 8.6144 8.6144 k = 0.0000 0.7783 0.4778 ( 6060 PWs) bands (ev): -17.2393 -17.2393 -17.2393 -17.2393 -16.3613 -16.3613 -16.3613 -16.3613 -12.3118 -12.3118 -12.3118 -12.3118 -10.1756 -10.1756 -10.1756 -10.1756 -7.4053 -7.4053 -7.4053 -7.4053 -7.0024 -7.0024 -7.0024 -7.0024 -6.0625 -6.0625 -6.0625 -6.0625 -5.2977 -5.2977 -5.2977 -5.2977 -4.1877 -4.1877 -4.1877 -4.1877 -3.6078 -3.6078 -3.6078 -3.6078 -2.3936 -2.3936 -2.3936 -2.3936 0.2652 0.2652 0.2652 0.2652 1.3662 1.3662 1.3662 1.3662 6.7679 6.7679 6.7679 6.7679 8.0679 8.0679 8.0679 8.0679 8.6144 8.6144 k = 0.0238 0.7783 0.4778 ( 6060 PWs) bands (ev): -17.2393 -17.2393 -17.2393 -17.2393 -16.3613 -16.3613 -16.3613 -16.3613 -12.3118 -12.3118 -12.3118 -12.3118 -10.1756 -10.1756 -10.1756 -10.1756 -7.4053 -7.4053 -7.4053 -7.4053 -7.0022 -7.0022 -7.0021 -7.0021 -6.0627 -6.0627 -6.0626 -6.0626 -5.2981 -5.2981 -5.2981 -5.2981 -4.1874 -4.1874 -4.1872 -4.1872 -3.6081 -3.6081 -3.6080 -3.6080 -2.3935 -2.3935 -2.3935 -2.3935 0.2651 0.2651 0.2652 0.2652 1.3664 1.3664 1.3664 1.3664 6.7689 6.7689 6.7690 6.7690 8.0635 8.0635 8.0637 8.0637 8.6173 8.6174 k = 0.0476 0.7783 0.4778 ( 6058 PWs) bands (ev): -17.2393 -17.2393 -17.2393 -17.2393 -16.3613 -16.3613 -16.3613 -16.3613 -12.3118 -12.3118 -12.3118 -12.3118 -10.1757 -10.1757 -10.1757 -10.1757 -7.4051 -7.4051 -7.4051 -7.4051 -7.0013 -7.0013 -7.0012 -7.0012 -6.0633 -6.0633 -6.0632 -6.0632 -5.2994 -5.2994 -5.2993 -5.2993 -4.1862 -4.1862 -4.1859 -4.1859 -3.6088 -3.6088 -3.6087 -3.6087 -2.3933 -2.3933 -2.3932 -2.3932 0.2647 0.2647 0.2649 0.2649 1.3668 1.3668 1.3668 1.3668 6.7721 6.7721 6.7722 6.7722 8.0507 8.0507 8.0511 8.0511 8.6259 8.6261 k = 0.0714 0.7783 0.4778 ( 6052 PWs) bands (ev): -17.2393 -17.2393 -17.2393 -17.2393 -16.3613 -16.3613 -16.3613 -16.3613 -12.3118 -12.3118 -12.3118 -12.3118 -10.1758 -10.1758 -10.1758 -10.1758 -7.4048 -7.4048 -7.4048 -7.4048 -6.9999 -6.9999 -6.9997 -6.9997 -6.0642 -6.0642 -6.0641 -6.0641 -5.3014 -5.3014 -5.3014 -5.3014 -4.1842 -4.1842 -4.1837 -4.1837 -3.6101 -3.6101 -3.6099 -3.6099 -2.3930 -2.3930 -2.3928 -2.3928 0.2641 0.2641 0.2644 0.2644 1.3676 1.3676 1.3676 1.3676 6.7775 6.7775 6.7777 6.7777 8.0305 8.0305 8.0310 8.0310 8.6393 8.6396 k = 0.0952 0.7783 0.4778 ( 6048 PWs) bands (ev): -17.2393 -17.2393 -17.2393 -17.2393 -16.3613 -16.3613 -16.3613 -16.3613 -12.3119 -12.3119 -12.3118 -12.3118 -10.1760 -10.1760 -10.1760 -10.1760 -7.4043 -7.4043 -7.4043 -7.4043 -6.9979 -6.9979 -6.9977 -6.9977 -6.0656 -6.0656 -6.0654 -6.0654 -5.3042 -5.3042 -5.3041 -5.3041 -4.1814 -4.1814 -4.1808 -4.1808 -3.6118 -3.6118 -3.6116 -3.6116 -2.3925 -2.3925 -2.3922 -2.3922 0.2634 0.2634 0.2637 0.2637 1.3686 1.3686 1.3686 1.3686 6.7850 6.7850 6.7852 6.7852 8.0041 8.0041 8.0048 8.0048 8.6561 8.6563 k = 0.1190 0.7783 0.4778 ( 6046 PWs) bands (ev): -17.2392 -17.2392 -17.2392 -17.2392 -16.3614 -16.3614 -16.3613 -16.3613 -12.3119 -12.3119 -12.3118 -12.3118 -10.1763 -10.1763 -10.1762 -10.1762 -7.4038 -7.4038 -7.4038 -7.4038 -6.9954 -6.9954 -6.9951 -6.9951 -6.0672 -6.0672 -6.0670 -6.0670 -5.3076 -5.3076 -5.3075 -5.3075 -4.1780 -4.1780 -4.1772 -4.1772 -3.6139 -3.6139 -3.6136 -3.6136 -2.3919 -2.3919 -2.3915 -2.3915 0.2624 0.2624 0.2629 0.2629 1.3699 1.3699 1.3699 1.3699 6.7946 6.7946 6.7949 6.7949 7.9728 7.9728 7.9736 7.9736 8.6750 8.6755 k = 0.1429 0.7783 0.4778 ( 6040 PWs) bands (ev): -17.2392 -17.2392 -17.2392 -17.2392 -16.3614 -16.3614 -16.3614 -16.3614 -12.3119 -12.3119 -12.3118 -12.3118 -10.1766 -10.1766 -10.1765 -10.1765 -7.4031 -7.4031 -7.4031 -7.4031 -6.9925 -6.9925 -6.9922 -6.9922 -6.0692 -6.0692 -6.0689 -6.0689 -5.3117 -5.3117 -5.3116 -5.3116 -4.1738 -4.1738 -4.1729 -4.1729 -3.6164 -3.6164 -3.6161 -3.6161 -2.3912 -2.3912 -2.3908 -2.3908 0.2613 0.2613 0.2619 0.2619 1.3714 1.3714 1.3714 1.3714 6.8063 6.8063 6.8065 6.8065 7.9377 7.9377 7.9386 7.9386 8.6951 8.6952 k = 0.1667 0.7783 0.4778 ( 6036 PWs) bands (ev): -17.2392 -17.2392 -17.2392 -17.2392 -16.3614 -16.3614 -16.3614 -16.3614 -12.3119 -12.3119 -12.3118 -12.3118 -10.1769 -10.1769 -10.1769 -10.1769 -7.4023 -7.4023 -7.4023 -7.4023 -6.9892 -6.9892 -6.9889 -6.9889 -6.0713 -6.0713 -6.0710 -6.0710 -5.3162 -5.3162 -5.3161 -5.3161 -4.1692 -4.1692 -4.1681 -4.1681 -3.6192 -3.6192 -3.6189 -3.6189 -2.3904 -2.3904 -2.3899 -2.3899 0.2601 0.2601 0.2607 0.2607 1.3731 1.3731 1.3731 1.3731 6.8199 6.8199 6.8202 6.8202 7.8998 7.8998 7.9007 7.9007 8.7153 8.7154 k = 0.1905 0.7783 0.4778 ( 6032 PWs) bands (ev): -17.2391 -17.2391 -17.2391 -17.2391 -16.3615 -16.3615 -16.3615 -16.3615 -12.3120 -12.3120 -12.3119 -12.3119 -10.1773 -10.1773 -10.1772 -10.1772 -7.4015 -7.4015 -7.4015 -7.4015 -6.9856 -6.9856 -6.9852 -6.9852 -6.0737 -6.0737 -6.0733 -6.0733 -5.3212 -5.3212 -5.3211 -5.3211 -4.1641 -4.1641 -4.1629 -4.1629 -3.6224 -3.6224 -3.6220 -3.6220 -2.3895 -2.3895 -2.3889 -2.3889 0.2588 0.2588 0.2595 0.2595 1.3749 1.3749 1.3749 1.3749 6.8355 6.8355 6.8358 6.8358 7.8599 7.8599 7.8608 7.8608 8.7349 8.7352 k = 0.2143 0.7783 0.4778 ( 6028 PWs) bands (ev): -17.2391 -17.2391 -17.2391 -17.2391 -16.3615 -16.3615 -16.3615 -16.3615 -12.3120 -12.3120 -12.3119 -12.3119 -10.1777 -10.1777 -10.1776 -10.1776 -7.4006 -7.4006 -7.4006 -7.4006 -6.9818 -6.9818 -6.9813 -6.9813 -6.0762 -6.0762 -6.0758 -6.0758 -5.3265 -5.3265 -5.3263 -5.3263 -4.1586 -4.1586 -4.1573 -4.1573 -3.6258 -3.6258 -3.6254 -3.6254 -2.3885 -2.3885 -2.3879 -2.3879 0.2574 0.2574 0.2581 0.2581 1.3769 1.3769 1.3769 1.3769 6.8528 6.8528 6.8532 6.8532 7.8186 7.8186 7.8196 7.8196 8.7534 8.7535 k = 0.2381 0.7783 0.4778 ( 6020 PWs) bands (ev): -17.2390 -17.2390 -17.2390 -17.2390 -16.3616 -16.3616 -16.3616 -16.3616 -12.3120 -12.3120 -12.3119 -12.3119 -10.1781 -10.1781 -10.1780 -10.1780 -7.3997 -7.3997 -7.3997 -7.3997 -6.9778 -6.9778 -6.9773 -6.9773 -6.0788 -6.0788 -6.0783 -6.0783 -5.3320 -5.3320 -5.3318 -5.3318 -4.1528 -4.1528 -4.1514 -4.1514 -3.6293 -3.6293 -3.6289 -3.6289 -2.3875 -2.3875 -2.3869 -2.3869 0.2559 0.2559 0.2568 0.2568 1.3789 1.3789 1.3789 1.3789 6.8719 6.8719 6.8724 6.8724 7.7765 7.7765 7.7775 7.7775 8.7705 8.7707 k = 0.2619 0.7783 0.4778 ( 6022 PWs) bands (ev): -17.2390 -17.2390 -17.2390 -17.2390 -16.3617 -16.3617 -16.3616 -16.3616 -12.3120 -12.3120 -12.3119 -12.3119 -10.1785 -10.1785 -10.1784 -10.1784 -7.3988 -7.3988 -7.3987 -7.3987 -6.9737 -6.9737 -6.9733 -6.9733 -6.0814 -6.0814 -6.0809 -6.0809 -5.3375 -5.3375 -5.3373 -5.3373 -4.1470 -4.1470 -4.1455 -4.1455 -3.6330 -3.6330 -3.6325 -3.6325 -2.3866 -2.3866 -2.3859 -2.3859 0.2545 0.2545 0.2554 0.2554 1.3809 1.3809 1.3809 1.3809 6.8926 6.8926 6.8931 6.8931 7.7340 7.7340 7.7350 7.7350 8.7861 8.7865 k = 0.2857 0.7783 0.4778 ( 6018 PWs) bands (ev): -17.2389 -17.2389 -17.2389 -17.2389 -16.3617 -16.3617 -16.3617 -16.3617 -12.3121 -12.3121 -12.3119 -12.3119 -10.1789 -10.1789 -10.1788 -10.1788 -7.3978 -7.3978 -7.3978 -7.3978 -6.9697 -6.9697 -6.9692 -6.9692 -6.0840 -6.0840 -6.0835 -6.0835 -5.3429 -5.3429 -5.3427 -5.3427 -4.1412 -4.1412 -4.1396 -4.1396 -3.6367 -3.6367 -3.6362 -3.6362 -2.3856 -2.3856 -2.3849 -2.3849 0.2530 0.2530 0.2540 0.2540 1.3829 1.3829 1.3829 1.3829 6.9147 6.9147 6.9152 6.9152 7.6916 7.6916 7.6927 7.6927 8.7999 8.8001 k = 0.3095 0.7783 0.4778 ( 6016 PWs) bands (ev): -17.2389 -17.2389 -17.2389 -17.2389 -16.3618 -16.3618 -16.3617 -16.3617 -12.3121 -12.3121 -12.3119 -12.3119 -10.1793 -10.1793 -10.1792 -10.1792 -7.3969 -7.3969 -7.3969 -7.3969 -6.9659 -6.9659 -6.9653 -6.9653 -6.0865 -6.0865 -6.0859 -6.0859 -5.3482 -5.3482 -5.3480 -5.3480 -4.1356 -4.1356 -4.1338 -4.1338 -3.6403 -3.6403 -3.6398 -3.6398 -2.3847 -2.3847 -2.3839 -2.3839 0.2517 0.2517 0.2527 0.2527 1.3848 1.3848 1.3848 1.3848 6.9379 6.9379 6.9384 6.9384 7.6498 7.6498 7.6509 7.6509 8.8120 8.8121 k = 0.3333 0.7783 0.4778 ( 6018 PWs) bands (ev): -17.2388 -17.2388 -17.2388 -17.2388 -16.3618 -16.3618 -16.3618 -16.3618 -12.3121 -12.3121 -12.3120 -12.3120 -10.1797 -10.1797 -10.1796 -10.1796 -7.3960 -7.3960 -7.3960 -7.3960 -6.9622 -6.9622 -6.9617 -6.9617 -6.0889 -6.0889 -6.0883 -6.0883 -5.3532 -5.3532 -5.3529 -5.3529 -4.1302 -4.1302 -4.1284 -4.1284 -3.6438 -3.6438 -3.6433 -3.6433 -2.3838 -2.3838 -2.3830 -2.3830 0.2504 0.2504 0.2514 0.2514 1.3866 1.3866 1.3866 1.3866 6.9620 6.9620 6.9626 6.9626 7.6089 7.6089 7.6100 7.6100 8.8225 8.8227 k = 0.3571 0.7783 0.4778 ( 6026 PWs) bands (ev): -17.2388 -17.2388 -17.2388 -17.2388 -16.3619 -16.3619 -16.3619 -16.3619 -12.3122 -12.3122 -12.3120 -12.3120 -10.1800 -10.1800 -10.1799 -10.1799 -7.3952 -7.3952 -7.3952 -7.3952 -6.9589 -6.9589 -6.9583 -6.9583 -6.0911 -6.0911 -6.0904 -6.0904 -5.3578 -5.3578 -5.3575 -5.3575 -4.1252 -4.1252 -4.1233 -4.1233 -3.6470 -3.6470 -3.6465 -3.6465 -2.3830 -2.3830 -2.3821 -2.3821 0.2492 0.2492 0.2503 0.2503 1.3882 1.3882 1.3883 1.3883 6.9866 6.9866 6.9872 6.9872 7.5696 7.5696 7.5707 7.5707 8.8313 8.8318 k = 0.3810 0.7783 0.4778 ( 6026 PWs) bands (ev): -17.2388 -17.2388 -17.2388 -17.2388 -16.3619 -16.3619 -16.3619 -16.3619 -12.3122 -12.3122 -12.3120 -12.3120 -10.1803 -10.1803 -10.1802 -10.1802 -7.3945 -7.3945 -7.3945 -7.3945 -6.9559 -6.9559 -6.9553 -6.9553 -6.0930 -6.0930 -6.0923 -6.0923 -5.3619 -5.3619 -5.3615 -5.3615 -4.1207 -4.1207 -4.1187 -4.1187 -3.6500 -3.6500 -3.6495 -3.6495 -2.3823 -2.3823 -2.3814 -2.3814 0.2481 0.2481 0.2493 0.2493 1.3897 1.3897 1.3897 1.3897 7.0111 7.0111 7.0117 7.0117 7.5326 7.5326 7.5337 7.5337 8.8387 8.8392 k = 0.4048 0.7783 0.4778 ( 6022 PWs) bands (ev): -17.2387 -17.2387 -17.2387 -17.2387 -16.3620 -16.3620 -16.3619 -16.3619 -12.3122 -12.3122 -12.3120 -12.3120 -10.1806 -10.1806 -10.1805 -10.1805 -7.3939 -7.3939 -7.3938 -7.3938 -6.9533 -6.9533 -6.9527 -6.9527 -6.0946 -6.0946 -6.0939 -6.0939 -5.3653 -5.3653 -5.3650 -5.3650 -4.1169 -4.1169 -4.1149 -4.1149 -3.6525 -3.6525 -3.6520 -3.6520 -2.3817 -2.3817 -2.3808 -2.3808 0.2472 0.2472 0.2484 0.2484 1.3909 1.3909 1.3910 1.3910 7.0346 7.0346 7.0352 7.0352 7.4987 7.4987 7.4998 7.4998 8.8446 8.8449 k = 0.4286 0.7783 0.4778 ( 6016 PWs) bands (ev): -17.2387 -17.2387 -17.2387 -17.2387 -16.3620 -16.3620 -16.3620 -16.3620 -12.3122 -12.3122 -12.3120 -12.3120 -10.1808 -10.1808 -10.1807 -10.1807 -7.3934 -7.3934 -7.3933 -7.3933 -6.9512 -6.9512 -6.9506 -6.9506 -6.0959 -6.0959 -6.0952 -6.0952 -5.3681 -5.3681 -5.3677 -5.3677 -4.1138 -4.1138 -4.1117 -4.1117 -3.6545 -3.6545 -3.6540 -3.6540 -2.3812 -2.3812 -2.3803 -2.3803 0.2465 0.2465 0.2477 0.2477 1.3920 1.3920 1.3920 1.3920 7.0559 7.0559 7.0566 7.0566 7.4692 7.4692 7.4703 7.4703 8.8491 8.8495 k = 0.4524 0.7783 0.4778 ( 6006 PWs) bands (ev): -17.2387 -17.2387 -17.2387 -17.2387 -16.3620 -16.3620 -16.3620 -16.3620 -12.3122 -12.3122 -12.3120 -12.3120 -10.1809 -10.1809 -10.1808 -10.1808 -7.3930 -7.3930 -7.3929 -7.3929 -6.9497 -6.9497 -6.9491 -6.9491 -6.0969 -6.0969 -6.0961 -6.0961 -5.3701 -5.3701 -5.3697 -5.3697 -4.1115 -4.1115 -4.1094 -4.1094 -3.6561 -3.6561 -3.6556 -3.6556 -2.3808 -2.3808 -2.3799 -2.3799 0.2460 0.2460 0.2472 0.2472 1.3927 1.3927 1.3927 1.3927 7.0735 7.0735 7.0742 7.0742 7.4457 7.4457 7.4469 7.4469 8.8523 8.8526 k = 0.4762 0.7783 0.4778 ( 6004 PWs) bands (ev): -17.2387 -17.2387 -17.2387 -17.2387 -16.3620 -16.3620 -16.3620 -16.3620 -12.3122 -12.3122 -12.3120 -12.3120 -10.1810 -10.1810 -10.1809 -10.1809 -7.3928 -7.3928 -7.3927 -7.3927 -6.9488 -6.9488 -6.9482 -6.9482 -6.0974 -6.0974 -6.0967 -6.0967 -5.3714 -5.3714 -5.3710 -5.3710 -4.1101 -4.1101 -4.1080 -4.1080 -3.6570 -3.6570 -3.6565 -3.6565 -2.3806 -2.3806 -2.3796 -2.3796 0.2457 0.2457 0.2469 0.2469 1.3931 1.3931 1.3932 1.3932 7.0853 7.0853 7.0860 7.0860 7.4304 7.4304 7.4316 7.4316 8.8542 8.8543 k = 0.5000 0.7783 0.4778 ( 6004 PWs) bands (ev): -17.2387 -17.2387 -17.2387 -17.2387 -16.3620 -16.3620 -16.3620 -16.3620 -12.3122 -12.3122 -12.3120 -12.3120 -10.1810 -10.1810 -10.1809 -10.1809 -7.3927 -7.3927 -7.3926 -7.3926 -6.9485 -6.9485 -6.9479 -6.9479 -6.0976 -6.0976 -6.0969 -6.0969 -5.3718 -5.3718 -5.3714 -5.3714 -4.1096 -4.1096 -4.1075 -4.1075 -3.6573 -3.6573 -3.6568 -3.6568 -2.3805 -2.3805 -2.3796 -2.3796 0.2456 0.2456 0.2468 0.2468 1.3933 1.3933 1.3933 1.3933 7.0895 7.0895 7.0902 7.0902 7.4251 7.4251 7.4262 7.4262 8.8547 8.8551 k = 0.5000 0.7783 0.4778 ( 6004 PWs) bands (ev): -17.2387 -17.2387 -17.2387 -17.2387 -16.3620 -16.3620 -16.3620 -16.3620 -12.3122 -12.3122 -12.3120 -12.3120 -10.1810 -10.1810 -10.1809 -10.1809 -7.3927 -7.3927 -7.3926 -7.3926 -6.9485 -6.9485 -6.9479 -6.9479 -6.0976 -6.0976 -6.0969 -6.0969 -5.3718 -5.3718 -5.3714 -5.3714 -4.1096 -4.1096 -4.1075 -4.1075 -3.6573 -3.6573 -3.6568 -3.6568 -2.3805 -2.3805 -2.3796 -2.3796 0.2456 0.2456 0.2468 0.2468 1.3933 1.3933 1.3933 1.3933 7.0895 7.0895 7.0902 7.0902 7.4251 7.4251 7.4262 7.4262 8.8548 8.8552 k = 0.5000 0.7910 0.4572 ( 6010 PWs) bands (ev): -17.2383 -17.2383 -17.2383 -17.2383 -16.3625 -16.3625 -16.3625 -16.3625 -12.3120 -12.3120 -12.3118 -12.3118 -10.1811 -10.1811 -10.1810 -10.1810 -7.3961 -7.3961 -7.3960 -7.3960 -6.9452 -6.9452 -6.9445 -6.9445 -6.0973 -6.0973 -6.0965 -6.0965 -5.3712 -5.3712 -5.3708 -5.3708 -4.1099 -4.1099 -4.1078 -4.1078 -3.6573 -3.6573 -3.6568 -3.6568 -2.3805 -2.3805 -2.3796 -2.3796 0.2448 0.2448 0.2461 0.2461 1.3933 1.3933 1.3933 1.3933 7.0877 7.0877 7.0883 7.0883 7.4268 7.4268 7.4280 7.4280 8.8506 8.8508 k = 0.5000 0.8036 0.4366 ( 6016 PWs) bands (ev): -17.2373 -17.2373 -17.2373 -17.2373 -16.3640 -16.3640 -16.3639 -16.3639 -12.3114 -12.3114 -12.3112 -12.3112 -10.1812 -10.1812 -10.1811 -10.1811 -7.4059 -7.4059 -7.4058 -7.4058 -6.9355 -6.9355 -6.9348 -6.9348 -6.0961 -6.0961 -6.0954 -6.0954 -5.3694 -5.3694 -5.3690 -5.3690 -4.1108 -4.1108 -4.1087 -4.1087 -3.6575 -3.6575 -3.6570 -3.6570 -2.3805 -2.3805 -2.3795 -2.3795 0.2426 0.2426 0.2438 0.2438 1.3934 1.3934 1.3935 1.3935 7.0823 7.0823 7.0828 7.0828 7.4320 7.4320 7.4331 7.4331 8.8382 8.8387 k = 0.5000 0.8163 0.4160 ( 6016 PWs) bands (ev): -17.2356 -17.2356 -17.2356 -17.2356 -16.3664 -16.3664 -16.3664 -16.3664 -12.3104 -12.3104 -12.3102 -12.3102 -10.1814 -10.1814 -10.1813 -10.1813 -7.4212 -7.4212 -7.4212 -7.4212 -6.9203 -6.9203 -6.9196 -6.9196 -6.0942 -6.0942 -6.0935 -6.0935 -5.3665 -5.3665 -5.3661 -5.3661 -4.1123 -4.1123 -4.1101 -4.1101 -3.6578 -3.6578 -3.6573 -3.6573 -2.3804 -2.3804 -2.3795 -2.3795 0.2389 0.2389 0.2402 0.2402 1.3936 1.3936 1.3937 1.3937 7.0738 7.0738 7.0743 7.0743 7.4401 7.4401 7.4411 7.4411 8.8184 8.8186 k = 0.5000 0.8289 0.3954 ( 6022 PWs) bands (ev): -17.2333 -17.2333 -17.2333 -17.2333 -16.3697 -16.3697 -16.3697 -16.3697 -12.3090 -12.3090 -12.3088 -12.3088 -10.1817 -10.1817 -10.1816 -10.1816 -7.4410 -7.4410 -7.4409 -7.4409 -6.9007 -6.9007 -6.9001 -6.9001 -6.0916 -6.0916 -6.0909 -6.0909 -5.3625 -5.3625 -5.3621 -5.3621 -4.1143 -4.1143 -4.1121 -4.1121 -3.6581 -3.6581 -3.6577 -3.6577 -2.3803 -2.3803 -2.3794 -2.3794 0.2339 0.2339 0.2351 0.2351 1.3939 1.3939 1.3939 1.3939 7.0628 7.0628 7.0632 7.0632 7.4502 7.4502 7.4511 7.4511 8.7917 8.7921 k = 0.5000 0.8416 0.3748 ( 6020 PWs) bands (ev): -17.2303 -17.2303 -17.2303 -17.2303 -16.3740 -16.3740 -16.3740 -16.3740 -12.3072 -12.3072 -12.3070 -12.3070 -10.1821 -10.1821 -10.1819 -10.1819 -7.4641 -7.4641 -7.4640 -7.4640 -6.8779 -6.8779 -6.8772 -6.8772 -6.0882 -6.0882 -6.0875 -6.0875 -5.3574 -5.3574 -5.3570 -5.3570 -4.1168 -4.1168 -4.1147 -4.1147 -3.6586 -3.6586 -3.6581 -3.6581 -2.3802 -2.3802 -2.3793 -2.3793 0.2275 0.2275 0.2287 0.2287 1.3940 1.3940 1.3941 1.3941 7.0501 7.0501 7.0504 7.0504 7.4615 7.4615 7.4623 7.4623 8.7596 8.7599 k = 0.5000 0.8542 0.3542 ( 6028 PWs) bands (ev): -17.2266 -17.2266 -17.2266 -17.2266 -16.3792 -16.3792 -16.3792 -16.3792 -12.3050 -12.3050 -12.3048 -12.3048 -10.1825 -10.1825 -10.1824 -10.1824 -7.4895 -7.4895 -7.4894 -7.4894 -6.8528 -6.8528 -6.8521 -6.8521 -6.0842 -6.0842 -6.0835 -6.0835 -5.3513 -5.3513 -5.3509 -5.3509 -4.1198 -4.1198 -4.1177 -4.1177 -3.6592 -3.6592 -3.6587 -3.6587 -2.3801 -2.3801 -2.3792 -2.3792 0.2199 0.2199 0.2211 0.2211 1.3942 1.3942 1.3942 1.3942 7.0361 7.0361 7.0363 7.0363 7.4731 7.4731 7.4738 7.4738 8.7232 8.7236 k = 0.5000 0.8669 0.3336 ( 6032 PWs) bands (ev): -17.2224 -17.2224 -17.2224 -17.2224 -16.3852 -16.3852 -16.3852 -16.3852 -12.3024 -12.3024 -12.3022 -12.3022 -10.1830 -10.1830 -10.1829 -10.1829 -7.5164 -7.5164 -7.5163 -7.5163 -6.8262 -6.8262 -6.8255 -6.8255 -6.0794 -6.0794 -6.0787 -6.0787 -5.3443 -5.3443 -5.3438 -5.3438 -4.1233 -4.1233 -4.1212 -4.1212 -3.6599 -3.6599 -3.6594 -3.6594 -2.3800 -2.3800 -2.3791 -2.3791 0.2112 0.2112 0.2123 0.2123 1.3941 1.3941 1.3942 1.3942 7.0214 7.0214 7.0216 7.0216 7.4842 7.4842 7.4847 7.4847 8.6842 8.6846 k = 0.5000 0.8795 0.3130 ( 6034 PWs) bands (ev): -17.2176 -17.2176 -17.2176 -17.2176 -16.3920 -16.3920 -16.3920 -16.3920 -12.2995 -12.2995 -12.2994 -12.2994 -10.1836 -10.1836 -10.1835 -10.1835 -7.5442 -7.5442 -7.5441 -7.5441 -6.7988 -6.7988 -6.7981 -6.7981 -6.0740 -6.0740 -6.0733 -6.0733 -5.3364 -5.3364 -5.3359 -5.3359 -4.1272 -4.1272 -4.1252 -4.1252 -3.6607 -3.6607 -3.6603 -3.6603 -2.3799 -2.3799 -2.3790 -2.3790 0.2015 0.2015 0.2026 0.2026 1.3939 1.3939 1.3940 1.3940 7.0064 7.0064 7.0065 7.0065 7.4939 7.4939 7.4944 7.4944 8.6441 8.6443 k = 0.5000 0.8922 0.2924 ( 6036 PWs) bands (ev): -17.2122 -17.2122 -17.2122 -17.2122 -16.3996 -16.3996 -16.3996 -16.3996 -12.2963 -12.2963 -12.2961 -12.2961 -10.1843 -10.1843 -10.1842 -10.1842 -7.5723 -7.5723 -7.5722 -7.5722 -6.7710 -6.7710 -6.7703 -6.7703 -6.0680 -6.0680 -6.0674 -6.0674 -5.3278 -5.3278 -5.3273 -5.3273 -4.1316 -4.1316 -4.1296 -4.1296 -3.6617 -3.6617 -3.6612 -3.6612 -2.3798 -2.3798 -2.3789 -2.3789 0.1910 0.1910 0.1920 0.1920 1.3934 1.3934 1.3936 1.3936 6.9915 6.9915 6.9915 6.9915 7.5016 7.5016 7.5019 7.5019 8.6042 8.6046 k = 0.5000 0.9048 0.2718 ( 6036 PWs) bands (ev): -17.2063 -17.2063 -17.2063 -17.2063 -16.4079 -16.4079 -16.4078 -16.4078 -12.2928 -12.2928 -12.2926 -12.2926 -10.1850 -10.1850 -10.1849 -10.1849 -7.6005 -7.6005 -7.6004 -7.6004 -6.7433 -6.7433 -6.7426 -6.7426 -6.0615 -6.0615 -6.0608 -6.0608 -5.3185 -5.3185 -5.3179 -5.3179 -4.1363 -4.1363 -4.1344 -4.1344 -3.6628 -3.6628 -3.6623 -3.6623 -2.3798 -2.3798 -2.3789 -2.3789 0.1797 0.1797 0.1807 0.1807 1.3926 1.3926 1.3928 1.3928 6.9768 6.9768 6.9768 6.9768 7.5066 7.5066 7.5068 7.5068 8.5661 8.5664 k = 0.5000 0.9175 0.2512 ( 6036 PWs) bands (ev): -17.1999 -17.1999 -17.1999 -17.1999 -16.4168 -16.4168 -16.4168 -16.4168 -12.2891 -12.2891 -12.2889 -12.2889 -10.1858 -10.1858 -10.1856 -10.1856 -7.6282 -7.6282 -7.6281 -7.6281 -6.7159 -6.7159 -6.7151 -6.7151 -6.0544 -6.0544 -6.0538 -6.0538 -5.3086 -5.3086 -5.3081 -5.3081 -4.1413 -4.1413 -4.1394 -4.1394 -3.6640 -3.6640 -3.6635 -3.6635 -2.3799 -2.3799 -2.3790 -2.3790 0.1679 0.1679 0.1688 0.1688 1.3915 1.3915 1.3916 1.3916 6.9624 6.9624 6.9625 6.9625 7.5083 7.5083 7.5084 7.5084 8.5308 8.5308 k = 0.5000 0.9301 0.2306 ( 6038 PWs) bands (ev): -17.1932 -17.1932 -17.1932 -17.1932 -16.4262 -16.4262 -16.4262 -16.4262 -12.2850 -12.2850 -12.2849 -12.2849 -10.1866 -10.1866 -10.1865 -10.1865 -7.6554 -7.6554 -7.6553 -7.6553 -6.6890 -6.6890 -6.6883 -6.6883 -6.0470 -6.0470 -6.0463 -6.0463 -5.2983 -5.2983 -5.2978 -5.2978 -4.1466 -4.1466 -4.1448 -4.1448 -3.6653 -3.6653 -3.6648 -3.6648 -2.3800 -2.3800 -2.3792 -2.3792 0.1556 0.1556 0.1565 0.1565 1.3898 1.3898 1.3900 1.3900 6.9485 6.9485 6.9487 6.9487 7.5064 7.5064 7.5064 7.5064 8.4994 8.4994 k = 0.5000 0.9428 0.2100 ( 6046 PWs) bands (ev): -17.1860 -17.1860 -17.1860 -17.1860 -16.4362 -16.4362 -16.4362 -16.4362 -12.2808 -12.2808 -12.2806 -12.2806 -10.1874 -10.1874 -10.1873 -10.1873 -7.6818 -7.6818 -7.6817 -7.6817 -6.6630 -6.6630 -6.6622 -6.6622 -6.0391 -6.0391 -6.0385 -6.0385 -5.2877 -5.2877 -5.2871 -5.2871 -4.1521 -4.1521 -4.1503 -4.1503 -3.6668 -3.6668 -3.6663 -3.6663 -2.3803 -2.3803 -2.3795 -2.3795 0.1430 0.1430 0.1439 0.1439 1.3877 1.3877 1.3879 1.3879 6.9351 6.9351 6.9353 6.9353 7.5006 7.5006 7.5006 7.5006 8.4726 8.4726 k = 0.5000 0.9554 0.1894 ( 6042 PWs) bands (ev): -17.1786 -17.1786 -17.1786 -17.1786 -16.4465 -16.4465 -16.4465 -16.4465 -12.2764 -12.2764 -12.2762 -12.2762 -10.1882 -10.1882 -10.1881 -10.1881 -7.7071 -7.7071 -7.7070 -7.7070 -6.6378 -6.6378 -6.6370 -6.6370 -6.0311 -6.0311 -6.0305 -6.0305 -5.2769 -5.2769 -5.2763 -5.2763 -4.1577 -4.1577 -4.1559 -4.1559 -3.6684 -3.6684 -3.6679 -3.6679 -2.3808 -2.3808 -2.3800 -2.3800 0.1304 0.1304 0.1311 0.1311 1.3851 1.3851 1.3854 1.3854 6.9220 6.9220 6.9223 6.9223 7.4911 7.4911 7.4911 7.4911 8.4511 8.4512 k = 0.5000 0.9681 0.1688 ( 6026 PWs) bands (ev): -17.1709 -17.1709 -17.1709 -17.1709 -16.4571 -16.4571 -16.4571 -16.4571 -12.2719 -12.2719 -12.2717 -12.2717 -10.1890 -10.1890 -10.1889 -10.1889 -7.7313 -7.7313 -7.7313 -7.7313 -6.6136 -6.6136 -6.6128 -6.6128 -6.0228 -6.0228 -6.0223 -6.0223 -5.2659 -5.2659 -5.2653 -5.2653 -4.1634 -4.1634 -4.1617 -4.1617 -3.6702 -3.6702 -3.6697 -3.6697 -2.3814 -2.3814 -2.3806 -2.3806 0.1177 0.1177 0.1184 0.1184 1.3820 1.3820 1.3822 1.3822 6.9092 6.9092 6.9096 6.9096 7.4782 7.4782 7.4783 7.4783 8.4350 8.4350 k = 0.5000 0.9807 0.1482 ( 6014 PWs) bands (ev): -17.1631 -17.1631 -17.1631 -17.1631 -16.4679 -16.4679 -16.4679 -16.4679 -12.2672 -12.2672 -12.2671 -12.2671 -10.1897 -10.1897 -10.1896 -10.1896 -7.7543 -7.7543 -7.7542 -7.7542 -6.5906 -6.5906 -6.5898 -6.5898 -6.0145 -6.0145 -6.0140 -6.0140 -5.2550 -5.2550 -5.2544 -5.2544 -4.1691 -4.1691 -4.1674 -4.1674 -3.6721 -3.6721 -3.6717 -3.6717 -2.3822 -2.3822 -2.3815 -2.3815 0.1052 0.1052 0.1058 0.1058 1.3783 1.3783 1.3785 1.3785 6.8965 6.8965 6.8968 6.8968 7.4627 7.4627 7.4628 7.4628 8.4242 8.4244 k = 0.5000 0.9934 0.1276 ( 6006 PWs) bands (ev): -17.1553 -17.1553 -17.1553 -17.1553 -16.4788 -16.4788 -16.4788 -16.4788 -12.2625 -12.2625 -12.2624 -12.2624 -10.1903 -10.1903 -10.1902 -10.1902 -7.7759 -7.7759 -7.7758 -7.7758 -6.5687 -6.5687 -6.5679 -6.5679 -6.0063 -6.0063 -6.0058 -6.0058 -5.2443 -5.2443 -5.2437 -5.2437 -4.1747 -4.1747 -4.1731 -4.1731 -3.6742 -3.6742 -3.6738 -3.6738 -2.3834 -2.3834 -2.3826 -2.3826 0.0929 0.0929 0.0935 0.0935 1.3740 1.3740 1.3743 1.3743 6.8834 6.8834 6.8838 6.8838 7.4455 7.4455 7.4457 7.4457 8.4185 8.4187 k = 0.5000 1.0060 0.1070 ( 6002 PWs) bands (ev): -17.1475 -17.1475 -17.1475 -17.1475 -16.4896 -16.4896 -16.4896 -16.4896 -12.2579 -12.2579 -12.2577 -12.2577 -10.1908 -10.1908 -10.1907 -10.1907 -7.7961 -7.7961 -7.7960 -7.7960 -6.5481 -6.5481 -6.5473 -6.5473 -5.9982 -5.9982 -5.9978 -5.9978 -5.2338 -5.2338 -5.2332 -5.2332 -4.1803 -4.1803 -4.1787 -4.1787 -3.6764 -3.6764 -3.6760 -3.6760 -2.3848 -2.3848 -2.3841 -2.3841 0.0810 0.0810 0.0816 0.0816 1.3692 1.3692 1.3695 1.3695 6.8697 6.8697 6.8701 6.8701 7.4277 7.4277 7.4279 7.4279 8.4175 8.4176 k = 0.5000 1.0187 0.0864 ( 6002 PWs) bands (ev): -17.1398 -17.1398 -17.1398 -17.1398 -16.5002 -16.5002 -16.5002 -16.5002 -12.2532 -12.2532 -12.2530 -12.2530 -10.1911 -10.1911 -10.1910 -10.1910 -7.8147 -7.8147 -7.8146 -7.8146 -6.5287 -6.5287 -6.5279 -6.5279 -5.9904 -5.9904 -5.9901 -5.9901 -5.2237 -5.2237 -5.2231 -5.2231 -4.1856 -4.1856 -4.1842 -4.1842 -3.6789 -3.6789 -3.6784 -3.6784 -2.3867 -2.3867 -2.3860 -2.3860 0.0697 0.0697 0.0703 0.0703 1.3639 1.3639 1.3641 1.3641 6.8550 6.8550 6.8554 6.8554 7.4106 7.4106 7.4107 7.4107 8.4207 8.4207 k = 0.5000 1.0187 0.0864 ( 6002 PWs) bands (ev): -17.1398 -17.1398 -17.1398 -17.1398 -16.5002 -16.5002 -16.5002 -16.5002 -12.2532 -12.2532 -12.2530 -12.2530 -10.1911 -10.1911 -10.1910 -10.1910 -7.8147 -7.8147 -7.8146 -7.8146 -6.5287 -6.5287 -6.5279 -6.5279 -5.9904 -5.9904 -5.9901 -5.9901 -5.2237 -5.2237 -5.2231 -5.2231 -4.1856 -4.1856 -4.1842 -4.1842 -3.6789 -3.6789 -3.6784 -3.6784 -2.3867 -2.3867 -2.3860 -2.3860 0.0697 0.0697 0.0703 0.0703 1.3639 1.3639 1.3641 1.3641 6.8550 6.8550 6.8554 6.8554 7.4106 7.4106 7.4107 7.4107 8.4207 8.4207 k = 0.5000 1.0077 0.0647 ( 6006 PWs) bands (ev): -17.1377 -17.1377 -17.1377 -17.1377 -16.5031 -16.5031 -16.5031 -16.5031 -12.2530 -12.2530 -12.2529 -12.2529 -10.1909 -10.1909 -10.1908 -10.1908 -7.8195 -7.8195 -7.8194 -7.8194 -6.5210 -6.5210 -6.5202 -6.5202 -5.9858 -5.9858 -5.9855 -5.9855 -5.2176 -5.2176 -5.2170 -5.2170 -4.1837 -4.1837 -4.1823 -4.1823 -3.6805 -3.6805 -3.6801 -3.6801 -2.4013 -2.4013 -2.4006 -2.4006 0.0635 0.0635 0.0640 0.0640 1.3641 1.3641 1.3644 1.3644 6.8244 6.8244 6.8248 6.8248 7.4323 7.4323 7.4324 7.4324 8.4143 8.4143 k = 0.5000 0.9968 0.0429 ( 6004 PWs) bands (ev): -17.1360 -17.1360 -17.1360 -17.1360 -16.5056 -16.5056 -16.5056 -16.5056 -12.2529 -12.2529 -12.2527 -12.2527 -10.1904 -10.1904 -10.1903 -10.1903 -7.8237 -7.8237 -7.8236 -7.8236 -6.5135 -6.5135 -6.5127 -6.5127 -5.9814 -5.9814 -5.9811 -5.9811 -5.2116 -5.2116 -5.2110 -5.2110 -4.1814 -4.1814 -4.1801 -4.1801 -3.6824 -3.6824 -3.6820 -3.6820 -2.4170 -2.4170 -2.4163 -2.4163 0.0576 0.0576 0.0581 0.0581 1.3637 1.3637 1.3640 1.3640 6.7955 6.7955 6.7959 6.7959 7.4504 7.4504 7.4504 7.4504 8.4128 8.4129 k = 0.5000 0.9859 0.0212 ( 6008 PWs) bands (ev): -17.1347 -17.1347 -17.1347 -17.1347 -16.5079 -16.5079 -16.5078 -16.5078 -12.2528 -12.2528 -12.2526 -12.2526 -10.1896 -10.1896 -10.1895 -10.1895 -7.8273 -7.8273 -7.8272 -7.8272 -6.5063 -6.5063 -6.5055 -6.5055 -5.9773 -5.9773 -5.9769 -5.9769 -5.2058 -5.2058 -5.2052 -5.2052 -4.1790 -4.1790 -4.1777 -4.1777 -3.6844 -3.6844 -3.6840 -3.6840 -2.4336 -2.4336 -2.4329 -2.4329 0.0522 0.0522 0.0526 0.0526 1.3627 1.3627 1.3630 1.3630 6.7684 6.7684 6.7687 6.7687 7.4646 7.4646 7.4646 7.4646 8.4164 8.4164 k = 0.5000 0.9750-0.0005 ( 6014 PWs) bands (ev): -17.1336 -17.1336 -17.1336 -17.1336 -16.5097 -16.5097 -16.5097 -16.5097 -12.2527 -12.2527 -12.2526 -12.2526 -10.1885 -10.1885 -10.1885 -10.1885 -7.8305 -7.8305 -7.8304 -7.8304 -6.4994 -6.4994 -6.4986 -6.4986 -5.9734 -5.9734 -5.9731 -5.9731 -5.2001 -5.2001 -5.1995 -5.1995 -4.1763 -4.1763 -4.1751 -4.1751 -3.6865 -3.6865 -3.6861 -3.6861 -2.4508 -2.4508 -2.4501 -2.4501 0.0473 0.0473 0.0476 0.0476 1.3611 1.3611 1.3615 1.3615 6.7429 6.7429 6.7433 6.7433 7.4751 7.4751 7.4751 7.4751 8.4247 8.4247 k = 0.5000 0.9640-0.0222 ( 6008 PWs) bands (ev): -17.1329 -17.1329 -17.1329 -17.1329 -16.5113 -16.5113 -16.5113 -16.5113 -12.2526 -12.2526 -12.2525 -12.2525 -10.1872 -10.1872 -10.1871 -10.1871 -7.8331 -7.8331 -7.8330 -7.8330 -6.4926 -6.4926 -6.4919 -6.4919 -5.9697 -5.9697 -5.9695 -5.9695 -5.1946 -5.1946 -5.1941 -5.1941 -4.1735 -4.1735 -4.1723 -4.1723 -3.6888 -3.6888 -3.6883 -3.6883 -2.4685 -2.4685 -2.4678 -2.4678 0.0428 0.0428 0.0431 0.0431 1.3590 1.3590 1.3593 1.3593 6.7192 6.7192 6.7196 6.7196 7.4821 7.4821 7.4821 7.4821 8.4373 8.4374 k = 0.5000 0.9531-0.0439 ( 6006 PWs) bands (ev): -17.1324 -17.1324 -17.1324 -17.1324 -16.5126 -16.5126 -16.5126 -16.5126 -12.2526 -12.2526 -12.2525 -12.2525 -10.1858 -10.1858 -10.1857 -10.1857 -7.8353 -7.8353 -7.8352 -7.8352 -6.4862 -6.4862 -6.4854 -6.4854 -5.9664 -5.9664 -5.9662 -5.9662 -5.1894 -5.1894 -5.1889 -5.1889 -4.1706 -4.1706 -4.1695 -4.1695 -3.6911 -3.6911 -3.6906 -3.6906 -2.4865 -2.4865 -2.4858 -2.4858 0.0388 0.0388 0.0391 0.0391 1.3564 1.3564 1.3567 1.3567 6.6972 6.6972 6.6975 6.6975 7.4859 7.4859 7.4859 7.4859 8.4538 8.4540 k = 0.5000 0.9422-0.0657 ( 6006 PWs) bands (ev): -17.1321 -17.1321 -17.1321 -17.1321 -16.5136 -16.5136 -16.5136 -16.5136 -12.2526 -12.2526 -12.2525 -12.2525 -10.1842 -10.1842 -10.1841 -10.1841 -7.8371 -7.8371 -7.8370 -7.8370 -6.4800 -6.4800 -6.4792 -6.4792 -5.9634 -5.9634 -5.9631 -5.9631 -5.1845 -5.1845 -5.1840 -5.1840 -4.1676 -4.1676 -4.1665 -4.1665 -3.6934 -3.6934 -3.6930 -3.6930 -2.5047 -2.5047 -2.5040 -2.5040 0.0352 0.0352 0.0355 0.0355 1.3533 1.3533 1.3536 1.3536 6.6768 6.6768 6.6772 6.6772 7.4870 7.4870 7.4870 7.4870 8.4736 8.4737 k = 0.5000 0.9313-0.0874 ( 6006 PWs) bands (ev): -17.1321 -17.1321 -17.1321 -17.1321 -16.5144 -16.5144 -16.5144 -16.5144 -12.2526 -12.2526 -12.2525 -12.2525 -10.1825 -10.1825 -10.1824 -10.1824 -7.8386 -7.8386 -7.8384 -7.8384 -6.4740 -6.4740 -6.4733 -6.4733 -5.9606 -5.9606 -5.9604 -5.9604 -5.1799 -5.1799 -5.1794 -5.1794 -4.1646 -4.1646 -4.1636 -4.1636 -3.6957 -3.6957 -3.6953 -3.6953 -2.5227 -2.5227 -2.5221 -2.5221 0.0322 0.0322 0.0324 0.0324 1.3499 1.3499 1.3502 1.3502 6.6581 6.6581 6.6584 6.6584 7.4858 7.4858 7.4859 7.4859 8.4959 8.4960 k = 0.5000 0.9204-0.1091 ( 6004 PWs) bands (ev): -17.1322 -17.1322 -17.1322 -17.1322 -16.5150 -16.5150 -16.5150 -16.5150 -12.2526 -12.2526 -12.2525 -12.2525 -10.1807 -10.1807 -10.1806 -10.1806 -7.8396 -7.8396 -7.8395 -7.8395 -6.4682 -6.4682 -6.4676 -6.4676 -5.9582 -5.9582 -5.9580 -5.9580 -5.1755 -5.1755 -5.1750 -5.1750 -4.1616 -4.1616 -4.1606 -4.1606 -3.6980 -3.6980 -3.6975 -3.6975 -2.5405 -2.5405 -2.5399 -2.5399 0.0296 0.0296 0.0297 0.0297 1.3461 1.3461 1.3465 1.3465 6.6409 6.6409 6.6412 6.6412 7.4829 7.4829 7.4830 7.4830 8.5201 8.5202 k = 0.5000 0.9094-0.1308 ( 6010 PWs) bands (ev): -17.1325 -17.1325 -17.1325 -17.1325 -16.5154 -16.5154 -16.5154 -16.5154 -12.2526 -12.2526 -12.2525 -12.2525 -10.1789 -10.1789 -10.1789 -10.1789 -7.8404 -7.8404 -7.8403 -7.8403 -6.4628 -6.4628 -6.4621 -6.4621 -5.9560 -5.9560 -5.9558 -5.9558 -5.1715 -5.1715 -5.1710 -5.1710 -4.1586 -4.1586 -4.1578 -4.1578 -3.7002 -3.7002 -3.6997 -3.6997 -2.5579 -2.5579 -2.5573 -2.5573 0.0274 0.0274 0.0275 0.0275 1.3422 1.3422 1.3425 1.3425 6.6253 6.6253 6.6256 6.6256 7.4788 7.4788 7.4788 7.4788 8.5455 8.5456 k = 0.5000 0.8985-0.1525 ( 6008 PWs) bands (ev): -17.1329 -17.1329 -17.1329 -17.1329 -16.5157 -16.5157 -16.5157 -16.5157 -12.2526 -12.2526 -12.2525 -12.2525 -10.1771 -10.1771 -10.1771 -10.1771 -7.8409 -7.8409 -7.8408 -7.8408 -6.4576 -6.4576 -6.4570 -6.4570 -5.9541 -5.9541 -5.9539 -5.9539 -5.1678 -5.1678 -5.1673 -5.1673 -4.1558 -4.1558 -4.1550 -4.1550 -3.7022 -3.7022 -3.7018 -3.7018 -2.5746 -2.5746 -2.5740 -2.5740 0.0256 0.0256 0.0257 0.0257 1.3381 1.3381 1.3385 1.3385 6.6111 6.6111 6.6114 6.6114 7.4737 7.4737 7.4738 7.4738 8.5716 8.5718 k = 0.5000 0.8876-0.1743 ( 6008 PWs) bands (ev): -17.1334 -17.1334 -17.1334 -17.1334 -16.5158 -16.5158 -16.5158 -16.5158 -12.2526 -12.2526 -12.2526 -12.2526 -10.1754 -10.1754 -10.1754 -10.1754 -7.8412 -7.8412 -7.8411 -7.8411 -6.4527 -6.4527 -6.4522 -6.4522 -5.9525 -5.9525 -5.9523 -5.9523 -5.1644 -5.1644 -5.1640 -5.1640 -4.1531 -4.1531 -4.1524 -4.1524 -3.7041 -3.7041 -3.7037 -3.7037 -2.5905 -2.5905 -2.5900 -2.5900 0.0242 0.0242 0.0243 0.0243 1.3340 1.3340 1.3344 1.3344 6.5983 6.5983 6.5986 6.5986 7.4682 7.4682 7.4683 7.4683 8.5976 8.5978 k = 0.5000 0.8767-0.1960 ( 5994 PWs) bands (ev): -17.1339 -17.1339 -17.1339 -17.1339 -16.5159 -16.5159 -16.5159 -16.5159 -12.2526 -12.2526 -12.2526 -12.2526 -10.1737 -10.1737 -10.1737 -10.1737 -7.8413 -7.8413 -7.8412 -7.8412 -6.4481 -6.4481 -6.4476 -6.4476 -5.9511 -5.9511 -5.9510 -5.9510 -5.1613 -5.1613 -5.1610 -5.1610 -4.1506 -4.1506 -4.1499 -4.1499 -3.7059 -3.7059 -3.7055 -3.7055 -2.6055 -2.6055 -2.6050 -2.6050 0.0231 0.0231 0.0232 0.0232 1.3300 1.3300 1.3303 1.3303 6.5869 6.5869 6.5872 6.5872 7.4625 7.4625 7.4626 7.4626 8.6232 8.6233 k = 0.5000 0.8657-0.2177 ( 5990 PWs) bands (ev): -17.1345 -17.1345 -17.1345 -17.1345 -16.5158 -16.5158 -16.5158 -16.5158 -12.2526 -12.2526 -12.2526 -12.2526 -10.1722 -10.1722 -10.1721 -10.1721 -7.8413 -7.8413 -7.8412 -7.8412 -6.4439 -6.4439 -6.4435 -6.4435 -5.9499 -5.9499 -5.9498 -5.9498 -5.1586 -5.1586 -5.1583 -5.1583 -4.1482 -4.1482 -4.1477 -4.1477 -3.7074 -3.7074 -3.7070 -3.7070 -2.6194 -2.6194 -2.6189 -2.6189 0.0223 0.0223 0.0224 0.0224 1.3261 1.3261 1.3264 1.3264 6.5769 6.5769 6.5771 6.5771 7.4569 7.4569 7.4570 7.4570 8.6477 8.6478 k = 0.5000 0.8548-0.2394 ( 5980 PWs) bands (ev): -17.1351 -17.1351 -17.1351 -17.1351 -16.5157 -16.5157 -16.5157 -16.5157 -12.2526 -12.2526 -12.2526 -12.2526 -10.1707 -10.1707 -10.1707 -10.1707 -7.8411 -7.8411 -7.8411 -7.8411 -6.4402 -6.4402 -6.4398 -6.4398 -5.9490 -5.9490 -5.9489 -5.9489 -5.1563 -5.1563 -5.1560 -5.1560 -4.1461 -4.1461 -4.1456 -4.1456 -3.7087 -3.7087 -3.7084 -3.7084 -2.6320 -2.6320 -2.6315 -2.6315 0.0218 0.0218 0.0218 0.0218 1.3224 1.3224 1.3227 1.3227 6.5681 6.5681 6.5683 6.5683 7.4516 7.4516 7.4516 7.4516 8.6707 8.6709 k = 0.5000 0.8439-0.2611 ( 5984 PWs) bands (ev): -17.1356 -17.1356 -17.1356 -17.1356 -16.5156 -16.5156 -16.5156 -16.5156 -12.2527 -12.2527 -12.2526 -12.2526 -10.1695 -10.1695 -10.1694 -10.1694 -7.8410 -7.8410 -7.8409 -7.8409 -6.4368 -6.4368 -6.4364 -6.4364 -5.9482 -5.9482 -5.9481 -5.9481 -5.1542 -5.1542 -5.1539 -5.1539 -4.1443 -4.1443 -4.1439 -4.1439 -3.7099 -3.7099 -3.7096 -3.7096 -2.6432 -2.6432 -2.6428 -2.6428 0.0214 0.0214 0.0214 0.0214 1.3191 1.3191 1.3193 1.3193 6.5606 6.5606 6.5608 6.5608 7.4466 7.4466 7.4467 7.4467 8.6916 8.6918 k = 0.5000 0.8330-0.2829 ( 5982 PWs) bands (ev): -17.1361 -17.1361 -17.1361 -17.1361 -16.5155 -16.5155 -16.5155 -16.5155 -12.2527 -12.2527 -12.2526 -12.2526 -10.1684 -10.1684 -10.1683 -10.1683 -7.8407 -7.8407 -7.8407 -7.8407 -6.4339 -6.4339 -6.4336 -6.4336 -5.9476 -5.9476 -5.9475 -5.9475 -5.1525 -5.1525 -5.1523 -5.1523 -4.1427 -4.1427 -4.1424 -4.1424 -3.7108 -3.7108 -3.7106 -3.7106 -2.6529 -2.6529 -2.6526 -2.6526 0.0211 0.0211 0.0212 0.0212 1.3161 1.3161 1.3163 1.3163 6.5543 6.5543 6.5545 6.5545 7.4423 7.4423 7.4424 7.4424 8.7103 8.7104 k = 0.5000 0.8220-0.3046 ( 5984 PWs) bands (ev): -17.1365 -17.1365 -17.1365 -17.1365 -16.5154 -16.5154 -16.5154 -16.5154 -12.2527 -12.2527 -12.2526 -12.2526 -10.1674 -10.1674 -10.1674 -10.1674 -7.8405 -7.8405 -7.8405 -7.8405 -6.4314 -6.4314 -6.4312 -6.4312 -5.9471 -5.9471 -5.9471 -5.9471 -5.1511 -5.1511 -5.1509 -5.1509 -4.1415 -4.1415 -4.1412 -4.1412 -3.7116 -3.7116 -3.7114 -3.7114 -2.6610 -2.6610 -2.6607 -2.6607 0.0210 0.0210 0.0210 0.0210 1.3135 1.3135 1.3137 1.3137 6.5492 6.5492 6.5493 6.5493 7.4386 7.4386 7.4387 7.4387 8.7261 8.7262 k = 0.5000 0.8111-0.3263 ( 5998 PWs) bands (ev): -17.1369 -17.1369 -17.1369 -17.1369 -16.5153 -16.5153 -16.5153 -16.5153 -12.2527 -12.2527 -12.2527 -12.2527 -10.1667 -10.1667 -10.1667 -10.1667 -7.8403 -7.8403 -7.8403 -7.8403 -6.4295 -6.4295 -6.4294 -6.4294 -5.9468 -5.9468 -5.9468 -5.9468 -5.1500 -5.1500 -5.1499 -5.1499 -4.1405 -4.1405 -4.1402 -4.1402 -3.7121 -3.7121 -3.7120 -3.7120 -2.6674 -2.6674 -2.6672 -2.6672 0.0209 0.0209 0.0209 0.0209 1.3115 1.3115 1.3116 1.3116 6.5452 6.5452 6.5453 6.5453 7.4357 7.4357 7.4357 7.4357 8.7388 8.7389 k = 0.5000 0.8002-0.3480 ( 5996 PWs) bands (ev): -17.1371 -17.1371 -17.1371 -17.1371 -16.5152 -16.5152 -16.5152 -16.5152 -12.2527 -12.2527 -12.2527 -12.2527 -10.1662 -10.1662 -10.1662 -10.1662 -7.8402 -7.8402 -7.8401 -7.8401 -6.4281 -6.4281 -6.4280 -6.4280 -5.9466 -5.9466 -5.9465 -5.9465 -5.1492 -5.1492 -5.1491 -5.1491 -4.1397 -4.1397 -4.1396 -4.1396 -3.7125 -3.7125 -3.7124 -3.7124 -2.6720 -2.6720 -2.6718 -2.6718 0.0209 0.0209 0.0209 0.0209 1.3100 1.3100 1.3101 1.3101 6.5424 6.5424 6.5425 6.5425 7.4336 7.4336 7.4336 7.4336 8.7481 8.7481 k = 0.5000 0.7893-0.3697 ( 5990 PWs) bands (ev): -17.1373 -17.1373 -17.1373 -17.1373 -16.5151 -16.5151 -16.5151 -16.5151 -12.2527 -12.2527 -12.2527 -12.2527 -10.1658 -10.1658 -10.1658 -10.1658 -7.8401 -7.8401 -7.8400 -7.8400 -6.4272 -6.4272 -6.4272 -6.4272 -5.9464 -5.9464 -5.9464 -5.9464 -5.1487 -5.1487 -5.1487 -5.1487 -4.1392 -4.1392 -4.1392 -4.1392 -3.7127 -3.7127 -3.7127 -3.7127 -2.6747 -2.6747 -2.6746 -2.6746 0.0209 0.0209 0.0209 0.0209 1.3091 1.3091 1.3091 1.3091 6.5408 6.5408 6.5408 6.5408 7.4323 7.4323 7.4323 7.4323 8.7537 8.7538 k = 0.5000 0.7783-0.3915 ( 5980 PWs) bands (ev): -17.1373 -17.1373 -17.1373 -17.1373 -16.5151 -16.5151 -16.5151 -16.5151 -12.2526 -12.2526 -12.2526 -12.2526 -10.1657 -10.1657 -10.1657 -10.1657 -7.8400 -7.8400 -7.8400 -7.8400 -6.4269 -6.4269 -6.4269 -6.4269 -5.9463 -5.9463 -5.9463 -5.9463 -5.1486 -5.1486 -5.1486 -5.1486 -4.1390 -4.1390 -4.1390 -4.1390 -3.7128 -3.7128 -3.7128 -3.7128 -2.6756 -2.6756 -2.6756 -2.6756 0.0209 0.0209 0.0209 0.0209 1.3088 1.3088 1.3088 1.3088 6.5402 6.5402 6.5402 6.5402 7.4318 7.4318 7.4318 7.4318 8.7557 8.7557 k = 0.5000 0.7783-0.3915 ( 5980 PWs) bands (ev): -17.1373 -17.1373 -17.1373 -17.1373 -16.5151 -16.5151 -16.5151 -16.5151 -12.2526 -12.2526 -12.2526 -12.2526 -10.1657 -10.1657 -10.1657 -10.1657 -7.8400 -7.8400 -7.8400 -7.8400 -6.4269 -6.4269 -6.4269 -6.4269 -5.9463 -5.9463 -5.9463 -5.9463 -5.1486 -5.1486 -5.1486 -5.1486 -4.1390 -4.1390 -4.1390 -4.1390 -3.7128 -3.7128 -3.7128 -3.7128 -2.6756 -2.6756 -2.6756 -2.6756 0.0209 0.0209 0.0209 0.0209 1.3088 1.3088 1.3088 1.3088 6.5402 6.5402 6.5402 6.5402 7.4318 7.4318 7.4318 7.4318 8.7557 8.7557 k = 0.4762 0.7783-0.3915 ( 5994 PWs) bands (ev): -17.1474 -17.1474 -17.1269 -17.1269 -16.5287 -16.5287 -16.5019 -16.5019 -12.2687 -12.2687 -12.2364 -12.2364 -10.1812 -10.1812 -10.1505 -10.1505 -7.8518 -7.8518 -7.8277 -7.8277 -6.4622 -6.4622 -6.3920 -6.3920 -5.9472 -5.9472 -5.9454 -5.9454 -5.1525 -5.1525 -5.1446 -5.1446 -4.1493 -4.1493 -4.1291 -4.1291 -3.7240 -3.7240 -3.7019 -3.7019 -2.6839 -2.6839 -2.6670 -2.6670 0.0111 0.0111 0.0299 0.0299 1.2996 1.2996 1.3191 1.3191 6.5170 6.5170 6.5582 6.5582 7.4266 7.4266 7.4455 7.4455 8.7335 8.7335 k = 0.4524 0.7783-0.3915 ( 5998 PWs) bands (ev): -17.1570 -17.1570 -17.1160 -17.1160 -16.5427 -16.5427 -16.4890 -16.4890 -12.2845 -12.2845 -12.2201 -12.2201 -10.1968 -10.1968 -10.1357 -10.1357 -7.8629 -7.8629 -7.8147 -7.8147 -6.4976 -6.4976 -6.3575 -6.3575 -5.9480 -5.9480 -5.9444 -5.9444 -5.1564 -5.1564 -5.1405 -5.1405 -4.1598 -4.1598 -4.1194 -4.1194 -3.7355 -3.7355 -3.6915 -3.6915 -2.6917 -2.6917 -2.6581 -2.6581 0.0006 0.0006 0.0380 0.0380 1.2915 1.2915 1.3304 1.3304 6.4892 6.4892 6.5708 6.5708 7.4297 7.4297 7.4673 7.4673 8.7099 8.7099 k = 0.4286 0.7783-0.3915 ( 6002 PWs) bands (ev): -17.1662 -17.1662 -17.1048 -17.1048 -16.5570 -16.5570 -16.4766 -16.4766 -12.3000 -12.3000 -12.2037 -12.2037 -10.2125 -10.2125 -10.1212 -10.1212 -7.8734 -7.8734 -7.8011 -7.8011 -6.5331 -6.5331 -6.3235 -6.3235 -5.9486 -5.9486 -5.9434 -5.9434 -5.1601 -5.1601 -5.1365 -5.1365 -4.1704 -4.1704 -4.1101 -4.1101 -3.7472 -3.7472 -3.6815 -3.6815 -2.6991 -2.6991 -2.6489 -2.6489 -0.0105 -0.0105 0.0453 0.0453 1.2845 1.2845 1.3428 1.3428 6.4576 6.4576 6.5780 6.5780 7.4409 7.4409 7.4966 7.4966 8.6853 8.6853 k = 0.4048 0.7783-0.3915 ( 6008 PWs) bands (ev): -17.1750 -17.1750 -17.0932 -17.0932 -16.5716 -16.5716 -16.4647 -16.4647 -12.3150 -12.3150 -12.1873 -12.1873 -10.2282 -10.2282 -10.1072 -10.1072 -7.8832 -7.8832 -7.7871 -7.7871 -6.5685 -6.5685 -6.2902 -6.2902 -5.9492 -5.9492 -5.9422 -5.9422 -5.1638 -5.1638 -5.1325 -5.1325 -4.1812 -4.1812 -4.1011 -4.1011 -3.7591 -3.7591 -3.6721 -3.6721 -2.7059 -2.7059 -2.6396 -2.6396 -0.0222 -0.0222 0.0517 0.0517 1.2786 1.2786 1.3560 1.3560 6.4229 6.4229 6.5804 6.5804 7.4593 7.4593 7.5327 7.5327 8.6603 8.6603 k = 0.3810 0.7783-0.3915 ( 6012 PWs) bands (ev): -17.1833 -17.1833 -17.0813 -17.0813 -16.5865 -16.5865 -16.4533 -16.4533 -12.3295 -12.3295 -12.1712 -12.1712 -10.2438 -10.2438 -10.0937 -10.0937 -7.8924 -7.8924 -7.7724 -7.7724 -6.6036 -6.6036 -6.2578 -6.2578 -5.9497 -5.9497 -5.9411 -5.9411 -5.1672 -5.1672 -5.1285 -5.1285 -4.1920 -4.1920 -4.0925 -4.0925 -3.7709 -3.7709 -3.6633 -3.6633 -2.7123 -2.7123 -2.6302 -2.6302 -0.0342 -0.0342 0.0572 0.0572 1.2737 1.2737 1.3699 1.3699 6.3861 6.3861 6.5787 6.5787 7.4841 7.4841 7.5749 7.5749 8.6352 8.6352 k = 0.3571 0.7783-0.3915 ( 6012 PWs) bands (ev): -17.1912 -17.1912 -17.0690 -17.0690 -16.6016 -16.6016 -16.4424 -16.4424 -12.3434 -12.3434 -12.1552 -12.1552 -10.2593 -10.2593 -10.0808 -10.0808 -7.9010 -7.9010 -7.7574 -7.7574 -6.6384 -6.6384 -6.2263 -6.2263 -5.9502 -5.9502 -5.9398 -5.9398 -5.1706 -5.1706 -5.1246 -5.1246 -4.2028 -4.2028 -4.0844 -4.0844 -3.7827 -3.7827 -3.6552 -3.6552 -2.7180 -2.7180 -2.6208 -2.6208 -0.0466 -0.0466 0.0619 0.0619 1.2698 1.2698 1.3845 1.3845 6.3481 6.3481 6.5737 6.5737 7.5141 7.5141 7.6226 7.6226 8.6106 8.6106 k = 0.3333 0.7783-0.3915 ( 6006 PWs) bands (ev): -17.1986 -17.1986 -17.0565 -17.0565 -16.6169 -16.6169 -16.4321 -16.4321 -12.3568 -12.3568 -12.1397 -12.1397 -10.2744 -10.2744 -10.0685 -10.0685 -7.9089 -7.9089 -7.7419 -7.7419 -6.6727 -6.6727 -6.1958 -6.1958 -5.9505 -5.9505 -5.9386 -5.9386 -5.1737 -5.1737 -5.1208 -5.1208 -4.2135 -4.2135 -4.0767 -4.0767 -3.7943 -3.7943 -3.6476 -3.6476 -2.7232 -2.7232 -2.6115 -2.6115 -0.0591 -0.0591 0.0658 0.0658 1.2668 1.2668 1.3995 1.3995 6.3095 6.3095 6.5663 6.5663 7.5480 7.5480 7.6750 7.6750 8.5867 8.5867 k = 0.3095 0.7783-0.3915 ( 6002 PWs) bands (ev): -17.2055 -17.2055 -17.0436 -17.0436 -16.6323 -16.6323 -16.4223 -16.4223 -12.3695 -12.3695 -12.1245 -12.1245 -10.2892 -10.2892 -10.0569 -10.0569 -7.9162 -7.9162 -7.7260 -7.7260 -6.7063 -6.7063 -6.1667 -6.1667 -5.9508 -5.9508 -5.9373 -5.9373 -5.1766 -5.1766 -5.1171 -5.1171 -4.2241 -4.2241 -4.0694 -4.0694 -3.8056 -3.8056 -3.6407 -3.6407 -2.7279 -2.7279 -2.6023 -2.6023 -0.0716 -0.0716 0.0690 0.0690 1.2645 1.2645 1.4148 1.4148 6.2710 6.2710 6.5572 6.5572 7.5848 7.5848 7.7316 7.7316 8.5640 8.5640 k = 0.2857 0.7783-0.3915 ( 6000 PWs) bands (ev): -17.2119 -17.2119 -17.0304 -17.0304 -16.6479 -16.6479 -16.4131 -16.4131 -12.3814 -12.3814 -12.1099 -12.1099 -10.3034 -10.3034 -10.0460 -10.0460 -7.9229 -7.9229 -7.7100 -7.7100 -6.7392 -6.7392 -6.1389 -6.1389 -5.9510 -5.9510 -5.9361 -5.9361 -5.1794 -5.1794 -5.1135 -5.1135 -4.2344 -4.2344 -4.0627 -4.0627 -3.8165 -3.8165 -3.6345 -3.6345 -2.7320 -2.7320 -2.5933 -2.5933 -0.0839 -0.0839 0.0716 0.0716 1.2629 1.2629 1.4300 1.4300 6.2332 6.2332 6.5471 6.5471 7.6235 7.6235 7.7917 7.7917 8.5429 8.5429 k = 0.2619 0.7783-0.3915 ( 5996 PWs) bands (ev): -17.2179 -17.2179 -17.0170 -17.0170 -16.6636 -16.6636 -16.4046 -16.4046 -12.3926 -12.3926 -12.0960 -12.0960 -10.3171 -10.3171 -10.0358 -10.0358 -7.9290 -7.9290 -7.6938 -7.6938 -6.7710 -6.7710 -6.1126 -6.1126 -5.9512 -5.9512 -5.9348 -5.9348 -5.1819 -5.1819 -5.1102 -5.1102 -4.2444 -4.2444 -4.0564 -4.0564 -3.8270 -3.8270 -3.6289 -3.6289 -2.7356 -2.7356 -2.5848 -2.5848 -0.0959 -0.0959 0.0735 0.0735 1.2620 1.2620 1.4452 1.4452 6.1966 6.1966 6.5366 6.5366 7.6631 7.6631 7.8545 7.8545 8.5240 8.5240 k = 0.2381 0.7783-0.3915 ( 6004 PWs) bands (ev): -17.2233 -17.2233 -17.0034 -17.0034 -16.6794 -16.6794 -16.3968 -16.3968 -12.4030 -12.4030 -12.0828 -12.0828 -10.3300 -10.3300 -10.0264 -10.0264 -7.9345 -7.9345 -7.6777 -7.6777 -6.8016 -6.8016 -6.0880 -6.0880 -5.9513 -5.9513 -5.9337 -5.9337 -5.1842 -5.1842 -5.1070 -5.1070 -4.2540 -4.2540 -4.0507 -4.0507 -3.8369 -3.8369 -3.6239 -3.6239 -2.7387 -2.7387 -2.5766 -2.5766 -0.1074 -0.1074 0.0750 0.0750 1.2615 1.2615 1.4599 1.4599 6.1617 6.1617 6.5261 6.5261 7.7027 7.7027 7.9193 7.9193 8.5079 8.5079 k = 0.2143 0.7783-0.3915 ( 6004 PWs) bands (ev): -17.2283 -17.2283 -16.9895 -16.9895 -16.6952 -16.6952 -16.3896 -16.3896 -12.4125 -12.4125 -12.0706 -12.0706 -10.3421 -10.3421 -10.0179 -10.0179 -7.9395 -7.9395 -7.6618 -7.6618 -6.8308 -6.8308 -6.0652 -6.0652 -5.9514 -5.9514 -5.9326 -5.9326 -5.1862 -5.1862 -5.1041 -5.1041 -4.2630 -4.2630 -4.0455 -4.0455 -3.8462 -3.8462 -3.6195 -3.6195 -2.7414 -2.7414 -2.5690 -2.5690 -0.1183 -0.1183 0.0760 0.0760 1.2614 1.2614 1.4741 1.4741 6.1290 6.1290 6.5160 6.5160 7.7415 7.7415 7.9848 7.9848 8.4954 8.4954 k = 0.1905 0.7783-0.3915 ( 6008 PWs) bands (ev): -17.2328 -17.2328 -16.9756 -16.9756 -16.7109 -16.7109 -16.3831 -16.3831 -12.4211 -12.4211 -12.0592 -12.0592 -10.3533 -10.3533 -10.0102 -10.0102 -7.9439 -7.9439 -7.6463 -7.6463 -6.8583 -6.8583 -6.0444 -6.0444 -5.9514 -5.9514 -5.9315 -5.9315 -5.1881 -5.1881 -5.1014 -5.1014 -4.2715 -4.2715 -4.0408 -4.0408 -3.8547 -3.8547 -3.6157 -3.6157 -2.7436 -2.7436 -2.5619 -2.5619 -0.1285 -0.1285 0.0767 0.0767 1.2616 1.2616 1.4874 1.4874 6.0987 6.0987 6.5065 6.5065 7.7789 7.7789 8.0495 8.0495 8.4879 8.4879 k = 0.1667 0.7783-0.3915 ( 6004 PWs) bands (ev): -17.2367 -17.2367 -16.9615 -16.9615 -16.7266 -16.7266 -16.3773 -16.3773 -12.4288 -12.4288 -12.0490 -12.0490 -10.3634 -10.3634 -10.0033 -10.0033 -7.9477 -7.9477 -7.6315 -7.6315 -6.8839 -6.8839 -6.0256 -6.0256 -5.9514 -5.9514 -5.9306 -5.9306 -5.1896 -5.1896 -5.0989 -5.0989 -4.2793 -4.2793 -4.0366 -4.0366 -3.8624 -3.8624 -3.6125 -3.6125 -2.7454 -2.7454 -2.5555 -2.5555 -0.1378 -0.1378 0.0771 0.0771 1.2620 1.2620 1.4998 1.4998 6.0712 6.0712 6.4978 6.4978 7.8140 7.8140 8.1108 8.1108 8.4875 8.4875 k = 0.1429 0.7783-0.3915 ( 6012 PWs) bands (ev): -17.2401 -17.2401 -16.9474 -16.9474 -16.7420 -16.7420 -16.3723 -16.3723 -12.4355 -12.4355 -12.0399 -12.0399 -10.3724 -10.3724 -9.9973 -9.9973 -7.9510 -7.9510 -7.6176 -7.6176 -6.9072 -6.9072 -6.0090 -6.0090 -5.9514 -5.9514 -5.9298 -5.9298 -5.1910 -5.1910 -5.0968 -5.0968 -4.2862 -4.2862 -4.0330 -4.0330 -3.8692 -3.8692 -3.6098 -3.6098 -2.7469 -2.7469 -2.5498 -2.5498 -0.1461 -0.1461 0.0772 0.0772 1.2625 1.2625 1.5109 1.5109 6.0468 6.0468 6.4901 6.4901 7.8463 7.8463 8.1653 8.1653 8.4970 8.4970 k = 0.1190 0.7783-0.3915 ( 6008 PWs) bands (ev): -17.2431 -17.2431 -16.9334 -16.9334 -16.7572 -16.7572 -16.3680 -16.3680 -12.4412 -12.4412 -12.0320 -12.0320 -10.3802 -10.3802 -9.9922 -9.9922 -7.9538 -7.9538 -7.6049 -7.6049 -6.9278 -6.9278 -5.9947 -5.9947 -5.9514 -5.9514 -5.9291 -5.9291 -5.1921 -5.1921 -5.0949 -5.0949 -4.2923 -4.2923 -4.0299 -4.0299 -3.8751 -3.8751 -3.6075 -3.6075 -2.7481 -2.7481 -2.5449 -2.5449 -0.1533 -0.1533 0.0773 0.0773 1.2631 1.2631 1.5206 1.5206 6.0257 6.0257 6.4834 6.4834 7.8749 7.8749 8.2091 8.2091 8.5195 8.5195 k = 0.0952 0.7783-0.3915 ( 6012 PWs) bands (ev): -17.2454 -17.2454 -16.9198 -16.9198 -16.7718 -16.7718 -16.3645 -16.3645 -12.4460 -12.4460 -12.0254 -12.0254 -10.3867 -10.3867 -9.9880 -9.9880 -7.9560 -7.9560 -7.5938 -7.5938 -6.9454 -6.9454 -5.9828 -5.9828 -5.9514 -5.9514 -5.9286 -5.9286 -5.1930 -5.1930 -5.0934 -5.0934 -4.2974 -4.2974 -4.0274 -4.0274 -3.8800 -3.8800 -3.6057 -3.6057 -2.7490 -2.7490 -2.5407 -2.5407 -0.1594 -0.1594 0.0773 0.0773 1.2636 1.2636 1.5288 1.5288 6.0082 6.0082 6.4778 6.4778 7.8994 7.8994 8.2397 8.2397 8.5560 8.5560 k = 0.0714 0.7783-0.3915 ( 6004 PWs) bands (ev): -17.2473 -17.2473 -16.9068 -16.9068 -16.7855 -16.7855 -16.3617 -16.3617 -12.4497 -12.4497 -12.0203 -12.0203 -10.3918 -10.3918 -9.9847 -9.9847 -7.9578 -7.9578 -7.5847 -7.5847 -6.9596 -6.9596 -5.9734 -5.9734 -5.9513 -5.9513 -5.9282 -5.9282 -5.1937 -5.1937 -5.0922 -5.0922 -4.3014 -4.3014 -4.0254 -4.0254 -3.8838 -3.8838 -3.6044 -3.6044 -2.7497 -2.7497 -2.5375 -2.5375 -0.1641 -0.1641 0.0772 0.0772 1.2641 1.2641 1.5354 1.5354 5.9944 5.9944 6.4735 6.4735 7.9191 7.9191 8.2585 8.2585 8.6027 8.6027 k = 0.0476 0.7783-0.3915 ( 6006 PWs) bands (ev): -17.2486 -17.2486 -16.8954 -16.8954 -16.7975 -16.7975 -16.3597 -16.3597 -12.4523 -12.4523 -12.0165 -12.0165 -10.3955 -10.3955 -9.9823 -9.9823 -7.9590 -7.9590 -7.5779 -7.5779 -6.9701 -6.9701 -5.9666 -5.9666 -5.9513 -5.9513 -5.9280 -5.9280 -5.1942 -5.1942 -5.0913 -5.0913 -4.3043 -4.3043 -4.0240 -4.0240 -3.8866 -3.8866 -3.6034 -3.6034 -2.7501 -2.7501 -2.5352 -2.5352 -0.1676 -0.1676 0.0771 0.0771 1.2645 1.2645 1.5401 1.5401 5.9844 5.9844 6.4703 6.4703 7.9335 7.9335 8.2688 8.2688 8.6518 8.6518 k = 0.0238 0.7783-0.3915 ( 6004 PWs) bands (ev): -17.2494 -17.2494 -16.8869 -16.8869 -16.8064 -16.8064 -16.3585 -16.3585 -12.4539 -12.4539 -12.0143 -12.0143 -10.3977 -10.3977 -9.9809 -9.9809 -7.9598 -7.9598 -7.5736 -7.5736 -6.9765 -6.9765 -5.9625 -5.9625 -5.9513 -5.9513 -5.9279 -5.9279 -5.1945 -5.1945 -5.0908 -5.0908 -4.3061 -4.3061 -4.0232 -4.0232 -3.8883 -3.8883 -3.6029 -3.6029 -2.7504 -2.7504 -2.5337 -2.5337 -0.1697 -0.1697 0.0771 0.0771 1.2648 1.2648 1.5430 1.5430 5.9784 5.9784 6.4685 6.4685 7.9423 7.9423 8.2738 8.2738 8.6915 8.6915 k = 0.0000 0.7783-0.3915 ( 6008 PWs) bands (ev): -17.2497 -17.2497 -16.8836 -16.8836 -16.8098 -16.8098 -16.3581 -16.3581 -12.4544 -12.4544 -12.0135 -12.0135 -10.3984 -10.3984 -9.9804 -9.9804 -7.9600 -7.9600 -7.5722 -7.5722 -6.9787 -6.9787 -5.9611 -5.9611 -5.9513 -5.9513 -5.9279 -5.9279 -5.1946 -5.1946 -5.0906 -5.0906 -4.3067 -4.3067 -4.0229 -4.0229 -3.8888 -3.8888 -3.6027 -3.6027 -2.7505 -2.7505 -2.5333 -2.5333 -0.1704 -0.1704 0.0770 0.0770 1.2648 1.2648 1.5439 1.5439 5.9764 5.9764 6.4678 6.4678 7.9453 7.9453 8.2752 8.2752 8.7074 8.7074 k = 0.0000 0.7783-0.3915 ( 6008 PWs) bands (ev): -17.2497 -17.2497 -16.8836 -16.8836 -16.8098 -16.8098 -16.3581 -16.3581 -12.4544 -12.4544 -12.0135 -12.0135 -10.3984 -10.3984 -9.9804 -9.9804 -7.9600 -7.9600 -7.5722 -7.5722 -6.9787 -6.9787 -5.9611 -5.9611 -5.9513 -5.9513 -5.9279 -5.9279 -5.1946 -5.1946 -5.0906 -5.0906 -4.3067 -4.3067 -4.0229 -4.0229 -3.8888 -3.8888 -3.6027 -3.6027 -2.7505 -2.7505 -2.5333 -2.5333 -0.1704 -0.1704 0.0770 0.0770 1.2648 1.2648 1.5439 1.5439 5.9764 5.9764 6.4678 6.4678 7.9453 7.9453 8.2752 8.2752 8.7074 8.7074 k = 0.0000 0.7893-0.3697 ( 6008 PWs) bands (ev): -17.2496 -17.2496 -16.8840 -16.8840 -16.8094 -16.8094 -16.3582 -16.3582 -12.4542 -12.4542 -12.0138 -12.0138 -10.3984 -10.3984 -9.9807 -9.9807 -7.9597 -7.9597 -7.5729 -7.5729 -6.9785 -6.9785 -5.9689 -5.9689 -5.9440 -5.9440 -5.9281 -5.9281 -5.1946 -5.1946 -5.0910 -5.0910 -4.3067 -4.3067 -4.0233 -4.0233 -3.8880 -3.8880 -3.6029 -3.6029 -2.7495 -2.7495 -2.5329 -2.5329 -0.1695 -0.1695 0.0771 0.0771 1.2647 1.2647 1.5436 1.5436 5.9780 5.9780 6.4682 6.4682 7.9441 7.9441 8.2720 8.2720 8.7086 8.7086 k = 0.0000 0.8002-0.3480 ( 6017 PWs) bands (ev): -17.2492 -17.2492 -16.8852 -16.8852 -16.8081 -16.8081 -16.3584 -16.3584 -12.4535 -12.4535 -12.0147 -12.0147 -10.3982 -10.3982 -9.9814 -9.9814 -7.9587 -7.9587 -7.5749 -7.5749 -6.9778 -6.9778 -5.9807 -5.9807 -5.9337 -5.9337 -5.9286 -5.9286 -5.1946 -5.1946 -5.0921 -5.0921 -4.3065 -4.3065 -4.0243 -4.0243 -3.8857 -3.8857 -3.6036 -3.6036 -2.7464 -2.7464 -2.5317 -2.5317 -0.1669 -0.1669 0.0773 0.0773 1.2645 1.2645 1.5426 1.5426 5.9827 5.9827 6.4692 6.4692 7.9406 7.9406 8.2625 8.2625 8.7124 8.7124 k = 0.0000 0.8111-0.3263 ( 6005 PWs) bands (ev): -17.2486 -17.2486 -16.8873 -16.8873 -16.8060 -16.8060 -16.3587 -16.3587 -12.4523 -12.4523 -12.0162 -12.0162 -10.3978 -10.3978 -9.9825 -9.9825 -7.9571 -7.9571 -7.5781 -7.5781 -6.9766 -6.9766 -5.9934 -5.9934 -5.9295 -5.9295 -5.9236 -5.9236 -5.1947 -5.1947 -5.0940 -5.0940 -4.3063 -4.3063 -4.0260 -4.0260 -3.8818 -3.8818 -3.6047 -3.6047 -2.7412 -2.7412 -2.5297 -2.5297 -0.1625 -0.1625 0.0777 0.0777 1.2640 1.2640 1.5410 1.5410 5.9906 5.9906 6.4709 6.4709 7.9348 7.9348 8.2468 8.2468 8.7186 8.7186 k = 0.0000 0.8220-0.3046 ( 6001 PWs) bands (ev): -17.2478 -17.2478 -16.8902 -16.8902 -16.8030 -16.8030 -16.3591 -16.3591 -12.4507 -12.4507 -12.0183 -12.0183 -10.3973 -10.3973 -9.9841 -9.9841 -7.9548 -7.9548 -7.5826 -7.5826 -6.9749 -6.9749 -6.0067 -6.0067 -5.9308 -5.9308 -5.9139 -5.9139 -5.1947 -5.1947 -5.0966 -5.0966 -4.3059 -4.3059 -4.0284 -4.0284 -3.8765 -3.8765 -3.6062 -3.6062 -2.7341 -2.7341 -2.5270 -2.5270 -0.1564 -0.1564 0.0782 0.0782 1.2634 1.2634 1.5388 1.5388 6.0015 6.0015 6.4735 6.4735 7.9265 7.9265 8.2253 8.2253 8.7272 8.7272 k = 0.0000 0.8330-0.2829 ( 6005 PWs) bands (ev): -17.2467 -17.2467 -16.8939 -16.8939 -16.7993 -16.7993 -16.3597 -16.3597 -12.4487 -12.4487 -12.0209 -12.0209 -10.3966 -10.3966 -9.9861 -9.9861 -7.9519 -7.9519 -7.5883 -7.5883 -6.9728 -6.9728 -6.0206 -6.0206 -5.9324 -5.9324 -5.9046 -5.9046 -5.1948 -5.1948 -5.0998 -5.0998 -4.3054 -4.3054 -4.0315 -4.0315 -3.8698 -3.8698 -3.6082 -3.6082 -2.7250 -2.7250 -2.5234 -2.5234 -0.1486 -0.1486 0.0788 0.0788 1.2627 1.2627 1.5359 1.5359 6.0152 6.0152 6.4771 6.4771 7.9158 7.9158 8.1988 8.1988 8.7232 8.7232 k = 0.0000 0.8439-0.2611 ( 6007 PWs) bands (ev): -17.2454 -17.2454 -16.8984 -16.8984 -16.7947 -16.7947 -16.3604 -16.3604 -12.4462 -12.4462 -12.0241 -12.0241 -10.3957 -10.3957 -9.9885 -9.9885 -7.9483 -7.9483 -7.5951 -7.5951 -6.9702 -6.9702 -6.0351 -6.0351 -5.9344 -5.9344 -5.8956 -5.8956 -5.1950 -5.1950 -5.1038 -5.1038 -4.3047 -4.3047 -4.0352 -4.0352 -3.8619 -3.8619 -3.6106 -3.6106 -2.7142 -2.7142 -2.5191 -2.5191 -0.1393 -0.1393 0.0795 0.0795 1.2618 1.2618 1.5324 1.5324 6.0318 6.0318 6.4818 6.4818 7.9023 7.9023 8.1680 8.1680 8.7074 8.7074 k = 0.0000 0.8548-0.2394 ( 6004 PWs) bands (ev): -17.2438 -17.2438 -16.9038 -16.9038 -16.7893 -16.7893 -16.3612 -16.3612 -12.4433 -12.4433 -12.0278 -12.0278 -10.3947 -10.3947 -9.9913 -9.9913 -7.9440 -7.9440 -7.6028 -7.6028 -6.9673 -6.9673 -6.0502 -6.0502 -5.9367 -5.9367 -5.8872 -5.8872 -5.1952 -5.1952 -5.1084 -5.1084 -4.3039 -4.3039 -4.0395 -4.0395 -3.8528 -3.8528 -3.6133 -3.6133 -2.7016 -2.7016 -2.5139 -2.5139 -0.1284 -0.1284 0.0802 0.0802 1.2609 1.2609 1.5283 1.5283 6.0509 6.0509 6.4877 6.4877 7.8858 7.8858 8.1341 8.1341 8.6930 8.6930 k = 0.0000 0.8657-0.2177 ( 6007 PWs) bands (ev): -17.2421 -17.2421 -16.9098 -16.9098 -16.7831 -16.7831 -16.3622 -16.3622 -12.4400 -12.4400 -12.0320 -12.0320 -10.3934 -10.3934 -9.9945 -9.9945 -7.9391 -7.9391 -7.6115 -7.6115 -6.9639 -6.9639 -6.0660 -6.0660 -5.9395 -5.9395 -5.8791 -5.8791 -5.1955 -5.1955 -5.1135 -5.1135 -4.3028 -4.3028 -4.0446 -4.0446 -3.8427 -3.8427 -3.6165 -3.6165 -2.6875 -2.6875 -2.5079 -2.5079 -0.1161 -0.1161 0.0809 0.0809 1.2600 1.2600 1.5237 1.5237 6.0723 6.0723 6.4953 6.4953 7.8658 7.8658 8.0987 8.0987 8.6803 8.6803 k = 0.0000 0.8767-0.1960 ( 6009 PWs) bands (ev): -17.2401 -17.2401 -16.9166 -16.9166 -16.7761 -16.7761 -16.3634 -16.3634 -12.4364 -12.4364 -12.0367 -12.0367 -10.3920 -10.3920 -9.9980 -9.9980 -7.9335 -7.9335 -7.6209 -7.6209 -6.9602 -6.9602 -6.0824 -6.0824 -5.9426 -5.9426 -5.8715 -5.8715 -5.1959 -5.1959 -5.1193 -5.1193 -4.3014 -4.3014 -4.0502 -4.0502 -3.8316 -3.8316 -3.6200 -3.6200 -2.6719 -2.6719 -2.5012 -2.5012 -0.1024 -0.1024 0.0816 0.0816 1.2590 1.2590 1.5184 1.5184 6.0959 6.0959 6.5046 6.5046 7.8414 7.8414 8.0633 8.0633 8.6693 8.6693 k = 0.0000 0.8876-0.1743 ( 6006 PWs) bands (ev): -17.2379 -17.2379 -16.9242 -16.9242 -16.7684 -16.7684 -16.3647 -16.3647 -12.4323 -12.4323 -12.0419 -12.0419 -10.3903 -10.3903 -10.0019 -10.0019 -7.9273 -7.9273 -7.6310 -7.6310 -6.9561 -6.9561 -6.0994 -6.0994 -5.9461 -5.9461 -5.8643 -5.8643 -5.1963 -5.1963 -5.1255 -5.1255 -4.2998 -4.2998 -4.0565 -4.0565 -3.8198 -3.8198 -3.6238 -3.6238 -2.6551 -2.6551 -2.4936 -2.4936 -0.0875 -0.0875 0.0822 0.0822 1.2580 1.2580 1.5127 1.5127 6.1213 6.1213 6.5159 6.5159 7.8119 7.8119 8.0296 8.0296 8.6596 8.6596 k = 0.0000 0.8985-0.1525 ( 6003 PWs) bands (ev): -17.2355 -17.2355 -16.9324 -16.9324 -16.7599 -16.7599 -16.3662 -16.3662 -12.4279 -12.4279 -12.0475 -12.0475 -10.3884 -10.3884 -10.0060 -10.0060 -7.9204 -7.9204 -7.6416 -7.6416 -6.9516 -6.9516 -6.1170 -6.1170 -5.9500 -5.9500 -5.8575 -5.8575 -5.1969 -5.1969 -5.1322 -5.1322 -4.2977 -4.2977 -4.0633 -4.0633 -3.8073 -3.8073 -3.6279 -3.6279 -2.6371 -2.6371 -2.4854 -2.4854 -0.0715 -0.0715 0.0828 0.0828 1.2571 1.2571 1.5064 1.5064 6.1482 6.1482 6.5297 6.5297 7.7766 7.7766 7.9990 7.9990 8.6513 8.6513 k = 0.0000 0.9094-0.1308 ( 6007 PWs) bands (ev): -17.2329 -17.2329 -16.9413 -16.9413 -16.7507 -16.7507 -16.3679 -16.3679 -12.4231 -12.4231 -12.0534 -12.0534 -10.3862 -10.3862 -10.0103 -10.0103 -7.9129 -7.9129 -7.6526 -7.6526 -6.9469 -6.9469 -6.1352 -6.1352 -5.9543 -5.9543 -5.8511 -5.8511 -5.1976 -5.1976 -5.1394 -5.1394 -4.2953 -4.2953 -4.0709 -4.0709 -3.7943 -3.7943 -3.6322 -3.6322 -2.6182 -2.6182 -2.4764 -2.4764 -0.0545 -0.0545 0.0832 0.0832 1.2563 1.2563 1.4997 1.4997 6.1763 6.1763 6.5461 6.5461 7.7354 7.7354 7.9722 7.9722 8.6441 8.6441 k = 0.0000 0.9204-0.1091 ( 6010 PWs) bands (ev): -17.2301 -17.2301 -16.9508 -16.9508 -16.7408 -16.7408 -16.3697 -16.3697 -12.4181 -12.4181 -12.0598 -12.0598 -10.3837 -10.3837 -10.0149 -10.0149 -7.9047 -7.9047 -7.6638 -7.6638 -6.9419 -6.9419 -6.1541 -6.1541 -5.9590 -5.9590 -5.8452 -5.8452 -5.1984 -5.1984 -5.1469 -5.1469 -4.2925 -4.2925 -4.0790 -4.0790 -3.7809 -3.7809 -3.6368 -3.6368 -2.5986 -2.5986 -2.4668 -2.4668 -0.0366 -0.0366 0.0836 0.0836 1.2555 1.2555 1.4925 1.4925 6.2054 6.2054 6.5654 6.5654 7.6890 7.6890 7.9493 7.9493 8.6379 8.6379 k = 0.0000 0.9313-0.0874 ( 6003 PWs) bands (ev): -17.2271 -17.2271 -16.9610 -16.9610 -16.7302 -16.7302 -16.3718 -16.3718 -12.4127 -12.4127 -12.0665 -12.0665 -10.3809 -10.3809 -10.0196 -10.0196 -7.8958 -7.8958 -7.6752 -7.6752 -6.9365 -6.9365 -6.1734 -6.1734 -5.9641 -5.9641 -5.8396 -5.8396 -5.1993 -5.1993 -5.1547 -5.1547 -4.2892 -4.2892 -4.0878 -4.0878 -3.7672 -3.7672 -3.6416 -3.6416 -2.5783 -2.5783 -2.4567 -2.4567 -0.0180 -0.0180 0.0838 0.0838 1.2548 1.2548 1.4849 1.4849 6.2351 6.2351 6.5879 6.5879 7.6380 7.6380 7.9300 7.9300 8.6326 8.6326 k = 0.0000 0.9422-0.0657 ( 6003 PWs) bands (ev): -17.2240 -17.2240 -16.9717 -16.9717 -16.7189 -16.7189 -16.3741 -16.3741 -12.4072 -12.4072 -12.0735 -12.0735 -10.3778 -10.3778 -10.0245 -10.0245 -7.8864 -7.8864 -7.6866 -7.6866 -6.9309 -6.9309 -6.1934 -6.1934 -5.9697 -5.9697 -5.8345 -5.8345 -5.2004 -5.2004 -5.1628 -5.1628 -4.2855 -4.2855 -4.0971 -4.0971 -3.7533 -3.7533 -3.6467 -3.6467 -2.5577 -2.5577 -2.4461 -2.4461 0.0012 0.0012 0.0839 0.0839 1.2541 1.2541 1.4770 1.4770 6.2654 6.2654 6.6137 6.6137 7.5835 7.5835 7.9137 7.9137 8.6283 8.6283 k = 0.0000 0.9531-0.0439 ( 6007 PWs) bands (ev): -17.2206 -17.2206 -16.9830 -16.9830 -16.7070 -16.7070 -16.3765 -16.3765 -12.4013 -12.4013 -12.0808 -12.0808 -10.3743 -10.3743 -10.0295 -10.0295 -7.8763 -7.8763 -7.6979 -7.6979 -6.9251 -6.9251 -6.2139 -6.2139 -5.9757 -5.9757 -5.8298 -5.8298 -5.2017 -5.2017 -5.1711 -5.1711 -4.2813 -4.2813 -4.1071 -4.1071 -3.7394 -3.7394 -3.6519 -3.6519 -2.5369 -2.5369 -2.4353 -2.4353 0.0209 0.0209 0.0839 0.0839 1.2535 1.2535 1.4687 1.4687 6.2960 6.2960 6.6429 6.6429 7.5263 7.5263 7.8999 7.8999 8.6247 8.6247 k = 0.0000 0.9640-0.0222 ( 5997 PWs) bands (ev): -17.2171 -17.2171 -16.9948 -16.9948 -16.6945 -16.6945 -16.3792 -16.3792 -12.3953 -12.3953 -12.0884 -12.0884 -10.3704 -10.3704 -10.0344 -10.0344 -7.8657 -7.8657 -7.7090 -7.7090 -6.9190 -6.9190 -6.2349 -6.2349 -5.9821 -5.9821 -5.8256 -5.8256 -5.2031 -5.2031 -5.1796 -5.1796 -4.2765 -4.2765 -4.1175 -4.1175 -3.7255 -3.7255 -3.6572 -3.6572 -2.5161 -2.5161 -2.4242 -2.4242 0.0408 0.0408 0.0838 0.0838 1.2529 1.2529 1.4602 1.4602 6.3271 6.3271 6.6755 6.6755 7.4671 7.4671 7.8883 7.8883 8.6220 8.6220 k = 0.0000 0.9750-0.0005 ( 6009 PWs) bands (ev): -17.2135 -17.2135 -17.0071 -17.0071 -16.6814 -16.6814 -16.3822 -16.3822 -12.3891 -12.3891 -12.0961 -12.0961 -10.3661 -10.3661 -10.0394 -10.0394 -7.8544 -7.8544 -7.7198 -7.7198 -6.9127 -6.9127 -6.2564 -6.2564 -5.9891 -5.9891 -5.8218 -5.8218 -5.2047 -5.2047 -5.1882 -5.1882 -4.2712 -4.2712 -4.1284 -4.1284 -3.7117 -3.7117 -3.6627 -3.6627 -2.4955 -2.4955 -2.4131 -2.4131 0.0609 0.0609 0.0836 0.0836 1.2522 1.2522 1.4515 1.4515 6.3586 6.3586 6.7114 6.7114 7.4065 7.4065 7.8787 7.8787 8.6200 8.6200 k = 0.0000 0.9859 0.0212 ( 6009 PWs) bands (ev): -17.2097 -17.2097 -17.0199 -17.0199 -16.6678 -16.6678 -16.3853 -16.3853 -12.3828 -12.3828 -12.1041 -12.1041 -10.3613 -10.3613 -10.0443 -10.0443 -7.8426 -7.8426 -7.7302 -7.7302 -6.9062 -6.9062 -6.2783 -6.2783 -5.9964 -5.9964 -5.8185 -5.8185 -5.2064 -5.2064 -5.1969 -5.1969 -4.2653 -4.2653 -4.1398 -4.1398 -3.6980 -3.6980 -3.6684 -3.6684 -2.4753 -2.4753 -2.4021 -2.4021 0.0808 0.0808 0.0836 0.0836 1.2514 1.2514 1.4427 1.4427 6.3907 6.3907 6.7503 6.7503 7.3448 7.3448 7.8708 7.8708 8.6187 8.6187 k = 0.0000 0.9968 0.0429 ( 6014 PWs) bands (ev): -17.2058 -17.2058 -17.0330 -17.0330 -16.6536 -16.6536 -16.3887 -16.3887 -12.3763 -12.3763 -12.1122 -12.1122 -10.3561 -10.3561 -10.0491 -10.0491 -7.8302 -7.8302 -7.7401 -7.7401 -6.8994 -6.8994 -6.3007 -6.3007 -6.0043 -6.0043 -5.8155 -5.8155 -5.2084 -5.2084 -5.2057 -5.2057 -4.2588 -4.2588 -4.1517 -4.1517 -3.6845 -3.6845 -3.6742 -3.6742 -2.4556 -2.4556 -2.3915 -2.3915 0.0830 0.0830 0.1010 0.1010 1.2505 1.2505 1.4338 1.4338 6.4237 6.4237 6.7920 6.7920 7.2826 7.2826 7.8645 7.8645 8.6182 8.6182 k = 0.0000 1.0077 0.0647 ( 6018 PWs) bands (ev): -17.2018 -17.2018 -17.0465 -17.0465 -16.6390 -16.6390 -16.3923 -16.3923 -12.3697 -12.3697 -12.1205 -12.1205 -10.3504 -10.3504 -10.0538 -10.0538 -7.8173 -7.8173 -7.7495 -7.7495 -6.8924 -6.8924 -6.3234 -6.3234 -6.0126 -6.0126 -5.8131 -5.8131 -5.2144 -5.2144 -5.2104 -5.2104 -4.2517 -4.2517 -4.1639 -4.1639 -3.6801 -3.6801 -3.6713 -3.6713 -2.4367 -2.4367 -2.3813 -2.3813 0.0828 0.0828 0.1206 0.1206 1.2495 1.2495 1.4249 1.4249 6.4577 6.4577 6.8362 6.8362 7.2200 7.2200 7.8595 7.8595 8.6184 8.6184 k = 0.0000 1.0187 0.0864 ( 6007 PWs) bands (ev): -17.1977 -17.1977 -17.0604 -17.0604 -16.6239 -16.6239 -16.3962 -16.3962 -12.3630 -12.3630 -12.1288 -12.1288 -10.3442 -10.3442 -10.0583 -10.0583 -7.8038 -7.8038 -7.7581 -7.7581 -6.8852 -6.8852 -6.3465 -6.3465 -6.0214 -6.0214 -5.8110 -5.8110 -5.2231 -5.2231 -5.2127 -5.2127 -4.2440 -4.2440 -4.1764 -4.1764 -3.6862 -3.6862 -3.6584 -3.6584 -2.4186 -2.4186 -2.3718 -2.3718 0.0826 0.0826 0.1397 0.1397 1.2481 1.2481 1.4161 1.4161 6.4931 6.4931 6.8825 6.8825 7.1575 7.1575 7.8555 7.8555 8.6194 8.6194 k = 0.5000 0.5380 0.8693 ( 6002 PWs) bands (ev): -17.1398 -17.1398 -17.1398 -17.1398 -16.5002 -16.5002 -16.5002 -16.5002 -12.2532 -12.2532 -12.2530 -12.2530 -10.1911 -10.1911 -10.1910 -10.1910 -7.8147 -7.8147 -7.8146 -7.8146 -6.5287 -6.5287 -6.5279 -6.5279 -5.9904 -5.9904 -5.9901 -5.9901 -5.2237 -5.2237 -5.2231 -5.2231 -4.1856 -4.1856 -4.1842 -4.1842 -3.6789 -3.6789 -3.6784 -3.6784 -2.3867 -2.3867 -2.3860 -2.3860 0.0697 0.0697 0.0703 0.0703 1.3639 1.3639 1.3641 1.3641 6.8550 6.8550 6.8554 6.8554 7.4106 7.4106 7.4107 7.4107 8.4207 8.4207 k = 0.5000 0.5136 0.8693 ( 6002 PWs) bands (ev): -17.1342 -17.1342 -17.1342 -17.1342 -16.5081 -16.5081 -16.5081 -16.5081 -12.2484 -12.2484 -12.2483 -12.2483 -10.1911 -10.1911 -10.1910 -10.1910 -7.8285 -7.8285 -7.8284 -7.8284 -6.5170 -6.5170 -6.5162 -6.5162 -5.9873 -5.9873 -5.9869 -5.9869 -5.2196 -5.2196 -5.2190 -5.2190 -4.1930 -4.1930 -4.1915 -4.1915 -3.6801 -3.6801 -3.6797 -3.6797 -2.3747 -2.3747 -2.3740 -2.3740 0.0644 0.0644 0.0650 0.0650 1.3570 1.3570 1.3573 1.3573 6.8688 6.8688 6.8693 6.8693 7.3721 7.3721 7.3721 7.3721 8.4355 8.4355 k = 0.5000 0.4891 0.8693 ( 6002 PWs) bands (ev): -17.1287 -17.1287 -17.1287 -17.1287 -16.5160 -16.5160 -16.5160 -16.5160 -12.2435 -12.2435 -12.2434 -12.2434 -10.1908 -10.1908 -10.1907 -10.1907 -7.8418 -7.8418 -7.8417 -7.8417 -6.5057 -6.5057 -6.5049 -6.5049 -5.9843 -5.9843 -5.9839 -5.9839 -5.2156 -5.2156 -5.2151 -5.2151 -4.2002 -4.2002 -4.1988 -4.1988 -3.6816 -3.6816 -3.6813 -3.6813 -2.3630 -2.3630 -2.3623 -2.3623 0.0593 0.0593 0.0598 0.0598 1.3497 1.3497 1.3499 1.3499 6.8792 6.8792 6.8796 6.8796 7.3392 7.3392 7.3392 7.3392 8.4513 8.4513 k = 0.5000 0.4646 0.8693 ( 5998 PWs) bands (ev): -17.1234 -17.1234 -17.1234 -17.1234 -16.5237 -16.5237 -16.5237 -16.5237 -12.2386 -12.2386 -12.2384 -12.2384 -10.1902 -10.1902 -10.1901 -10.1901 -7.8545 -7.8545 -7.8545 -7.8545 -6.4947 -6.4947 -6.4940 -6.4940 -5.9815 -5.9815 -5.9812 -5.9812 -5.2119 -5.2119 -5.2113 -5.2113 -4.2072 -4.2072 -4.2058 -4.2058 -3.6835 -3.6835 -3.6831 -3.6831 -2.3515 -2.3515 -2.3509 -2.3509 0.0542 0.0542 0.0548 0.0548 1.3420 1.3420 1.3422 1.3422 6.8853 6.8853 6.8857 6.8857 7.3127 7.3127 7.3127 7.3127 8.4682 8.4682 k = 0.5000 0.4402 0.8693 ( 5996 PWs) bands (ev): -17.1183 -17.1183 -17.1183 -17.1183 -16.5312 -16.5312 -16.5312 -16.5312 -12.2336 -12.2336 -12.2334 -12.2334 -10.1893 -10.1893 -10.1892 -10.1892 -7.8668 -7.8668 -7.8667 -7.8667 -6.4842 -6.4842 -6.4835 -6.4835 -5.9790 -5.9790 -5.9787 -5.9787 -5.2085 -5.2085 -5.2079 -5.2079 -4.2140 -4.2140 -4.2127 -4.2127 -3.6855 -3.6855 -3.6852 -3.6852 -2.3402 -2.3402 -2.3397 -2.3397 0.0493 0.0493 0.0499 0.0499 1.3340 1.3340 1.3342 1.3342 6.8864 6.8864 6.8867 6.8867 7.2930 7.2930 7.2931 7.2931 8.4861 8.4861 k = 0.5000 0.4157 0.8693 ( 6008 PWs) bands (ev): -17.1133 -17.1133 -17.1133 -17.1133 -16.5386 -16.5386 -16.5386 -16.5386 -12.2286 -12.2286 -12.2285 -12.2285 -10.1882 -10.1882 -10.1881 -10.1881 -7.8785 -7.8785 -7.8784 -7.8784 -6.4741 -6.4741 -6.4734 -6.4734 -5.9767 -5.9767 -5.9764 -5.9764 -5.2052 -5.2052 -5.2047 -5.2047 -4.2206 -4.2206 -4.2193 -4.2193 -3.6879 -3.6879 -3.6876 -3.6876 -2.3294 -2.3294 -2.3288 -2.3288 0.0445 0.0445 0.0451 0.0451 1.3259 1.3259 1.3260 1.3260 6.8823 6.8823 6.8826 6.8826 7.2803 7.2803 7.2805 7.2805 8.5049 8.5050 k = 0.5000 0.3913 0.8693 ( 6010 PWs) bands (ev): -17.1086 -17.1086 -17.1086 -17.1086 -16.5457 -16.5457 -16.5457 -16.5457 -12.2237 -12.2237 -12.2235 -12.2235 -10.1869 -10.1869 -10.1868 -10.1868 -7.8896 -7.8896 -7.8896 -7.8896 -6.4644 -6.4644 -6.4637 -6.4637 -5.9747 -5.9747 -5.9745 -5.9745 -5.2023 -5.2023 -5.2017 -5.2017 -4.2269 -4.2269 -4.2256 -4.2256 -3.6904 -3.6904 -3.6901 -3.6901 -2.3188 -2.3188 -2.3183 -2.3183 0.0399 0.0399 0.0404 0.0404 1.3176 1.3176 1.3177 1.3177 6.8734 6.8734 6.8736 6.8736 7.2742 7.2742 7.2744 7.2744 8.5247 8.5248 k = 0.5000 0.3668 0.8693 ( 6008 PWs) bands (ev): -17.1040 -17.1040 -17.1040 -17.1040 -16.5526 -16.5526 -16.5526 -16.5526 -12.2188 -12.2188 -12.2186 -12.2186 -10.1855 -10.1855 -10.1854 -10.1854 -7.9001 -7.9001 -7.9001 -7.9001 -6.4551 -6.4551 -6.4544 -6.4544 -5.9730 -5.9730 -5.9728 -5.9728 -5.1995 -5.1995 -5.1990 -5.1990 -4.2328 -4.2328 -4.2316 -4.2316 -3.6931 -3.6931 -3.6928 -3.6928 -2.3086 -2.3086 -2.3081 -2.3081 0.0354 0.0354 0.0360 0.0360 1.3094 1.3094 1.3095 1.3095 6.8604 6.8604 6.8606 6.8606 7.2737 7.2737 7.2740 7.2740 8.5452 8.5454 k = 0.5000 0.3424 0.8693 ( 6002 PWs) bands (ev): -17.0997 -17.0997 -17.0997 -17.0997 -16.5592 -16.5592 -16.5592 -16.5592 -12.2140 -12.2140 -12.2138 -12.2138 -10.1840 -10.1840 -10.1838 -10.1838 -7.9100 -7.9100 -7.9100 -7.9100 -6.4463 -6.4463 -6.4455 -6.4455 -5.9716 -5.9716 -5.9714 -5.9714 -5.1970 -5.1970 -5.1965 -5.1965 -4.2384 -4.2384 -4.2373 -4.2373 -3.6959 -3.6959 -3.6956 -3.6956 -2.2988 -2.2988 -2.2984 -2.2984 0.0312 0.0312 0.0318 0.0318 1.3013 1.3013 1.3013 1.3013 6.8445 6.8445 6.8447 6.8447 7.2777 7.2777 7.2781 7.2781 8.5664 8.5666 k = 0.5000 0.3179 0.8693 ( 5996 PWs) bands (ev): -17.0956 -17.0956 -17.0956 -17.0956 -16.5656 -16.5656 -16.5655 -16.5655 -12.2093 -12.2093 -12.2092 -12.2092 -10.1824 -10.1824 -10.1822 -10.1822 -7.9193 -7.9193 -7.9193 -7.9193 -6.4378 -6.4378 -6.4371 -6.4371 -5.9705 -5.9705 -5.9704 -5.9704 -5.1947 -5.1947 -5.1943 -5.1943 -4.2437 -4.2437 -4.2426 -4.2426 -3.6988 -3.6988 -3.6985 -3.6985 -2.2895 -2.2895 -2.2891 -2.2891 0.0272 0.0272 0.0278 0.0278 1.2933 1.2933 1.2934 1.2934 6.8267 6.8267 6.8269 6.8269 7.2849 7.2849 7.2853 7.2853 8.5882 8.5883 k = 0.5000 0.2935 0.8693 ( 6002 PWs) bands (ev): -17.0917 -17.0917 -17.0917 -17.0917 -16.5715 -16.5715 -16.5715 -16.5715 -12.2049 -12.2049 -12.2047 -12.2047 -10.1807 -10.1807 -10.1806 -10.1806 -7.9279 -7.9279 -7.9279 -7.9279 -6.4298 -6.4298 -6.4290 -6.4290 -5.9698 -5.9698 -5.9696 -5.9696 -5.1927 -5.1927 -5.1922 -5.1922 -4.2486 -4.2486 -4.2475 -4.2475 -3.7017 -3.7017 -3.7014 -3.7014 -2.2808 -2.2808 -2.2803 -2.2803 0.0234 0.0234 0.0240 0.0240 1.2856 1.2856 1.2856 1.2856 6.8081 6.8081 6.8082 6.8082 7.2943 7.2943 7.2948 7.2948 8.6103 8.6105 k = 0.5000 0.2690 0.8693 ( 6004 PWs) bands (ev): -17.0881 -17.0881 -17.0881 -17.0881 -16.5772 -16.5772 -16.5772 -16.5772 -12.2006 -12.2006 -12.2004 -12.2004 -10.1791 -10.1791 -10.1789 -10.1789 -7.9359 -7.9359 -7.9359 -7.9359 -6.4222 -6.4222 -6.4214 -6.4214 -5.9693 -5.9693 -5.9692 -5.9692 -5.1908 -5.1908 -5.1904 -5.1904 -4.2531 -4.2531 -4.2521 -4.2521 -3.7046 -3.7046 -3.7043 -3.7043 -2.2725 -2.2725 -2.2721 -2.2721 0.0199 0.0199 0.0205 0.0205 1.2782 1.2782 1.2783 1.2783 6.7894 6.7894 6.7895 6.7895 7.3051 7.3051 7.3056 7.3056 8.6326 8.6327 k = 0.5000 0.2445 0.8693 ( 5998 PWs) bands (ev): -17.0847 -17.0847 -17.0847 -17.0847 -16.5824 -16.5824 -16.5824 -16.5824 -12.1966 -12.1966 -12.1964 -12.1964 -10.1774 -10.1774 -10.1772 -10.1772 -7.9432 -7.9432 -7.9432 -7.9432 -6.4150 -6.4150 -6.4143 -6.4143 -5.9690 -5.9690 -5.9689 -5.9689 -5.1892 -5.1892 -5.1888 -5.1888 -4.2572 -4.2572 -4.2562 -4.2562 -3.7074 -3.7074 -3.7072 -3.7072 -2.2648 -2.2648 -2.2644 -2.2644 0.0166 0.0166 0.0172 0.0172 1.2713 1.2713 1.2713 1.2713 6.7712 6.7712 6.7712 6.7712 7.3165 7.3165 7.3170 7.3170 8.6546 8.6550 k = 0.5000 0.2201 0.8693 ( 5996 PWs) bands (ev): -17.0817 -17.0817 -17.0817 -17.0817 -16.5873 -16.5873 -16.5872 -16.5872 -12.1928 -12.1928 -12.1927 -12.1927 -10.1759 -10.1759 -10.1757 -10.1757 -7.9498 -7.9498 -7.9498 -7.9498 -6.4084 -6.4084 -6.4077 -6.4077 -5.9690 -5.9690 -5.9690 -5.9690 -5.1877 -5.1877 -5.1873 -5.1873 -4.2609 -4.2609 -4.2600 -4.2600 -3.7102 -3.7102 -3.7099 -3.7099 -2.2577 -2.2577 -2.2573 -2.2573 0.0136 0.0136 0.0142 0.0142 1.2648 1.2648 1.2648 1.2648 6.7539 6.7539 6.7539 6.7539 7.3280 7.3280 7.3285 7.3285 8.6766 8.6767 k = 0.5000 0.1956 0.8693 ( 5990 PWs) bands (ev): -17.0789 -17.0789 -17.0789 -17.0789 -16.5917 -16.5917 -16.5916 -16.5916 -12.1894 -12.1894 -12.1892 -12.1892 -10.1744 -10.1744 -10.1742 -10.1742 -7.9558 -7.9558 -7.9558 -7.9558 -6.4023 -6.4023 -6.4017 -6.4017 -5.9692 -5.9692 -5.9692 -5.9692 -5.1864 -5.1864 -5.1861 -5.1861 -4.2642 -4.2642 -4.2633 -4.2633 -3.7128 -3.7128 -3.7125 -3.7125 -2.2513 -2.2513 -2.2509 -2.2509 0.0110 0.0110 0.0115 0.0115 1.2588 1.2588 1.2588 1.2588 6.7379 6.7379 6.7379 6.7379 7.3392 7.3392 7.3398 7.3398 8.6981 8.6982 k = 0.5000 0.1712 0.8693 ( 5984 PWs) bands (ev): -17.0764 -17.0764 -17.0764 -17.0764 -16.5956 -16.5956 -16.5956 -16.5956 -12.1863 -12.1863 -12.1861 -12.1861 -10.1730 -10.1730 -10.1728 -10.1728 -7.9610 -7.9610 -7.9610 -7.9610 -6.3968 -6.3968 -6.3962 -6.3962 -5.9696 -5.9696 -5.9695 -5.9695 -5.1853 -5.1853 -5.1850 -5.1850 -4.2672 -4.2672 -4.2663 -4.2663 -3.7152 -3.7152 -3.7149 -3.7149 -2.2455 -2.2455 -2.2452 -2.2452 0.0086 0.0086 0.0091 0.0091 1.2534 1.2534 1.2534 1.2534 6.7233 6.7233 6.7234 6.7234 7.3498 7.3498 7.3504 7.3504 8.7186 8.7190 k = 0.5000 0.1467 0.8693 ( 5982 PWs) bands (ev): -17.0742 -17.0742 -17.0742 -17.0742 -16.5991 -16.5991 -16.5991 -16.5991 -12.1835 -12.1835 -12.1834 -12.1834 -10.1718 -10.1718 -10.1716 -10.1716 -7.9656 -7.9656 -7.9655 -7.9655 -6.3919 -6.3919 -6.3913 -6.3913 -5.9700 -5.9700 -5.9700 -5.9700 -5.1843 -5.1843 -5.1840 -5.1840 -4.2697 -4.2697 -4.2688 -4.2688 -3.7173 -3.7173 -3.7171 -3.7171 -2.2404 -2.2404 -2.2401 -2.2401 0.0065 0.0065 0.0070 0.0070 1.2486 1.2486 1.2487 1.2487 6.7105 6.7105 6.7105 6.7105 7.3595 7.3595 7.3602 7.3602 8.7384 8.7387 k = 0.5000 0.1223 0.8693 ( 5986 PWs) bands (ev): -17.0723 -17.0723 -17.0723 -17.0723 -16.6021 -16.6021 -16.6020 -16.6020 -12.1812 -12.1812 -12.1810 -12.1810 -10.1707 -10.1707 -10.1705 -10.1705 -7.9694 -7.9694 -7.9694 -7.9694 -6.3877 -6.3877 -6.3871 -6.3871 -5.9706 -5.9706 -5.9705 -5.9705 -5.1835 -5.1835 -5.1833 -5.1833 -4.2718 -4.2718 -4.2709 -4.2709 -3.7192 -3.7192 -3.7190 -3.7190 -2.2361 -2.2361 -2.2358 -2.2358 0.0047 0.0047 0.0052 0.0052 1.2445 1.2445 1.2446 1.2446 6.6994 6.6994 6.6994 6.6994 7.3682 7.3682 7.3688 7.3688 8.7568 8.7571 k = 0.5000 0.0978 0.8693 ( 5984 PWs) bands (ev): -17.0708 -17.0708 -17.0708 -17.0708 -16.6045 -16.6045 -16.6045 -16.6045 -12.1792 -12.1792 -12.1790 -12.1790 -10.1698 -10.1698 -10.1696 -10.1696 -7.9726 -7.9726 -7.9726 -7.9726 -6.3842 -6.3842 -6.3835 -6.3835 -5.9710 -5.9710 -5.9710 -5.9710 -5.1829 -5.1829 -5.1826 -5.1826 -4.2735 -4.2735 -4.2727 -4.2727 -3.7208 -3.7208 -3.7206 -3.7206 -2.2326 -2.2326 -2.2322 -2.2322 0.0032 0.0032 0.0038 0.0038 1.2411 1.2411 1.2412 1.2412 6.6902 6.6902 6.6903 6.6903 7.3755 7.3755 7.3761 7.3761 8.7736 8.7738 k = 0.5000 0.0734 0.8693 ( 5988 PWs) bands (ev): -17.0696 -17.0696 -17.0696 -17.0696 -16.6064 -16.6064 -16.6064 -16.6064 -12.1777 -12.1777 -12.1775 -12.1775 -10.1691 -10.1691 -10.1689 -10.1689 -7.9751 -7.9751 -7.9750 -7.9750 -6.3814 -6.3814 -6.3808 -6.3808 -5.9715 -5.9715 -5.9715 -5.9715 -5.1824 -5.1824 -5.1821 -5.1821 -4.2748 -4.2748 -4.2740 -4.2740 -3.7221 -3.7221 -3.7219 -3.7219 -2.2298 -2.2298 -2.2295 -2.2295 0.0021 0.0021 0.0026 0.0026 1.2384 1.2384 1.2385 1.2385 6.6831 6.6831 6.6831 6.6831 7.3813 7.3813 7.3820 7.3820 8.7879 8.7884 k = 0.5000 0.0489 0.8693 ( 5992 PWs) bands (ev): -17.0687 -17.0687 -17.0687 -17.0687 -16.6078 -16.6078 -16.6078 -16.6078 -12.1766 -12.1766 -12.1764 -12.1764 -10.1686 -10.1686 -10.1684 -10.1684 -7.9768 -7.9768 -7.9768 -7.9768 -6.3794 -6.3794 -6.3788 -6.3788 -5.9718 -5.9718 -5.9718 -5.9718 -5.1820 -5.1820 -5.1818 -5.1818 -4.2758 -4.2758 -4.2750 -4.2750 -3.7230 -3.7230 -3.7228 -3.7228 -2.2278 -2.2278 -2.2275 -2.2275 0.0013 0.0013 0.0018 0.0018 1.2365 1.2365 1.2366 1.2366 6.6779 6.6779 6.6780 6.6780 7.3856 7.3856 7.3863 7.3863 8.7994 8.7998 k = 0.5000 0.0245 0.8693 ( 5994 PWs) bands (ev): -17.0682 -17.0682 -17.0682 -17.0682 -16.6086 -16.6086 -16.6086 -16.6086 -12.1759 -12.1759 -12.1757 -12.1757 -10.1683 -10.1683 -10.1681 -10.1681 -7.9779 -7.9779 -7.9778 -7.9778 -6.3782 -6.3782 -6.3776 -6.3776 -5.9721 -5.9721 -5.9721 -5.9721 -5.1818 -5.1818 -5.1816 -5.1816 -4.2763 -4.2763 -4.2756 -4.2756 -3.7236 -3.7236 -3.7234 -3.7234 -2.2266 -2.2266 -2.2263 -2.2263 0.0008 0.0008 0.0013 0.0013 1.2354 1.2354 1.2354 1.2354 6.6748 6.6748 6.6748 6.6748 7.3882 7.3882 7.3888 7.3888 8.8069 8.8072 k = 0.5000-0.0000 0.8693 ( 5988 PWs) bands (ev): -17.0680 -17.0680 -17.0680 -17.0680 -16.6089 -16.6089 -16.6089 -16.6089 -12.1757 -12.1757 -12.1755 -12.1755 -10.1681 -10.1681 -10.1680 -10.1680 -7.9782 -7.9782 -7.9782 -7.9782 -6.3778 -6.3778 -6.3772 -6.3772 -5.9722 -5.9722 -5.9721 -5.9721 -5.1818 -5.1818 -5.1815 -5.1815 -4.2765 -4.2765 -4.2757 -4.2757 -3.7238 -3.7238 -3.7236 -3.7236 -2.2261 -2.2261 -2.2259 -2.2259 0.0006 0.0006 0.0012 0.0012 1.2350 1.2350 1.2350 1.2350 6.6737 6.6737 6.6738 6.6738 7.3891 7.3891 7.3897 7.3897 8.8095 8.8099 k = 0.5000-0.0000 0.8693 ( 5988 PWs) bands (ev): -17.0680 -17.0680 -17.0680 -17.0680 -16.6089 -16.6089 -16.6089 -16.6089 -12.1757 -12.1757 -12.1755 -12.1755 -10.1681 -10.1681 -10.1680 -10.1680 -7.9782 -7.9782 -7.9782 -7.9782 -6.3778 -6.3778 -6.3772 -6.3772 -5.9722 -5.9722 -5.9721 -5.9721 -5.1818 -5.1818 -5.1815 -5.1815 -4.2765 -4.2765 -4.2757 -4.2757 -3.7238 -3.7238 -3.7236 -3.7236 -2.2261 -2.2261 -2.2259 -2.2259 0.0006 0.0006 0.0012 0.0012 1.2350 1.2350 1.2350 1.2350 6.6737 6.6737 6.6738 6.6738 7.3891 7.3891 7.3897 7.3897 8.8095 8.8099 k = 0.5000-0.0000 0.8452 ( 5992 PWs) bands (ev): -17.0689 -17.0689 -17.0689 -17.0689 -16.6080 -16.6080 -16.6080 -16.6080 -12.1759 -12.1759 -12.1757 -12.1757 -10.1677 -10.1677 -10.1675 -10.1675 -7.9775 -7.9775 -7.9775 -7.9775 -6.3785 -6.3785 -6.3779 -6.3779 -5.9724 -5.9724 -5.9723 -5.9723 -5.1822 -5.1822 -5.1819 -5.1819 -4.2761 -4.2761 -4.2754 -4.2754 -3.7238 -3.7238 -3.7236 -3.7236 -2.2272 -2.2272 -2.2269 -2.2269 0.0010 0.0010 0.0016 0.0016 1.2347 1.2347 1.2348 1.2348 6.6715 6.6715 6.6716 6.6716 7.3933 7.3933 7.3939 7.3939 8.8084 8.8087 k = 0.5000-0.0000 0.8210 ( 5998 PWs) bands (ev): -17.0714 -17.0714 -17.0714 -17.0714 -16.6053 -16.6053 -16.6052 -16.6052 -12.1765 -12.1765 -12.1763 -12.1763 -10.1663 -10.1663 -10.1661 -10.1661 -7.9755 -7.9755 -7.9754 -7.9754 -6.3806 -6.3806 -6.3800 -6.3800 -5.9730 -5.9730 -5.9730 -5.9730 -5.1834 -5.1834 -5.1832 -5.1832 -4.2750 -4.2750 -4.2742 -4.2742 -3.7241 -3.7241 -3.7239 -3.7239 -2.2305 -2.2305 -2.2302 -2.2302 0.0024 0.0024 0.0029 0.0029 1.2338 1.2338 1.2339 1.2339 6.6651 6.6651 6.6652 6.6652 7.4056 7.4056 7.4063 7.4063 8.8050 8.8051 k = 0.5000-0.0000 0.7969 ( 5996 PWs) bands (ev): -17.0754 -17.0754 -17.0754 -17.0754 -16.6008 -16.6008 -16.6008 -16.6008 -12.1775 -12.1775 -12.1773 -12.1773 -10.1640 -10.1640 -10.1638 -10.1638 -7.9720 -7.9720 -7.9720 -7.9720 -6.3841 -6.3841 -6.3835 -6.3835 -5.9740 -5.9740 -5.9740 -5.9740 -5.1854 -5.1854 -5.1852 -5.1852 -4.2730 -4.2730 -4.2723 -4.2723 -3.7244 -3.7244 -3.7242 -3.7242 -2.2358 -2.2358 -2.2355 -2.2355 0.0045 0.0045 0.0051 0.0051 1.2324 1.2324 1.2325 1.2325 6.6550 6.6550 6.6550 6.6550 7.4256 7.4256 7.4263 7.4263 8.8001 8.8004 k = 0.5000-0.0000 0.7727 ( 5996 PWs) bands (ev): -17.0810 -17.0810 -17.0810 -17.0810 -16.5948 -16.5948 -16.5947 -16.5947 -12.1789 -12.1789 -12.1788 -12.1788 -10.1609 -10.1609 -10.1607 -10.1607 -7.9672 -7.9672 -7.9672 -7.9672 -6.3890 -6.3890 -6.3884 -6.3884 -5.9755 -5.9755 -5.9755 -5.9755 -5.1882 -5.1882 -5.1880 -5.1880 -4.2704 -4.2704 -4.2696 -4.2696 -3.7249 -3.7249 -3.7247 -3.7247 -2.2432 -2.2432 -2.2429 -2.2429 0.0075 0.0075 0.0081 0.0081 1.2304 1.2304 1.2305 1.2305 6.6418 6.6418 6.6419 6.6419 7.4525 7.4525 7.4531 7.4531 8.7943 8.7948 k = 0.5000-0.0000 0.7486 ( 6000 PWs) bands (ev): -17.0879 -17.0879 -17.0879 -17.0879 -16.5872 -16.5872 -16.5872 -16.5872 -12.1807 -12.1807 -12.1805 -12.1805 -10.1568 -10.1568 -10.1566 -10.1566 -7.9611 -7.9611 -7.9610 -7.9610 -6.3952 -6.3952 -6.3946 -6.3946 -5.9775 -5.9775 -5.9775 -5.9775 -5.1917 -5.1917 -5.1915 -5.1915 -4.2670 -4.2670 -4.2662 -4.2662 -3.7255 -3.7255 -3.7253 -3.7253 -2.2527 -2.2527 -2.2524 -2.2524 0.0113 0.0113 0.0119 0.0119 1.2279 1.2279 1.2280 1.2280 6.6265 6.6265 6.6265 6.6265 7.4852 7.4852 7.4858 7.4858 8.7886 8.7891 k = 0.5000-0.0000 0.7244 ( 6004 PWs) bands (ev): -17.0959 -17.0959 -17.0959 -17.0959 -16.5784 -16.5784 -16.5784 -16.5784 -12.1829 -12.1829 -12.1827 -12.1827 -10.1520 -10.1520 -10.1518 -10.1518 -7.9536 -7.9536 -7.9535 -7.9535 -6.4027 -6.4027 -6.4021 -6.4021 -5.9800 -5.9800 -5.9799 -5.9799 -5.1959 -5.1959 -5.1957 -5.1957 -4.2629 -4.2629 -4.2621 -4.2621 -3.7263 -3.7263 -3.7261 -3.7261 -2.2640 -2.2640 -2.2638 -2.2638 0.0159 0.0159 0.0165 0.0165 1.2249 1.2249 1.2250 1.2250 6.6098 6.6098 6.6098 6.6098 7.5228 7.5228 7.5235 7.5235 8.7833 8.7838 k = 0.5000-0.0000 0.7003 ( 6002 PWs) bands (ev): -17.1049 -17.1049 -17.1049 -17.1049 -16.5685 -16.5685 -16.5685 -16.5685 -12.1854 -12.1854 -12.1852 -12.1852 -10.1463 -10.1463 -10.1461 -10.1461 -7.9448 -7.9448 -7.9447 -7.9447 -6.4114 -6.4114 -6.4109 -6.4109 -5.9830 -5.9830 -5.9829 -5.9829 -5.2007 -5.2007 -5.2005 -5.2005 -4.2581 -4.2581 -4.2574 -4.2574 -3.7271 -3.7271 -3.7270 -3.7270 -2.2772 -2.2772 -2.2770 -2.2770 0.0211 0.0211 0.0217 0.0217 1.2214 1.2214 1.2215 1.2215 6.5923 6.5923 6.5923 6.5923 7.5645 7.5645 7.5652 7.5652 8.7788 8.7793 k = 0.5000-0.0000 0.6761 ( 6002 PWs) bands (ev): -17.1147 -17.1147 -17.1147 -17.1147 -16.5576 -16.5576 -16.5576 -16.5576 -12.1882 -12.1882 -12.1880 -12.1880 -10.1399 -10.1399 -10.1397 -10.1397 -7.9346 -7.9346 -7.9346 -7.9346 -6.4214 -6.4214 -6.4209 -6.4209 -5.9866 -5.9866 -5.9865 -5.9865 -5.2060 -5.2060 -5.2058 -5.2058 -4.2527 -4.2527 -4.2520 -4.2520 -3.7281 -3.7281 -3.7279 -3.7279 -2.2922 -2.2922 -2.2919 -2.2919 0.0269 0.0269 0.0276 0.0276 1.2174 1.2174 1.2176 1.2176 6.5746 6.5746 6.5747 6.5747 7.6095 7.6095 7.6102 7.6102 8.7753 8.7757 k = 0.5000-0.0000 0.6520 ( 6008 PWs) bands (ev): -17.1252 -17.1252 -17.1252 -17.1252 -16.5460 -16.5460 -16.5460 -16.5460 -12.1913 -12.1913 -12.1911 -12.1911 -10.1328 -10.1328 -10.1326 -10.1326 -7.9233 -7.9233 -7.9232 -7.9232 -6.4324 -6.4324 -6.4320 -6.4320 -5.9909 -5.9909 -5.9908 -5.9908 -5.2117 -5.2117 -5.2115 -5.2115 -4.2468 -4.2468 -4.2461 -4.2461 -3.7291 -3.7291 -3.7290 -3.7290 -2.3087 -2.3087 -2.3084 -2.3084 0.0333 0.0333 0.0340 0.0340 1.2130 1.2130 1.2133 1.2133 6.5572 6.5572 6.5573 6.5573 7.6571 7.6571 7.6579 7.6579 8.7729 8.7732 k = 0.5000-0.0000 0.6278 ( 6012 PWs) bands (ev): -17.1361 -17.1361 -17.1361 -17.1361 -16.5338 -16.5338 -16.5338 -16.5338 -12.1947 -12.1947 -12.1945 -12.1945 -10.1250 -10.1250 -10.1249 -10.1249 -7.9106 -7.9106 -7.9105 -7.9105 -6.4446 -6.4446 -6.4442 -6.4442 -5.9958 -5.9958 -5.9956 -5.9956 -5.2177 -5.2177 -5.2175 -5.2175 -4.2403 -4.2403 -4.2396 -4.2396 -3.7303 -3.7303 -3.7301 -3.7301 -2.3267 -2.3267 -2.3264 -2.3264 0.0402 0.0402 0.0409 0.0409 1.2083 1.2083 1.2086 1.2086 6.5405 6.5405 6.5405 6.5405 7.7068 7.7068 7.7075 7.7075 8.7717 8.7719 k = 0.5000-0.0000 0.6037 ( 6004 PWs) bands (ev): -17.1474 -17.1474 -17.1474 -17.1474 -16.5211 -16.5211 -16.5211 -16.5211 -12.1982 -12.1982 -12.1981 -12.1981 -10.1167 -10.1167 -10.1165 -10.1165 -7.8967 -7.8967 -7.8966 -7.8966 -6.4578 -6.4578 -6.4575 -6.4575 -6.0013 -6.0013 -6.0012 -6.0012 -5.2239 -5.2239 -5.2238 -5.2238 -4.2333 -4.2333 -4.2326 -4.2326 -3.7315 -3.7315 -3.7313 -3.7313 -2.3460 -2.3460 -2.3457 -2.3457 0.0475 0.0475 0.0482 0.0482 1.2032 1.2032 1.2035 1.2035 6.5246 6.5246 6.5246 6.5246 7.7579 7.7579 7.7586 7.7586 8.7718 8.7719 k = 0.5000-0.0000 0.5795 ( 6006 PWs) bands (ev): -17.1590 -17.1590 -17.1590 -17.1590 -16.5081 -16.5081 -16.5081 -16.5081 -12.2021 -12.2021 -12.2019 -12.2019 -10.1078 -10.1078 -10.1077 -10.1077 -7.8817 -7.8817 -7.8816 -7.8816 -6.4721 -6.4721 -6.4717 -6.4717 -6.0076 -6.0076 -6.0075 -6.0075 -5.2303 -5.2303 -5.2302 -5.2302 -4.2258 -4.2258 -4.2252 -4.2252 -3.7327 -3.7327 -3.7326 -3.7326 -2.3665 -2.3665 -2.3662 -2.3662 0.0550 0.0550 0.0558 0.0558 1.1979 1.1979 1.1982 1.1982 6.5097 6.5097 6.5098 6.5098 7.8100 7.8100 7.8108 7.8108 8.7732 8.7738 k = 0.5000-0.0000 0.5554 ( 6006 PWs) bands (ev): -17.1707 -17.1707 -17.1707 -17.1707 -16.4949 -16.4949 -16.4949 -16.4949 -12.2060 -12.2060 -12.2059 -12.2059 -10.0986 -10.0986 -10.0984 -10.0984 -7.8654 -7.8654 -7.8654 -7.8654 -6.4872 -6.4872 -6.4869 -6.4869 -6.0147 -6.0147 -6.0145 -6.0145 -5.2367 -5.2367 -5.2366 -5.2366 -4.2180 -4.2180 -4.2174 -4.2174 -3.7340 -3.7340 -3.7339 -3.7339 -2.3881 -2.3881 -2.3878 -2.3878 0.0629 0.0629 0.0636 0.0636 1.1923 1.1923 1.1927 1.1927 6.4960 6.4960 6.4961 6.4961 7.8627 7.8627 7.8635 7.8635 8.7758 8.7758 k = 0.5000-0.0000 0.5312 ( 6006 PWs) bands (ev): -17.1824 -17.1824 -17.1824 -17.1824 -16.4816 -16.4816 -16.4816 -16.4816 -12.2101 -12.2101 -12.2100 -12.2100 -10.0889 -10.0889 -10.0887 -10.0887 -7.8481 -7.8481 -7.8480 -7.8480 -6.5032 -6.5032 -6.5030 -6.5030 -6.0224 -6.0224 -6.0223 -6.0223 -5.2431 -5.2431 -5.2430 -5.2430 -4.2098 -4.2098 -4.2092 -4.2092 -3.7354 -3.7354 -3.7352 -3.7352 -2.4104 -2.4104 -2.4101 -2.4101 0.0708 0.0708 0.0716 0.0716 1.1865 1.1865 1.1869 1.1869 6.4836 6.4836 6.4837 6.4837 7.9156 7.9156 7.9165 7.9165 8.7796 8.7796 k = 0.5000-0.0000 0.5071 ( 6002 PWs) bands (ev): -17.1940 -17.1940 -17.1940 -17.1940 -16.4683 -16.4683 -16.4683 -16.4683 -12.2143 -12.2143 -12.2141 -12.2141 -10.0789 -10.0789 -10.0787 -10.0787 -7.8298 -7.8298 -7.8297 -7.8297 -6.5200 -6.5200 -6.5198 -6.5198 -6.0309 -6.0309 -6.0307 -6.0307 -5.2493 -5.2493 -5.2493 -5.2493 -4.2013 -4.2013 -4.2008 -4.2008 -3.7368 -3.7368 -3.7367 -3.7367 -2.4334 -2.4334 -2.4331 -2.4331 0.0789 0.0789 0.0797 0.0797 1.1806 1.1806 1.1810 1.1810 6.4724 6.4724 6.4726 6.4726 7.9685 7.9685 7.9694 7.9694 8.7845 8.7846 k = 0.5000-0.0000 0.4829 ( 6004 PWs) bands (ev): -17.2055 -17.2055 -17.2055 -17.2055 -16.4551 -16.4551 -16.4551 -16.4551 -12.2186 -12.2186 -12.2184 -12.2184 -10.0687 -10.0687 -10.0685 -10.0685 -7.8104 -7.8104 -7.8103 -7.8103 -6.5376 -6.5376 -6.5374 -6.5374 -6.0401 -6.0401 -6.0399 -6.0399 -5.2553 -5.2553 -5.2553 -5.2553 -4.1926 -4.1926 -4.1921 -4.1921 -3.7383 -3.7383 -3.7382 -3.7382 -2.4569 -2.4569 -2.4566 -2.4566 0.0869 0.0869 0.0878 0.0878 1.1746 1.1746 1.1751 1.1751 6.4625 6.4625 6.4627 6.4627 8.0212 8.0212 8.0221 8.0221 8.7906 8.7908 k = 0.5000-0.0000 0.4588 ( 5998 PWs) bands (ev): -17.2168 -17.2168 -17.2167 -17.2167 -16.4422 -16.4422 -16.4421 -16.4421 -12.2228 -12.2228 -12.2227 -12.2227 -10.0584 -10.0584 -10.0582 -10.0582 -7.7901 -7.7901 -7.7900 -7.7900 -6.5558 -6.5558 -6.5557 -6.5557 -6.0499 -6.0499 -6.0497 -6.0497 -5.2610 -5.2610 -5.2610 -5.2610 -4.1836 -4.1836 -4.1832 -4.1832 -3.7398 -3.7398 -3.7397 -3.7397 -2.4807 -2.4807 -2.4804 -2.4804 0.0949 0.0949 0.0957 0.0957 1.1686 1.1686 1.1691 1.1691 6.4539 6.4539 6.4540 6.4540 8.0733 8.0733 8.0742 8.0742 8.7976 8.7977 k = 0.5000-0.0000 0.4347 ( 5992 PWs) bands (ev): -17.2277 -17.2277 -17.2277 -17.2277 -16.4294 -16.4294 -16.4294 -16.4294 -12.2271 -12.2271 -12.2270 -12.2270 -10.0479 -10.0479 -10.0478 -10.0478 -7.7690 -7.7690 -7.7688 -7.7688 -6.5747 -6.5747 -6.5746 -6.5746 -6.0603 -6.0603 -6.0601 -6.0601 -5.2663 -5.2663 -5.2663 -5.2663 -4.1746 -4.1746 -4.1742 -4.1742 -3.7414 -3.7414 -3.7413 -3.7413 -2.5047 -2.5047 -2.5044 -2.5044 0.1027 0.1027 0.1036 0.1036 1.1626 1.1626 1.1631 1.1631 6.4464 6.4464 6.4466 6.4466 8.1248 8.1248 8.1257 8.1257 8.8056 8.8057 k = 0.5000-0.0000 0.4105 ( 5994 PWs) bands (ev): -17.2384 -17.2384 -17.2384 -17.2384 -16.4171 -16.4171 -16.4171 -16.4171 -12.2314 -12.2314 -12.2313 -12.2313 -10.0375 -10.0375 -10.0374 -10.0374 -7.7470 -7.7470 -7.7469 -7.7469 -6.5942 -6.5942 -6.5942 -6.5942 -6.0712 -6.0712 -6.0710 -6.0710 -5.2713 -5.2713 -5.2712 -5.2712 -4.1655 -4.1655 -4.1651 -4.1651 -3.7430 -3.7430 -3.7429 -3.7429 -2.5286 -2.5286 -2.5283 -2.5283 0.1103 0.1103 0.1112 0.1112 1.1567 1.1567 1.1573 1.1573 6.4401 6.4401 6.4402 6.4402 8.1756 8.1756 8.1765 8.1765 8.8145 8.8145 k = 0.5000-0.0000 0.3864 ( 5994 PWs) bands (ev): -17.2487 -17.2487 -17.2486 -17.2486 -16.4051 -16.4051 -16.4051 -16.4051 -12.2356 -12.2356 -12.2355 -12.2355 -10.0272 -10.0272 -10.0270 -10.0270 -7.7243 -7.7243 -7.7242 -7.7242 -6.6143 -6.6143 -6.6143 -6.6143 -6.0826 -6.0826 -6.0824 -6.0824 -5.2758 -5.2758 -5.2757 -5.2757 -4.1563 -4.1563 -4.1560 -4.1560 -3.7447 -3.7447 -3.7446 -3.7446 -2.5522 -2.5522 -2.5519 -2.5519 0.1177 0.1177 0.1185 0.1185 1.1509 1.1509 1.1515 1.1515 6.4347 6.4347 6.4349 6.4349 8.2255 8.2255 8.2265 8.2265 8.8241 8.8241 k = 0.5000-0.0000 0.3622 ( 6000 PWs) bands (ev): -17.2585 -17.2585 -17.2585 -17.2585 -16.3936 -16.3936 -16.3936 -16.3936 -12.2397 -12.2397 -12.2396 -12.2396 -10.0170 -10.0170 -10.0169 -10.0169 -7.7011 -7.7011 -7.7009 -7.7009 -6.6348 -6.6348 -6.6348 -6.6348 -6.0942 -6.0942 -6.0940 -6.0940 -5.2798 -5.2798 -5.2798 -5.2798 -4.1472 -4.1472 -4.1469 -4.1469 -3.7465 -3.7465 -3.7464 -3.7464 -2.5755 -2.5755 -2.5752 -2.5752 0.1247 0.1247 0.1256 0.1256 1.1453 1.1453 1.1459 1.1459 6.4304 6.4304 6.4305 6.4305 8.2746 8.2746 8.2755 8.2755 8.8344 8.8345 k = 0.5000-0.0000 0.3381 ( 6002 PWs) bands (ev): -17.2679 -17.2679 -17.2678 -17.2678 -16.3826 -16.3826 -16.3826 -16.3826 -12.2437 -12.2437 -12.2436 -12.2436 -10.0071 -10.0071 -10.0070 -10.0070 -7.6774 -7.6774 -7.6772 -7.6772 -6.6558 -6.6558 -6.6557 -6.6557 -6.1060 -6.1060 -6.1058 -6.1058 -5.2834 -5.2834 -5.2834 -5.2834 -4.1381 -4.1381 -4.1379 -4.1379 -3.7483 -3.7483 -3.7483 -3.7483 -2.5982 -2.5982 -2.5979 -2.5979 0.1314 0.1314 0.1322 0.1322 1.1399 1.1399 1.1405 1.1405 6.4269 6.4269 6.4270 6.4270 8.3228 8.3228 8.3237 8.3237 8.8451 8.8452 k = 0.5000-0.0000 0.3139 ( 5996 PWs) bands (ev): -17.2767 -17.2767 -17.2767 -17.2767 -16.3721 -16.3721 -16.3721 -16.3721 -12.2475 -12.2475 -12.2474 -12.2474 -9.9975 -9.9975 -9.9974 -9.9974 -7.6532 -7.6532 -7.6531 -7.6531 -6.6770 -6.6770 -6.6769 -6.6769 -6.1178 -6.1178 -6.1176 -6.1176 -5.2866 -5.2866 -5.2865 -5.2865 -4.1293 -4.1293 -4.1291 -4.1291 -3.7502 -3.7502 -3.7502 -3.7502 -2.6201 -2.6201 -2.6198 -2.6198 0.1377 0.1377 0.1385 0.1385 1.1348 1.1348 1.1354 1.1354 6.4241 6.4241 6.4243 6.4243 8.3701 8.3701 8.3710 8.3710 8.8564 8.8564 k = 0.5000-0.0000 0.2898 ( 5992 PWs) bands (ev): -17.2850 -17.2850 -17.2850 -17.2850 -16.3623 -16.3623 -16.3622 -16.3622 -12.2512 -12.2512 -12.2511 -12.2511 -9.9883 -9.9883 -9.9881 -9.9881 -7.6289 -7.6289 -7.6287 -7.6287 -6.6984 -6.6984 -6.6983 -6.6983 -6.1295 -6.1295 -6.1294 -6.1294 -5.2893 -5.2893 -5.2892 -5.2892 -4.1206 -4.1206 -4.1205 -4.1205 -3.7521 -3.7521 -3.7521 -3.7521 -2.6411 -2.6411 -2.6409 -2.6409 0.1435 0.1435 0.1443 0.1443 1.1300 1.1300 1.1306 1.1306 6.4220 6.4220 6.4222 6.4222 8.4164 8.4164 8.4173 8.4173 8.8679 8.8679 k = 0.5000-0.0000 0.2656 ( 5990 PWs) bands (ev): -17.2928 -17.2928 -17.2927 -17.2927 -16.3530 -16.3530 -16.3530 -16.3530 -12.2546 -12.2546 -12.2545 -12.2545 -9.9795 -9.9795 -9.9794 -9.9794 -7.6046 -7.6046 -7.6044 -7.6044 -6.7200 -6.7200 -6.7198 -6.7198 -6.1410 -6.1410 -6.1408 -6.1408 -5.2916 -5.2916 -5.2914 -5.2914 -4.1122 -4.1122 -4.1121 -4.1121 -3.7541 -3.7541 -3.7541 -3.7541 -2.6611 -2.6611 -2.6608 -2.6608 0.1489 0.1489 0.1497 0.1497 1.1255 1.1255 1.1260 1.1260 6.4205 6.4205 6.4207 6.4207 8.4618 8.4618 8.4627 8.4627 8.8797 8.8797 k = 0.5000-0.0000 0.2415 ( 5990 PWs) bands (ev): -17.2999 -17.2999 -17.2999 -17.2999 -16.3445 -16.3445 -16.3445 -16.3445 -12.2579 -12.2579 -12.2578 -12.2578 -9.9712 -9.9712 -9.9711 -9.9711 -7.5803 -7.5803 -7.5802 -7.5802 -6.7414 -6.7414 -6.7412 -6.7412 -6.1520 -6.1520 -6.1519 -6.1519 -5.2935 -5.2935 -5.2933 -5.2933 -4.1042 -4.1042 -4.1041 -4.1041 -3.7561 -3.7561 -3.7561 -3.7561 -2.6798 -2.6798 -2.6796 -2.6796 0.1539 0.1539 0.1546 0.1546 1.1213 1.1213 1.1218 1.1218 6.4194 6.4194 6.4196 6.4196 8.5061 8.5061 8.5069 8.5069 8.8916 8.8916 k = 0.5000-0.0000 0.2173 ( 5996 PWs) bands (ev): -17.3064 -17.3064 -17.3064 -17.3064 -16.3367 -16.3367 -16.3367 -16.3367 -12.2608 -12.2608 -12.2608 -12.2608 -9.9636 -9.9636 -9.9635 -9.9635 -7.5566 -7.5566 -7.5564 -7.5564 -6.7625 -6.7625 -6.7624 -6.7624 -6.1625 -6.1625 -6.1624 -6.1624 -5.2950 -5.2950 -5.2949 -5.2949 -4.0967 -4.0967 -4.0966 -4.0966 -3.7581 -3.7581 -3.7580 -3.7580 -2.6972 -2.6972 -2.6970 -2.6970 0.1584 0.1584 0.1591 0.1591 1.1175 1.1175 1.1180 1.1180 6.4188 6.4188 6.4189 6.4189 8.5491 8.5491 8.5499 8.5499 8.9036 8.9036 k = 0.5000-0.0000 0.1932 ( 6002 PWs) bands (ev): -17.3124 -17.3124 -17.3123 -17.3123 -16.3296 -16.3296 -16.3296 -16.3296 -12.2636 -12.2636 -12.2635 -12.2635 -9.9566 -9.9566 -9.9565 -9.9565 -7.5335 -7.5335 -7.5333 -7.5333 -6.7832 -6.7832 -6.7830 -6.7830 -6.1723 -6.1723 -6.1722 -6.1722 -5.2963 -5.2963 -5.2961 -5.2961 -4.0896 -4.0896 -4.0896 -4.0896 -3.7600 -3.7600 -3.7600 -3.7600 -2.7132 -2.7132 -2.7130 -2.7130 0.1624 0.1624 0.1630 0.1630 1.1140 1.1140 1.1145 1.1145 6.4184 6.4184 6.4185 6.4185 8.5905 8.5905 8.5912 8.5912 8.9156 8.9156 k = 0.5000-0.0000 0.1690 ( 5996 PWs) bands (ev): -17.3176 -17.3176 -17.3176 -17.3176 -16.3233 -16.3233 -16.3233 -16.3233 -12.2660 -12.2660 -12.2660 -12.2660 -9.9502 -9.9502 -9.9502 -9.9502 -7.5114 -7.5114 -7.5112 -7.5112 -6.8030 -6.8030 -6.8028 -6.8028 -6.1813 -6.1813 -6.1812 -6.1812 -5.2972 -5.2972 -5.2971 -5.2971 -4.0831 -4.0831 -4.0831 -4.0831 -3.7619 -3.7619 -3.7619 -3.7619 -2.7275 -2.7275 -2.7273 -2.7273 0.1659 0.1659 0.1665 0.1665 1.1110 1.1110 1.1114 1.1114 6.4182 6.4182 6.4184 6.4184 8.6298 8.6298 8.6305 8.6305 8.9276 8.9277 k = 0.5000-0.0000 0.1449 ( 6000 PWs) bands (ev): -17.3222 -17.3222 -17.3222 -17.3222 -16.3178 -16.3178 -16.3178 -16.3178 -12.2682 -12.2682 -12.2681 -12.2681 -9.9447 -9.9447 -9.9446 -9.9446 -7.4907 -7.4907 -7.4906 -7.4906 -6.8216 -6.8216 -6.8214 -6.8214 -6.1893 -6.1893 -6.1892 -6.1892 -5.2980 -5.2980 -5.2979 -5.2979 -4.0773 -4.0773 -4.0773 -4.0773 -3.7637 -3.7637 -3.7636 -3.7636 -2.7401 -2.7401 -2.7400 -2.7400 0.1689 0.1689 0.1694 0.1694 1.1083 1.1083 1.1087 1.1087 6.4182 6.4182 6.4184 6.4184 8.6665 8.6665 8.6671 8.6671 8.9395 8.9395 k = 0.5000-0.0000 0.1207 ( 5994 PWs) bands (ev): -17.3260 -17.3260 -17.3260 -17.3260 -16.3131 -16.3131 -16.3131 -16.3131 -12.2700 -12.2700 -12.2699 -12.2699 -9.9398 -9.9398 -9.9398 -9.9398 -7.4719 -7.4719 -7.4717 -7.4717 -6.8386 -6.8386 -6.8385 -6.8385 -6.1963 -6.1963 -6.1962 -6.1962 -5.2985 -5.2985 -5.2984 -5.2984 -4.0722 -4.0722 -4.0722 -4.0722 -3.7653 -3.7653 -3.7652 -3.7652 -2.7510 -2.7510 -2.7508 -2.7508 0.1715 0.1715 0.1719 0.1719 1.1061 1.1061 1.1064 1.1064 6.4183 6.4183 6.4184 6.4184 8.6997 8.6997 8.7002 8.7002 8.9514 8.9514 k = 0.5000-0.0000 0.0966 ( 5988 PWs) bands (ev): -17.3292 -17.3292 -17.3292 -17.3292 -16.3093 -16.3093 -16.3093 -16.3093 -12.2715 -12.2715 -12.2715 -12.2715 -9.9359 -9.9359 -9.9358 -9.9358 -7.4554 -7.4554 -7.4553 -7.4553 -6.8536 -6.8536 -6.8535 -6.8535 -6.2021 -6.2021 -6.2020 -6.2020 -5.2989 -5.2989 -5.2988 -5.2988 -4.0680 -4.0680 -4.0680 -4.0680 -3.7666 -3.7666 -3.7666 -3.7666 -2.7599 -2.7599 -2.7598 -2.7598 0.1736 0.1736 0.1740 0.1740 1.1043 1.1043 1.1046 1.1046 6.4185 6.4185 6.4186 6.4186 8.7284 8.7284 8.7288 8.7288 8.9629 8.9629 k = 0.5000-0.0000 0.0724 ( 5988 PWs) bands (ev): -17.3317 -17.3317 -17.3317 -17.3317 -16.3062 -16.3062 -16.3062 -16.3062 -12.2727 -12.2727 -12.2726 -12.2726 -9.9327 -9.9327 -9.9327 -9.9327 -7.4418 -7.4418 -7.4417 -7.4417 -6.8660 -6.8660 -6.8659 -6.8659 -6.2067 -6.2067 -6.2067 -6.2067 -5.2992 -5.2992 -5.2991 -5.2991 -4.0646 -4.0646 -4.0646 -4.0646 -3.7678 -3.7678 -3.7677 -3.7677 -2.7670 -2.7670 -2.7669 -2.7669 0.1752 0.1752 0.1755 0.1755 1.1029 1.1029 1.1031 1.1031 6.4187 6.4187 6.4187 6.4187 8.7518 8.7518 8.7521 8.7521 8.9736 8.9736 k = 0.5000-0.0000 0.0483 ( 5994 PWs) bands (ev): -17.3335 -17.3335 -17.3335 -17.3335 -16.3041 -16.3041 -16.3041 -16.3041 -12.2735 -12.2735 -12.2735 -12.2735 -9.9305 -9.9305 -9.9305 -9.9305 -7.4316 -7.4316 -7.4316 -7.4316 -6.8753 -6.8753 -6.8753 -6.8753 -6.2100 -6.2100 -6.2100 -6.2100 -5.2994 -5.2994 -5.2993 -5.2993 -4.0621 -4.0621 -4.0621 -4.0621 -3.7686 -3.7686 -3.7686 -3.7686 -2.7721 -2.7721 -2.7720 -2.7720 0.1764 0.1764 0.1766 0.1766 1.1019 1.1019 1.1020 1.1020 6.4188 6.4188 6.4189 6.4189 8.7689 8.7689 8.7691 8.7691 8.9826 8.9826 k = 0.5000-0.0000 0.0241 ( 5988 PWs) bands (ev): -17.3346 -17.3346 -17.3346 -17.3346 -16.3028 -16.3028 -16.3028 -16.3028 -12.2740 -12.2740 -12.2740 -12.2740 -9.9291 -9.9291 -9.9291 -9.9291 -7.4253 -7.4253 -7.4253 -7.4253 -6.8811 -6.8811 -6.8811 -6.8811 -6.2121 -6.2121 -6.2120 -6.2120 -5.2995 -5.2995 -5.2994 -5.2994 -4.0606 -4.0606 -4.0606 -4.0606 -3.7691 -3.7691 -3.7691 -3.7691 -2.7751 -2.7751 -2.7751 -2.7751 0.1771 0.1771 0.1772 0.1772 1.1013 1.1013 1.1014 1.1014 6.4189 6.4189 6.4189 6.4189 8.7795 8.7795 8.7796 8.7796 8.9887 8.9887 k = 0.5000-0.0000-0.0000 ( 5980 PWs) bands (ev): -17.3350 -17.3350 -17.3350 -17.3350 -16.3023 -16.3023 -16.3023 -16.3023 -12.2742 -12.2742 -12.2742 -12.2742 -9.9287 -9.9287 -9.9287 -9.9287 -7.4231 -7.4231 -7.4231 -7.4231 -6.8830 -6.8830 -6.8830 -6.8830 -6.2127 -6.2127 -6.2127 -6.2127 -5.2995 -5.2995 -5.2995 -5.2995 -4.0601 -4.0601 -4.0601 -4.0601 -3.7693 -3.7693 -3.7693 -3.7693 -2.7761 -2.7761 -2.7761 -2.7761 0.1774 0.1774 0.1774 0.1774 1.1011 1.1011 1.1011 1.1011 6.4190 6.4190 6.4190 6.4190 8.7830 8.7830 8.7830 8.7830 8.9909 8.9909 k = 0.0000 0.0000 0.8693 ( 6000 PWs) bands (ev): -17.0705 -17.0705 -17.0705 -17.0705 -16.6056 -16.6056 -16.6056 -16.6056 -12.1780 -12.1780 -12.1780 -12.1780 -10.1682 -10.1682 -10.1682 -10.1682 -7.9521 -7.9521 -7.9521 -7.9521 -6.5008 -6.5008 -6.5008 -6.5008 -5.8730 -5.8730 -5.8730 -5.8730 -5.1830 -5.1830 -5.1830 -5.1830 -4.2724 -4.2724 -4.2724 -4.2724 -3.7188 -3.7188 -3.7188 -3.7188 -2.2359 -2.2359 -2.2359 -2.2359 0.0654 0.0654 0.0654 0.0654 1.1631 1.1631 1.1631 1.1631 6.5357 6.5357 6.5357 6.5357 7.5058 7.5058 7.5058 7.5058 8.4089 8.4089 k = 0.0238-0.0000 0.8693 ( 6004 PWs) bands (ev): -17.0705 -17.0705 -17.0705 -17.0705 -16.6057 -16.6057 -16.6057 -16.6057 -12.1780 -12.1780 -12.1779 -12.1779 -10.1682 -10.1682 -10.1682 -10.1682 -7.9523 -7.9523 -7.9523 -7.9523 -6.5003 -6.5003 -6.5002 -6.5002 -5.8735 -5.8735 -5.8735 -5.8735 -5.1830 -5.1830 -5.1830 -5.1830 -4.2724 -4.2724 -4.2724 -4.2724 -3.7188 -3.7188 -3.7188 -3.7188 -2.2358 -2.2358 -2.2358 -2.2358 0.0650 0.0650 0.0650 0.0650 1.1635 1.1635 1.1635 1.1635 6.5364 6.5364 6.5364 6.5364 7.5052 7.5052 7.5053 7.5053 8.4097 8.4097 k = 0.0476-0.0000 0.8693 ( 6006 PWs) bands (ev): -17.0705 -17.0705 -17.0705 -17.0705 -16.6057 -16.6057 -16.6057 -16.6057 -12.1779 -12.1779 -12.1779 -12.1779 -10.1682 -10.1682 -10.1682 -10.1682 -7.9527 -7.9527 -7.9527 -7.9527 -6.4985 -6.4985 -6.4984 -6.4984 -5.8749 -5.8749 -5.8748 -5.8748 -5.1830 -5.1830 -5.1830 -5.1830 -4.2725 -4.2725 -4.2724 -4.2724 -3.7189 -3.7189 -3.7189 -3.7189 -2.2357 -2.2357 -2.2356 -2.2356 0.0638 0.0638 0.0639 0.0639 1.1648 1.1648 1.1648 1.1648 6.5384 6.5384 6.5385 6.5385 7.5035 7.5035 7.5035 7.5035 8.4121 8.4121 k = 0.0714-0.0000 0.8693 ( 6008 PWs) bands (ev): -17.0704 -17.0704 -17.0704 -17.0704 -16.6058 -16.6058 -16.6058 -16.6058 -12.1779 -12.1779 -12.1778 -12.1778 -10.1682 -10.1682 -10.1682 -10.1682 -7.9535 -7.9535 -7.9534 -7.9534 -6.4956 -6.4956 -6.4955 -6.4955 -5.8771 -5.8771 -5.8771 -5.8771 -5.1830 -5.1830 -5.1829 -5.1829 -4.2727 -4.2727 -4.2725 -4.2725 -3.7191 -3.7191 -3.7190 -3.7190 -2.2354 -2.2354 -2.2354 -2.2354 0.0619 0.0619 0.0621 0.0621 1.1669 1.1669 1.1669 1.1669 6.5419 6.5419 6.5419 6.5419 7.5006 7.5006 7.5007 7.5007 8.4162 8.4162 k = 0.0952-0.0000 0.8693 ( 6012 PWs) bands (ev): -17.0703 -17.0703 -17.0703 -17.0703 -16.6060 -16.6060 -16.6059 -16.6059 -12.1778 -12.1778 -12.1777 -12.1777 -10.1682 -10.1682 -10.1682 -10.1682 -7.9545 -7.9545 -7.9544 -7.9544 -6.4916 -6.4916 -6.4915 -6.4915 -5.8802 -5.8802 -5.8802 -5.8802 -5.1829 -5.1829 -5.1829 -5.1829 -4.2729 -4.2729 -4.2726 -4.2726 -3.7193 -3.7193 -3.7192 -3.7192 -2.2351 -2.2351 -2.2350 -2.2350 0.0594 0.0594 0.0596 0.0596 1.1697 1.1697 1.1697 1.1697 6.5466 6.5466 6.5467 6.5467 7.4966 7.4966 7.4967 7.4967 8.4220 8.4220 k = 0.1190-0.0000 0.8693 ( 6012 PWs) bands (ev): -17.0702 -17.0702 -17.0702 -17.0702 -16.6061 -16.6061 -16.6061 -16.6061 -12.1777 -12.1777 -12.1776 -12.1776 -10.1682 -10.1682 -10.1682 -10.1682 -7.9557 -7.9557 -7.9557 -7.9557 -6.4866 -6.4866 -6.4864 -6.4864 -5.8841 -5.8841 -5.8841 -5.8841 -5.1829 -5.1829 -5.1828 -5.1828 -4.2731 -4.2731 -4.2728 -4.2728 -3.7195 -3.7195 -3.7194 -3.7194 -2.2347 -2.2347 -2.2346 -2.2346 0.0562 0.0562 0.0564 0.0564 1.1732 1.1732 1.1732 1.1732 6.5526 6.5526 6.5527 6.5527 7.4916 7.4916 7.4918 7.4918 8.4296 8.4297 k = 0.1429-0.0000 0.8693 ( 6018 PWs) bands (ev): -17.0700 -17.0700 -17.0700 -17.0700 -16.6063 -16.6063 -16.6063 -16.6063 -12.1776 -12.1776 -12.1775 -12.1775 -10.1682 -10.1682 -10.1682 -10.1682 -7.9572 -7.9572 -7.9571 -7.9571 -6.4806 -6.4806 -6.4804 -6.4804 -5.8887 -5.8887 -5.8887 -5.8887 -5.1828 -5.1828 -5.1827 -5.1827 -4.2733 -4.2733 -4.2730 -4.2730 -3.7198 -3.7198 -3.7197 -3.7197 -2.2342 -2.2342 -2.2340 -2.2340 0.0525 0.0525 0.0528 0.0528 1.1772 1.1772 1.1772 1.1772 6.5597 6.5597 6.5597 6.5597 7.4856 7.4856 7.4859 7.4859 8.4391 8.4391 k = 0.1667-0.0000 0.8693 ( 6006 PWs) bands (ev): -17.0699 -17.0699 -17.0699 -17.0699 -16.6065 -16.6065 -16.6065 -16.6065 -12.1774 -12.1774 -12.1773 -12.1773 -10.1682 -10.1682 -10.1681 -10.1681 -7.9588 -7.9588 -7.9588 -7.9588 -6.4737 -6.4737 -6.4735 -6.4735 -5.8941 -5.8941 -5.8941 -5.8941 -5.1827 -5.1827 -5.1826 -5.1826 -4.2736 -4.2736 -4.2732 -4.2732 -3.7201 -3.7201 -3.7200 -3.7200 -2.2335 -2.2335 -2.2334 -2.2334 0.0484 0.0484 0.0487 0.0487 1.1818 1.1818 1.1818 1.1818 6.5677 6.5677 6.5678 6.5678 7.4789 7.4789 7.4792 7.4792 8.4507 8.4507 k = 0.1905-0.0000 0.8693 ( 6008 PWs) bands (ev): -17.0697 -17.0697 -17.0697 -17.0697 -16.6067 -16.6067 -16.6067 -16.6067 -12.1773 -12.1773 -12.1772 -12.1772 -10.1682 -10.1682 -10.1681 -10.1681 -7.9606 -7.9606 -7.9606 -7.9606 -6.4661 -6.4661 -6.4658 -6.4658 -5.9001 -5.9001 -5.9000 -5.9000 -5.1826 -5.1826 -5.1825 -5.1825 -4.2738 -4.2738 -4.2734 -4.2734 -3.7204 -3.7204 -3.7203 -3.7203 -2.2329 -2.2329 -2.2327 -2.2327 0.0440 0.0440 0.0443 0.0443 1.1867 1.1867 1.1867 1.1867 6.5766 6.5766 6.5767 6.5767 7.4714 7.4714 7.4717 7.4717 8.4644 8.4644 k = 0.2143-0.0000 0.8693 ( 6006 PWs) bands (ev): -17.0695 -17.0695 -17.0695 -17.0695 -16.6069 -16.6069 -16.6069 -16.6069 -12.1771 -12.1771 -12.1770 -12.1770 -10.1682 -10.1682 -10.1681 -10.1681 -7.9625 -7.9625 -7.9624 -7.9624 -6.4579 -6.4579 -6.4575 -6.4575 -5.9066 -5.9066 -5.9066 -5.9066 -5.1825 -5.1825 -5.1824 -5.1824 -4.2741 -4.2741 -4.2737 -4.2737 -3.7207 -3.7207 -3.7206 -3.7206 -2.2322 -2.2322 -2.2320 -2.2320 0.0393 0.0393 0.0396 0.0396 1.1919 1.1919 1.1919 1.1919 6.5861 6.5861 6.5862 6.5862 7.4634 7.4634 7.4637 7.4637 8.4804 8.4804 k = 0.2381-0.0000 0.8693 ( 6006 PWs) bands (ev): -17.0694 -17.0694 -17.0694 -17.0694 -16.6072 -16.6072 -16.6072 -16.6072 -12.1770 -12.1770 -12.1768 -12.1768 -10.1682 -10.1682 -10.1681 -10.1681 -7.9644 -7.9644 -7.9644 -7.9644 -6.4492 -6.4492 -6.4488 -6.4488 -5.9135 -5.9135 -5.9135 -5.9135 -5.1824 -5.1824 -5.1823 -5.1823 -4.2744 -4.2744 -4.2739 -4.2739 -3.7211 -3.7211 -3.7210 -3.7210 -2.2315 -2.2315 -2.2313 -2.2313 0.0345 0.0345 0.0349 0.0349 1.1973 1.1973 1.1973 1.1973 6.5961 6.5961 6.5962 6.5962 7.4550 7.4550 7.4553 7.4553 8.4988 8.4988 k = 0.2619-0.0000 0.8693 ( 6000 PWs) bands (ev): -17.0692 -17.0692 -17.0692 -17.0692 -16.6074 -16.6074 -16.6074 -16.6074 -12.1768 -12.1768 -12.1766 -12.1766 -10.1682 -10.1682 -10.1681 -10.1681 -7.9663 -7.9663 -7.9663 -7.9663 -6.4401 -6.4401 -6.4397 -6.4397 -5.9208 -5.9208 -5.9207 -5.9207 -5.1823 -5.1823 -5.1822 -5.1822 -4.2747 -4.2747 -4.2742 -4.2742 -3.7215 -3.7215 -3.7213 -3.7213 -2.2307 -2.2307 -2.2305 -2.2305 0.0297 0.0297 0.0301 0.0301 1.2026 1.2026 1.2027 1.2027 6.6064 6.6064 6.6065 6.6065 7.4463 7.4463 7.4467 7.4467 8.5197 8.5197 k = 0.2857-0.0000 0.8693 ( 5994 PWs) bands (ev): -17.0690 -17.0690 -17.0690 -17.0690 -16.6077 -16.6077 -16.6076 -16.6076 -12.1766 -12.1766 -12.1764 -12.1764 -10.1682 -10.1682 -10.1680 -10.1680 -7.9683 -7.9683 -7.9682 -7.9682 -6.4310 -6.4310 -6.4305 -6.4305 -5.9281 -5.9281 -5.9281 -5.9281 -5.1822 -5.1822 -5.1821 -5.1821 -4.2750 -4.2750 -4.2744 -4.2744 -3.7218 -3.7218 -3.7217 -3.7217 -2.2300 -2.2300 -2.2298 -2.2298 0.0249 0.0249 0.0254 0.0254 1.2079 1.2079 1.2079 1.2079 6.6167 6.6167 6.6168 6.6168 7.4376 7.4376 7.4380 7.4380 8.5431 8.5431 k = 0.3095-0.0000 0.8693 ( 6000 PWs) bands (ev): -17.0688 -17.0688 -17.0688 -17.0688 -16.6079 -16.6079 -16.6079 -16.6079 -12.1764 -12.1764 -12.1763 -12.1763 -10.1682 -10.1682 -10.1680 -10.1680 -7.9701 -7.9701 -7.9701 -7.9701 -6.4219 -6.4219 -6.4214 -6.4214 -5.9355 -5.9355 -5.9355 -5.9355 -5.1822 -5.1822 -5.1820 -5.1820 -4.2753 -4.2753 -4.2747 -4.2747 -3.7222 -3.7222 -3.7220 -3.7220 -2.2293 -2.2293 -2.2291 -2.2291 0.0204 0.0204 0.0208 0.0208 1.2129 1.2129 1.2130 1.2130 6.6268 6.6268 6.6269 6.6269 7.4290 7.4290 7.4295 7.4295 8.5692 8.5692 k = 0.3333-0.0000 0.8693 ( 5996 PWs) bands (ev): -17.0686 -17.0686 -17.0686 -17.0686 -16.6081 -16.6081 -16.6081 -16.6081 -12.1763 -12.1763 -12.1761 -12.1761 -10.1682 -10.1682 -10.1680 -10.1680 -7.9719 -7.9719 -7.9718 -7.9718 -6.4131 -6.4131 -6.4126 -6.4126 -5.9427 -5.9427 -5.9427 -5.9427 -5.1821 -5.1821 -5.1819 -5.1819 -4.2756 -4.2756 -4.2749 -4.2749 -3.7225 -3.7225 -3.7223 -3.7223 -2.2286 -2.2286 -2.2284 -2.2284 0.0161 0.0161 0.0166 0.0166 1.2177 1.2177 1.2177 1.2177 6.6364 6.6364 6.6365 6.6365 7.4208 7.4208 7.4214 7.4214 8.5979 8.5983 k = 0.3571-0.0000 0.8693 ( 6000 PWs) bands (ev): -17.0685 -17.0685 -17.0685 -17.0685 -16.6083 -16.6083 -16.6083 -16.6083 -12.1761 -12.1761 -12.1760 -12.1760 -10.1682 -10.1682 -10.1680 -10.1680 -7.9734 -7.9734 -7.9734 -7.9734 -6.4048 -6.4048 -6.4042 -6.4042 -5.9496 -5.9496 -5.9496 -5.9496 -5.1820 -5.1820 -5.1818 -5.1818 -4.2758 -4.2758 -4.2751 -4.2751 -3.7228 -3.7228 -3.7226 -3.7226 -2.2280 -2.2280 -2.2278 -2.2278 0.0122 0.0122 0.0128 0.0128 1.2220 1.2220 1.2220 1.2220 6.6454 6.6454 6.6455 6.6455 7.4132 7.4132 7.4137 7.4137 8.6292 8.6293 k = 0.3810-0.0000 0.8693 ( 6004 PWs) bands (ev): -17.0684 -17.0684 -17.0683 -17.0683 -16.6085 -16.6085 -16.6085 -16.6085 -12.1760 -12.1760 -12.1759 -12.1759 -10.1682 -10.1682 -10.1680 -10.1680 -7.9748 -7.9748 -7.9748 -7.9748 -6.3972 -6.3972 -6.3966 -6.3966 -5.9559 -5.9559 -5.9559 -5.9559 -5.1819 -5.1819 -5.1817 -5.1817 -4.2760 -4.2760 -4.2753 -4.2753 -3.7231 -3.7231 -3.7229 -3.7229 -2.2275 -2.2275 -2.2272 -2.2272 0.0088 0.0088 0.0094 0.0094 1.2258 1.2258 1.2258 1.2258 6.6535 6.6535 6.6536 6.6536 7.4063 7.4063 7.4069 7.4069 8.6627 8.6629 k = 0.4048-0.0000 0.8693 ( 5992 PWs) bands (ev): -17.0682 -17.0682 -17.0682 -17.0682 -16.6086 -16.6086 -16.6086 -16.6086 -12.1759 -12.1759 -12.1757 -12.1757 -10.1682 -10.1682 -10.1680 -10.1680 -7.9760 -7.9760 -7.9760 -7.9760 -6.3906 -6.3906 -6.3900 -6.3900 -5.9614 -5.9614 -5.9614 -5.9614 -5.1819 -5.1819 -5.1816 -5.1816 -4.2762 -4.2762 -4.2755 -4.2755 -3.7233 -3.7233 -3.7231 -3.7231 -2.2270 -2.2270 -2.2267 -2.2267 0.0059 0.0059 0.0065 0.0065 1.2290 1.2290 1.2291 1.2291 6.6605 6.6605 6.6606 6.6606 7.4004 7.4004 7.4010 7.4010 8.6982 8.6986 k = 0.4286-0.0000 0.8693 ( 5994 PWs) bands (ev): -17.0681 -17.0681 -17.0681 -17.0681 -16.6088 -16.6088 -16.6087 -16.6087 -12.1758 -12.1758 -12.1756 -12.1756 -10.1682 -10.1682 -10.1680 -10.1680 -7.9770 -7.9770 -7.9769 -7.9769 -6.3852 -6.3852 -6.3846 -6.3846 -5.9659 -5.9659 -5.9659 -5.9659 -5.1818 -5.1818 -5.1816 -5.1816 -4.2763 -4.2763 -4.2756 -4.2756 -3.7235 -3.7235 -3.7233 -3.7233 -2.2267 -2.2267 -2.2264 -2.2264 0.0036 0.0036 0.0042 0.0042 1.2316 1.2316 1.2316 1.2316 6.6662 6.6662 6.6662 6.6662 7.3955 7.3955 7.3962 7.3962 8.7346 8.7348 k = 0.4524-0.0000 0.8693 ( 5998 PWs) bands (ev): -17.0681 -17.0681 -17.0681 -17.0681 -16.6088 -16.6088 -16.6088 -16.6088 -12.1757 -12.1757 -12.1756 -12.1756 -10.1682 -10.1682 -10.1680 -10.1680 -7.9777 -7.9777 -7.9776 -7.9776 -6.3811 -6.3811 -6.3805 -6.3805 -5.9693 -5.9693 -5.9693 -5.9693 -5.1818 -5.1818 -5.1815 -5.1815 -4.2765 -4.2765 -4.2757 -4.2757 -3.7236 -3.7236 -3.7234 -3.7234 -2.2264 -2.2264 -2.2261 -2.2261 0.0020 0.0020 0.0025 0.0025 1.2334 1.2334 1.2335 1.2335 6.6703 6.6703 6.6704 6.6704 7.3920 7.3920 7.3926 7.3926 8.7694 8.7698 k = 0.4762-0.0000 0.8693 ( 5998 PWs) bands (ev): -17.0680 -17.0680 -17.0680 -17.0680 -16.6089 -16.6089 -16.6089 -16.6089 -12.1757 -12.1757 -12.1755 -12.1755 -10.1682 -10.1682 -10.1680 -10.1680 -7.9781 -7.9781 -7.9781 -7.9781 -6.3786 -6.3786 -6.3780 -6.3780 -5.9715 -5.9715 -5.9714 -5.9714 -5.1818 -5.1818 -5.1815 -5.1815 -4.2765 -4.2765 -4.2757 -4.2757 -3.7237 -3.7237 -3.7235 -3.7235 -2.2262 -2.2262 -2.2259 -2.2259 0.0009 0.0009 0.0015 0.0015 1.2346 1.2346 1.2347 1.2347 6.6729 6.6729 6.6729 6.6729 7.3898 7.3898 7.3905 7.3905 8.7977 8.7981 k = 0.5000-0.0000 0.8693 ( 5988 PWs) bands (ev): -17.0680 -17.0680 -17.0680 -17.0680 -16.6089 -16.6089 -16.6089 -16.6089 -12.1757 -12.1757 -12.1755 -12.1755 -10.1681 -10.1681 -10.1680 -10.1680 -7.9782 -7.9782 -7.9782 -7.9782 -6.3778 -6.3778 -6.3772 -6.3772 -5.9722 -5.9722 -5.9721 -5.9721 -5.1818 -5.1818 -5.1815 -5.1815 -4.2765 -4.2765 -4.2757 -4.2757 -3.7238 -3.7238 -3.7236 -3.7236 -2.2261 -2.2261 -2.2259 -2.2259 0.0006 0.0006 0.0012 0.0012 1.2350 1.2350 1.2350 1.2350 6.6737 6.6737 6.6738 6.6738 7.3891 7.3891 7.3897 7.3897 8.8096 8.8098 Writing output data file H4CN.save init_run : 0.88s CPU 0.69s WALL ( 1 calls) electrons : 336.49s CPU 242.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.22s CPU 0.26s WALL ( 1 calls) Called by electrons: c_bands : 336.48s CPU 242.00s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.22s WALL ( 272 calls) cegterg : 284.50s CPU 212.22s WALL ( 490 calls) Called by sum_band: Called by *egterg: h_psi : 214.78s CPU 137.15s WALL ( 7009 calls) s_psi : 7.57s CPU 5.33s WALL ( 7009 calls) g_psi : 0.39s CPU 0.34s WALL ( 6247 calls) cdiaghg : 74.92s CPU 66.71s WALL ( 6519 calls) cegterg:over : 12.27s CPU 10.06s WALL ( 6247 calls) cegterg:upda : 10.88s CPU 9.22s WALL ( 6247 calls) cegterg:last : 3.89s CPU 3.85s WALL ( 1034 calls) cdiaghg:chol : 4.46s CPU 3.87s WALL ( 6519 calls) cdiaghg:inve : 2.96s CPU 2.64s WALL ( 6519 calls) cdiaghg:para : 4.14s CPU 4.13s WALL ( 13038 calls) Called by h_psi: h_psi:vloc : 195.16s CPU 122.96s WALL ( 7009 calls) h_psi:vnl : 19.12s CPU 13.82s WALL ( 7009 calls) add_vuspsi : 8.58s CPU 6.14s WALL ( 7009 calls) General routines calbec : 10.47s CPU 7.66s WALL ( 7009 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 182.64s CPU 113.86s WALL ( 825608 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.38s CPU 0.91s WALL ( 544 calls) Parallel routines fft_scatter : 72.52s CPU 52.56s WALL ( 825631 calls) PWSCF : 5m56.35s CPU 4m47.34s WALL This run was terminated on: 0:34:32 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=