Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:41:40 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: ./CdHClO.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized 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 58 17 5 6078 955 153 Max 59 18 6 6089 974 163 Sum 2107 625 187 219017 34777 5717 bravais-lattice index = 14 lattice parameter (alat) = 6.9255 a.u. unit-cell volume = 803.0167 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.925468 celldm(2)= 1.000000 celldm(3)= 2.791558 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.791558 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.358223 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) H 1.00 1.00790 H( 1.00) O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.3957788 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.3957788 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.3957788 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.3957788 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.3957788 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.3957788 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 G_8 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 G_9 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 3 4 60 deg rotation - cryst. axis [0,0,1] -2C6 -3 -4 60 deg rotation - cryst. axis [0,0,1] E 2C3 5 6 120 deg rotation - cryst. axis [0,0,1] -2C3 -5 -6 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 7 -7 9 10 -10 -9 inv. 180 deg rotation - cart. axis [0,1,0] 3s_d-3s_d 8 -8 12 -11 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0030211 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0030211 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0030211 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0030211 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0030211 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0030211 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0030211 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0030211 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0030211 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0030211 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0030211 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0030211 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0030211 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0030211 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0030211 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0030211 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0030211 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0030211 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0030211 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0030211 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0030211 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0030211 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0030211 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0030211 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0030211 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0030211 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0030211 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0030211 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0030211 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0030211 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0030211 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0030211 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0030211 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0030211 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0030211 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0030211 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0030211 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0030211 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0030211 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0030211 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0030211 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0030211 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0030211 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0030211 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0030211 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0030211 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0030211 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0030211 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0030211 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030211 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030211 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0030211 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0030211 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0030211 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0030211 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0030211 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0030211 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0030211 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0030211 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0030211 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0030211 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0030211 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0030211 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0030211 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0030211 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0030211 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0030211 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0030211 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0030211 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0030211 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0030211 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0030211 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0030211 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0030211 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0030211 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0030211 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0030211 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0030211 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0030211 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030211 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030211 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0030211 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0030211 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0030211 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0030211 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0030211 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0030211 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0030211 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0030211 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0030211 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0030211 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0030211 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0030211 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0030211 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0030211 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0030211 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0030211 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0030211 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0030211 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0030211 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0030211 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0030211 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0030211 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0030211 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0030211 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0030211 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0030211 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0030211 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0030211 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030211 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0030211 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0030211 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0030211 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0030211 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0030211 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0030211 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0030211 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0030211 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0030211 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0030211 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0030211 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0030211 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0030211 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0030211 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0030211 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0030211 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0030211 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0030211 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0030211 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0030211 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0030211 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0030211 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0030211 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0030211 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0030211 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0030211 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0030211 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0030211 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 142) = ( 0.0000000 0.0000000 0.0111945), wk = 0.0030211 k( 143) = ( 0.0000000 0.0000000 0.0223889), wk = 0.0030211 k( 144) = ( 0.0000000 0.0000000 0.0335834), wk = 0.0030211 k( 145) = ( 0.0000000 0.0000000 0.0447779), wk = 0.0030211 k( 146) = ( 0.0000000 0.0000000 0.0559723), wk = 0.0030211 k( 147) = ( 0.0000000 0.0000000 0.0671668), wk = 0.0030211 k( 148) = ( 0.0000000 0.0000000 0.0783613), wk = 0.0030211 k( 149) = ( 0.0000000 0.0000000 0.0895557), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.1007502), wk = 0.0030211 k( 151) = ( 0.0000000 0.0000000 0.1119447), wk = 0.0030211 k( 152) = ( 0.0000000 0.0000000 0.1231391), wk = 0.0030211 k( 153) = ( 0.0000000 0.0000000 0.1343336), wk = 0.0030211 k( 154) = ( 0.0000000 0.0000000 0.1455281), wk = 0.0030211 k( 155) = ( 0.0000000 0.0000000 0.1567225), wk = 0.0030211 k( 156) = ( 0.0000000 0.0000000 0.1679170), wk = 0.0030211 k( 157) = ( 0.0000000 0.0000000 0.1791115), wk = 0.0030211 k( 158) = ( 0.0000000 0.0000000 0.1791115), wk = 0.0030211 k( 159) = ( 0.0100000 0.0057735 0.1791115), wk = 0.0030211 k( 160) = ( 0.0200000 0.0115470 0.1791115), wk = 0.0030211 k( 161) = ( 0.0300000 0.0173205 0.1791115), wk = 0.0030211 k( 162) = ( 0.0400000 0.0230940 0.1791115), wk = 0.0030211 k( 163) = ( 0.0500000 0.0288675 0.1791115), wk = 0.0030211 k( 164) = ( 0.0600000 0.0346410 0.1791115), wk = 0.0030211 k( 165) = ( 0.0700000 0.0404145 0.1791115), wk = 0.0030211 k( 166) = ( 0.0800000 0.0461880 0.1791115), wk = 0.0030211 k( 167) = ( 0.0900000 0.0519615 0.1791115), wk = 0.0030211 k( 168) = ( 0.1000000 0.0577350 0.1791115), wk = 0.0030211 k( 169) = ( 0.1100000 0.0635085 0.1791115), wk = 0.0030211 k( 170) = ( 0.1200000 0.0692820 0.1791115), wk = 0.0030211 k( 171) = ( 0.1300000 0.0750555 0.1791115), wk = 0.0030211 k( 172) = ( 0.1400000 0.0808290 0.1791115), wk = 0.0030211 k( 173) = ( 0.1500000 0.0866025 0.1791115), wk = 0.0030211 k( 174) = ( 0.1600000 0.0923760 0.1791115), wk = 0.0030211 k( 175) = ( 0.1700000 0.0981495 0.1791115), wk = 0.0030211 k( 176) = ( 0.1800000 0.1039230 0.1791115), wk = 0.0030211 k( 177) = ( 0.1900000 0.1096966 0.1791115), wk = 0.0030211 k( 178) = ( 0.2000000 0.1154701 0.1791115), wk = 0.0030211 k( 179) = ( 0.2100000 0.1212436 0.1791115), wk = 0.0030211 k( 180) = ( 0.2200000 0.1270171 0.1791115), wk = 0.0030211 k( 181) = ( 0.2300000 0.1327906 0.1791115), wk = 0.0030211 k( 182) = ( 0.2400000 0.1385641 0.1791115), wk = 0.0030211 k( 183) = ( 0.2500000 0.1443376 0.1791115), wk = 0.0030211 k( 184) = ( 0.2600000 0.1501111 0.1791115), wk = 0.0030211 k( 185) = ( 0.2700000 0.1558846 0.1791115), wk = 0.0030211 k( 186) = ( 0.2800000 0.1616581 0.1791115), wk = 0.0030211 k( 187) = ( 0.2900000 0.1674316 0.1791115), wk = 0.0030211 k( 188) = ( 0.3000000 0.1732051 0.1791115), wk = 0.0030211 k( 189) = ( 0.3100000 0.1789786 0.1791115), wk = 0.0030211 k( 190) = ( 0.3200000 0.1847521 0.1791115), wk = 0.0030211 k( 191) = ( 0.3300000 0.1905256 0.1791115), wk = 0.0030211 k( 192) = ( 0.3400000 0.1962991 0.1791115), wk = 0.0030211 k( 193) = ( 0.3500000 0.2020726 0.1791115), wk = 0.0030211 k( 194) = ( 0.3600000 0.2078461 0.1791115), wk = 0.0030211 k( 195) = ( 0.3700000 0.2136196 0.1791115), wk = 0.0030211 k( 196) = ( 0.3800000 0.2193931 0.1791115), wk = 0.0030211 k( 197) = ( 0.3900000 0.2251666 0.1791115), wk = 0.0030211 k( 198) = ( 0.4000000 0.2309401 0.1791115), wk = 0.0030211 k( 199) = ( 0.4100000 0.2367136 0.1791115), wk = 0.0030211 k( 200) = ( 0.4200000 0.2424871 0.1791115), wk = 0.0030211 k( 201) = ( 0.4300000 0.2482606 0.1791115), wk = 0.0030211 k( 202) = ( 0.4400000 0.2540341 0.1791115), wk = 0.0030211 k( 203) = ( 0.4500000 0.2598076 0.1791115), wk = 0.0030211 k( 204) = ( 0.4600000 0.2655811 0.1791115), wk = 0.0030211 k( 205) = ( 0.4700000 0.2713546 0.1791115), wk = 0.0030211 k( 206) = ( 0.4800000 0.2771281 0.1791115), wk = 0.0030211 k( 207) = ( 0.4900000 0.2829016 0.1791115), wk = 0.0030211 k( 208) = ( 0.5000000 0.2886751 0.1791115), wk = 0.0030211 k( 209) = ( 0.5000000 0.2886751 0.1791115), wk = 0.0030211 k( 210) = ( 0.4942529 0.2986294 0.1791115), wk = 0.0030211 k( 211) = ( 0.4885058 0.3085838 0.1791115), wk = 0.0030211 k( 212) = ( 0.4827586 0.3185381 0.1791115), wk = 0.0030211 k( 213) = ( 0.4770115 0.3284924 0.1791115), wk = 0.0030211 k( 214) = ( 0.4712644 0.3384467 0.1791115), wk = 0.0030211 k( 215) = ( 0.4655172 0.3484010 0.1791115), wk = 0.0030211 k( 216) = ( 0.4597701 0.3583553 0.1791115), wk = 0.0030211 k( 217) = ( 0.4540230 0.3683097 0.1791115), wk = 0.0030211 k( 218) = ( 0.4482759 0.3782640 0.1791115), wk = 0.0030211 k( 219) = ( 0.4425287 0.3882183 0.1791115), wk = 0.0030211 k( 220) = ( 0.4367816 0.3981726 0.1791115), wk = 0.0030211 k( 221) = ( 0.4310345 0.4081269 0.1791115), wk = 0.0030211 k( 222) = ( 0.4252874 0.4180812 0.1791115), wk = 0.0030211 k( 223) = ( 0.4195402 0.4280355 0.1791115), wk = 0.0030211 k( 224) = ( 0.4137931 0.4379899 0.1791115), wk = 0.0030211 k( 225) = ( 0.4080460 0.4479442 0.1791115), wk = 0.0030211 k( 226) = ( 0.4022988 0.4578985 0.1791115), wk = 0.0030211 k( 227) = ( 0.3965517 0.4678528 0.1791115), wk = 0.0030211 k( 228) = ( 0.3908046 0.4778071 0.1791115), wk = 0.0030211 k( 229) = ( 0.3850575 0.4877614 0.1791115), wk = 0.0030211 k( 230) = ( 0.3793103 0.4977157 0.1791115), wk = 0.0030211 k( 231) = ( 0.3735632 0.5076701 0.1791115), wk = 0.0030211 k( 232) = ( 0.3678161 0.5176244 0.1791115), wk = 0.0030211 k( 233) = ( 0.3620690 0.5275787 0.1791115), wk = 0.0030211 k( 234) = ( 0.3563218 0.5375330 0.1791115), wk = 0.0030211 k( 235) = ( 0.3505747 0.5474873 0.1791115), wk = 0.0030211 k( 236) = ( 0.3448276 0.5574416 0.1791115), wk = 0.0030211 k( 237) = ( 0.3390805 0.5673960 0.1791115), wk = 0.0030211 k( 238) = ( 0.3333333 0.5773503 0.1791115), wk = 0.0030211 k( 239) = ( 0.3333333 0.5773503 0.1791115), wk = 0.0030211 k( 240) = ( 0.3275862 0.5673960 0.1791115), wk = 0.0030211 k( 241) = ( 0.3218391 0.5574416 0.1791115), wk = 0.0030211 k( 242) = ( 0.3160920 0.5474873 0.1791115), wk = 0.0030211 k( 243) = ( 0.3103448 0.5375330 0.1791115), wk = 0.0030211 k( 244) = ( 0.3045977 0.5275787 0.1791115), wk = 0.0030211 k( 245) = ( 0.2988506 0.5176244 0.1791115), wk = 0.0030211 k( 246) = ( 0.2931034 0.5076701 0.1791115), wk = 0.0030211 k( 247) = ( 0.2873563 0.4977157 0.1791115), wk = 0.0030211 k( 248) = ( 0.2816092 0.4877614 0.1791115), wk = 0.0030211 k( 249) = ( 0.2758621 0.4778071 0.1791115), wk = 0.0030211 k( 250) = ( 0.2701149 0.4678528 0.1791115), wk = 0.0030211 k( 251) = ( 0.2643678 0.4578985 0.1791115), wk = 0.0030211 k( 252) = ( 0.2586207 0.4479442 0.1791115), wk = 0.0030211 k( 253) = ( 0.2528736 0.4379899 0.1791115), wk = 0.0030211 k( 254) = ( 0.2471264 0.4280355 0.1791115), wk = 0.0030211 k( 255) = ( 0.2413793 0.4180812 0.1791115), wk = 0.0030211 k( 256) = ( 0.2356322 0.4081269 0.1791115), wk = 0.0030211 k( 257) = ( 0.2298851 0.3981726 0.1791115), wk = 0.0030211 k( 258) = ( 0.2241379 0.3882183 0.1791115), wk = 0.0030211 k( 259) = ( 0.2183908 0.3782640 0.1791115), wk = 0.0030211 k( 260) = ( 0.2126437 0.3683097 0.1791115), wk = 0.0030211 k( 261) = ( 0.2068966 0.3583553 0.1791115), wk = 0.0030211 k( 262) = ( 0.2011494 0.3484010 0.1791115), wk = 0.0030211 k( 263) = ( 0.1954023 0.3384467 0.1791115), wk = 0.0030211 k( 264) = ( 0.1896552 0.3284924 0.1791115), wk = 0.0030211 k( 265) = ( 0.1839080 0.3185381 0.1791115), wk = 0.0030211 k( 266) = ( 0.1781609 0.3085838 0.1791115), wk = 0.0030211 k( 267) = ( 0.1724138 0.2986294 0.1791115), wk = 0.0030211 k( 268) = ( 0.1666667 0.2886751 0.1791115), wk = 0.0030211 k( 269) = ( 0.1609195 0.2787208 0.1791115), wk = 0.0030211 k( 270) = ( 0.1551724 0.2687665 0.1791115), wk = 0.0030211 k( 271) = ( 0.1494253 0.2588122 0.1791115), wk = 0.0030211 k( 272) = ( 0.1436782 0.2488579 0.1791115), wk = 0.0030211 k( 273) = ( 0.1379310 0.2389036 0.1791115), wk = 0.0030211 k( 274) = ( 0.1321839 0.2289492 0.1791115), wk = 0.0030211 k( 275) = ( 0.1264368 0.2189949 0.1791115), wk = 0.0030211 k( 276) = ( 0.1206897 0.2090406 0.1791115), wk = 0.0030211 k( 277) = ( 0.1149425 0.1990863 0.1791115), wk = 0.0030211 k( 278) = ( 0.1091954 0.1891320 0.1791115), wk = 0.0030211 k( 279) = ( 0.1034483 0.1791777 0.1791115), wk = 0.0030211 k( 280) = ( 0.0977012 0.1692234 0.1791115), wk = 0.0030211 k( 281) = ( 0.0919540 0.1592690 0.1791115), wk = 0.0030211 k( 282) = ( 0.0862069 0.1493147 0.1791115), wk = 0.0030211 k( 283) = ( 0.0804598 0.1393604 0.1791115), wk = 0.0030211 k( 284) = ( 0.0747126 0.1294061 0.1791115), wk = 0.0030211 k( 285) = ( 0.0689655 0.1194518 0.1791115), wk = 0.0030211 k( 286) = ( 0.0632184 0.1094975 0.1791115), wk = 0.0030211 k( 287) = ( 0.0574713 0.0995431 0.1791115), wk = 0.0030211 k( 288) = ( 0.0517241 0.0895888 0.1791115), wk = 0.0030211 k( 289) = ( 0.0459770 0.0796345 0.1791115), wk = 0.0030211 k( 290) = ( 0.0402299 0.0696802 0.1791115), wk = 0.0030211 k( 291) = ( 0.0344828 0.0597259 0.1791115), wk = 0.0030211 k( 292) = ( 0.0287356 0.0497716 0.1791115), wk = 0.0030211 k( 293) = ( 0.0229885 0.0398173 0.1791115), wk = 0.0030211 k( 294) = ( 0.0172414 0.0298629 0.1791115), wk = 0.0030211 k( 295) = ( 0.0114942 0.0199086 0.1791115), wk = 0.0030211 k( 296) = ( 0.0057471 0.0099543 0.1791115), wk = 0.0030211 k( 297) = ( 0.0000000 0.0000000 0.1791115), wk = 0.0030211 k( 298) = ( 0.5000000 0.2886751 0.1791115), wk = 0.0030211 k( 299) = ( 0.5000000 0.2886751 0.1679170), wk = 0.0030211 k( 300) = ( 0.5000000 0.2886751 0.1567225), wk = 0.0030211 k( 301) = ( 0.5000000 0.2886751 0.1455281), wk = 0.0030211 k( 302) = ( 0.5000000 0.2886751 0.1343336), wk = 0.0030211 k( 303) = ( 0.5000000 0.2886751 0.1231391), wk = 0.0030211 k( 304) = ( 0.5000000 0.2886751 0.1119447), wk = 0.0030211 k( 305) = ( 0.5000000 0.2886751 0.1007502), wk = 0.0030211 k( 306) = ( 0.5000000 0.2886751 0.0895557), wk = 0.0030211 k( 307) = ( 0.5000000 0.2886751 0.0783613), wk = 0.0030211 k( 308) = ( 0.5000000 0.2886751 0.0671668), wk = 0.0030211 k( 309) = ( 0.5000000 0.2886751 0.0559723), wk = 0.0030211 k( 310) = ( 0.5000000 0.2886751 0.0447779), wk = 0.0030211 k( 311) = ( 0.5000000 0.2886751 0.0335834), wk = 0.0030211 k( 312) = ( 0.5000000 0.2886751 0.0223889), wk = 0.0030211 k( 313) = ( 0.5000000 0.2886751 0.0111945), wk = 0.0030211 k( 314) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030211 k( 315) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030211 k( 316) = ( 0.3333333 0.5773503 0.0111945), wk = 0.0030211 k( 317) = ( 0.3333333 0.5773503 0.0223889), wk = 0.0030211 k( 318) = ( 0.3333333 0.5773503 0.0335834), wk = 0.0030211 k( 319) = ( 0.3333333 0.5773503 0.0447779), wk = 0.0030211 k( 320) = ( 0.3333333 0.5773503 0.0559723), wk = 0.0030211 k( 321) = ( 0.3333333 0.5773503 0.0671668), wk = 0.0030211 k( 322) = ( 0.3333333 0.5773503 0.0783613), wk = 0.0030211 k( 323) = ( 0.3333333 0.5773503 0.0895557), wk = 0.0030211 k( 324) = ( 0.3333333 0.5773503 0.1007502), wk = 0.0030211 k( 325) = ( 0.3333333 0.5773503 0.1119447), wk = 0.0030211 k( 326) = ( 0.3333333 0.5773503 0.1231391), wk = 0.0030211 k( 327) = ( 0.3333333 0.5773503 0.1343336), wk = 0.0030211 k( 328) = ( 0.3333333 0.5773503 0.1455281), wk = 0.0030211 k( 329) = ( 0.3333333 0.5773503 0.1567225), wk = 0.0030211 k( 330) = ( 0.3333333 0.5773503 0.1679170), wk = 0.0030211 k( 331) = ( 0.3333333 0.5773503 0.1791115), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0030211 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0030211 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0030211 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0030211 k( 6) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0030211 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0030211 k( 8) = ( 0.0700000 -0.0000000 0.0000000), wk = 0.0030211 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0030211 k( 10) = ( 0.0900000 0.0000000 0.0000000), wk = 0.0030211 k( 11) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0030211 k( 12) = ( 0.1100000 -0.0000000 0.0000000), wk = 0.0030211 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0030211 k( 14) = ( 0.1300000 -0.0000000 0.0000000), wk = 0.0030211 k( 15) = ( 0.1400000 -0.0000000 0.0000000), wk = 0.0030211 k( 16) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0030211 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0030211 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0030211 k( 19) = ( 0.1800000 0.0000000 0.0000000), wk = 0.0030211 k( 20) = ( 0.1900000 -0.0000000 0.0000000), wk = 0.0030211 k( 21) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0030211 k( 22) = ( 0.2100000 -0.0000000 0.0000000), wk = 0.0030211 k( 23) = ( 0.2200000 -0.0000000 0.0000000), wk = 0.0030211 k( 24) = ( 0.2300000 -0.0000000 0.0000000), wk = 0.0030211 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0030211 k( 26) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0030211 k( 27) = ( 0.2600000 -0.0000000 0.0000000), wk = 0.0030211 k( 28) = ( 0.2700000 -0.0000000 0.0000000), wk = 0.0030211 k( 29) = ( 0.2800000 -0.0000000 0.0000000), wk = 0.0030211 k( 30) = ( 0.2900000 -0.0000000 0.0000000), wk = 0.0030211 k( 31) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0030211 k( 32) = ( 0.3100000 -0.0000000 0.0000000), wk = 0.0030211 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0030211 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0030211 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0030211 k( 36) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0030211 k( 37) = ( 0.3600000 0.0000000 0.0000000), wk = 0.0030211 k( 38) = ( 0.3700000 -0.0000000 0.0000000), wk = 0.0030211 k( 39) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0030211 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0030211 k( 41) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0030211 k( 42) = ( 0.4100000 -0.0000000 0.0000000), wk = 0.0030211 k( 43) = ( 0.4200000 -0.0000000 0.0000000), wk = 0.0030211 k( 44) = ( 0.4300000 -0.0000000 0.0000000), wk = 0.0030211 k( 45) = ( 0.4400000 -0.0000000 0.0000000), wk = 0.0030211 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0030211 k( 47) = ( 0.4600000 -0.0000000 0.0000000), wk = 0.0030211 k( 48) = ( 0.4700000 -0.0000000 0.0000000), wk = 0.0030211 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0030211 k( 50) = ( 0.4900000 -0.0000000 0.0000000), wk = 0.0030211 k( 51) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030211 k( 52) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030211 k( 53) = ( 0.4942529 0.0114942 0.0000000), wk = 0.0030211 k( 54) = ( 0.4885058 0.0229885 0.0000000), wk = 0.0030211 k( 55) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0030211 k( 56) = ( 0.4770115 0.0459770 0.0000000), wk = 0.0030211 k( 57) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0030211 k( 58) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0030211 k( 59) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0030211 k( 60) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0030211 k( 61) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0030211 k( 62) = ( 0.4425287 0.1149425 -0.0000000), wk = 0.0030211 k( 63) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0030211 k( 64) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0030211 k( 65) = ( 0.4252874 0.1494253 0.0000000), wk = 0.0030211 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0030211 k( 67) = ( 0.4137931 0.1724138 0.0000000), wk = 0.0030211 k( 68) = ( 0.4080460 0.1839080 0.0000000), wk = 0.0030211 k( 69) = ( 0.4022988 0.1954023 -0.0000000), wk = 0.0030211 k( 70) = ( 0.3965517 0.2068965 0.0000000), wk = 0.0030211 k( 71) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0030211 k( 72) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0030211 k( 73) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0030211 k( 74) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0030211 k( 75) = ( 0.3678161 0.2643678 -0.0000000), wk = 0.0030211 k( 76) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0030211 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0030211 k( 78) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0030211 k( 79) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0030211 k( 80) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0030211 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030211 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030211 k( 83) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0030211 k( 84) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0030211 k( 85) = ( 0.3160920 0.3160920 0.0000000), wk = 0.0030211 k( 86) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0030211 k( 87) = ( 0.3045977 0.3045977 -0.0000000), wk = 0.0030211 k( 88) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0030211 k( 89) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0030211 k( 90) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0030211 k( 91) = ( 0.2816092 0.2816092 0.0000000), wk = 0.0030211 k( 92) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0030211 k( 93) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0030211 k( 94) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0030211 k( 95) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0030211 k( 96) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0030211 k( 97) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0030211 k( 98) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0030211 k( 99) = ( 0.2356322 0.2356322 -0.0000000), wk = 0.0030211 k( 100) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0030211 k( 101) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0030211 k( 102) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0030211 k( 103) = ( 0.2126437 0.2126437 0.0000000), wk = 0.0030211 k( 104) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0030211 k( 105) = ( 0.2011494 0.2011494 0.0000000), wk = 0.0030211 k( 106) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0030211 k( 107) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0030211 k( 108) = ( 0.1839080 0.1839080 0.0000000), wk = 0.0030211 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0030211 k( 110) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0030211 k( 111) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0030211 k( 112) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0030211 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0030211 k( 114) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0030211 k( 115) = ( 0.1436782 0.1436782 -0.0000000), wk = 0.0030211 k( 116) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0030211 k( 117) = ( 0.1321839 0.1321839 0.0000000), wk = 0.0030211 k( 118) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0030211 k( 119) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0030211 k( 120) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0030211 k( 121) = ( 0.1091954 0.1091954 0.0000000), wk = 0.0030211 k( 122) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0030211 k( 123) = ( 0.0977012 0.0977012 0.0000000), wk = 0.0030211 k( 124) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0030211 k( 125) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0030211 k( 126) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0030211 k( 127) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0030211 k( 128) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0030211 k( 129) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0030211 k( 130) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0030211 k( 131) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0030211 k( 132) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0030211 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0030211 k( 134) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0030211 k( 135) = ( 0.0287356 0.0287356 0.0000000), wk = 0.0030211 k( 136) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0030211 k( 137) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0030211 k( 138) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0030211 k( 139) = ( 0.0057471 0.0057471 0.0000000), wk = 0.0030211 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 142) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0030211 k( 143) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030211 k( 144) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0030211 k( 145) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030211 k( 146) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0030211 k( 147) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030211 k( 148) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0030211 k( 149) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030211 k( 150) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0030211 k( 151) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030211 k( 152) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0030211 k( 153) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030211 k( 154) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0030211 k( 155) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030211 k( 156) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0030211 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 159) = ( 0.0100000 -0.0000000 0.5000000), wk = 0.0030211 k( 160) = ( 0.0200000 -0.0000000 0.5000000), wk = 0.0030211 k( 161) = ( 0.0300000 -0.0000000 0.5000000), wk = 0.0030211 k( 162) = ( 0.0400000 -0.0000000 0.5000000), wk = 0.0030211 k( 163) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0030211 k( 164) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0030211 k( 165) = ( 0.0700000 -0.0000000 0.5000000), wk = 0.0030211 k( 166) = ( 0.0800000 -0.0000000 0.5000000), wk = 0.0030211 k( 167) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0030211 k( 168) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0030211 k( 169) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0030211 k( 170) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0030211 k( 171) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0030211 k( 172) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0030211 k( 173) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0030211 k( 174) = ( 0.1600000 -0.0000000 0.5000000), wk = 0.0030211 k( 175) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0030211 k( 176) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0030211 k( 177) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0030211 k( 178) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0030211 k( 179) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0030211 k( 180) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0030211 k( 181) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0030211 k( 182) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0030211 k( 183) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0030211 k( 184) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0030211 k( 185) = ( 0.2700000 -0.0000000 0.5000000), wk = 0.0030211 k( 186) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0030211 k( 187) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0030211 k( 188) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0030211 k( 189) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0030211 k( 190) = ( 0.3200000 -0.0000000 0.5000000), wk = 0.0030211 k( 191) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0030211 k( 192) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0030211 k( 193) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0030211 k( 194) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0030211 k( 195) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0030211 k( 196) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0030211 k( 197) = ( 0.3900000 -0.0000000 0.5000000), wk = 0.0030211 k( 198) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0030211 k( 199) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0030211 k( 200) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0030211 k( 201) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0030211 k( 202) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0030211 k( 203) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0030211 k( 204) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0030211 k( 205) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0030211 k( 206) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0030211 k( 207) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0030211 k( 208) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030211 k( 209) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030211 k( 210) = ( 0.4942529 0.0114942 0.5000000), wk = 0.0030211 k( 211) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0030211 k( 212) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0030211 k( 213) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0030211 k( 214) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0030211 k( 215) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0030211 k( 216) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0030211 k( 217) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0030211 k( 218) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0030211 k( 219) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0030211 k( 220) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0030211 k( 221) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0030211 k( 222) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0030211 k( 223) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0030211 k( 224) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0030211 k( 225) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0030211 k( 226) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0030211 k( 227) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0030211 k( 228) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0030211 k( 229) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0030211 k( 230) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0030211 k( 231) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0030211 k( 232) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0030211 k( 233) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0030211 k( 234) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0030211 k( 235) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0030211 k( 236) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0030211 k( 237) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0030211 k( 238) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030211 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030211 k( 240) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0030211 k( 241) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0030211 k( 242) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0030211 k( 243) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0030211 k( 244) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0030211 k( 245) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0030211 k( 246) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0030211 k( 247) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0030211 k( 248) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0030211 k( 249) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0030211 k( 250) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0030211 k( 251) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0030211 k( 252) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0030211 k( 253) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0030211 k( 254) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0030211 k( 255) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0030211 k( 256) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0030211 k( 257) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0030211 k( 258) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0030211 k( 259) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0030211 k( 260) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0030211 k( 261) = ( 0.2068966 0.2068965 0.5000000), wk = 0.0030211 k( 262) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0030211 k( 263) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0030211 k( 264) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0030211 k( 265) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0030211 k( 266) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0030211 k( 267) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0030211 k( 268) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030211 k( 269) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0030211 k( 270) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0030211 k( 271) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0030211 k( 272) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0030211 k( 273) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0030211 k( 274) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0030211 k( 275) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0030211 k( 276) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0030211 k( 277) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0030211 k( 278) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0030211 k( 279) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0030211 k( 280) = ( 0.0977012 0.0977012 0.5000000), wk = 0.0030211 k( 281) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0030211 k( 282) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0030211 k( 283) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0030211 k( 284) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0030211 k( 285) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0030211 k( 286) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0030211 k( 287) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0030211 k( 288) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0030211 k( 289) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0030211 k( 290) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0030211 k( 291) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0030211 k( 292) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0030211 k( 293) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0030211 k( 294) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0030211 k( 295) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0030211 k( 296) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0030211 k( 297) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 298) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030211 k( 299) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0030211 k( 300) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0030211 k( 301) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0030211 k( 302) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0030211 k( 303) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0030211 k( 304) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0030211 k( 305) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0030211 k( 306) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0030211 k( 307) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0030211 k( 308) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0030211 k( 309) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0030211 k( 310) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0030211 k( 311) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0030211 k( 312) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0030211 k( 313) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0030211 k( 314) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030211 k( 315) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030211 k( 316) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0030211 k( 317) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0030211 k( 318) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0030211 k( 319) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0030211 k( 320) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0030211 k( 321) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0030211 k( 322) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0030211 k( 323) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030211 k( 324) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0030211 k( 325) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0030211 k( 326) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0030211 k( 327) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0030211 k( 328) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0030211 k( 329) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0030211 k( 330) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0030211 k( 331) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030211 Dense grid: 219017 G-vectors FFT dimensions: ( 60, 60, 160) Smooth grid: 34777 G-vectors FFT dimensions: ( 32, 32, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 244, 62) NL pseudopotentials 0.31 Mb ( 122, 168) Each V/rho on FFT grid 0.27 Mb ( 18000) Each G-vector array 0.05 Mb ( 6089) G-vector shells 0.02 Mb ( 2620) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 244, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.32 Mb ( 168, 2, 62) The potential is recalculated from file : ./CdHClO.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5.3 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 7.4 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.4 secs Computing kpt #: 4 total cpu time spent up to now is 11.2 secs Computing kpt #: 5 total cpu time spent up to now is 12.1 secs Computing kpt #: 6 total cpu time spent up to now is 12.9 secs Computing kpt #: 7 total cpu time spent up to now is 13.7 secs Computing kpt #: 8 total cpu time spent up to now is 14.5 secs Computing kpt #: 9 total cpu time spent up to now is 15.4 secs Computing kpt #: 10 total cpu time spent up to now is 16.1 secs Computing kpt #: 11 total cpu time spent up to now is 16.8 secs Computing kpt #: 12 total cpu time spent up to now is 17.5 secs Computing kpt #: 13 total cpu time spent up to now is 18.2 secs Computing kpt #: 14 total cpu time spent up to now is 18.9 secs Computing kpt #: 15 total cpu time spent up to now is 19.6 secs Computing kpt #: 16 total cpu time spent up to now is 20.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.9 secs Computing kpt #: 18 total cpu time spent up to now is 21.6 secs Computing kpt #: 19 total cpu time spent up to now is 22.3 secs Computing kpt #: 20 total cpu time spent up to now is 22.9 secs Computing kpt #: 21 total cpu time spent up to now is 23.6 secs Computing kpt #: 22 total cpu time spent up to now is 24.3 secs Computing kpt #: 23 total cpu time spent up to now is 25.0 secs Computing kpt #: 24 total cpu time spent up to now is 25.7 secs Computing kpt #: 25 total cpu time spent up to now is 26.4 secs Computing kpt #: 26 total cpu time spent up to now is 27.1 secs Computing kpt #: 27 total cpu time spent up to now is 27.8 secs Computing kpt #: 28 total cpu time spent up to now is 28.6 secs Computing kpt #: 29 total cpu time spent up to now is 29.3 secs Computing kpt #: 30 total cpu time spent up to now is 30.1 secs Computing kpt #: 31 total cpu time spent up to now is 30.8 secs Computing kpt #: 32 total cpu time spent up to now is 31.6 secs Computing kpt #: 33 total cpu time spent up to now is 32.3 secs Computing kpt #: 34 total cpu time spent up to now is 33.0 secs Computing kpt #: 35 total cpu time spent up to now is 33.7 secs Computing kpt #: 36 total cpu time spent up to now is 34.4 secs Computing kpt #: 37 total cpu time spent up to now is 35.1 secs Computing kpt #: 38 total cpu time spent up to now is 35.9 secs Computing kpt #: 39 total cpu time spent up to now is 36.6 secs Computing kpt #: 40 total cpu time spent up to now is 37.3 secs Computing kpt #: 41 total cpu time spent up to now is 38.0 secs Computing kpt #: 42 total cpu time spent up to now is 38.8 secs Computing kpt #: 43 total cpu time spent up to now is 39.5 secs Computing kpt #: 44 total cpu time spent up to now is 40.3 secs Computing kpt #: 45 total cpu time spent up to now is 41.1 secs Computing kpt #: 46 total cpu time spent up to now is 41.8 secs Computing kpt #: 47 total cpu time spent up to now is 42.6 secs Computing kpt #: 48 total cpu time spent up to now is 43.4 secs Computing kpt #: 49 total cpu time spent up to now is 44.2 secs Computing kpt #: 50 total cpu time spent up to now is 45.0 secs Computing kpt #: 51 total cpu time spent up to now is 45.8 secs Computing kpt #: 52 total cpu time spent up to now is 46.6 secs Computing kpt #: 53 total cpu time spent up to now is 47.4 secs Computing kpt #: 54 total cpu time spent up to now is 48.2 secs Computing kpt #: 55 total cpu time spent up to now is 49.0 secs Computing kpt #: 56 total cpu time spent up to now is 49.8 secs Computing kpt #: 57 total cpu time spent up to now is 50.6 secs Computing kpt #: 58 total cpu time spent up to now is 51.5 secs Computing kpt #: 59 total cpu time spent up to now is 52.3 secs Computing kpt #: 60 total cpu time spent up to now is 53.2 secs Computing kpt #: 61 total cpu time spent up to now is 54.0 secs Computing kpt #: 62 total cpu time spent up to now is 54.8 secs Computing kpt #: 63 total cpu time spent up to now is 55.6 secs Computing kpt #: 64 total cpu time spent up to now is 56.5 secs Computing kpt #: 65 total cpu time spent up to now is 57.4 secs Computing kpt #: 66 total cpu time spent up to now is 58.3 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.3 secs Computing kpt #: 68 total cpu time spent up to now is 61.1 secs Computing kpt #: 69 total cpu time spent up to now is 63.0 secs Computing kpt #: 70 total cpu time spent up to now is 64.0 secs Computing kpt #: 71 total cpu time spent up to now is 65.0 secs Computing kpt #: 72 total cpu time spent up to now is 65.7 secs Computing kpt #: 73 total cpu time spent up to now is 66.5 secs Computing kpt #: 74 total cpu time spent up to now is 67.2 secs Computing kpt #: 75 total cpu time spent up to now is 67.9 secs Computing kpt #: 76 total cpu time spent up to now is 68.6 secs Computing kpt #: 77 total cpu time spent up to now is 69.3 secs Computing kpt #: 78 total cpu time spent up to now is 70.0 secs Computing kpt #: 79 total cpu time spent up to now is 70.7 secs Computing kpt #: 80 total cpu time spent up to now is 71.4 secs Computing kpt #: 81 total cpu time spent up to now is 72.1 secs Computing kpt #: 82 total cpu time spent up to now is 72.9 secs Computing kpt #: 83 total cpu time spent up to now is 73.6 secs Computing kpt #: 84 total cpu time spent up to now is 74.3 secs Computing kpt #: 85 total cpu time spent up to now is 75.0 secs Computing kpt #: 86 total cpu time spent up to now is 75.7 secs Computing kpt #: 87 total cpu time spent up to now is 76.4 secs Computing kpt #: 88 total cpu time spent up to now is 77.1 secs Computing kpt #: 89 total cpu time spent up to now is 77.8 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 79.3 secs Computing kpt #: 92 total cpu time spent up to now is 80.0 secs Computing kpt #: 93 total cpu time spent up to now is 80.7 secs Computing kpt #: 94 total cpu time spent up to now is 81.4 secs Computing kpt #: 95 total cpu time spent up to now is 82.1 secs Computing kpt #: 96 total cpu time spent up to now is 82.8 secs Computing kpt #: 97 total cpu time spent up to now is 83.5 secs Computing kpt #: 98 total cpu time spent up to now is 84.2 secs Computing kpt #: 99 total cpu time spent up to now is 84.9 secs Computing kpt #: 100 total cpu time spent up to now is 85.6 secs Computing kpt #: 101 total cpu time spent up to now is 86.3 secs Computing kpt #: 102 total cpu time spent up to now is 87.1 secs Computing kpt #: 103 total cpu time spent up to now is 87.8 secs Computing kpt #: 104 total cpu time spent up to now is 88.5 secs Computing kpt #: 105 total cpu time spent up to now is 89.2 secs Computing kpt #: 106 total cpu time spent up to now is 90.1 secs Computing kpt #: 107 total cpu time spent up to now is 91.7 secs Computing kpt #: 108 total cpu time spent up to now is 92.8 secs Computing kpt #: 109 total cpu time spent up to now is 93.6 secs Computing kpt #: 110 total cpu time spent up to now is 94.3 secs Computing kpt #: 111 total cpu time spent up to now is 95.0 secs Computing kpt #: 112 total cpu time spent up to now is 95.7 secs Computing kpt #: 113 total cpu time spent up to now is 96.4 secs Computing kpt #: 114 total cpu time spent up to now is 97.1 secs Computing kpt #: 115 total cpu time spent up to now is 97.8 secs Computing kpt #: 116 total cpu time spent up to now is 98.4 secs Computing kpt #: 117 total cpu time spent up to now is 99.1 secs Computing kpt #: 118 total cpu time spent up to now is 99.8 secs Computing kpt #: 119 total cpu time spent up to now is 100.4 secs Computing kpt #: 120 total cpu time spent up to now is 101.1 secs Computing kpt #: 121 total cpu time spent up to now is 101.8 secs Computing kpt #: 122 total cpu time spent up to now is 102.5 secs Computing kpt #: 123 total cpu time spent up to now is 103.1 secs Computing kpt #: 124 total cpu time spent up to now is 103.8 secs Computing kpt #: 125 total cpu time spent up to now is 104.5 secs Computing kpt #: 126 total cpu time spent up to now is 105.1 secs Computing kpt #: 127 total cpu time spent up to now is 105.8 secs Computing kpt #: 128 total cpu time spent up to now is 106.5 secs Computing kpt #: 129 total cpu time spent up to now is 107.3 secs Computing kpt #: 130 total cpu time spent up to now is 108.0 secs Computing kpt #: 131 total cpu time spent up to now is 108.7 secs Computing kpt #: 132 total cpu time spent up to now is 109.6 secs Computing kpt #: 133 total cpu time spent up to now is 110.4 secs Computing kpt #: 134 total cpu time spent up to now is 111.2 secs Computing kpt #: 135 total cpu time spent up to now is 112.2 secs Computing kpt #: 136 total cpu time spent up to now is 113.5 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.5 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.6 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.6 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.7 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.8 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 126.0 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.0 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.1 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.2 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.3 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.3 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 138.4 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.4 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.5 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.5 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.6 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.6 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.6 secs Computing kpt #: 155 total cpu time spent up to now is 152.2 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.5 secs Computing kpt #: 157 total cpu time spent up to now is 155.7 secs Computing kpt #: 158 total cpu time spent up to now is 156.8 secs Computing kpt #: 159 total cpu time spent up to now is 158.3 secs Computing kpt #: 160 total cpu time spent up to now is 159.4 secs Computing kpt #: 161 total cpu time spent up to now is 161.2 secs Computing kpt #: 162 total cpu time spent up to now is 162.1 secs Computing kpt #: 163 total cpu time spent up to now is 163.1 secs Computing kpt #: 164 total cpu time spent up to now is 164.1 secs Computing kpt #: 165 total cpu time spent up to now is 165.0 secs Computing kpt #: 166 total cpu time spent up to now is 165.8 secs Computing kpt #: 167 total cpu time spent up to now is 166.7 secs Computing kpt #: 168 total cpu time spent up to now is 167.6 secs Computing kpt #: 169 total cpu time spent up to now is 168.4 secs Computing kpt #: 170 total cpu time spent up to now is 169.2 secs Computing kpt #: 171 total cpu time spent up to now is 170.1 secs Computing kpt #: 172 total cpu time spent up to now is 170.9 secs Computing kpt #: 173 total cpu time spent up to now is 171.7 secs Computing kpt #: 174 total cpu time spent up to now is 172.5 secs Computing kpt #: 175 total cpu time spent up to now is 173.4 secs Computing kpt #: 176 total cpu time spent up to now is 174.2 secs Computing kpt #: 177 total cpu time spent up to now is 175.0 secs Computing kpt #: 178 total cpu time spent up to now is 175.8 secs Computing kpt #: 179 total cpu time spent up to now is 176.7 secs Computing kpt #: 180 total cpu time spent up to now is 177.6 secs Computing kpt #: 181 total cpu time spent up to now is 178.4 secs Computing kpt #: 182 total cpu time spent up to now is 179.2 secs Computing kpt #: 183 total cpu time spent up to now is 180.0 secs Computing kpt #: 184 total cpu time spent up to now is 180.8 secs Computing kpt #: 185 total cpu time spent up to now is 181.5 secs Computing kpt #: 186 total cpu time spent up to now is 182.3 secs Computing kpt #: 187 total cpu time spent up to now is 183.1 secs Computing kpt #: 188 total cpu time spent up to now is 183.8 secs Computing kpt #: 189 total cpu time spent up to now is 184.7 secs Computing kpt #: 190 total cpu time spent up to now is 185.5 secs Computing kpt #: 191 total cpu time spent up to now is 186.3 secs Computing kpt #: 192 total cpu time spent up to now is 187.0 secs Computing kpt #: 193 total cpu time spent up to now is 187.7 secs Computing kpt #: 194 total cpu time spent up to now is 188.5 secs Computing kpt #: 195 total cpu time spent up to now is 189.3 secs Computing kpt #: 196 total cpu time spent up to now is 190.2 secs Computing kpt #: 197 total cpu time spent up to now is 191.0 secs Computing kpt #: 198 total cpu time spent up to now is 191.8 secs Computing kpt #: 199 total cpu time spent up to now is 192.6 secs Computing kpt #: 200 total cpu time spent up to now is 193.3 secs Computing kpt #: 201 total cpu time spent up to now is 194.1 secs Computing kpt #: 202 total cpu time spent up to now is 194.8 secs Computing kpt #: 203 total cpu time spent up to now is 195.7 secs Computing kpt #: 204 total cpu time spent up to now is 196.4 secs Computing kpt #: 205 total cpu time spent up to now is 197.3 secs Computing kpt #: 206 total cpu time spent up to now is 198.0 secs Computing kpt #: 207 total cpu time spent up to now is 198.9 secs Computing kpt #: 208 total cpu time spent up to now is 199.6 secs Computing kpt #: 209 total cpu time spent up to now is 200.3 secs Computing kpt #: 210 total cpu time spent up to now is 201.2 secs Computing kpt #: 211 total cpu time spent up to now is 202.1 secs Computing kpt #: 212 total cpu time spent up to now is 203.0 secs Computing kpt #: 213 total cpu time spent up to now is 203.8 secs Computing kpt #: 214 total cpu time spent up to now is 204.7 secs Computing kpt #: 215 total cpu time spent up to now is 205.7 secs Computing kpt #: 216 total cpu time spent up to now is 206.6 secs Computing kpt #: 217 total cpu time spent up to now is 207.5 secs Computing kpt #: 218 total cpu time spent up to now is 208.6 secs Computing kpt #: 219 total cpu time spent up to now is 209.5 secs Computing kpt #: 220 total cpu time spent up to now is 211.0 secs Computing kpt #: 221 total cpu time spent up to now is 212.1 secs Computing kpt #: 222 total cpu time spent up to now is 213.1 secs Computing kpt #: 223 total cpu time spent up to now is 214.5 secs Computing kpt #: 224 total cpu time spent up to now is 215.5 secs Computing kpt #: 225 total cpu time spent up to now is 216.5 secs Computing kpt #: 226 total cpu time spent up to now is 217.6 secs Computing kpt #: 227 total cpu time spent up to now is 218.6 secs Computing kpt #: 228 total cpu time spent up to now is 219.7 secs Computing kpt #: 229 total cpu time spent up to now is 220.7 secs Computing kpt #: 230 total cpu time spent up to now is 221.7 secs Computing kpt #: 231 total cpu time spent up to now is 222.6 secs Computing kpt #: 232 total cpu time spent up to now is 223.7 secs Computing kpt #: 233 total cpu time spent up to now is 224.6 secs Computing kpt #: 234 total cpu time spent up to now is 225.5 secs Computing kpt #: 235 total cpu time spent up to now is 226.5 secs Computing kpt #: 236 total cpu time spent up to now is 227.7 secs Computing kpt #: 237 total cpu time spent up to now is 228.6 secs Computing kpt #: 238 total cpu time spent up to now is 229.5 secs Computing kpt #: 239 total cpu time spent up to now is 230.4 secs Computing kpt #: 240 total cpu time spent up to now is 231.3 secs Computing kpt #: 241 total cpu time spent up to now is 232.3 secs Computing kpt #: 242 total cpu time spent up to now is 233.1 secs Computing kpt #: 243 total cpu time spent up to now is 234.1 secs Computing kpt #: 244 total cpu time spent up to now is 235.0 secs Computing kpt #: 245 total cpu time spent up to now is 235.9 secs Computing kpt #: 246 total cpu time spent up to now is 236.8 secs Computing kpt #: 247 total cpu time spent up to now is 238.0 secs Computing kpt #: 248 total cpu time spent up to now is 238.9 secs Computing kpt #: 249 total cpu time spent up to now is 239.8 secs Computing kpt #: 250 total cpu time spent up to now is 240.8 secs Computing kpt #: 251 total cpu time spent up to now is 241.9 secs Computing kpt #: 252 total cpu time spent up to now is 242.8 secs Computing kpt #: 253 total cpu time spent up to now is 244.3 secs Computing kpt #: 254 total cpu time spent up to now is 245.4 secs Computing kpt #: 255 total cpu time spent up to now is 246.9 secs Computing kpt #: 256 total cpu time spent up to now is 248.7 secs Computing kpt #: 257 total cpu time spent up to now is 250.1 secs Computing kpt #: 258 total cpu time spent up to now is 251.9 secs Computing kpt #: 259 total cpu time spent up to now is 252.9 secs Computing kpt #: 260 total cpu time spent up to now is 254.0 secs Computing kpt #: 261 total cpu time spent up to now is 255.4 secs Computing kpt #: 262 total cpu time spent up to now is 256.9 secs Computing kpt #: 263 total cpu time spent up to now is 258.4 secs Computing kpt #: 264 total cpu time spent up to now is 259.2 secs Computing kpt #: 265 total cpu time spent up to now is 260.1 secs Computing kpt #: 266 total cpu time spent up to now is 261.0 secs Computing kpt #: 267 total cpu time spent up to now is 261.9 secs Computing kpt #: 268 total cpu time spent up to now is 262.8 secs Computing kpt #: 269 total cpu time spent up to now is 263.5 secs Computing kpt #: 270 total cpu time spent up to now is 264.2 secs Computing kpt #: 271 total cpu time spent up to now is 264.9 secs Computing kpt #: 272 total cpu time spent up to now is 265.8 secs Computing kpt #: 273 total cpu time spent up to now is 266.6 secs Computing kpt #: 274 total cpu time spent up to now is 267.4 secs Computing kpt #: 275 total cpu time spent up to now is 268.2 secs Computing kpt #: 276 total cpu time spent up to now is 269.0 secs Computing kpt #: 277 total cpu time spent up to now is 269.9 secs Computing kpt #: 278 total cpu time spent up to now is 270.7 secs Computing kpt #: 279 total cpu time spent up to now is 271.5 secs Computing kpt #: 280 total cpu time spent up to now is 272.3 secs Computing kpt #: 281 total cpu time spent up to now is 273.1 secs Computing kpt #: 282 total cpu time spent up to now is 274.0 secs Computing kpt #: 283 total cpu time spent up to now is 274.8 secs Computing kpt #: 284 total cpu time spent up to now is 275.6 secs Computing kpt #: 285 total cpu time spent up to now is 276.4 secs Computing kpt #: 286 total cpu time spent up to now is 277.2 secs Computing kpt #: 287 total cpu time spent up to now is 278.1 secs Computing kpt #: 288 total cpu time spent up to now is 278.9 secs Computing kpt #: 289 total cpu time spent up to now is 279.8 secs Computing kpt #: 290 total cpu time spent up to now is 280.7 secs Computing kpt #: 291 total cpu time spent up to now is 281.6 secs Computing kpt #: 292 total cpu time spent up to now is 282.6 secs Computing kpt #: 293 total cpu time spent up to now is 283.7 secs Computing kpt #: 294 total cpu time spent up to now is 284.8 secs Computing kpt #: 295 total cpu time spent up to now is 285.9 secs Computing kpt #: 296 total cpu time spent up to now is 287.1 secs Computing kpt #: 297 total cpu time spent up to now is 288.1 secs Computing kpt #: 298 total cpu time spent up to now is 288.8 secs Computing kpt #: 299 total cpu time spent up to now is 289.7 secs Computing kpt #: 300 total cpu time spent up to now is 290.5 secs Computing kpt #: 301 total cpu time spent up to now is 291.3 secs Computing kpt #: 302 total cpu time spent up to now is 292.1 secs Computing kpt #: 303 total cpu time spent up to now is 292.9 secs Computing kpt #: 304 total cpu time spent up to now is 293.7 secs Computing kpt #: 305 total cpu time spent up to now is 294.5 secs Computing kpt #: 306 total cpu time spent up to now is 295.3 secs Computing kpt #: 307 total cpu time spent up to now is 296.1 secs Computing kpt #: 308 total cpu time spent up to now is 296.9 secs Computing kpt #: 309 total cpu time spent up to now is 297.8 secs Computing kpt #: 310 total cpu time spent up to now is 298.6 secs Computing kpt #: 311 total cpu time spent up to now is 299.4 secs Computing kpt #: 312 total cpu time spent up to now is 300.3 secs Computing kpt #: 313 total cpu time spent up to now is 301.1 secs Computing kpt #: 314 total cpu time spent up to now is 301.9 secs Computing kpt #: 315 total cpu time spent up to now is 302.6 secs Computing kpt #: 316 total cpu time spent up to now is 303.3 secs Computing kpt #: 317 total cpu time spent up to now is 304.0 secs Computing kpt #: 318 total cpu time spent up to now is 304.7 secs Computing kpt #: 319 total cpu time spent up to now is 305.4 secs Computing kpt #: 320 total cpu time spent up to now is 306.1 secs Computing kpt #: 321 total cpu time spent up to now is 306.8 secs Computing kpt #: 322 total cpu time spent up to now is 307.7 secs Computing kpt #: 323 total cpu time spent up to now is 308.6 secs Computing kpt #: 324 total cpu time spent up to now is 309.5 secs Computing kpt #: 325 total cpu time spent up to now is 310.3 secs Computing kpt #: 326 total cpu time spent up to now is 311.3 secs Computing kpt #: 327 total cpu time spent up to now is 312.2 secs Computing kpt #: 328 total cpu time spent up to now is 313.2 secs Computing kpt #: 329 total cpu time spent up to now is 314.1 secs Computing kpt #: 330 total cpu time spent up to now is 314.9 secs Computing kpt #: 331 total cpu time spent up to now is 315.9 secs ethr = 1.92E-08, avg # of iterations = 34.7 total cpu time spent up to now is 315.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4369 PWs) bands (ev): -13.9112 -13.9112 -13.8904 -13.8904 -9.3536 -9.3536 -9.2760 -9.2760 -2.7813 -2.7813 -2.5467 -2.5467 -2.4567 -2.4567 -2.4503 -2.4503 -2.0801 -2.0801 -2.0358 -2.0358 -1.5776 -1.5776 -1.5531 -1.5531 -1.4263 -1.4263 -1.4186 -1.4186 -0.3532 -0.3532 -0.2523 -0.2523 1.6151 1.6151 2.6717 2.6717 3.3679 3.3679 3.4154 3.4154 3.5802 3.5802 3.6054 3.6054 4.0623 4.0623 4.0940 4.0940 4.2481 4.2481 4.2573 4.2573 6.8705 6.8705 8.9661 8.9661 10.3426 10.3426 10.8428 10.8428 14.7770 14.7811 k = 0.0100 0.0058-0.0000 ( 4369 PWs) bands (ev): -13.9112 -13.9110 -13.8904 -13.8903 -9.3533 -9.3531 -9.2758 -9.2756 -2.7816 -2.7800 -2.5480 -2.5453 -2.4564 -2.4564 -2.4499 -2.4499 -2.0822 -2.0775 -2.0408 -2.0304 -1.5815 -1.5738 -1.5571 -1.5491 -1.4263 -1.4263 -1.4187 -1.4187 -0.3535 -0.3530 -0.2527 -0.2525 1.6153 1.6162 2.6710 2.6723 3.3650 3.3677 3.4141 3.4142 3.5769 3.5782 3.6032 3.6034 4.0602 4.0618 4.0927 4.0927 4.2463 4.2473 4.2562 4.2563 6.8741 6.8762 8.9669 8.9687 10.3457 10.3465 10.8458 10.8471 14.7598 14.7750 k = 0.0200 0.0115-0.0000 ( 4363 PWs) bands (ev): -13.9109 -13.9106 -13.8902 -13.8899 -9.3523 -9.3519 -9.2750 -9.2747 -2.7808 -2.7776 -2.5492 -2.5441 -2.4555 -2.4555 -2.4486 -2.4484 -2.0836 -2.0743 -2.0454 -2.0247 -1.5853 -1.5700 -1.5611 -1.5451 -1.4265 -1.4265 -1.4189 -1.4189 -0.3539 -0.3530 -0.2539 -0.2534 1.6169 1.6187 2.6701 2.6728 3.3591 3.3646 3.4103 3.4106 3.5669 3.5702 3.5978 3.5988 4.0551 4.0585 4.0888 4.0891 4.2404 4.2424 4.2544 4.2544 6.8871 6.8913 8.9709 8.9745 10.3558 10.3573 10.8563 10.8588 14.6794 14.7715 k = 0.0300 0.0173-0.0000 ( 4357 PWs) bands (ev): -13.9103 -13.9099 -13.8897 -13.8893 -9.3505 -9.3499 -9.2737 -9.2732 -2.7789 -2.7741 -2.5504 -2.5429 -2.4541 -2.4540 -2.4465 -2.4461 -2.0845 -2.0705 -2.0497 -2.0186 -1.5892 -1.5664 -1.5652 -1.5413 -1.4268 -1.4267 -1.4194 -1.4193 -0.3545 -0.3532 -0.2557 -0.2550 1.6198 1.6226 2.6692 2.6732 3.3498 3.3585 3.4040 3.4049 3.5485 3.5541 3.5913 3.5936 4.0463 4.0517 4.0833 4.0841 4.2295 4.2321 4.2529 4.2531 6.9093 6.9155 8.9782 8.9835 10.3726 10.3749 10.8739 10.8777 14.5749 14.6830 k = 0.0400 0.0231-0.0000 ( 4367 PWs) bands (ev): -13.9096 -13.9090 -13.8891 -13.8885 -9.3479 -9.3472 -9.2719 -9.2712 -2.7760 -2.7696 -2.5516 -2.5419 -2.4521 -2.4521 -2.4437 -2.4428 -2.0849 -2.0662 -2.0536 -2.0123 -1.5931 -1.5693 -1.5629 -1.5376 -1.4274 -1.4271 -1.4202 -1.4200 -0.3552 -0.3535 -0.2582 -0.2573 1.6241 1.6277 2.6680 2.6735 3.3369 3.3490 3.3952 3.3971 3.5220 3.5297 3.5848 3.5880 4.0332 4.0407 4.0772 4.0785 4.2136 4.2167 4.2516 4.2521 6.9403 6.9484 8.9886 8.9956 10.3961 10.3992 10.8987 10.9037 14.4648 14.5713 k = 0.0500 0.0289-0.0000 ( 4371 PWs) bands (ev): -13.9086 -13.9078 -13.8883 -13.8875 -9.3446 -9.3437 -9.2695 -9.2687 -2.7721 -2.7641 -2.5525 -2.5410 -2.4496 -2.4494 -2.4402 -2.4385 -2.0847 -2.0612 -2.0571 -2.0056 -1.5971 -1.5735 -1.5594 -1.5340 -1.4280 -1.4276 -1.4213 -1.4209 -0.3560 -0.3539 -0.2613 -0.2604 1.6296 1.6340 2.6666 2.6735 3.3200 3.3356 3.3841 3.3875 3.4887 3.4983 3.5778 3.5818 4.0158 4.0252 4.0712 4.0727 4.1929 4.1966 4.2503 4.2511 6.9796 6.9896 9.0020 9.0107 10.4259 10.4298 10.9302 10.9367 14.3511 14.4554 k = 0.0600 0.0346-0.0000 ( 4369 PWs) bands (ev): -13.9073 -13.9065 -13.8872 -13.8863 -9.3406 -9.3395 -9.2666 -9.2656 -2.7672 -2.7576 -2.5533 -2.5402 -2.4465 -2.4462 -2.4359 -2.4332 -2.0840 -2.0601 -2.0556 -1.9985 -1.6009 -1.5777 -1.5561 -1.5304 -1.4288 -1.4281 -1.4224 -1.4217 -0.3570 -0.3546 -0.2650 -0.2642 1.6363 1.6414 2.6649 2.6733 3.2986 3.3174 3.3711 3.3760 3.4502 3.4617 3.5699 3.5746 3.9945 4.0058 4.0650 4.0667 4.1678 4.1719 4.2489 4.2500 7.0267 7.0384 9.0183 9.0286 10.4616 10.4666 10.9684 10.9762 14.2349 14.3370 k = 0.0700 0.0404-0.0000 ( 4373 PWs) bands (ev): -13.9058 -13.9049 -13.8860 -13.8850 -9.3358 -9.3346 -9.2632 -9.2620 -2.7615 -2.7503 -2.5539 -2.5396 -2.4428 -2.4423 -2.4310 -2.4269 -2.0829 -2.0627 -2.0495 -1.9911 -1.6047 -1.5818 -1.5529 -1.5271 -1.4297 -1.4286 -1.4237 -1.4226 -0.3580 -0.3553 -0.2693 -0.2686 1.6440 1.6498 2.6629 2.6728 3.2718 3.2930 3.3565 3.3623 3.4084 3.4220 3.5609 3.5662 3.9698 3.9829 4.0586 4.0604 4.1386 4.1430 4.2474 4.2488 7.0810 7.0943 9.0373 9.0491 10.5030 10.5090 11.0128 11.0221 14.1174 14.2171 k = 0.0800 0.0462-0.0000 ( 4381 PWs) bands (ev): -13.9042 -13.9031 -13.8846 -13.8835 -9.3304 -9.3289 -9.2592 -9.2579 -2.7548 -2.7420 -2.5543 -2.5392 -2.4388 -2.4378 -2.4254 -2.4197 -2.0814 -2.0647 -2.0428 -1.9832 -1.6086 -1.5860 -1.5500 -1.5239 -1.4308 -1.4291 -1.4253 -1.4236 -0.3592 -0.3563 -0.2743 -0.2738 1.6526 1.6590 2.6604 2.6719 3.2386 3.2607 3.3401 3.3442 3.3677 3.3816 3.5507 3.5565 3.9422 3.9572 4.0514 4.0535 4.1057 4.1101 4.2458 4.2474 7.1418 7.1566 9.0588 9.0720 10.5495 10.5566 11.0630 11.0739 13.9992 14.0964 k = 0.0900 0.0520-0.0000 ( 4385 PWs) bands (ev): -13.9023 -13.9010 -13.8830 -13.8818 -9.3242 -9.3226 -9.2548 -9.2532 -2.7473 -2.7329 -2.5545 -2.5388 -2.4343 -2.4327 -2.4192 -2.4115 -2.0796 -2.0660 -2.0355 -1.9750 -1.6123 -1.5901 -1.5471 -1.5210 -1.4319 -1.4295 -1.4270 -1.4245 -0.3604 -0.3574 -0.2796 -0.2796 1.6621 1.6689 2.6572 2.6705 3.1976 3.2193 3.3126 3.3213 3.3394 3.3436 3.5391 3.5456 3.9124 3.9293 4.0419 4.0453 4.0711 4.0744 4.2440 4.2459 7.2085 7.2246 9.0825 9.0970 10.6005 10.6090 11.1185 11.1313 13.8811 13.9757 k = 0.1000 0.0577-0.0000 ( 4377 PWs) bands (ev): -13.9001 -13.8988 -13.8813 -13.8799 -9.3174 -9.3156 -9.2498 -9.2481 -2.7390 -2.7231 -2.5544 -2.5387 -2.4293 -2.4268 -2.4122 -2.4024 -2.0776 -2.0664 -2.0276 -1.9663 -1.6158 -1.5940 -1.5444 -1.5182 -1.4330 -1.4297 -1.4288 -1.4252 -0.3616 -0.3586 -0.2860 -0.2855 1.6721 1.6793 2.6534 2.6685 3.1482 3.1689 3.2728 3.2963 3.3128 3.3197 3.5263 3.5333 3.8807 3.8995 4.0189 4.0263 4.0457 4.0462 4.2422 4.2443 7.2805 7.2978 9.1082 9.1240 10.6556 10.6655 11.1789 11.1937 13.7638 13.8555 k = 0.1100 0.0635-0.0000 ( 4379 PWs) bands (ev): -13.8978 -13.8964 -13.8793 -13.8778 -9.3099 -9.3080 -9.2443 -9.2425 -2.7301 -2.7127 -2.5540 -2.5387 -2.4239 -2.4204 -2.4047 -2.3924 -2.0759 -2.0656 -2.0191 -1.9573 -1.6194 -1.5979 -1.5420 -1.5157 -1.4342 -1.4308 -1.4298 -1.4258 -0.3628 -0.3600 -0.2931 -0.2918 1.6824 1.6899 2.6487 2.6658 3.0911 3.1109 3.2333 3.2635 3.2899 3.3001 3.5122 3.5196 3.8477 3.8683 3.9789 3.9860 4.0349 4.0352 4.2402 4.2427 7.3572 7.3756 9.1356 9.1525 10.7140 10.7255 11.2436 11.2606 13.6480 13.7364 k = 0.1200 0.0693-0.0000 ( 4375 PWs) bands (ev): -13.8954 -13.8938 -13.8772 -13.8756 -9.3018 -9.2998 -9.2384 -9.2364 -2.7206 -2.7017 -2.5534 -2.5388 -2.4181 -2.4132 -2.3965 -2.3816 -2.0745 -2.0636 -2.0101 -1.9478 -1.6229 -1.6015 -1.5398 -1.5135 -1.4355 -1.4327 -1.4299 -1.4259 -0.3641 -0.3616 -0.3007 -0.2985 1.6928 1.7004 2.6429 2.6622 3.0282 3.0475 3.1945 3.2286 3.2681 3.2795 3.4967 3.5047 3.8136 3.8357 3.9340 3.9404 4.0265 4.0266 4.2383 4.2410 7.4381 7.4574 9.1643 9.1822 10.7750 10.7883 11.3119 11.3316 13.5343 13.6190 k = 0.1300 0.0751-0.0000 ( 4377 PWs) bands (ev): -13.8927 -13.8910 -13.8750 -13.8733 -9.2932 -9.2910 -9.2320 -9.2299 -2.7107 -2.6905 -2.5524 -2.5389 -2.4118 -2.4053 -2.3879 -2.3700 -2.0734 -2.0603 -2.0006 -1.9380 -1.6263 -1.6049 -1.5379 -1.5116 -1.4369 -1.4345 -1.4299 -1.4255 -0.3654 -0.3634 -0.3089 -0.3054 1.7031 1.7106 2.6357 2.6575 2.9609 2.9802 3.1558 3.1929 3.2457 3.2576 3.4799 3.4884 3.7787 3.8016 3.8875 3.8926 4.0182 4.0184 4.2363 4.2393 7.5225 7.5427 9.1941 9.2130 10.8379 10.8531 11.3831 11.4059 13.4236 13.5040 k = 0.1400 0.0808-0.0000 ( 4385 PWs) bands (ev): -13.8899 -13.8881 -13.8726 -13.8708 -9.2839 -9.2816 -9.2251 -9.2229 -2.7004 -2.6791 -2.5509 -2.5392 -2.4053 -2.3969 -2.3787 -2.3578 -2.0722 -2.0563 -1.9907 -1.9278 -1.6297 -1.6080 -1.5363 -1.5100 -1.4386 -1.4361 -1.4298 -1.4245 -0.3668 -0.3655 -0.3175 -0.3126 1.7127 1.7201 2.6269 2.6516 2.8907 2.9103 3.1168 3.1564 3.2223 3.2344 3.4617 3.4707 3.7428 3.7649 3.8414 3.8438 4.0099 4.0102 4.2343 4.2375 7.6099 7.6309 9.2246 9.2443 10.9016 10.9191 11.4564 11.4829 13.3167 13.3920 k = 0.1500 0.0866-0.0000 ( 4389 PWs) bands (ev): -13.8869 -13.8850 -13.8701 -13.8682 -9.2741 -9.2717 -9.2178 -9.2155 -2.6900 -2.6677 -2.5490 -2.5395 -2.3983 -2.3875 -2.3691 -2.3449 -2.0706 -2.0517 -1.9802 -1.9172 -1.6332 -1.6107 -1.5350 -1.5088 -1.4406 -1.4372 -1.4294 -1.4230 -0.3681 -0.3679 -0.3265 -0.3197 1.7215 1.7284 2.6160 2.6440 2.8186 2.8388 3.0775 3.1194 3.1978 3.2100 3.4424 3.4518 3.7052 3.7239 3.7957 3.7987 4.0016 4.0019 4.2323 4.2358 7.7001 7.7216 9.2555 9.2758 10.9653 10.9852 11.5308 11.5618 13.2149 13.2841 k = 0.1600 0.0924-0.0000 ( 4381 PWs) bands (ev): -13.8838 -13.8818 -13.8675 -13.8655 -9.2638 -9.2613 -9.2102 -9.2077 -2.6794 -2.6565 -2.5465 -2.5397 -2.3907 -2.3773 -2.3589 -2.3314 -2.0686 -2.0466 -1.9693 -1.9063 -1.6365 -1.6128 -1.5339 -1.5078 -1.4427 -1.4379 -1.4285 -1.4209 -0.3707 -0.3693 -0.3358 -0.3266 1.7288 1.7351 2.6025 2.6345 2.7456 2.7669 3.0381 3.0822 3.1722 3.1845 3.4217 3.4318 3.6642 3.6769 3.7508 3.7615 3.9932 3.9936 4.2303 4.2342 7.7924 7.8144 9.2863 9.3073 11.0278 11.0505 11.6051 11.6417 13.1195 13.1813 k = 0.1700 0.0981-0.0000 ( 4385 PWs) bands (ev): -13.8805 -13.8785 -13.8648 -13.8627 -9.2531 -9.2504 -9.2021 -9.1996 -2.6690 -2.6457 -2.5433 -2.5400 -2.3829 -2.3664 -2.3485 -2.3173 -2.0662 -2.0412 -1.9579 -1.8951 -1.6399 -1.6143 -1.5333 -1.5070 -1.4449 -1.4384 -1.4273 -1.4184 -0.3740 -0.3706 -0.3453 -0.3331 1.7343 1.7397 2.5849 2.6217 2.6730 2.6960 2.9991 3.0456 3.1455 3.1578 3.3999 3.4105 3.6181 3.6244 3.7115 3.7303 3.9847 3.9853 4.2284 4.2325 7.8865 7.9088 9.3169 9.3383 11.0879 11.1138 11.6781 11.7216 13.0321 13.0849 k = 0.1800 0.1039-0.0000 ( 4383 PWs) bands (ev): -13.8771 -13.8751 -13.8619 -13.8597 -9.2419 -9.2391 -9.1937 -9.1910 -2.6587 -2.6357 -2.5402 -2.5394 -2.3744 -2.3545 -2.3376 -2.3029 -2.0632 -2.0355 -1.9462 -1.8837 -1.6432 -1.6152 -1.5329 -1.5064 -1.4469 -1.4386 -1.4256 -1.4153 -0.3781 -0.3720 -0.3548 -0.3391 1.7374 1.7416 2.5598 2.5896 2.6170 2.6298 2.9611 3.0101 3.1180 3.1302 3.3768 3.3882 3.5666 3.5682 3.6788 3.7038 3.9763 3.9770 4.2266 4.2309 7.9819 8.0045 9.3468 9.3686 11.1440 11.1735 11.7480 11.8002 12.9549 12.9965 k = 0.1900 0.1097-0.0000 ( 4391 PWs) bands (ev): -13.8737 -13.8715 -13.8590 -13.8568 -9.2303 -9.2274 -9.1849 -9.1822 -2.6489 -2.6266 -2.5403 -2.5347 -2.3655 -2.3419 -2.3266 -2.2881 -2.0597 -2.0295 -1.9342 -1.8723 -1.6464 -1.6154 -1.5328 -1.5060 -1.4488 -1.4385 -1.4234 -1.4119 -0.3829 -0.3743 -0.3634 -0.3441 1.7374 1.7402 2.5173 2.5205 2.5780 2.5953 2.9253 2.9766 3.0896 3.1017 3.3526 3.3648 3.5096 3.5110 3.6520 3.6813 3.9679 3.9687 4.2248 4.2294 8.0784 8.1011 9.3757 9.3979 11.1946 11.2282 11.8131 11.8759 12.8905 12.9183 k = 0.2000 0.1155-0.0000 ( 4395 PWs) bands (ev): -13.8701 -13.8679 -13.8560 -13.8537 -9.2184 -9.2154 -9.1758 -9.1731 -2.6395 -2.6185 -2.5404 -2.5294 -2.3559 -2.3284 -2.3153 -2.2730 -2.0557 -2.0233 -1.9219 -1.8609 -1.6494 -1.6147 -1.5328 -1.5056 -1.4505 -1.4380 -1.4205 -1.4080 -0.3886 -0.3799 -0.3686 -0.3483 1.7338 1.7349 2.4484 2.4563 2.5422 2.5735 2.8925 2.9460 3.0604 3.0725 3.3272 3.3405 3.4498 3.4528 3.6301 3.6623 3.9596 3.9606 4.2231 4.2279 8.1755 8.1982 9.4033 9.4257 11.2377 11.2761 11.8713 11.9467 12.8416 12.8530 k = 0.2100 0.1212-0.0000 ( 4399 PWs) bands (ev): -13.8665 -13.8643 -13.8529 -13.8506 -9.2062 -9.2031 -9.1665 -9.1636 -2.6308 -2.6115 -2.5402 -2.5234 -2.3458 -2.3140 -2.3040 -2.2579 -2.0512 -2.0169 -1.9094 -1.8497 -1.6521 -1.6132 -1.5329 -1.5052 -1.4520 -1.4371 -1.4171 -1.4038 -0.3950 -0.3887 -0.3704 -0.3514 1.7252 1.7261 2.3771 2.3892 2.5098 2.5478 2.8638 2.9190 3.0307 3.0426 3.3003 3.3153 3.3897 3.3930 3.6125 3.6465 3.9514 3.9525 4.2215 4.2265 8.2729 8.2954 9.4294 9.4520 11.2713 11.3153 11.9213 12.0104 12.8036 12.8108 k = 0.2200 0.1270-0.0000 ( 4399 PWs) bands (ev): -13.8628 -13.8606 -13.8498 -13.8474 -9.1937 -9.1906 -9.1569 -9.1540 -2.6229 -2.6055 -2.5398 -2.5171 -2.3350 -2.2989 -2.2925 -2.2427 -2.0462 -2.0104 -1.8967 -1.8388 -1.6542 -1.6107 -1.5330 -1.5047 -1.4531 -1.4357 -1.4131 -1.3992 -0.4019 -0.3984 -0.3709 -0.3536 1.7105 1.7136 2.3074 2.3218 2.4756 2.5175 2.8400 2.8961 3.0004 3.0122 3.2708 3.2894 3.3311 3.3326 3.5986 3.6338 3.9434 3.9446 4.2199 4.2251 8.3702 8.3924 9.4538 9.4766 11.2936 11.3440 11.9623 12.0649 12.7729 12.7994 k = 0.2300 0.1328-0.0000 ( 4403 PWs) bands (ev): -13.8591 -13.8568 -13.8466 -13.8443 -9.1810 -9.1778 -9.1470 -9.1441 -2.6158 -2.6004 -2.5391 -2.5106 -2.3236 -2.2831 -2.2810 -2.2276 -2.0406 -2.0038 -1.8840 -1.8286 -1.6556 -1.6072 -1.5331 -1.5041 -1.4538 -1.4340 -1.4086 -1.3943 -0.4091 -0.4082 -0.3708 -0.3551 1.6905 1.6959 2.2395 2.2555 2.4386 2.4826 2.8214 2.8774 2.9699 2.9815 3.2351 3.2626 3.2722 3.2781 3.5883 3.6240 3.9355 3.9369 4.2185 4.2238 8.4669 8.4885 9.4763 9.4992 11.3029 11.3603 11.9956 12.1091 12.7625 12.8068 k = 0.2400 0.1386-0.0000 ( 4401 PWs) bands (ev): -13.8554 -13.8531 -13.8434 -13.8410 -9.1681 -9.1649 -9.1370 -9.1341 -2.6095 -2.5961 -2.5381 -2.5043 -2.3117 -2.2695 -2.2668 -2.2127 -2.0344 -1.9970 -1.8715 -1.8191 -1.6560 -1.6026 -1.5329 -1.5032 -1.4540 -1.4318 -1.4035 -1.3892 -0.4178 -0.4164 -0.3702 -0.3559 1.6649 1.6727 2.1736 2.1911 2.3989 2.4438 2.8077 2.8628 2.9392 2.9507 3.1872 3.2115 3.2361 3.2373 3.5812 3.6171 3.9278 3.9293 4.2171 4.2226 8.5625 8.5835 9.4970 9.5201 11.2988 11.3635 12.0233 12.1437 12.7709 12.8299 k = 0.2500 0.1443-0.0000 ( 4393 PWs) bands (ev): -13.8516 -13.8493 -13.8402 -13.8378 -9.1551 -9.1519 -9.1269 -9.1239 -2.6041 -2.5924 -2.5367 -2.4983 -2.2992 -2.2581 -2.2501 -2.1982 -2.0277 -1.9900 -1.8591 -1.8106 -1.6553 -1.5967 -1.5324 -1.5019 -1.4537 -1.4291 -1.3980 -1.3838 -0.4272 -0.4235 -0.3692 -0.3560 1.6338 1.6439 2.1099 2.1288 2.3569 2.4017 2.7982 2.8514 2.9091 2.9200 3.1314 3.1522 3.2049 3.2086 3.5772 3.6129 3.9203 3.9220 4.2158 4.2214 8.6566 8.6766 9.5159 9.5391 11.2816 11.3535 12.0482 12.1714 12.7938 12.8638 k = 0.2600 0.1501-0.0000 ( 4389 PWs) bands (ev): -13.8479 -13.8455 -13.8370 -13.8346 -9.1420 -9.1388 -9.1166 -9.1136 -2.5997 -2.5891 -2.5351 -2.4928 -2.2863 -2.2470 -2.2332 -2.1842 -2.0204 -1.9830 -1.8473 -1.8033 -1.6532 -1.5896 -1.5316 -1.5003 -1.4527 -1.4260 -1.3921 -1.3783 -0.4361 -0.4304 -0.3677 -0.3555 1.5974 1.6098 2.0483 2.0685 2.3131 2.3571 2.7917 2.8412 2.8808 2.8896 3.0743 3.0944 3.1751 3.1809 3.5760 3.6111 3.9130 3.9148 4.2146 4.2203 8.7484 8.7672 9.5334 9.5567 11.2532 11.3315 12.0723 12.1950 12.8245 12.9024 k = 0.2700 0.1559-0.0000 ( 4391 PWs) bands (ev): -13.8441 -13.8418 -13.8338 -13.8314 -9.1290 -9.1258 -9.1062 -9.1032 -2.5961 -2.5862 -2.5332 -2.4880 -2.2732 -2.2361 -2.2163 -2.1709 -2.0126 -1.9759 -1.8363 -1.7972 -1.6498 -1.5811 -1.5302 -1.4981 -1.4511 -1.4224 -1.3858 -1.3727 -0.4446 -0.4368 -0.3658 -0.3545 1.5564 1.5708 1.9885 2.0102 2.2681 2.3109 2.7864 2.8265 2.8590 2.8603 3.0186 3.0390 3.1463 3.1530 3.5774 3.6118 3.9059 3.9078 4.2135 4.2192 8.8372 8.8546 9.5497 9.5732 11.2158 11.2996 12.0963 12.2170 12.8555 12.9391 k = 0.2800 0.1617-0.0000 ( 4385 PWs) bands (ev): -13.8404 -13.8381 -13.8306 -13.8283 -9.1160 -9.1127 -9.0958 -9.0929 -2.5932 -2.5836 -2.5312 -2.4840 -2.2599 -2.2254 -2.1997 -2.1583 -2.0043 -1.9685 -1.8263 -1.7921 -1.6447 -1.5713 -1.5282 -1.4954 -1.4488 -1.4184 -1.3793 -1.3669 -0.4524 -0.4427 -0.3634 -0.3530 1.5114 1.5276 1.9303 1.9534 2.2224 2.2637 2.7794 2.8022 2.8330 2.8466 2.9672 2.9878 3.1178 3.1251 3.5812 3.6146 3.8991 3.9011 4.2124 4.2182 8.9219 8.9375 9.5656 9.5894 11.1721 11.2604 12.1205 12.2384 12.8799 12.9672 k = 0.2900 0.1674-0.0000 ( 4389 PWs) bands (ev): -13.8368 -13.8345 -13.8275 -13.8252 -9.1030 -9.0999 -9.0854 -9.0825 -2.5910 -2.5813 -2.5290 -2.4806 -2.2468 -2.2150 -2.1838 -2.1466 -1.9955 -1.9610 -1.8178 -1.7880 -1.6379 -1.5601 -1.5257 -1.4922 -1.4458 -1.4140 -1.3725 -1.3610 -0.4596 -0.4481 -0.3606 -0.3509 1.4633 1.4811 1.8734 1.8979 2.1764 2.2159 2.7661 2.7731 2.8089 2.8328 2.9259 2.9438 3.0898 3.0972 3.5871 3.6195 3.8925 3.8946 4.2114 4.2172 9.0011 9.0147 9.5822 9.6062 11.1247 11.2163 12.1444 12.2592 12.8921 12.9813 k = 0.3000 0.1732-0.0000 ( 4381 PWs) bands (ev): -13.8332 -13.8310 -13.8244 -13.8221 -9.0903 -9.0871 -9.0750 -9.0722 -2.5893 -2.5792 -2.5267 -2.4780 -2.2339 -2.2049 -2.1687 -2.1356 -1.9862 -1.9530 -1.8112 -1.7842 -1.6296 -1.5476 -1.5224 -1.4882 -1.4420 -1.4091 -1.3655 -1.3551 -0.4660 -0.4526 -0.3572 -0.3482 1.4130 1.4320 1.8176 1.8434 2.1303 2.1679 2.7426 2.7449 2.7841 2.8052 2.9040 2.9125 3.0623 3.0697 3.5949 3.6261 3.8862 3.8884 4.2105 4.2163 9.0732 9.0846 9.6007 9.6250 11.0757 11.1700 12.1673 12.2789 12.8901 12.9790 k = 0.3100 0.1790-0.0000 ( 4369 PWs) bands (ev): -13.8297 -13.8275 -13.8214 -13.8191 -9.0778 -9.0747 -9.0647 -9.0619 -2.5880 -2.5772 -2.5245 -2.4760 -2.2214 -2.1951 -2.1548 -2.1253 -1.9766 -1.9447 -1.8066 -1.7806 -1.6196 -1.5339 -1.5183 -1.4835 -1.4374 -1.4039 -1.3585 -1.3490 -0.4715 -0.4563 -0.3533 -0.3451 1.3613 1.3813 1.7626 1.7898 2.0844 2.1201 2.7113 2.7190 2.7518 2.7649 2.8972 2.8993 3.0355 3.0425 3.6045 3.6344 3.8802 3.8825 4.2096 4.2154 9.1362 9.1454 9.6228 9.6471 11.0272 11.1234 12.1885 12.2965 12.8751 12.9624 k = 0.3200 0.1848-0.0000 ( 4359 PWs) bands (ev): -13.8263 -13.8241 -13.8184 -13.8162 -9.0655 -9.0625 -9.0545 -9.0518 -2.5871 -2.5755 -2.5222 -2.4747 -2.2095 -2.1855 -2.1425 -2.1158 -1.9669 -1.9360 -1.8039 -1.7771 -1.6082 -1.5193 -1.5133 -1.4781 -1.4322 -1.3985 -1.3515 -1.3431 -0.4760 -0.4592 -0.3490 -0.3415 1.3089 1.3298 1.7085 1.7368 2.0389 2.0727 2.6788 2.6911 2.7125 2.7213 2.8945 2.9025 3.0095 3.0159 3.6155 3.6440 3.8745 3.8767 4.2088 4.2145 9.1883 9.1954 9.6500 9.6738 10.9808 11.0785 12.2070 12.3107 12.8511 12.9358 k = 0.3300 0.1905-0.0000 ( 4363 PWs) bands (ev): -13.8229 -13.8209 -13.8155 -13.8134 -9.0536 -9.0506 -9.0445 -9.0418 -2.5865 -2.5740 -2.5201 -2.4739 -2.1984 -2.1763 -2.1321 -2.1069 -1.9570 -1.9269 -1.8028 -1.7742 -1.5955 -1.5077 -1.5040 -1.4721 -1.4263 -1.3929 -1.3447 -1.3371 -0.4796 -0.4611 -0.3443 -0.3375 1.2566 1.2781 1.6551 1.6846 1.9940 2.0259 2.6439 2.6610 2.6718 2.6804 2.8987 2.9085 2.9852 2.9902 3.6277 3.6548 3.8690 3.8713 4.2081 4.2137 9.2282 9.2338 9.6830 9.7056 10.9381 11.0369 12.2217 12.3198 12.8230 12.9040 k = 0.3400 0.1963-0.0000 ( 4363 PWs) bands (ev): -13.8197 -13.8177 -13.8127 -13.8107 -9.0421 -9.0393 -9.0346 -9.0320 -2.5861 -2.5728 -2.5181 -2.4736 -2.1881 -2.1674 -2.1234 -2.0988 -1.9471 -1.9176 -1.8027 -1.7718 -1.5817 -1.5012 -1.4882 -1.4653 -1.4198 -1.3870 -1.3381 -1.3312 -0.4821 -0.4620 -0.3392 -0.3331 1.2050 1.2269 1.6026 1.6331 1.9497 1.9799 2.6055 2.6224 2.6394 2.6449 2.9058 2.9137 2.9643 2.9661 3.6408 3.6665 3.8638 3.8661 4.2074 4.2128 9.2560 9.2605 9.7211 9.7419 10.9006 11.0002 12.2314 12.3220 12.7955 12.8711 k = 0.3500 0.2021-0.0000 ( 4371 PWs) bands (ev): -13.8166 -13.8147 -13.8101 -13.8081 -9.0312 -9.0285 -9.0248 -9.0224 -2.5859 -2.5718 -2.5161 -2.4738 -2.1787 -2.1588 -2.1163 -2.0917 -1.9372 -1.9081 -1.8032 -1.7704 -1.5670 -1.4940 -1.4722 -1.4579 -1.4129 -1.3811 -1.3319 -1.3254 -0.4834 -0.4618 -0.3339 -0.3285 1.1546 1.1766 1.5511 1.5825 1.9063 1.9349 2.5651 2.5804 2.6120 2.6141 2.9113 2.9114 2.9463 2.9529 3.6547 3.6789 3.8590 3.8612 4.2068 4.2121 9.2730 9.2770 9.7625 9.7808 10.8696 10.9697 12.2346 12.3153 12.7725 12.8406 k = 0.3600 0.2078-0.0000 ( 4373 PWs) bands (ev): -13.8137 -13.8119 -13.8075 -13.8057 -9.0209 -9.0183 -9.0153 -9.0129 -2.5859 -2.5710 -2.5142 -2.4742 -2.1702 -2.1505 -2.1105 -2.0856 -1.9273 -1.8985 -1.8041 -1.7698 -1.5517 -1.4861 -1.4561 -1.4498 -1.4055 -1.3752 -1.3262 -1.3196 -0.4835 -0.4605 -0.3284 -0.3238 1.1059 1.1279 1.5007 1.5330 1.8641 1.8912 2.5250 2.5392 2.5862 2.5864 2.8968 2.9044 2.9410 2.9550 3.6692 3.6919 3.8544 3.8566 4.2062 4.2113 9.2813 9.2850 9.8044 9.8199 10.8466 10.9467 12.2302 12.2982 12.7570 12.8152 k = 0.3700 0.2136-0.0000 ( 4369 PWs) bands (ev): -13.8109 -13.8092 -13.8051 -13.8033 -9.0113 -9.0089 -9.0058 -9.0035 -2.5859 -2.5705 -2.5124 -2.4749 -2.1623 -2.1427 -2.1059 -2.0806 -1.9176 -1.8890 -1.8051 -1.7699 -1.5359 -1.4776 -1.4412 -1.4401 -1.3978 -1.3692 -1.3210 -1.3140 -0.4822 -0.4579 -0.3229 -0.3191 1.0594 1.0811 1.4516 1.4846 1.8232 1.8490 2.4864 2.5000 2.5607 2.5617 2.8775 2.8859 2.9487 2.9632 3.6840 3.7051 3.8501 3.8523 4.2057 4.2106 9.2831 9.2866 9.8440 9.8568 10.8328 10.9323 12.2170 12.2707 12.7501 12.7966 k = 0.3800 0.2194-0.0000 ( 4361 PWs) bands (ev): -13.8082 -13.8066 -13.8028 -13.8011 -9.0024 -9.0002 -8.9967 -8.9945 -2.5860 -2.5703 -2.5106 -2.4758 -2.1550 -2.1354 -2.1021 -2.0768 -1.9080 -1.8798 -1.8061 -1.7707 -1.5199 -1.4685 -1.4320 -1.4246 -1.3897 -1.3632 -1.3162 -1.3086 -0.4797 -0.4542 -0.3175 -0.3148 1.0155 1.0366 1.4041 1.4375 1.7840 1.8085 2.4500 2.4629 2.5368 2.5384 2.8576 2.8656 2.9593 2.9730 3.6988 3.7184 3.8462 3.8483 4.2053 4.2099 9.2800 9.2835 9.8790 9.8894 10.8290 10.9273 12.1950 12.2338 12.7513 12.7859 k = 0.3900 0.2252-0.0000 ( 4365 PWs) bands (ev): -13.8058 -13.8043 -13.8006 -13.7991 -8.9943 -8.9921 -8.9879 -8.9858 -2.5861 -2.5705 -2.5088 -2.4769 -2.1484 -2.1288 -2.0991 -2.0742 -1.8988 -1.8710 -1.8072 -1.7721 -1.5040 -1.4592 -1.4227 -1.4097 -1.3815 -1.3575 -1.3122 -1.3036 -0.4757 -0.4492 -0.3125 -0.3109 0.9746 0.9947 1.3583 1.3920 1.7468 1.7700 2.4160 2.4283 2.5147 2.5166 2.8384 2.8458 2.9705 2.9831 3.7135 3.7315 3.8426 3.8445 4.2049 4.2093 9.2737 9.2770 9.9080 9.9164 10.8358 10.9321 12.1648 12.1896 12.7592 12.7829 k = 0.4000 0.2309-0.0000 ( 4363 PWs) bands (ev): -13.8035 -13.8021 -13.7986 -13.7972 -8.9867 -8.9848 -8.9796 -8.9777 -2.5863 -2.5708 -2.5071 -2.4780 -2.1422 -2.1227 -2.0968 -2.0725 -1.8899 -1.8627 -1.8083 -1.7741 -1.4883 -1.4498 -1.4133 -1.3959 -1.3731 -1.3520 -1.3087 -1.2991 -0.4703 -0.4431 -0.3081 -0.3078 0.9370 0.9560 1.3146 1.3481 1.7118 1.7337 2.3847 2.3962 2.4942 2.4962 2.8202 2.8270 2.9814 2.9929 3.7278 3.7443 3.8393 3.8411 4.2046 4.2087 9.2651 9.2683 9.9302 9.9372 10.8530 10.9463 12.1275 12.1400 12.7723 12.7866 k = 0.4100 0.2367-0.0000 ( 4357 PWs) bands (ev): -13.8014 -13.8001 -13.7968 -13.7955 -8.9798 -8.9780 -8.9719 -8.9701 -2.5864 -2.5715 -2.5053 -2.4792 -2.1363 -2.1173 -2.0950 -2.0718 -1.8814 -1.8549 -1.8093 -1.7765 -1.4732 -1.4403 -1.4038 -1.3835 -1.3642 -1.3467 -1.3058 -1.2952 -0.4635 -0.4357 -0.3057 -0.3044 0.9031 0.9206 1.2733 1.3062 1.6793 1.6998 2.3562 2.3669 2.4754 2.4775 2.8034 2.8096 2.9919 3.0022 3.7415 3.7564 3.8363 3.8380 4.2044 4.2081 9.2553 9.2583 9.9459 9.9520 10.8797 10.9692 12.0848 12.0870 12.7892 12.7959 k = 0.4200 0.2425-0.0000 ( 4353 PWs) bands (ev): -13.7994 -13.7983 -13.7951 -13.7939 -8.9735 -8.9719 -8.9649 -8.9633 -2.5864 -2.5723 -2.5036 -2.4804 -2.1309 -2.1125 -2.0937 -2.0720 -1.8733 -1.8477 -1.8104 -1.7793 -1.4588 -1.4312 -1.3945 -1.3729 -1.3548 -1.3418 -1.3036 -1.2919 -0.4554 -0.4272 -0.3048 -0.3018 0.8731 0.8888 1.2347 1.2665 1.6497 1.6687 2.3306 2.3403 2.4584 2.4604 2.7881 2.7936 3.0016 3.0107 3.7545 3.7678 3.8336 3.8351 4.2042 4.2076 9.2449 9.2476 9.9559 9.9614 10.9146 10.9995 12.0319 12.0382 12.8086 12.8094 k = 0.4300 0.2483-0.0000 ( 4355 PWs) bands (ev): -13.7977 -13.7967 -13.7936 -13.7926 -8.9679 -8.9665 -8.9586 -8.9571 -2.5864 -2.5734 -2.5020 -2.4817 -2.1257 -2.1083 -2.0928 -2.0729 -1.8657 -1.8412 -1.8115 -1.7825 -1.4453 -1.4225 -1.3855 -1.3643 -1.3451 -1.3372 -1.3021 -1.2894 -0.4459 -0.4176 -0.3055 -0.3006 0.8472 0.8608 1.1992 1.2294 1.6231 1.6404 2.3079 2.3166 2.4433 2.4452 2.7744 2.7792 3.0104 3.0184 3.7665 3.7782 3.8313 3.8326 4.2040 4.2071 9.2345 9.2370 9.9614 9.9664 10.9558 11.0355 11.9761 11.9892 12.8261 12.8298 k = 0.4400 0.2540-0.0000 ( 4351 PWs) bands (ev): -13.7962 -13.7953 -13.7923 -13.7914 -8.9629 -8.9617 -8.9530 -8.9518 -2.5862 -2.5746 -2.5003 -2.4830 -2.1208 -2.1045 -2.0923 -2.0742 -1.8585 -1.8352 -1.8127 -1.7859 -1.4329 -1.4145 -1.3770 -1.3573 -1.3355 -1.3329 -1.3013 -1.2877 -0.4353 -0.4071 -0.3079 -0.3009 0.8254 0.8369 1.1672 1.1951 1.5999 1.6153 2.2882 2.2959 2.4300 2.4317 2.7624 2.7666 3.0183 3.0252 3.7774 3.7874 3.8292 3.8304 4.2039 4.2066 9.2246 9.2268 9.9636 9.9682 11.0015 11.0752 11.9208 11.9390 12.8450 12.8521 k = 0.4500 0.2598-0.0000 ( 4349 PWs) bands (ev): -13.7949 -13.7941 -13.7911 -13.7904 -8.9587 -8.9577 -8.9482 -8.9472 -2.5860 -2.5759 -2.4987 -2.4842 -2.1161 -2.1012 -2.0922 -2.0761 -1.8517 -1.8299 -1.8140 -1.7894 -1.4218 -1.4073 -1.3693 -1.3517 -1.3291 -1.3263 -1.3013 -1.2867 -0.4237 -0.3960 -0.3121 -0.3028 0.8077 0.8170 1.1393 1.1642 1.5802 1.5934 2.2716 2.2781 2.4187 2.4202 2.7521 2.7557 3.0252 3.0309 3.7870 3.7954 3.8275 3.8286 4.2039 4.2061 9.2157 9.2176 9.9636 9.9678 11.0496 11.1165 11.8672 11.8890 12.8652 12.8746 k = 0.4600 0.2656-0.0000 ( 4350 PWs) bands (ev): -13.7938 -13.7932 -13.7902 -13.7896 -8.9552 -8.9544 -8.9443 -8.9434 -2.5856 -2.5773 -2.4971 -2.4856 -2.1117 -2.0983 -2.0923 -2.0783 -1.8455 -1.8250 -1.8155 -1.7932 -1.4121 -1.4013 -1.3623 -1.3476 -1.3253 -1.3181 -1.3021 -1.2866 -0.4112 -0.3843 -0.3182 -0.3065 0.7939 0.8011 1.1160 1.1372 1.5642 1.5750 2.2581 2.2633 2.4095 2.4107 2.7437 2.7466 3.0310 3.0355 3.7952 3.8019 3.8262 3.8270 4.2039 4.2057 9.2079 9.2095 9.9626 9.9661 11.0981 11.1569 11.8172 11.8406 12.8858 12.8965 k = 0.4700 0.2714-0.0000 ( 4352 PWs) bands (ev): -13.7929 -13.7925 -13.7894 -13.7890 -8.9524 -8.9518 -8.9412 -8.9405 -2.5851 -2.5787 -2.4955 -2.4869 -2.1076 -2.0957 -2.0929 -2.0808 -1.8398 -1.8205 -1.8174 -1.7970 -1.4043 -1.3965 -1.3563 -1.3449 -1.3217 -1.3108 -1.3036 -1.2873 -0.3982 -0.3724 -0.3260 -0.3119 0.7839 0.7890 1.0979 1.1145 1.5520 1.5603 2.2477 2.2517 2.4022 2.4032 2.7372 2.7394 3.0357 3.0391 3.8019 3.8070 3.8251 3.8258 4.2040 4.2054 9.2017 9.2029 9.9611 9.9639 11.1444 11.1931 11.7733 11.7958 12.9058 12.9165 k = 0.4800 0.2771-0.0000 ( 4342 PWs) bands (ev): -13.7923 -13.7920 -13.7888 -13.7885 -8.9504 -8.9499 -8.9389 -8.9384 -2.5843 -2.5800 -2.4940 -2.4882 -2.1037 -2.0939 -2.0933 -2.0834 -1.8345 -1.8196 -1.8163 -1.8009 -1.3980 -1.3931 -1.3513 -1.3435 -1.3181 -1.3057 -1.3043 -1.2887 -0.3849 -0.3606 -0.3354 -0.3190 0.7772 0.7804 1.0854 1.0969 1.5436 1.5492 2.2405 2.2432 2.3971 2.3977 2.7327 2.7341 3.0392 3.0415 3.8070 3.8104 3.8244 3.8248 4.2041 4.2050 9.1972 9.1980 9.9599 9.9618 11.1854 11.2211 11.7390 11.7574 12.9236 12.9327 k = 0.4900 0.2829-0.0000 ( 4348 PWs) bands (ev): -13.7919 -13.7917 -13.7885 -13.7883 -8.9491 -8.9489 -8.9375 -8.9372 -2.5835 -2.5813 -2.4925 -2.4896 -2.1004 -2.0954 -2.0910 -2.0861 -1.8299 -1.8225 -1.8124 -1.8047 -1.3939 -1.3915 -1.3475 -1.3436 -1.3147 -1.3084 -1.2990 -1.2912 -0.3718 -0.3508 -0.3445 -0.3276 0.7736 0.7752 1.0790 1.0849 1.5391 1.5420 2.2364 2.2378 2.3941 2.3944 2.7301 2.7308 3.0416 3.0427 3.8104 3.8121 3.8240 3.8242 4.2043 4.2047 9.1945 9.1949 9.9592 9.9602 11.2171 11.2363 11.7184 11.7290 12.9372 12.9426 k = 0.5000 0.2887-0.0000 ( 4334 PWs) bands (ev): -13.7917 -13.7917 -13.7883 -13.7883 -8.9486 -8.9486 -8.9369 -8.9369 -2.5824 -2.5824 -2.4910 -2.4910 -2.0975 -2.0975 -2.0886 -2.0886 -1.8258 -1.8258 -1.8085 -1.8085 -1.3917 -1.3917 -1.3448 -1.3448 -1.3113 -1.3113 -1.2946 -1.2946 -0.3591 -0.3591 -0.3372 -0.3372 0.7729 0.7729 1.0788 1.0788 1.5386 1.5386 2.2355 2.2355 2.3932 2.3932 2.7294 2.7294 3.0427 3.0427 3.8121 3.8121 3.8240 3.8240 4.2045 4.2045 9.1937 9.1937 9.9593 9.9593 11.2351 11.2351 11.7150 11.7150 12.9442 12.9442 k = 0.5000 0.2887-0.0000 ( 4334 PWs) bands (ev): -13.7917 -13.7917 -13.7883 -13.7883 -8.9486 -8.9486 -8.9369 -8.9369 -2.5824 -2.5824 -2.4910 -2.4910 -2.0975 -2.0975 -2.0886 -2.0886 -1.8258 -1.8258 -1.8085 -1.8085 -1.3917 -1.3917 -1.3448 -1.3448 -1.3113 -1.3113 -1.2946 -1.2946 -0.3591 -0.3591 -0.3372 -0.3372 0.7729 0.7729 1.0788 1.0788 1.5386 1.5386 2.2355 2.2355 2.3932 2.3932 2.7294 2.7294 3.0427 3.0427 3.8121 3.8121 3.8240 3.8240 4.2045 4.2045 9.1937 9.1937 9.9593 9.9593 11.2351 11.2351 11.7150 11.7150 12.9442 12.9442 k = 0.4943 0.2986-0.0000 ( 4348 PWs) bands (ev): -13.7917 -13.7916 -13.7883 -13.7882 -8.9485 -8.9484 -8.9368 -8.9367 -2.5829 -2.5814 -2.4916 -2.4891 -2.0992 -2.0961 -2.0898 -2.0874 -1.8327 -1.8208 -1.8095 -1.8060 -1.3923 -1.3914 -1.3465 -1.3443 -1.3178 -1.3107 -1.2934 -1.2913 -0.3656 -0.3539 -0.3401 -0.3296 0.7724 0.7732 1.0780 1.0793 1.5387 1.5396 2.2346 2.2367 2.3901 2.3939 2.7160 2.7277 3.0418 3.0559 3.8083 3.8149 3.8218 3.8238 4.1995 4.2048 9.1957 9.1967 9.9609 9.9612 11.2387 11.2388 11.7168 11.7180 12.9458 12.9462 k = 0.4885 0.3086-0.0000 ( 4346 PWs) bands (ev): -13.7916 -13.7915 -13.7882 -13.7881 -8.9481 -8.9480 -8.9365 -8.9363 -2.5826 -2.5796 -2.4909 -2.4859 -2.1008 -2.0947 -2.0910 -2.0861 -1.8399 -1.8202 -1.8061 -1.8030 -1.3930 -1.3913 -1.3493 -1.3449 -1.3262 -1.3147 -1.2884 -1.2867 -0.3705 -0.3547 -0.3332 -0.3197 0.7717 0.7733 1.0769 1.0794 1.5399 1.5416 2.2339 2.2382 2.3846 2.3922 2.6904 2.7110 3.0528 3.0784 3.8032 3.8164 3.8172 3.8215 4.1900 4.2006 9.2027 9.2046 9.9661 9.9667 11.2494 11.2497 11.7234 11.7257 12.9510 12.9519 k = 0.4828 0.3185-0.0000 ( 4346 PWs) bands (ev): -13.7915 -13.7913 -13.7880 -13.7879 -8.9475 -8.9473 -8.9359 -8.9357 -2.5817 -2.5771 -2.4889 -2.4814 -2.1025 -2.0934 -2.0921 -2.0849 -1.8473 -1.8226 -1.7999 -1.7999 -1.3940 -1.3914 -1.3534 -1.3480 -1.3337 -1.3198 -1.2831 -1.2824 -0.3736 -0.3573 -0.3210 -0.3080 0.7707 0.7731 1.0754 1.0791 1.5422 1.5447 2.2333 2.2399 2.3769 2.3882 2.6567 2.6825 3.0726 3.1062 3.7968 3.8104 3.8148 3.8189 4.1761 4.1922 9.2146 9.2174 9.9746 9.9755 11.2672 11.2677 11.7346 11.7380 12.9600 12.9613 k = 0.4770 0.3285-0.0000 ( 4342 PWs) bands (ev): -13.7913 -13.7911 -13.7878 -13.7876 -8.9466 -8.9463 -8.9350 -8.9348 -2.5801 -2.5739 -2.4856 -2.4756 -2.1041 -2.0931 -2.0922 -2.0836 -1.8548 -1.8260 -1.7968 -1.7927 -1.3952 -1.3918 -1.3589 -1.3556 -1.3381 -1.3247 -1.2787 -1.2785 -0.3747 -0.3589 -0.3063 -0.2947 0.7695 0.7727 1.0736 1.0785 1.5454 1.5488 2.2325 2.2416 2.3673 2.3820 2.6181 2.6461 3.0973 3.1364 3.7887 3.8017 3.8087 3.8173 4.1583 4.1801 9.2314 9.2350 9.9862 9.9875 11.2921 11.2928 11.7500 11.7545 12.9728 12.9746 k = 0.4713 0.3384-0.0000 ( 4346 PWs) bands (ev): -13.7910 -13.7908 -13.7875 -13.7873 -8.9454 -8.9451 -8.9340 -8.9337 -2.5779 -2.5700 -2.4809 -2.4685 -2.1059 -2.0941 -2.0912 -2.0823 -1.8624 -1.8298 -1.7937 -1.7855 -1.3967 -1.3925 -1.3663 -1.3659 -1.3402 -1.3292 -1.2758 -1.2749 -0.3738 -0.3591 -0.2898 -0.2799 0.7681 0.7721 1.0713 1.0774 1.5496 1.5537 2.2310 2.2432 2.3560 2.3739 2.5770 2.6052 3.1238 3.1669 3.7782 3.7915 3.8005 3.8143 4.1372 4.1649 9.2528 9.2572 10.0006 10.0023 11.3240 11.3249 11.7693 11.7748 12.9894 12.9921 k = 0.4655 0.3484-0.0000 ( 4350 PWs) bands (ev): -13.7907 -13.7905 -13.7872 -13.7869 -8.9440 -8.9436 -8.9327 -8.9323 -2.5751 -2.5656 -2.4751 -2.4603 -2.1077 -2.0951 -2.0903 -2.0810 -1.8701 -1.8340 -1.7904 -1.7781 -1.3984 -1.3937 -1.3783 -1.3737 -1.3417 -1.3332 -1.2737 -1.2724 -0.3711 -0.3578 -0.2717 -0.2638 0.7666 0.7714 1.0686 1.0759 1.5544 1.5594 2.2280 2.2439 2.3434 2.3641 2.5356 2.5619 3.1501 3.1961 3.7649 3.7803 3.7911 3.8085 4.1139 4.1476 9.2787 9.2840 10.0175 10.0194 11.3628 11.3638 11.7919 11.7984 13.0102 13.0137 k = 0.4598 0.3584-0.0000 ( 4352 PWs) bands (ev): -13.7904 -13.7901 -13.7867 -13.7865 -8.9423 -8.9420 -8.9312 -8.9308 -2.5718 -2.5606 -2.4681 -2.4509 -2.1094 -2.0961 -2.0895 -2.0798 -1.8778 -1.8384 -1.7871 -1.7707 -1.4003 -1.3959 -1.3908 -1.3815 -1.3430 -1.3370 -1.2724 -1.2708 -0.3666 -0.3551 -0.2522 -0.2464 0.7649 0.7705 1.0654 1.0738 1.5599 1.5656 2.2225 2.2431 2.3301 2.3531 2.4958 2.5183 3.1747 3.2229 3.7482 3.7686 3.7812 3.7989 4.0895 4.1290 9.3089 9.3149 10.0363 10.0386 11.4081 11.4094 11.8173 11.8247 13.0352 13.0399 k = 0.4540 0.3683-0.0000 ( 4356 PWs) bands (ev): -13.7900 -13.7897 -13.7863 -13.7860 -8.9405 -8.9400 -8.9295 -8.9290 -2.5680 -2.5551 -2.4599 -2.4403 -2.1112 -2.0970 -2.0890 -2.0786 -1.8856 -1.8432 -1.7838 -1.7634 -1.4035 -1.4025 -1.4005 -1.3875 -1.3444 -1.3407 -1.2720 -1.2701 -0.3605 -0.3510 -0.2315 -0.2278 0.7632 0.7696 1.0616 1.0711 1.5657 1.5721 2.2127 2.2393 2.3164 2.3414 2.4598 2.4766 3.1964 3.2463 3.7273 3.7573 3.7714 3.7842 4.0657 4.1102 9.3432 9.3500 10.0566 10.0592 11.4598 11.4614 11.8447 11.8530 13.0646 13.0709 k = 0.4483 0.3783-0.0000 ( 4358 PWs) bands (ev): -13.7896 -13.7892 -13.7858 -13.7854 -8.9384 -8.9379 -8.9276 -8.9271 -2.5636 -2.5490 -2.4505 -2.4287 -2.1129 -2.0980 -2.0885 -2.0774 -1.8935 -1.8484 -1.7804 -1.7560 -1.4160 -1.4082 -1.4047 -1.3908 -1.3459 -1.3445 -1.2723 -1.2703 -0.3530 -0.3455 -0.2097 -0.2082 0.7616 0.7687 1.0571 1.0677 1.5716 1.5787 2.1967 2.2305 2.3026 2.3295 2.4301 2.4396 3.2145 3.2655 3.7016 3.7473 3.7601 3.7657 4.0440 4.0920 9.3812 9.3887 10.0779 10.0808 11.5175 11.5194 11.8734 11.8825 13.0985 13.1068 k = 0.4425 0.3882-0.0000 ( 4358 PWs) bands (ev): -13.7891 -13.7887 -13.7852 -13.7848 -8.9361 -8.9356 -8.9256 -8.9250 -2.5589 -2.5426 -2.4401 -2.4159 -2.1147 -2.0990 -2.0882 -2.0763 -1.9014 -1.8540 -1.7769 -1.7488 -1.4282 -1.4174 -1.4071 -1.3929 -1.3484 -1.3474 -1.2733 -1.2711 -0.3443 -0.3389 -0.1876 -0.1872 0.7599 0.7679 1.0520 1.0636 1.5773 1.5852 2.1730 2.2146 2.2885 2.3177 2.4086 2.4109 3.2281 3.2794 3.6704 3.7332 3.7396 3.7571 4.0258 4.0754 9.4228 9.4309 10.0997 10.1030 11.5808 11.5833 11.9027 11.9125 13.1367 13.1479 k = 0.4368 0.3982-0.0000 ( 4356 PWs) bands (ev): -13.7886 -13.7882 -13.7846 -13.7842 -8.9337 -8.9332 -8.9234 -8.9228 -2.5537 -2.5358 -2.4287 -2.4022 -2.1164 -2.1000 -2.0879 -2.0753 -1.9096 -1.8600 -1.7733 -1.7416 -1.4398 -1.4270 -1.4096 -1.3946 -1.3523 -1.3491 -1.2750 -1.2726 -0.3344 -0.3312 -0.1663 -0.1639 0.7585 0.7672 1.0461 1.0585 1.5826 1.5912 2.1419 2.1901 2.2739 2.3066 2.3930 2.3957 3.2368 3.2876 3.6336 3.6970 3.7352 3.7527 4.0115 4.0608 9.4676 9.4763 10.1216 10.1252 11.6492 11.6524 11.9317 11.9424 13.1789 13.1940 k = 0.4310 0.4081-0.0000 ( 4362 PWs) bands (ev): -13.7880 -13.7876 -13.7839 -13.7835 -8.9311 -8.9305 -8.9211 -8.9205 -2.5482 -2.5288 -2.4164 -2.3876 -2.1182 -2.1012 -2.0877 -2.0744 -1.9178 -1.8666 -1.7697 -1.7348 -1.4508 -1.4365 -1.4120 -1.3964 -1.3564 -1.3508 -1.2773 -1.2746 -0.3237 -0.3226 -0.1443 -0.1403 0.7571 0.7666 1.0393 1.0524 1.5870 1.5964 2.1050 2.1574 2.2600 2.2964 2.3853 2.3902 3.2402 3.2896 3.5914 3.6536 3.7345 3.7513 4.0008 4.0483 9.5152 9.5244 10.1432 10.1471 11.7218 11.7263 11.9597 11.9717 13.2242 13.2452 k = 0.4253 0.4181-0.0000 ( 4366 PWs) bands (ev): -13.7874 -13.7871 -13.7832 -13.7829 -8.9284 -8.9278 -8.9187 -8.9181 -2.5424 -2.5216 -2.4033 -2.3721 -2.1200 -2.1025 -2.0875 -2.0736 -1.9262 -1.8736 -1.7660 -1.7281 -1.4609 -1.4458 -1.4144 -1.3983 -1.3604 -1.3527 -1.2801 -1.2771 -0.3132 -0.3124 -0.1219 -0.1163 0.7561 0.7663 1.0316 1.0452 1.5902 1.6005 2.0645 2.1187 2.2484 2.2878 2.3851 2.3905 3.2386 3.2856 3.5441 3.6041 3.7379 3.7533 3.9932 4.0379 9.5653 9.5750 10.1640 10.1681 11.7975 11.8043 11.9863 12.0004 13.2704 13.3008 k = 0.4195 0.4280-0.0000 ( 4346 PWs) bands (ev): -13.7868 -13.7864 -13.7825 -13.7822 -8.9256 -8.9250 -8.9162 -8.9156 -2.5363 -2.5143 -2.3894 -2.3558 -2.1217 -2.1039 -2.0872 -2.0729 -1.9346 -1.8811 -1.7623 -1.7217 -1.4698 -1.4544 -1.4166 -1.4004 -1.3641 -1.3547 -1.2831 -1.2797 -0.3030 -0.3004 -0.0991 -0.0923 0.7554 0.7663 1.0229 1.0369 1.5921 1.6032 2.0221 2.0765 2.2399 2.2814 2.3897 2.3949 3.2322 3.2763 3.4925 3.5496 3.7450 3.7583 3.9878 4.0292 9.6175 9.6276 10.1837 10.1881 11.8738 11.8850 12.0113 12.0296 13.3123 13.3594 k = 0.4138 0.4380-0.0000 ( 4360 PWs) bands (ev): -13.7862 -13.7858 -13.7818 -13.7815 -8.9227 -8.9221 -8.9137 -8.9131 -2.5302 -2.5071 -2.3749 -2.3390 -2.1235 -2.1056 -2.0869 -2.0725 -1.9434 -1.8893 -1.7586 -1.7159 -1.4777 -1.4627 -1.4186 -1.4030 -1.3678 -1.3570 -1.2867 -1.2827 -0.2924 -0.2882 -0.0762 -0.0684 0.7552 0.7667 1.0131 1.0271 1.5922 1.6043 1.9793 2.0328 2.2349 2.2777 2.3975 2.4022 3.2217 3.2624 3.4370 3.4913 3.7552 3.7661 3.9839 4.0219 9.6713 9.6817 10.2021 10.2067 11.9445 11.9643 12.0376 12.0642 13.3358 13.4148 k = 0.4080 0.4479-0.0000 ( 4372 PWs) bands (ev): -13.7855 -13.7852 -13.7811 -13.7808 -8.9198 -8.9192 -8.9112 -8.9105 -2.5240 -2.5000 -2.3599 -2.3215 -2.1254 -2.1075 -2.0865 -2.0722 -1.9524 -1.8981 -1.7550 -1.7106 -1.4842 -1.4702 -1.4203 -1.4060 -1.3711 -1.3594 -1.2906 -1.2859 -0.2814 -0.2758 -0.0534 -0.0449 0.7554 0.7676 1.0021 1.0160 1.5906 1.6035 1.9371 1.9890 2.2339 2.2773 2.4074 2.4117 3.2079 3.2450 3.3786 3.4300 3.7679 3.7763 3.9810 4.0158 9.7263 9.7370 10.2188 10.2237 11.9966 12.0214 12.0846 12.1161 13.3173 13.4535 k = 0.4023 0.4579-0.0000 ( 4350 PWs) bands (ev): -13.7849 -13.7845 -13.7804 -13.7801 -8.9168 -8.9163 -8.9087 -8.9080 -2.5175 -2.4930 -2.3443 -2.3035 -2.1272 -2.1094 -2.0858 -2.0719 -1.9614 -1.9072 -1.7511 -1.7059 -1.4889 -1.4768 -1.4214 -1.4094 -1.3737 -1.3620 -1.2945 -1.2890 -0.2700 -0.2632 -0.0308 -0.0219 0.7562 0.7689 0.9901 1.0035 1.5873 1.6011 1.8961 1.9459 2.2369 2.2804 2.4190 2.4231 3.1918 3.2252 3.3177 3.3664 3.7824 3.7883 3.9786 4.0104 9.7821 9.7929 10.2338 10.2388 12.0246 12.0428 12.1645 12.1896 13.2617 13.3991 k = 0.3966 0.4679-0.0000 ( 4350 PWs) bands (ev): -13.7842 -13.7839 -13.7797 -13.7794 -8.9139 -8.9134 -8.9062 -8.9056 -2.5113 -2.4865 -2.3285 -2.2853 -2.1291 -2.1116 -2.0851 -2.0718 -1.9707 -1.9170 -1.7474 -1.7021 -1.4921 -1.4828 -1.4222 -1.4132 -1.3760 -1.3648 -1.2987 -1.2922 -0.2585 -0.2509 -0.0088 0.0003 0.7575 0.7707 0.9769 0.9896 1.5824 1.5969 1.8568 1.9040 2.2440 2.2872 2.4319 2.4358 3.1740 3.2040 3.2549 3.3013 3.7980 3.8014 3.9765 4.0056 9.8380 9.8489 10.2468 10.2520 12.0372 12.0512 12.2532 12.2747 13.1954 13.3174 k = 0.3908 0.4778-0.0000 ( 4358 PWs) bands (ev): -13.7836 -13.7833 -13.7790 -13.7787 -8.9110 -8.9105 -8.9038 -8.9032 -2.5051 -2.4804 -2.3126 -2.2669 -2.1311 -2.1139 -2.0842 -2.0720 -1.9802 -1.9273 -1.7438 -1.6993 -1.4938 -1.4879 -1.4223 -1.4175 -1.3778 -1.3679 -1.3030 -1.2955 -0.2471 -0.2388 0.0125 0.0216 0.7595 0.7731 0.9627 0.9743 1.5765 1.5914 1.8197 1.8639 2.2552 2.2976 2.4457 2.4497 3.1555 3.1820 3.1911 3.2353 3.8141 3.8153 3.9744 4.0010 9.8934 9.9044 10.2578 10.2631 12.0404 12.0522 12.3437 12.3646 13.1316 13.2446 k = 0.3851 0.4878-0.0000 ( 4350 PWs) bands (ev): -13.7830 -13.7827 -13.7784 -13.7781 -8.9082 -8.9077 -8.9015 -8.9009 -2.4990 -2.4748 -2.2967 -2.2484 -2.1329 -2.1162 -2.0830 -2.0723 -1.9897 -1.9380 -1.7401 -1.6972 -1.4938 -1.4921 -1.4219 -1.4216 -1.3792 -1.3712 -1.3072 -1.2987 -0.2358 -0.2271 0.0328 0.0416 0.7622 0.7759 0.9476 0.9577 1.5699 1.5849 1.7851 1.8257 2.2703 2.3117 2.4604 2.4646 3.1259 3.1362 3.1607 3.1693 3.8295 3.8304 3.9721 3.9966 9.9478 9.9587 10.2668 10.2722 12.0365 12.0469 12.4338 12.4560 13.0755 13.1818 k = 0.3793 0.4977-0.0000 ( 4354 PWs) bands (ev): -13.7824 -13.7822 -13.7777 -13.7775 -8.9055 -8.9051 -8.8993 -8.8988 -2.4931 -2.4700 -2.2810 -2.2302 -2.1347 -2.1185 -2.0816 -2.0727 -1.9995 -1.9492 -1.7366 -1.6961 -1.4955 -1.4925 -1.4266 -1.4203 -1.3803 -1.3747 -1.3116 -1.3018 -0.2248 -0.2160 0.0519 0.0602 0.7655 0.7793 0.9317 0.9402 1.5632 1.5780 1.7530 1.7898 2.2889 2.3292 2.4757 2.4803 3.0608 3.0987 3.1220 3.1397 3.8437 3.8464 3.9696 3.9922 10.0005 10.0112 10.2737 10.2791 12.0266 12.0358 12.5218 12.5471 13.0294 13.1294 k = 0.3736 0.5077-0.0000 ( 4348 PWs) bands (ev): -13.7819 -13.7817 -13.7771 -13.7769 -8.9030 -8.9026 -8.8973 -8.8969 -2.4875 -2.4658 -2.2656 -2.2123 -2.1363 -2.1207 -2.0800 -2.0731 -2.0092 -1.9607 -1.7331 -1.6958 -1.4980 -1.4897 -1.4312 -1.4182 -1.3811 -1.3785 -1.3158 -1.3048 -0.2142 -0.2056 0.0697 0.0773 0.7694 0.7831 0.9154 0.9220 1.5571 1.5712 1.7237 1.7562 2.3109 2.3497 2.4915 2.4968 2.9958 3.0335 3.1038 3.1200 3.8576 3.8621 3.9668 3.9876 10.0507 10.0611 10.2786 10.2841 12.0120 12.0198 12.6059 12.6364 12.9946 13.0877 k = 0.3678 0.5176-0.0000 ( 4352 PWs) bands (ev): -13.7814 -13.7812 -13.7766 -13.7764 -8.9006 -8.9003 -8.8955 -8.8951 -2.4823 -2.4624 -2.2510 -2.1954 -2.1376 -2.1227 -2.0780 -2.0737 -2.0190 -1.9725 -1.7297 -1.6963 -1.4997 -1.4859 -1.4359 -1.4154 -1.3824 -1.3819 -1.3201 -1.3077 -0.2044 -0.1961 0.0857 0.0925 0.7739 0.7872 0.8990 0.9034 1.5522 1.5650 1.6972 1.7250 2.3358 2.3730 2.5077 2.5138 2.9314 2.9678 3.0884 3.1021 3.8709 3.8770 3.9636 3.9828 10.0976 10.1076 10.2817 10.2871 11.9938 12.0001 12.6836 12.7225 12.9719 13.0565 k = 0.3621 0.5276-0.0000 ( 4352 PWs) bands (ev): -13.7809 -13.7808 -13.7761 -13.7760 -8.8985 -8.8983 -8.8939 -8.8936 -2.4774 -2.4599 -2.2375 -2.1797 -2.1383 -2.1245 -2.0754 -2.0741 -2.0286 -1.9845 -1.7264 -1.6975 -1.5006 -1.4813 -1.4405 -1.4119 -1.3864 -1.3826 -1.3242 -1.3102 -0.1953 -0.1877 0.0999 0.1058 0.7789 0.7917 0.8827 0.8851 1.5490 1.5601 1.6735 1.6965 2.3632 2.3987 2.5242 2.5314 2.8680 2.9030 3.0750 3.0861 3.8835 3.8911 3.9600 3.9776 10.1403 10.1498 10.2829 10.2882 11.9739 11.9786 12.7513 12.8033 12.9623 13.0352 k = 0.3563 0.5375-0.0000 ( 4354 PWs) bands (ev): -13.7806 -13.7804 -13.7757 -13.7756 -8.8966 -8.8965 -8.8926 -8.8923 -2.4730 -2.4582 -2.2257 -2.1658 -2.1382 -2.1259 -2.0745 -2.0721 -2.0378 -1.9965 -1.7231 -1.6992 -1.5009 -1.4762 -1.4449 -1.4080 -1.3902 -1.3834 -1.3281 -1.3124 -0.1872 -0.1805 0.1120 0.1168 0.7843 0.7965 0.8670 0.8673 1.5480 1.5568 1.6527 1.6707 2.3928 2.4261 2.5408 2.5495 2.8062 2.8397 3.0639 3.0726 3.8951 3.9042 3.9560 3.9722 10.1780 10.1869 10.2824 10.2876 11.9540 11.9572 12.8044 12.8763 12.9667 13.0235 k = 0.3506 0.5475-0.0000 ( 4358 PWs) bands (ev): -13.7802 -13.7801 -13.7754 -13.7753 -8.8951 -8.8951 -8.8915 -8.8913 -2.4690 -2.4575 -2.2162 -2.1548 -2.1370 -2.1267 -2.0745 -2.0680 -2.0462 -2.0084 -1.7199 -1.7015 -1.5007 -1.4709 -1.4492 -1.4041 -1.3934 -1.3843 -1.3317 -1.3143 -0.1804 -0.1749 0.1218 0.1255 0.7901 0.8016 0.8509 0.8524 1.5494 1.5555 1.6349 1.6479 2.4241 2.4545 2.5573 2.5678 2.7469 2.7787 3.0553 3.0616 3.9055 3.9162 3.9516 3.9664 10.2098 10.2180 10.2805 10.2854 11.9359 11.9378 12.8401 12.9370 12.9830 13.0218 k = 0.3448 0.5574-0.0000 ( 4358 PWs) bands (ev): -13.7800 -13.7799 -13.7751 -13.7751 -8.8940 -8.8939 -8.8907 -8.8906 -2.4656 -2.4576 -2.2093 -2.1474 -2.1345 -2.1268 -2.0739 -2.0639 -2.0522 -2.0200 -1.7167 -1.7041 -1.5001 -1.4658 -1.4530 -1.4021 -1.3942 -1.3855 -1.3348 -1.3156 -0.1749 -0.1709 0.1293 0.1318 0.7961 0.8071 0.8366 0.8394 1.5531 1.5561 1.6206 1.6285 2.4564 2.4826 2.5731 2.5859 2.6919 2.7211 3.0493 3.0533 3.9145 3.9269 3.9470 3.9602 10.2349 10.2425 10.2773 10.2817 11.9215 11.9224 12.8621 12.9784 13.0018 13.0318 k = 0.3391 0.5674-0.0000 ( 4360 PWs) bands (ev): -13.7798 -13.7798 -13.7750 -13.7749 -8.8934 -8.8932 -8.8902 -8.8902 -2.4626 -2.4585 -2.2054 -2.1440 -2.1313 -2.1269 -2.0722 -2.0649 -2.0500 -2.0312 -1.7134 -1.7070 -1.4996 -1.4615 -1.4562 -1.4028 -1.3918 -1.3871 -1.3371 -1.3164 -0.1711 -0.1689 0.1341 0.1353 0.8017 0.8131 0.8254 0.8284 1.5578 1.5579 1.6109 1.6139 2.4876 2.5059 2.5865 2.6013 2.6480 2.6706 3.0461 3.0480 3.9213 3.9359 3.9428 3.9541 10.2521 10.2597 10.2736 10.2767 11.9122 11.9125 12.8757 12.9995 13.0121 13.0480 k = 0.3333 0.5774-0.0000 ( 4356 PWs) bands (ev): -13.7798 -13.7798 -13.7749 -13.7749 -8.8931 -8.8930 -8.8900 -8.8900 -2.4602 -2.4602 -2.2042 -2.1431 -2.1282 -2.1282 -2.0691 -2.0691 -2.0415 -2.0415 -1.7102 -1.7102 -1.4992 -1.4587 -1.4587 -1.4035 -1.3890 -1.3890 -1.3379 -1.3167 -0.1690 -0.1690 0.1361 0.1361 0.8046 0.8194 0.8204 0.8204 1.5588 1.5605 1.6076 1.6076 2.5106 2.5106 2.5917 2.6029 2.6403 2.6403 3.0456 3.0456 3.9242 3.9408 3.9408 3.9502 10.2586 10.2680 10.2721 10.2721 11.9089 11.9089 12.8814 13.0104 13.0104 13.0542 k = 0.3333 0.5774-0.0000 ( 4356 PWs) bands (ev): -13.7798 -13.7798 -13.7749 -13.7749 -8.8931 -8.8930 -8.8900 -8.8900 -2.4602 -2.4602 -2.2042 -2.1431 -2.1282 -2.1282 -2.0691 -2.0691 -2.0415 -2.0415 -1.7102 -1.7102 -1.4992 -1.4587 -1.4587 -1.4035 -1.3890 -1.3890 -1.3379 -1.3167 -0.1690 -0.1690 0.1361 0.1361 0.8046 0.8194 0.8204 0.8204 1.5588 1.5605 1.6076 1.6076 2.5106 2.5106 2.5917 2.6029 2.6403 2.6403 3.0456 3.0456 3.9242 3.9408 3.9408 3.9502 10.2586 10.2680 10.2721 10.2721 11.9089 11.9089 12.8814 13.0104 13.0104 13.0542 k = 0.3276 0.5674-0.0000 ( 4362 PWs) bands (ev): -13.7798 -13.7798 -13.7750 -13.7749 -8.8934 -8.8932 -8.8902 -8.8902 -2.4627 -2.4584 -2.2053 -2.1437 -2.1320 -2.1266 -2.0725 -2.0646 -2.0502 -2.0311 -1.7135 -1.7069 -1.4997 -1.4600 -1.4579 -1.4027 -1.3915 -1.3878 -1.3369 -1.3164 -0.1713 -0.1688 0.1340 0.1353 0.8027 0.8143 0.8244 0.8276 1.5575 1.5576 1.6123 1.6130 2.4832 2.5026 2.5996 2.6131 2.6419 2.6596 3.0461 3.0479 3.9216 3.9364 3.9423 3.9537 10.2546 10.2623 10.2725 10.2730 11.9124 11.9124 12.8726 13.0044 13.0047 13.0551 k = 0.3218 0.5574-0.0000 ( 4368 PWs) bands (ev): -13.7800 -13.7799 -13.7752 -13.7751 -8.8941 -8.8940 -8.8908 -8.8907 -2.4659 -2.4572 -2.2080 -2.1450 -2.1378 -2.1272 -2.0747 -2.0633 -2.0524 -2.0201 -1.7170 -1.7037 -1.5013 -1.4599 -1.4592 -1.4004 -1.3942 -1.3880 -1.3340 -1.3157 -0.1759 -0.1706 0.1290 0.1316 0.8012 0.8121 0.8327 0.8366 1.5510 1.5548 1.6245 1.6280 2.4412 2.4656 2.6279 2.6346 2.6558 2.6860 3.0496 3.0529 3.9158 3.9289 3.9451 3.9585 10.2469 10.2539 10.2685 10.2686 11.9227 11.9231 12.8416 12.9694 13.0060 13.0672 k = 0.3161 0.5475-0.0000 ( 4368 PWs) bands (ev): -13.7803 -13.7802 -13.7755 -13.7753 -8.8953 -8.8953 -8.8918 -8.8915 -2.4696 -2.4566 -2.2121 -2.1473 -2.1446 -2.1300 -2.0762 -2.0685 -2.0451 -2.0091 -1.7204 -1.7004 -1.5040 -1.4625 -1.4586 -1.3984 -1.3973 -1.3880 -1.3294 -1.3146 -0.1829 -0.1745 0.1210 0.1250 0.8028 0.8134 0.8431 0.8470 1.5446 1.5521 1.6423 1.6488 2.3969 2.4217 2.6570 2.6618 2.6747 2.7175 3.0560 3.0606 3.9088 3.9206 3.9472 3.9621 10.2374 10.2444 10.2578 10.2591 11.9396 11.9405 12.7907 12.9147 13.0172 13.0860 k = 0.3103 0.5375-0.0000 ( 4368 PWs) bands (ev): -13.7807 -13.7806 -13.7759 -13.7757 -8.8972 -8.8970 -8.8933 -8.8929 -2.4738 -2.4564 -2.2172 -2.1544 -2.1481 -2.1347 -2.0772 -2.0737 -2.0353 -1.9983 -1.7239 -1.6971 -1.5078 -1.4672 -1.4562 -1.4004 -1.4002 -1.3848 -1.3237 -1.3131 -0.1922 -0.1804 0.1102 0.1155 0.8083 0.8184 0.8552 0.8593 1.5399 1.5507 1.6645 1.6738 2.3537 2.3780 2.6781 2.6851 2.7079 2.7528 3.0650 3.0707 3.9009 3.9117 3.9480 3.9643 10.2261 10.2340 10.2417 10.2449 11.9625 11.9641 12.7273 12.8491 13.0340 13.1075 k = 0.3046 0.5276-0.0000 ( 4362 PWs) bands (ev): -13.7813 -13.7810 -13.7764 -13.7762 -8.8995 -8.8992 -8.8952 -8.8947 -2.4783 -2.4568 -2.2233 -2.1634 -2.1506 -2.1407 -2.0779 -2.0779 -2.0246 -1.9882 -1.7273 -1.6938 -1.5125 -1.4728 -1.4533 -1.4049 -1.4035 -1.3790 -1.3176 -1.3114 -0.2036 -0.1882 0.0967 0.1033 0.8178 0.8272 0.8693 0.8736 1.5374 1.5511 1.6903 1.7020 2.3129 2.3362 2.6980 2.7032 2.7484 2.7909 3.0766 3.0833 3.8926 3.9024 3.9475 3.9650 10.2117 10.2205 10.2232 10.2280 11.9905 11.9930 12.6567 12.7771 13.0529 13.1300 k = 0.2989 0.5176-0.0000 ( 4366 PWs) bands (ev): -13.7820 -13.7817 -13.7771 -13.7768 -8.9024 -8.9019 -8.8977 -8.8971 -2.4833 -2.4579 -2.2302 -2.1729 -2.1533 -2.1476 -2.0813 -2.0787 -2.0138 -1.9788 -1.7306 -1.6906 -1.5178 -1.4792 -1.4506 -1.4111 -1.4062 -1.3723 -1.3114 -1.3097 -0.2170 -0.1978 0.0807 0.0886 0.8313 0.8398 0.8855 0.8902 1.5374 1.5536 1.7192 1.7329 2.2751 2.2972 2.7171 2.7209 2.7904 2.8308 3.0906 3.0979 3.8838 3.8927 3.9454 3.9641 10.1920 10.1967 10.2104 10.2118 12.0227 12.0261 12.5820 12.7014 13.0716 13.1523 k = 0.2931 0.5077-0.0000 ( 4366 PWs) bands (ev): -13.7828 -13.7824 -13.7779 -13.7776 -8.9057 -8.9052 -8.9008 -8.9000 -2.4885 -2.4594 -2.2380 -2.1827 -2.1563 -2.1549 -2.0839 -2.0795 -2.0031 -1.9703 -1.7337 -1.6875 -1.5236 -1.4859 -1.4487 -1.4182 -1.4079 -1.3655 -1.3080 -1.3055 -0.2321 -0.2090 0.0624 0.0715 0.8485 0.8560 0.9039 0.9091 1.5402 1.5583 1.7507 1.7661 2.2405 2.2615 2.7356 2.7387 2.8334 2.8719 3.1067 3.1146 3.8746 3.8827 3.9418 3.9617 10.1672 10.1699 10.1967 10.1969 12.0580 12.0624 12.5056 12.6237 13.0886 13.1732 k = 0.2874 0.4977-0.0000 ( 4352 PWs) bands (ev): -13.7837 -13.7833 -13.7789 -13.7784 -8.9096 -8.9089 -8.9044 -8.9034 -2.4939 -2.4614 -2.2463 -2.1924 -2.1623 -2.1596 -2.0859 -2.0803 -1.9926 -1.9626 -1.7366 -1.6845 -1.5298 -1.4930 -1.4481 -1.4258 -1.4082 -1.3586 -1.3063 -1.2999 -0.2486 -0.2216 0.0423 0.0524 0.8694 0.8757 0.9246 0.9305 1.5458 1.5656 1.7846 1.8011 2.2094 2.2292 2.7539 2.7565 2.8769 2.9138 3.1247 3.1329 3.8651 3.8723 3.9367 3.9578 10.1394 10.1414 10.1815 10.1822 12.0953 12.1005 12.4292 12.5455 13.1023 13.1916 k = 0.2816 0.4878-0.0000 ( 4340 PWs) bands (ev): -13.7848 -13.7843 -13.7799 -13.7794 -8.9140 -8.9132 -8.9086 -8.9075 -2.4993 -2.4638 -2.2553 -2.2022 -2.1694 -2.1633 -2.0876 -2.0813 -1.9827 -1.9559 -1.7393 -1.6817 -1.5362 -1.5004 -1.4494 -1.4340 -1.4068 -1.3522 -1.3049 -1.2949 -0.2661 -0.2353 0.0206 0.0316 0.8936 0.8987 0.9478 0.9545 1.5543 1.5754 1.8203 1.8376 2.1820 2.2007 2.7720 2.7746 2.9208 2.9564 3.1445 3.1529 3.8553 3.8617 3.9301 3.9524 10.1099 10.1118 10.1652 10.1660 12.1337 12.1380 12.3553 12.4678 13.1116 13.2064 k = 0.2759 0.4778-0.0000 ( 4340 PWs) bands (ev): -13.7861 -13.7855 -13.7812 -13.7805 -8.9189 -8.9179 -8.9134 -8.9121 -2.5049 -2.4666 -2.2650 -2.2119 -2.1764 -2.1674 -2.0890 -2.0825 -1.9736 -1.9503 -1.7418 -1.6792 -1.5429 -1.5079 -1.4524 -1.4425 -1.4042 -1.3466 -1.3040 -1.2908 -0.2843 -0.2498 -0.0024 0.0093 0.9208 0.9246 0.9735 0.9810 1.5658 1.5878 1.8577 1.8752 2.1584 2.1763 2.7901 2.7928 2.9650 2.9993 3.1657 3.1742 3.8454 3.8509 3.9221 3.9455 10.0798 10.0818 10.1474 10.1481 12.1681 12.1720 12.2910 12.3915 13.1159 13.2170 k = 0.2701 0.4679-0.0000 ( 4336 PWs) bands (ev): -13.7875 -13.7868 -13.7825 -13.7818 -8.9243 -8.9232 -8.9187 -8.9173 -2.5104 -2.4698 -2.2750 -2.2216 -2.1831 -2.1719 -2.0903 -2.0839 -1.9653 -1.9456 -1.7440 -1.6770 -1.5497 -1.5156 -1.4564 -1.4512 -1.4007 -1.3415 -1.3033 -1.2873 -0.3029 -0.2648 -0.0263 -0.0141 0.9507 0.9532 1.0017 1.0100 1.5803 1.6028 1.8961 1.9131 2.1389 2.1563 2.8081 2.8112 3.0094 3.0425 3.1881 3.1966 3.8352 3.8398 3.9127 3.9372 10.0495 10.0520 10.1277 10.1281 12.1605 12.2092 12.2664 12.3176 13.1152 13.2234 k = 0.2644 0.4579-0.0000 ( 4340 PWs) bands (ev): -13.7890 -13.7882 -13.7840 -13.7832 -8.9302 -8.9290 -8.9247 -8.9232 -2.5158 -2.4735 -2.2855 -2.2313 -2.1896 -2.1768 -2.0915 -2.0856 -1.9579 -1.9419 -1.7458 -1.6752 -1.5566 -1.5234 -1.4613 -1.4602 -1.3971 -1.3374 -1.3032 -1.2846 -0.3215 -0.2801 -0.0509 -0.0383 0.9831 0.9843 1.0324 1.0415 1.5978 1.6206 1.9353 1.9506 2.1237 2.1416 2.8261 2.8297 3.0538 3.0859 3.2116 3.2200 3.8248 3.8286 3.9021 3.9277 10.0196 10.0226 10.1056 10.1057 12.1070 12.2433 12.2477 12.2896 13.1101 13.2262 k = 0.2586 0.4479-0.0000 ( 4342 PWs) bands (ev): -13.7907 -13.7898 -13.7857 -13.7848 -8.9366 -8.9352 -8.9313 -8.9296 -2.5212 -2.4774 -2.2963 -2.2408 -2.1959 -2.1821 -2.0926 -2.0875 -1.9515 -1.9392 -1.7473 -1.6740 -1.5634 -1.5314 -1.4691 -1.4665 -1.3937 -1.3345 -1.3036 -1.2828 -0.3399 -0.2954 -0.0757 -0.0630 1.0175 1.0175 1.0656 1.0754 1.6183 1.6411 1.9744 1.9863 2.1133 2.1332 2.8441 2.8484 3.0982 3.1293 3.2359 3.2442 3.8145 3.8173 3.8903 3.9171 9.9904 9.9941 10.0804 10.0808 12.0447 12.1797 12.2762 12.3234 13.1019 13.2266 k = 0.2529 0.4380-0.0000 ( 4342 PWs) bands (ev): -13.7926 -13.7916 -13.7875 -13.7864 -8.9434 -8.9420 -8.9384 -8.9367 -2.5264 -2.4816 -2.3073 -2.2503 -2.2019 -2.1877 -2.0938 -2.0897 -1.9462 -1.9374 -1.7484 -1.6734 -1.5701 -1.5394 -1.4778 -1.4719 -1.3908 -1.3326 -1.3044 -1.2817 -0.3577 -0.3104 -0.1005 -0.0878 1.0525 1.0538 1.1011 1.1117 1.6417 1.6643 2.0122 2.0176 2.1088 2.1337 2.8621 2.8671 3.1424 3.1727 3.2609 3.2691 3.8041 3.8059 3.8776 3.9054 9.9621 9.9667 10.0518 10.0527 11.9842 12.1175 12.3037 12.3568 13.0925 13.2264 k = 0.2471 0.4280-0.0000 ( 4346 PWs) bands (ev): -13.7946 -13.7935 -13.7894 -13.7882 -8.9507 -8.9492 -8.9461 -8.9443 -2.5315 -2.4860 -2.3184 -2.2598 -2.2078 -2.1936 -2.0951 -2.0923 -1.9421 -1.9364 -1.7490 -1.6737 -1.5766 -1.5476 -1.4864 -1.4773 -1.3888 -1.3320 -1.3057 -1.2815 -0.3746 -0.3249 -0.1250 -0.1124 1.0892 1.0916 1.1390 1.1502 1.6681 1.6903 2.0408 2.0449 2.1138 2.1464 2.8799 2.8857 3.1865 3.2159 3.2865 3.2945 3.7937 3.7946 3.8640 3.8929 9.9349 9.9404 10.0193 10.0209 11.9280 12.0608 12.3257 12.3865 13.0837 13.2272 k = 0.2414 0.4181-0.0000 ( 4352 PWs) bands (ev): -13.7968 -13.7956 -13.7914 -13.7902 -8.9585 -8.9569 -8.9543 -8.9525 -2.5364 -2.4907 -2.3297 -2.2693 -2.2137 -2.1999 -2.0966 -2.0952 -1.9392 -1.9363 -1.7493 -1.6748 -1.5827 -1.5560 -1.4946 -1.4826 -1.3877 -1.3327 -1.3073 -1.2819 -0.3904 -0.3388 -0.1490 -0.1367 1.1272 1.1307 1.1790 1.1908 1.6973 1.7190 2.0554 2.0665 2.1338 2.1716 2.8977 2.9043 3.2303 3.2589 3.3124 3.3202 3.7833 3.7835 3.8499 3.8798 9.9089 9.9154 9.9826 9.9851 11.8776 12.0103 12.3414 12.4104 13.0779 13.2307 k = 0.2356 0.4081-0.0000 ( 4352 PWs) bands (ev): -13.7991 -13.7978 -13.7936 -13.7922 -8.9666 -8.9651 -8.9630 -8.9612 -2.5410 -2.4955 -2.3409 -2.2789 -2.2195 -2.2064 -2.0984 -2.0983 -1.9375 -1.9370 -1.7492 -1.6770 -1.5883 -1.5645 -1.5024 -1.4877 -1.3879 -1.3345 -1.3091 -1.2831 -0.4050 -0.3517 -0.1722 -0.1604 1.1664 1.1710 1.2211 1.2335 1.7293 1.7503 2.0656 2.0790 2.1670 2.2051 2.9153 2.9227 3.2737 3.3015 3.3387 3.3463 3.7722 3.7734 3.8355 3.8663 9.8840 9.8915 9.9413 9.9447 11.8338 11.9665 12.3499 12.4267 13.0770 13.2381 k = 0.2299 0.3982-0.0000 ( 4352 PWs) bands (ev): -13.8016 -13.8002 -13.7959 -13.7944 -8.9751 -8.9740 -8.9720 -8.9705 -2.5454 -2.5004 -2.3522 -2.2884 -2.2252 -2.2132 -2.1020 -2.1003 -1.9385 -1.9370 -1.7488 -1.6805 -1.5931 -1.5732 -1.5095 -1.4925 -1.3893 -1.3377 -1.3114 -1.2848 -0.4182 -0.3637 -0.1944 -0.1831 1.2064 1.2121 1.2652 1.2782 1.7640 1.7842 2.0751 2.0894 2.2057 2.2428 2.9326 2.9408 3.3167 3.3437 3.3652 3.3725 3.7613 3.7635 3.8211 3.8527 9.8601 9.8685 9.8953 9.8997 11.7972 11.9302 12.3507 12.4341 13.0826 13.2499 k = 0.2241 0.3882-0.0000 ( 4358 PWs) bands (ev): -13.8042 -13.8027 -13.7984 -13.7967 -8.9841 -8.9836 -8.9811 -8.9803 -2.5496 -2.5055 -2.3636 -2.2981 -2.2310 -2.2203 -2.1061 -2.1029 -1.9407 -1.9376 -1.7482 -1.6855 -1.5971 -1.5821 -1.5160 -1.4970 -1.3920 -1.3422 -1.3139 -1.2874 -0.4297 -0.3745 -0.2155 -0.2048 1.2471 1.2538 1.3112 1.3248 1.8012 1.8206 2.0861 2.1013 2.2463 2.2824 2.9496 2.9585 3.3591 3.3843 3.3928 3.3988 3.7506 3.7538 3.8069 3.8391 9.8354 9.8390 9.8515 9.8517 11.7682 11.9016 12.3437 12.4317 13.0956 13.2665 k = 0.2184 0.3783-0.0000 ( 4363 PWs) bands (ev): -13.8070 -13.8053 -13.8009 -13.7992 -8.9938 -8.9933 -8.9905 -8.9904 -2.5535 -2.5107 -2.3748 -2.3079 -2.2368 -2.2275 -2.1107 -2.1060 -1.9435 -1.9393 -1.7475 -1.6919 -1.6004 -1.5911 -1.5217 -1.5011 -1.3960 -1.3474 -1.3166 -1.2907 -0.4397 -0.3841 -0.2353 -0.2253 1.2881 1.2958 1.3589 1.3731 1.8409 1.8595 2.0994 2.1156 2.2876 2.3228 2.9662 2.9757 3.4007 3.4157 3.4253 3.4291 3.7403 3.7446 3.7934 3.8260 9.7843 9.7906 9.8192 9.8290 11.7472 11.8810 12.3292 12.4197 13.1161 13.2873 k = 0.2126 0.3683-0.0000 ( 4371 PWs) bands (ev): -13.8099 -13.8081 -13.8035 -13.8017 -9.0046 -9.0030 -9.0011 -8.9999 -2.5573 -2.5160 -2.3861 -2.3180 -2.2427 -2.2350 -2.1157 -2.1097 -1.9470 -1.9419 -1.7468 -1.6997 -1.6029 -1.6002 -1.5268 -1.5048 -1.4011 -1.3535 -1.3196 -1.2947 -0.4479 -0.3925 -0.2537 -0.2444 1.3291 1.3377 1.4085 1.4232 1.8830 1.9007 2.1152 2.1327 2.3288 2.3634 2.9824 2.9924 3.4402 3.4421 3.4529 3.4696 3.7304 3.7357 3.7809 3.8136 9.7220 9.7305 9.7978 9.8093 11.7342 11.8686 12.3076 12.3985 13.1434 13.3112 k = 0.2069 0.3584-0.0000 ( 4371 PWs) bands (ev): -13.8129 -13.8111 -13.8063 -13.8043 -9.0158 -9.0134 -9.0117 -9.0096 -2.5607 -2.5213 -2.3972 -2.3282 -2.2487 -2.2426 -2.1212 -2.1142 -1.9510 -1.9453 -1.7462 -1.7089 -1.6091 -1.6047 -1.5310 -1.5081 -1.4071 -1.3602 -1.3228 -1.2995 -0.4544 -0.3995 -0.2707 -0.2620 1.3700 1.3794 1.4599 1.4750 1.9273 1.9441 2.1338 2.1525 2.3699 2.4039 2.9980 3.0084 3.4676 3.4723 3.4869 3.5099 3.7210 3.7273 3.7698 3.8023 9.6544 9.6646 9.7779 9.7906 11.7291 11.8644 12.2795 12.3694 13.1760 13.3365 k = 0.2011 0.3484-0.0000 ( 4375 PWs) bands (ev): -13.8161 -13.8141 -13.8091 -13.8071 -9.0274 -9.0246 -9.0221 -9.0195 -2.5639 -2.5266 -2.4083 -2.3388 -2.2549 -2.2503 -2.1272 -2.1195 -1.9555 -1.9494 -1.7460 -1.7192 -1.6178 -1.6061 -1.5346 -1.5109 -1.4137 -1.3672 -1.3264 -1.3050 -0.4591 -0.4052 -0.2861 -0.2781 1.4103 1.4202 1.5130 1.5284 1.9736 1.9897 2.1549 2.1749 2.4106 2.4441 3.0132 3.0236 3.4925 3.4984 3.5254 3.5497 3.7123 3.7195 3.7607 3.7923 9.5819 9.5938 9.7587 9.7725 11.7317 11.8682 12.2456 12.3334 13.2126 13.3597 k = 0.1954 0.3384-0.0000 ( 4381 PWs) bands (ev): -13.8193 -13.8173 -13.8120 -13.8099 -9.0394 -9.0364 -9.0324 -9.0297 -2.5669 -2.5321 -2.4193 -2.3497 -2.2612 -2.2581 -2.1338 -2.1259 -1.9604 -1.9541 -1.7463 -1.7304 -1.6260 -1.6073 -1.5374 -1.5132 -1.4207 -1.3745 -1.3304 -1.3113 -0.4622 -0.4095 -0.3001 -0.2926 1.4498 1.4600 1.5679 1.5835 2.0218 2.0373 2.1785 2.1996 2.4508 2.4839 3.0278 3.0382 3.5167 3.5228 3.5637 3.5889 3.7043 3.7124 3.7539 3.7840 9.5048 9.5183 9.7399 9.7547 11.7417 11.8798 12.2066 12.2917 13.2510 13.3514 k = 0.1897 0.3285-0.0000 ( 4381 PWs) bands (ev): -13.8227 -13.8206 -13.8150 -13.8128 -9.0517 -9.0486 -9.0428 -9.0400 -2.5697 -2.5375 -2.4302 -2.3609 -2.2677 -2.2660 -2.1409 -2.1332 -1.9658 -1.9591 -1.7473 -1.7425 -1.6336 -1.6084 -1.5396 -1.5151 -1.4277 -1.3817 -1.3348 -1.3180 -0.4636 -0.4126 -0.3125 -0.3056 1.4881 1.4984 1.6246 1.6402 2.0717 2.0867 2.2043 2.2265 2.4904 2.5232 3.0420 3.0519 3.5399 3.5461 3.6009 3.6274 3.6971 3.7061 3.7503 3.7778 9.4235 9.4385 9.7212 9.7370 11.7586 11.8987 12.1630 12.2451 13.2802 13.2829 k = 0.1839 0.3185-0.0000 ( 4381 PWs) bands (ev): -13.8262 -13.8240 -13.8180 -13.8158 -9.0643 -9.0611 -9.0533 -9.0504 -2.5723 -2.5431 -2.4409 -2.3725 -2.2744 -2.2739 -2.1486 -2.1415 -1.9715 -1.9644 -1.7552 -1.7494 -1.6403 -1.6095 -1.5411 -1.5166 -1.4343 -1.3888 -1.3395 -1.3252 -0.4635 -0.4143 -0.3235 -0.3170 1.5249 1.5350 1.6831 1.6986 2.1232 2.1378 2.2320 2.2552 2.5296 2.5621 3.0559 3.0651 3.5618 3.5681 3.6359 3.6651 3.6910 3.7012 3.7505 3.7740 9.3386 9.3551 9.7025 9.7192 11.7818 11.9247 12.1153 12.1944 13.1984 13.2319 k = 0.1782 0.3086-0.0000 ( 4385 PWs) bands (ev): -13.8297 -13.8275 -13.8211 -13.8188 -9.0771 -9.0739 -9.0639 -9.0610 -2.5748 -2.5487 -2.4515 -2.3843 -2.2818 -2.2812 -2.1569 -2.1510 -1.9775 -1.9700 -1.7685 -1.7527 -1.6460 -1.6107 -1.5421 -1.5176 -1.4406 -1.3957 -1.3447 -1.3329 -0.4619 -0.4149 -0.3330 -0.3269 1.5598 1.5695 1.7433 1.7584 2.1759 2.1905 2.2614 2.2853 2.5682 2.6005 3.0696 3.0777 3.5823 3.5887 3.6661 3.6861 3.6993 3.7021 3.7558 3.7729 9.2505 9.2682 9.6835 9.7010 11.8104 11.9572 12.0641 12.1403 13.1133 13.1516 k = 0.1724 0.2986-0.0000 ( 4389 PWs) bands (ev): -13.8333 -13.8310 -13.8243 -13.8219 -9.0900 -9.0868 -9.0745 -9.0716 -2.5772 -2.5544 -2.4619 -2.3965 -2.2898 -2.2882 -2.1658 -2.1614 -1.9838 -1.9757 -1.7822 -1.7574 -1.6503 -1.6123 -1.5425 -1.5183 -1.4462 -1.4021 -1.3501 -1.3409 -0.4590 -0.4143 -0.3412 -0.3353 1.5926 1.6016 1.8051 1.8198 2.2296 2.2444 2.2922 2.3165 2.6066 2.6385 3.0833 3.0901 3.6009 3.6078 3.6817 3.6831 3.7089 3.7378 3.7678 3.7748 9.1595 9.1785 9.6640 9.6823 11.8432 11.9956 12.0096 12.0839 13.0264 13.0690 k = 0.1667 0.2887-0.0000 ( 4389 PWs) bands (ev): -13.8370 -13.8346 -13.8274 -13.8251 -9.1031 -9.0999 -9.0852 -9.0822 -2.5795 -2.5603 -2.4720 -2.4089 -2.2977 -2.2953 -2.1752 -2.1728 -1.9903 -1.9814 -1.7962 -1.7636 -1.6532 -1.6141 -1.5425 -1.5186 -1.4509 -1.4081 -1.3558 -1.3491 -0.4548 -0.4125 -0.3482 -0.3424 1.6229 1.6310 1.8685 1.8827 2.2837 2.2994 2.3244 2.3484 2.6447 2.6763 3.0973 3.1025 3.6169 3.6253 3.6822 3.6830 3.7286 3.7703 3.7821 3.7877 9.0662 9.0862 9.6438 9.6628 11.8773 11.9521 12.0273 12.0391 12.9388 12.9864 k = 0.1609 0.2787-0.0000 ( 4393 PWs) bands (ev): -13.8407 -13.8383 -13.8307 -13.8283 -9.1163 -9.1130 -9.0959 -9.0928 -2.5819 -2.5665 -2.4819 -2.4215 -2.3057 -2.3026 -2.1852 -2.1851 -1.9970 -1.9872 -1.8104 -1.7712 -1.6548 -1.6161 -1.5421 -1.5186 -1.4546 -1.4136 -1.3617 -1.3573 -0.4496 -0.4097 -0.3541 -0.3483 1.6505 1.6575 1.9335 1.9469 2.3362 2.3550 2.3593 2.3808 2.6827 2.7140 3.1119 3.1153 3.6297 3.6413 3.6824 3.6845 3.7474 3.7846 3.8095 3.8138 8.9708 8.9917 9.6227 9.6424 11.8920 11.8997 11.9824 12.0866 12.8517 12.9054 k = 0.1552 0.2688-0.0000 ( 4389 PWs) bands (ev): -13.8444 -13.8420 -13.8339 -13.8315 -9.1295 -9.1263 -9.1065 -9.1034 -2.5843 -2.5730 -2.4912 -2.4342 -2.3136 -2.3100 -2.1982 -2.1957 -2.0039 -1.9930 -1.8246 -1.7800 -1.6551 -1.6184 -1.5413 -1.5182 -1.4574 -1.4185 -1.3678 -1.3654 -0.4434 -0.4060 -0.3589 -0.3529 1.6752 1.6809 1.9999 2.0124 2.3792 2.4041 2.4067 2.4173 2.7209 2.7518 3.1273 3.1288 3.6388 3.6562 3.6826 3.6905 3.7653 3.7952 3.8423 3.8431 8.8739 8.8955 9.6007 9.6210 11.8294 11.8700 11.9881 12.1361 12.7672 12.8282 k = 0.1494 0.2588-0.0000 ( 4393 PWs) bands (ev): -13.8482 -13.8458 -13.8372 -13.8347 -9.1428 -9.1395 -9.1170 -9.1139 -2.5869 -2.5799 -2.5000 -2.4468 -2.3215 -2.3175 -2.2118 -2.2068 -2.0107 -1.9988 -1.8388 -1.7900 -1.6544 -1.6207 -1.5404 -1.5176 -1.4592 -1.4228 -1.3738 -1.3734 -0.4364 -0.4014 -0.3627 -0.3565 1.6966 1.7009 2.0677 2.0792 2.4131 2.4407 2.4577 2.4711 2.7594 2.7898 3.1434 3.1440 3.6451 3.6693 3.6852 3.6999 3.7835 3.8077 3.8734 3.8745 8.7756 8.7979 9.5776 9.5984 11.7647 11.8093 12.0203 12.1840 12.6890 12.7578 k = 0.1437 0.2489-0.0000 ( 4389 PWs) bands (ev): -13.8519 -13.8496 -13.8404 -13.8380 -9.1559 -9.1527 -9.1274 -9.1244 -2.5899 -2.5874 -2.5082 -2.4593 -2.3293 -2.3251 -2.2259 -2.2184 -2.0174 -2.0045 -1.8530 -1.8007 -1.6528 -1.6230 -1.5392 -1.5168 -1.4601 -1.4265 -1.3810 -1.3798 -0.4286 -0.3961 -0.3657 -0.3590 1.7147 1.7176 2.1368 2.1469 2.4443 2.4703 2.5132 2.5281 2.7984 2.8281 3.1594 3.1621 3.6498 3.6781 3.6935 3.7118 3.8020 3.8219 3.9037 3.9057 8.6764 8.6992 9.5533 9.5745 11.6980 11.7416 12.0504 12.2224 12.6249 12.6992 k = 0.1379 0.2389-0.0000 ( 4397 PWs) bands (ev): -13.8557 -13.8534 -13.8436 -13.8412 -9.1690 -9.1658 -9.1376 -9.1346 -2.5955 -2.5934 -2.5158 -2.4713 -2.3372 -2.3327 -2.2403 -2.2304 -2.0240 -2.0103 -1.8671 -1.8121 -1.6505 -1.6253 -1.5380 -1.5159 -1.4603 -1.4297 -1.3883 -1.3857 -0.4204 -0.3901 -0.3680 -0.3607 1.7295 1.7309 2.2070 2.2155 2.4739 2.4979 2.5688 2.5852 2.8380 2.8669 3.1772 3.1818 3.6544 3.6832 3.7073 3.7252 3.8208 3.8373 3.9335 3.9358 8.5766 8.5998 9.5277 9.5493 11.6296 11.6710 12.0677 12.2363 12.5901 12.6594 k = 0.1322 0.2289-0.0000 ( 4397 PWs) bands (ev): -13.8594 -13.8571 -13.8468 -13.8444 -9.1819 -9.1787 -9.1477 -9.1447 -2.6042 -2.5976 -2.5225 -2.4827 -2.3449 -2.3403 -2.2549 -2.2429 -2.0304 -2.0160 -1.8809 -1.8239 -1.6477 -1.6273 -1.5368 -1.5148 -1.4598 -1.4323 -1.3950 -1.3914 -0.4118 -0.3835 -0.3696 -0.3615 1.7408 1.7408 2.2782 2.2845 2.5021 2.5234 2.6240 2.6420 2.8781 2.9061 3.1970 3.2033 3.6597 3.6883 3.7234 3.7400 3.8398 3.8535 3.9624 3.9649 8.4764 8.4999 9.5010 9.5228 11.5596 11.5984 12.0642 12.2115 12.5986 12.6456 k = 0.1264 0.2190-0.0000 ( 4397 PWs) bands (ev): -13.8632 -13.8609 -13.8500 -13.8476 -9.1946 -9.1915 -9.1575 -9.1546 -2.6136 -2.6026 -2.5284 -2.4932 -2.3525 -2.3480 -2.2694 -2.2556 -2.0364 -2.0216 -1.8946 -1.8359 -1.6445 -1.6289 -1.5356 -1.5137 -1.4587 -1.4344 -1.4012 -1.3969 -0.4032 -0.3764 -0.3706 -0.3613 1.7474 1.7488 2.3503 2.3533 2.5294 2.5466 2.6784 2.6981 2.9188 2.9456 3.2187 3.2266 3.6661 3.6945 3.7410 3.7559 3.8586 3.8702 3.9904 3.9927 8.3762 8.3997 9.4731 9.4950 11.4885 11.5244 12.0363 12.1539 12.6447 12.6610 k = 0.1207 0.2090-0.0000 ( 4389 PWs) bands (ev): -13.8668 -13.8646 -13.8531 -13.8508 -9.2071 -9.2041 -9.1671 -9.1643 -2.6235 -2.6087 -2.5335 -2.5025 -2.3600 -2.3555 -2.2839 -2.2686 -2.0421 -2.0271 -1.9078 -1.8480 -1.6409 -1.6301 -1.5345 -1.5126 -1.4570 -1.4359 -1.4066 -1.4020 -0.3947 -0.3712 -0.3689 -0.3602 1.7510 1.7537 2.4205 2.4231 2.5567 2.5675 2.7318 2.7532 2.9597 2.9854 3.2424 3.2517 3.6739 3.7022 3.7599 3.7731 3.8772 3.8870 4.0172 4.0193 8.2761 8.2997 9.4441 9.4661 11.4163 11.4494 11.9876 12.0789 12.7023 12.7130 k = 0.1149 0.1991-0.0000 ( 4397 PWs) bands (ev): -13.8704 -13.8682 -13.8562 -13.8539 -9.2193 -9.2164 -9.1765 -9.1737 -2.6339 -2.6161 -2.5379 -2.5106 -2.3675 -2.3631 -2.2982 -2.2818 -2.0474 -2.0327 -1.9209 -1.8601 -1.6372 -1.6310 -1.5338 -1.5117 -1.4551 -1.4371 -1.4115 -1.4068 -0.3869 -0.3713 -0.3611 -0.3579 1.7517 1.7556 2.4829 2.4963 2.5860 2.5871 2.7838 2.8071 3.0006 3.0250 3.2678 3.2782 3.6835 3.7115 3.7802 3.7915 3.8953 3.9037 4.0428 4.0446 8.1766 8.2001 9.4141 9.4361 11.3434 11.3738 11.9243 11.9960 12.7630 12.7940 k = 0.1092 0.1891-0.0000 ( 4397 PWs) bands (ev): -13.8740 -13.8718 -13.8592 -13.8570 -9.2312 -9.2283 -9.1855 -9.1828 -2.6447 -2.6247 -2.5416 -2.5173 -2.3748 -2.3705 -2.3121 -2.2951 -2.0521 -2.0381 -1.9336 -1.8721 -1.6332 -1.6313 -1.5332 -1.5109 -1.4529 -1.4378 -1.4156 -1.4112 -0.3803 -0.3710 -0.3539 -0.3532 1.7499 1.7548 2.5336 2.5692 2.6030 2.6274 2.8344 2.8593 3.0410 3.0641 3.2946 3.3059 3.6950 3.7228 3.8020 3.8114 3.9129 3.9201 4.0671 4.0686 8.0778 8.1011 9.3833 9.4052 11.2701 11.2978 11.8521 11.9097 12.8375 12.8833 k = 0.1034 0.1792-0.0000 ( 4399 PWs) bands (ev): -13.8774 -13.8753 -13.8621 -13.8600 -9.2427 -9.2400 -9.1943 -9.1917 -2.6558 -2.6343 -2.5447 -2.5226 -2.3820 -2.3778 -2.3257 -2.3083 -2.0563 -2.0433 -1.9459 -1.8839 -1.6312 -1.6291 -1.5330 -1.5103 -1.4504 -1.4383 -1.4190 -1.4152 -0.3753 -0.3705 -0.3481 -0.3451 1.7458 1.7516 2.5675 2.6141 2.6458 2.6823 2.8835 2.9099 3.0806 3.1023 3.3224 3.3343 3.7085 3.7360 3.8252 3.8328 3.9300 3.9361 4.0901 4.0912 7.9800 8.0031 9.3518 9.3735 11.1967 11.2219 11.7752 11.8224 12.9218 12.9786 k = 0.0977 0.1692-0.0000 ( 4399 PWs) bands (ev): -13.8808 -13.8787 -13.8650 -13.8629 -9.2539 -9.2512 -9.2027 -9.2001 -2.6670 -2.6448 -2.5473 -2.5268 -2.3889 -2.3849 -2.3387 -2.3215 -2.0599 -2.0484 -1.9578 -1.8955 -1.6306 -1.6250 -1.5332 -1.5100 -1.4478 -1.4384 -1.4216 -1.4187 -0.3716 -0.3698 -0.3408 -0.3370 1.7398 1.7463 2.5897 2.6269 2.7185 2.7468 2.9309 2.9585 3.1190 3.1393 3.3507 3.3628 3.7243 3.7512 3.8500 3.8557 3.9464 3.9516 4.1116 4.1124 7.8837 7.9064 9.3200 9.3413 11.1236 11.1464 11.6959 11.7353 13.0136 13.0787 k = 0.0920 0.1593-0.0000 ( 4391 PWs) bands (ev): -13.8840 -13.8820 -13.8677 -13.8657 -9.2646 -9.2620 -9.2107 -9.2083 -2.6782 -2.6560 -2.5493 -2.5299 -2.3956 -2.3918 -2.3511 -2.3344 -2.0628 -2.0532 -1.9692 -1.9068 -1.6294 -1.6207 -1.5337 -1.5100 -1.4451 -1.4381 -1.4235 -1.4215 -0.3688 -0.3688 -0.3327 -0.3289 1.7323 1.7393 2.6058 2.6372 2.7915 2.8149 2.9767 3.0051 3.1557 3.1747 3.3787 3.3910 3.7424 3.7686 3.8763 3.8804 3.9620 3.9665 4.1317 4.1321 7.7890 7.8113 9.2880 9.3088 11.0512 11.0717 11.6160 11.6495 13.1112 13.1828 k = 0.0862 0.1493-0.0000 ( 4395 PWs) bands (ev): -13.8871 -13.8852 -13.8703 -13.8684 -9.2748 -9.2723 -9.2183 -9.2160 -2.6893 -2.6676 -2.5510 -2.5322 -2.4022 -2.3986 -2.3630 -2.3471 -2.0652 -2.0579 -1.9803 -1.9178 -1.6279 -1.6164 -1.5347 -1.5105 -1.4424 -1.4377 -1.4248 -1.4239 -0.3678 -0.3665 -0.3244 -0.3210 1.7235 1.7309 2.6184 2.6456 2.8638 2.8838 3.0208 3.0496 3.1905 3.2080 3.4061 3.4182 3.7628 3.7881 3.9041 3.9066 3.9770 3.9807 4.1502 4.1504 7.6963 7.7180 9.2560 9.2763 10.9798 10.9982 11.5367 11.5654 13.2134 13.2904 k = 0.0805 0.1394-0.0000 ( 4383 PWs) bands (ev): -13.8900 -13.8883 -13.8728 -13.8710 -9.2845 -9.2822 -9.2255 -9.2233 -2.7001 -2.6792 -2.5523 -2.5339 -2.4084 -2.4051 -2.3741 -2.3593 -2.0669 -2.0622 -1.9907 -1.9284 -1.6259 -1.6120 -1.5359 -1.5113 -1.4397 -1.4369 -1.4257 -1.4256 -0.3665 -0.3645 -0.3159 -0.3132 1.7138 1.7215 2.6285 2.6525 2.9349 2.9521 3.0634 3.0918 3.2229 3.2392 3.4321 3.4440 3.7855 3.8096 3.9330 3.9342 3.9914 3.9943 4.1671 4.1672 7.6061 7.6271 9.2244 9.2440 10.9100 10.9263 11.4590 11.4838 13.3195 13.4009 k = 0.0747 0.1294-0.0000 ( 4387 PWs) bands (ev): -13.8928 -13.8912 -13.8752 -13.8734 -9.2937 -9.2915 -9.2323 -9.2303 -2.7107 -2.6908 -2.5533 -2.5353 -2.4145 -2.4114 -2.3846 -2.3710 -2.0681 -2.0663 -2.0008 -1.9386 -1.6237 -1.6077 -1.5376 -1.5126 -1.4372 -1.4361 -1.4271 -1.4260 -0.3653 -0.3628 -0.3077 -0.3057 1.7035 1.7112 2.6368 2.6581 3.0042 3.0186 3.1047 3.1319 3.2530 3.2680 3.4565 3.4678 3.8102 3.8330 3.9625 3.9629 4.0054 4.0075 4.1822 4.1826 7.5186 7.5389 9.1935 9.2123 10.8421 10.8565 11.3835 11.4051 13.4288 13.5139 k = 0.0690 0.1195-0.0000 ( 4383 PWs) bands (ev): -13.8955 -13.8939 -13.8774 -13.8757 -9.3023 -9.3003 -9.2387 -9.2368 -2.7207 -2.7021 -2.5540 -2.5362 -2.4202 -2.4174 -2.3943 -2.3822 -2.0700 -2.0686 -2.0103 -1.9484 -1.6210 -1.6034 -1.5395 -1.5142 -1.4351 -1.4347 -1.4280 -1.4259 -0.3640 -0.3612 -0.2999 -0.2985 1.6929 1.7006 2.6436 2.6626 3.0711 3.0814 3.1457 3.1699 3.2808 3.2946 3.4788 3.4895 3.8365 3.8578 3.9910 3.9914 4.0204 4.0209 4.1958 4.1964 7.4344 7.4538 9.1634 9.1813 10.7766 10.7893 11.3110 11.3299 13.5407 13.6290 k = 0.0632 0.1095-0.0000 ( 4387 PWs) bands (ev): -13.8980 -13.8965 -13.8794 -13.8779 -9.3103 -9.3084 -9.2446 -9.2428 -2.7303 -2.7131 -2.5545 -2.5370 -2.4257 -2.4231 -2.4032 -2.3928 -2.0734 -2.0686 -2.0193 -1.9578 -1.6182 -1.5991 -1.5418 -1.5162 -1.4340 -1.4324 -1.4284 -1.4256 -0.3628 -0.3597 -0.2925 -0.2918 1.6822 1.6898 2.6492 2.6660 3.1341 3.1378 3.1882 3.2062 3.3065 3.3192 3.4990 3.5089 3.8639 3.8836 4.0142 4.0161 4.0379 4.0401 4.2078 4.2086 7.3538 7.3722 9.1346 9.1515 10.7140 10.7251 11.2420 11.2585 13.6547 13.7459 k = 0.0575 0.0995-0.0000 ( 4377 PWs) bands (ev): -13.9002 -13.8989 -13.8813 -13.8799 -9.3177 -9.3160 -9.2500 -9.2484 -2.7392 -2.7234 -2.5547 -2.5376 -2.4307 -2.4285 -2.4114 -2.4025 -2.0764 -2.0679 -2.0277 -1.9667 -1.6150 -1.5947 -1.5442 -1.5186 -1.4329 -1.4306 -1.4282 -1.4249 -0.3615 -0.3584 -0.2855 -0.2854 1.6718 1.6791 2.6537 2.6687 3.1842 3.1912 3.2345 3.2420 3.3307 3.3426 3.5170 3.5261 3.8919 3.9100 4.0293 4.0320 4.0630 4.0667 4.2182 4.2191 7.2775 7.2948 9.1072 9.1230 10.6547 10.6643 11.1771 11.1915 13.7704 13.8641 k = 0.0517 0.0896-0.0000 ( 4389 PWs) bands (ev): -13.9023 -13.9011 -13.8831 -13.8818 -9.3245 -9.3229 -9.2549 -9.2534 -2.7475 -2.7332 -2.5547 -2.5383 -2.4354 -2.4336 -2.4188 -2.4116 -2.0790 -2.0668 -2.0356 -1.9754 -1.6117 -1.5905 -1.5470 -1.5213 -1.4318 -1.4296 -1.4272 -1.4243 -0.3603 -0.3572 -0.2796 -0.2793 1.6618 1.6686 2.6575 2.6706 3.2212 3.2381 3.2795 3.2817 3.3549 3.3662 3.5328 3.5410 3.9199 3.9362 4.0402 4.0428 4.0918 4.0960 4.2270 4.2279 7.2059 7.2219 9.0816 9.0961 10.5993 10.6075 11.1167 11.1292 13.8872 13.9833 k = 0.0460 0.0796-0.0000 ( 4381 PWs) bands (ev): -13.9042 -13.9031 -13.8847 -13.8835 -9.3306 -9.3292 -9.2594 -9.2580 -2.7549 -2.7422 -2.5544 -2.5388 -2.4397 -2.4382 -2.4253 -2.4197 -2.0812 -2.0651 -2.0429 -1.9835 -1.6082 -1.5862 -1.5499 -1.5242 -1.4308 -1.4291 -1.4255 -1.4234 -0.3591 -0.3562 -0.2741 -0.2736 1.6524 1.6588 2.6605 2.6720 3.2522 3.2728 3.3170 3.3229 3.3823 3.3934 3.5466 3.5539 3.9470 3.9616 4.0493 4.0516 4.1206 4.1249 4.2344 4.2353 7.1396 7.1543 9.0580 9.0712 10.5481 10.5552 11.0613 11.0721 14.0045 14.1028 k = 0.0402 0.0697-0.0000 ( 4377 PWs) bands (ev): -13.9059 -13.9049 -13.8861 -13.8850 -9.3360 -9.3347 -9.2633 -9.2621 -2.7616 -2.7505 -2.5540 -2.5394 -2.4435 -2.4424 -2.4310 -2.4269 -2.0828 -2.0629 -2.0495 -1.9913 -1.6045 -1.5819 -1.5529 -1.5273 -1.4297 -1.4286 -1.4239 -1.4225 -0.3580 -0.3553 -0.2693 -0.2685 1.6437 1.6496 2.6630 2.6728 3.2789 3.2991 3.3470 3.3526 3.4159 3.4269 3.5584 3.5648 3.9727 3.9855 4.0572 4.0593 4.1481 4.1523 4.2402 4.2411 7.0792 7.0924 9.0367 9.0484 10.5018 10.5077 11.0114 11.0206 14.1219 14.2223 k = 0.0345 0.0597-0.0000 ( 4377 PWs) bands (ev): -13.9074 -13.9065 -13.8873 -13.8864 -9.3407 -9.3396 -9.2667 -9.2657 -2.7674 -2.7578 -2.5533 -2.5401 -2.4469 -2.4461 -2.4361 -2.4333 -2.0840 -2.0604 -2.0556 -1.9987 -1.6008 -1.5777 -1.5562 -1.5306 -1.4288 -1.4281 -1.4225 -1.4216 -0.3570 -0.3545 -0.2650 -0.2641 1.6361 1.6412 2.6650 2.6733 3.3019 3.3200 3.3680 3.3724 3.4537 3.4640 3.5686 3.5740 3.9961 4.0072 4.0643 4.0663 4.1734 4.1773 4.2448 4.2456 7.0253 7.0370 9.0178 9.0281 10.4607 10.4656 10.9673 10.9751 14.2387 14.3411 k = 0.0287 0.0498-0.0000 ( 4371 PWs) bands (ev): -13.9086 -13.9079 -13.8883 -13.8875 -9.3447 -9.3438 -9.2696 -9.2687 -2.7722 -2.7643 -2.5525 -2.5409 -2.4499 -2.4493 -2.4403 -2.4386 -2.0847 -2.0614 -2.0569 -2.0058 -1.5969 -1.5735 -1.5595 -1.5341 -1.4280 -1.4276 -1.4213 -1.4208 -0.3560 -0.3539 -0.2612 -0.2603 1.6295 1.6338 2.6667 2.6735 3.3214 3.3366 3.3833 3.3864 3.4905 3.4995 3.5772 3.5816 4.0167 4.0260 4.0709 4.0726 4.1958 4.1994 4.2482 4.2488 6.9786 6.9886 9.0016 9.0103 10.4251 10.4291 10.9295 10.9358 14.3541 14.4585 k = 0.0230 0.0398-0.0000 ( 4365 PWs) bands (ev): -13.9096 -13.9090 -13.8891 -13.8885 -9.3479 -9.3472 -9.2720 -9.2713 -2.7761 -2.7697 -2.5515 -2.5419 -2.4522 -2.4519 -2.4438 -2.4429 -2.0848 -2.0662 -2.0535 -2.0124 -1.5930 -1.5693 -1.5629 -1.5377 -1.4274 -1.4271 -1.4202 -1.4200 -0.3552 -0.3535 -0.2581 -0.2573 1.6240 1.6276 2.6680 2.6735 3.3375 3.3493 3.3951 3.3969 3.5229 3.5304 3.5846 3.5881 4.0336 4.0411 4.0772 4.0785 4.2149 4.2180 4.2507 4.2511 6.9397 6.9478 8.9883 8.9954 10.3956 10.3987 10.8981 10.9032 14.4671 14.5733 k = 0.0172 0.0299-0.0000 ( 4365 PWs) bands (ev): -13.9103 -13.9099 -13.8897 -13.8893 -9.3505 -9.3499 -9.2738 -9.2732 -2.7790 -2.7742 -2.5504 -2.5429 -2.4542 -2.4540 -2.4466 -2.4462 -2.0845 -2.0706 -2.0497 -2.0188 -1.5892 -1.5665 -1.5651 -1.5414 -1.4268 -1.4268 -1.4195 -1.4193 -0.3545 -0.3532 -0.2557 -0.2550 1.6198 1.6225 2.6692 2.6732 3.3500 3.3586 3.4040 3.4049 3.5489 3.5544 3.5913 3.5937 4.0465 4.0518 4.0834 4.0842 4.2300 4.2326 4.2526 4.2528 6.9090 6.9151 8.9780 8.9833 10.3724 10.3746 10.8736 10.8774 14.5766 14.6825 k = 0.0115 0.0199-0.0000 ( 4365 PWs) bands (ev): -13.9109 -13.9106 -13.8902 -13.8899 -9.3523 -9.3519 -9.2750 -9.2747 -2.7808 -2.7776 -2.5492 -2.5441 -2.4556 -2.4555 -2.4486 -2.4485 -2.0836 -2.0743 -2.0454 -2.0248 -1.5853 -1.5701 -1.5611 -1.5452 -1.4265 -1.4265 -1.4190 -1.4189 -0.3539 -0.3530 -0.2539 -0.2534 1.6169 1.6187 2.6701 2.6728 3.3591 3.3647 3.4104 3.4107 3.5670 3.5703 3.5978 3.5989 4.0552 4.0585 4.0889 4.0892 4.2406 4.2425 4.2543 4.2544 6.8870 6.8911 8.9709 8.9744 10.3557 10.3571 10.8561 10.8586 14.6805 14.7525 k = 0.0057 0.0100-0.0000 ( 4369 PWs) bands (ev): -13.9112 -13.9110 -13.8904 -13.8903 -9.3533 -9.3531 -9.2758 -9.2756 -2.7816 -2.7800 -2.5480 -2.5454 -2.4564 -2.4564 -2.4499 -2.4499 -2.0821 -2.0775 -2.0408 -2.0305 -1.5814 -1.5738 -1.5571 -1.5491 -1.4263 -1.4263 -1.4187 -1.4187 -0.3535 -0.3530 -0.2527 -0.2525 1.6153 1.6162 2.6710 2.6723 3.3650 3.3677 3.4142 3.4142 3.5769 3.5782 3.6033 3.6034 4.0603 4.0618 4.0927 4.0927 4.2463 4.2473 4.2562 4.2563 6.8741 6.8762 8.9669 8.9687 10.3457 10.3464 10.8458 10.8471 14.7611 14.7752 k = 0.0000 0.0000 0.0000 ( 4369 PWs) bands (ev): -13.9112 -13.9112 -13.8904 -13.8904 -9.3536 -9.3536 -9.2760 -9.2760 -2.7813 -2.7813 -2.5467 -2.5467 -2.4567 -2.4567 -2.4503 -2.4503 -2.0801 -2.0801 -2.0358 -2.0358 -1.5776 -1.5776 -1.5531 -1.5531 -1.4263 -1.4263 -1.4186 -1.4186 -0.3532 -0.3532 -0.2523 -0.2523 1.6151 1.6151 2.6717 2.6717 3.3679 3.3679 3.4154 3.4154 3.5802 3.5802 3.6054 3.6054 4.0623 4.0623 4.0940 4.0940 4.2481 4.2481 4.2573 4.2573 6.8705 6.8705 8.9661 8.9661 10.3426 10.3426 10.8428 10.8428 14.7772 14.8077 k = 0.0000 0.0000 0.0000 ( 4369 PWs) bands (ev): -13.9112 -13.9112 -13.8904 -13.8904 -9.3536 -9.3536 -9.2760 -9.2760 -2.7813 -2.7813 -2.5467 -2.5467 -2.4567 -2.4567 -2.4503 -2.4503 -2.0801 -2.0801 -2.0358 -2.0358 -1.5776 -1.5776 -1.5531 -1.5531 -1.4263 -1.4263 -1.4186 -1.4186 -0.3532 -0.3532 -0.2523 -0.2523 1.6151 1.6151 2.6717 2.6717 3.3679 3.3679 3.4154 3.4154 3.5802 3.5802 3.6054 3.6054 4.0623 4.0623 4.0940 4.0940 4.2481 4.2481 4.2573 4.2573 6.8705 6.8705 8.9661 8.9661 10.3426 10.3426 10.8428 10.8428 14.7774 14.7819 k = 0.0000 0.0000 0.0112 ( 4369 PWs) bands (ev): -13.9112 -13.9112 -13.8905 -13.8905 -9.3534 -9.3534 -9.2762 -9.2762 -2.7807 -2.7807 -2.5472 -2.5472 -2.4567 -2.4567 -2.4503 -2.4503 -2.0800 -2.0800 -2.0359 -2.0359 -1.5776 -1.5776 -1.5532 -1.5532 -1.4263 -1.4263 -1.4186 -1.4186 -0.3531 -0.3531 -0.2527 -0.2527 1.6175 1.6175 2.6688 2.6688 3.3683 3.3683 3.4158 3.4158 3.5795 3.5795 3.6048 3.6048 4.0630 4.0630 4.0946 4.0946 4.2478 4.2478 4.2570 4.2570 6.8748 6.8748 8.9577 8.9577 10.3478 10.3478 10.8429 10.8429 14.7781 14.7852 k = 0.0000 0.0000 0.0224 ( 4357 PWs) bands (ev): -13.9110 -13.9110 -13.8906 -13.8906 -9.3529 -9.3529 -9.2767 -9.2767 -2.7790 -2.7790 -2.5488 -2.5488 -2.4566 -2.4566 -2.4503 -2.4503 -2.0798 -2.0798 -2.0363 -2.0363 -1.5774 -1.5774 -1.5533 -1.5533 -1.4262 -1.4262 -1.4185 -1.4185 -0.3527 -0.3527 -0.2538 -0.2538 1.6247 1.6247 2.6601 2.6601 3.3695 3.3695 3.4169 3.4169 3.5774 3.5774 3.6030 3.6030 4.0649 4.0649 4.0962 4.0962 4.2468 4.2468 4.2561 4.2561 6.8877 6.8877 8.9330 8.9330 10.3630 10.3630 10.8434 10.8434 14.7769 14.7828 k = 0.0000 0.0000 0.0336 ( 4339 PWs) bands (ev): -13.9108 -13.9108 -13.8909 -13.8909 -9.3519 -9.3519 -9.2776 -9.2776 -2.7762 -2.7762 -2.5514 -2.5514 -2.4564 -2.4564 -2.4503 -2.4503 -2.0793 -2.0793 -2.0369 -2.0369 -1.5771 -1.5771 -1.5536 -1.5536 -1.4260 -1.4260 -1.4185 -1.4185 -0.3520 -0.3520 -0.2557 -0.2557 1.6367 1.6367 2.6458 2.6458 3.3715 3.3715 3.4187 3.4187 3.5739 3.5739 3.6000 3.6000 4.0681 4.0681 4.0989 4.0989 4.2451 4.2451 4.2546 4.2546 6.9091 6.9091 8.8932 8.8932 10.3868 10.3868 10.8440 10.8440 14.7797 14.8342 k = 0.0000 0.0000 0.0448 ( 4344 PWs) bands (ev): -13.9104 -13.9104 -13.8912 -13.8912 -9.3507 -9.3507 -9.2789 -9.2789 -2.7724 -2.7724 -2.5552 -2.5552 -2.4563 -2.4563 -2.4505 -2.4505 -2.0788 -2.0788 -2.0379 -2.0379 -1.5769 -1.5769 -1.5542 -1.5542 -1.4259 -1.4259 -1.4186 -1.4186 -0.3511 -0.3511 -0.2585 -0.2585 1.6533 1.6533 2.6261 2.6261 3.3743 3.3743 3.4213 3.4213 3.5691 3.5691 3.5959 3.5959 4.0723 4.0723 4.1025 4.1025 4.2428 4.2428 4.2525 4.2525 6.9388 6.9388 8.8404 8.8404 10.4173 10.4173 10.8448 10.8448 14.7745 14.7827 k = 0.0000 0.0000 0.0560 ( 4350 PWs) bands (ev): -13.9100 -13.9100 -13.8917 -13.8917 -9.3490 -9.3490 -9.2806 -9.2806 -2.7676 -2.7676 -2.5601 -2.5601 -2.4562 -2.4562 -2.4506 -2.4506 -2.0781 -2.0781 -2.0391 -2.0391 -1.5765 -1.5765 -1.5548 -1.5548 -1.4258 -1.4258 -1.4188 -1.4188 -0.3500 -0.3500 -0.2619 -0.2619 1.6744 1.6744 2.6013 2.6013 3.3778 3.3778 3.4245 3.4245 3.5632 3.5632 3.5908 3.5908 4.0776 4.0776 4.1071 4.1071 4.2398 4.2398 4.2498 4.2498 6.9763 6.9763 8.7766 8.7766 10.4526 10.4526 10.8457 10.8457 14.7708 14.7873 k = 0.0000 0.0000 0.0672 ( 4356 PWs) bands (ev): -13.9095 -13.9095 -13.8922 -13.8922 -9.3471 -9.3471 -9.2826 -9.2826 -2.7616 -2.7616 -2.5659 -2.5659 -2.4561 -2.4561 -2.4508 -2.4508 -2.0772 -2.0772 -2.0406 -2.0406 -1.5760 -1.5760 -1.5557 -1.5557 -1.4256 -1.4256 -1.4191 -1.4191 -0.3485 -0.3485 -0.2659 -0.2659 1.6996 1.6996 2.5717 2.5717 3.3821 3.3821 3.4285 3.4285 3.5562 3.5562 3.5848 3.5848 4.0839 4.0839 4.1124 4.1124 4.2361 4.2361 4.2465 4.2465 7.0214 7.0214 8.7037 8.7037 10.4909 10.4909 10.8464 10.8464 14.7639 14.7654 k = 0.0000 0.0000 0.0784 ( 4356 PWs) bands (ev): -13.9089 -13.9089 -13.8928 -13.8928 -9.3449 -9.3449 -9.2849 -9.2849 -2.7547 -2.7547 -2.5727 -2.5727 -2.4559 -2.4559 -2.4510 -2.4510 -2.0762 -2.0762 -2.0422 -2.0422 -1.5755 -1.5755 -1.5567 -1.5567 -1.4254 -1.4254 -1.4193 -1.4193 -0.3467 -0.3467 -0.2704 -0.2704 1.7289 1.7289 2.5379 2.5379 3.3871 3.3871 3.4331 3.4331 3.5484 3.5484 3.5780 3.5780 4.0909 4.0909 4.1185 4.1185 4.2318 4.2318 4.2427 4.2427 7.0736 7.0736 8.6237 8.6237 10.5303 10.5303 10.8468 10.8468 14.7564 14.7865 k = 0.0000 0.0000 0.0896 ( 4368 PWs) bands (ev): -13.9082 -13.9082 -13.8935 -13.8935 -9.3423 -9.3423 -9.2874 -9.2874 -2.7470 -2.7470 -2.5803 -2.5803 -2.4558 -2.4558 -2.4512 -2.4512 -2.0751 -2.0751 -2.0440 -2.0440 -1.5750 -1.5750 -1.5578 -1.5578 -1.4252 -1.4252 -1.4196 -1.4196 -0.3447 -0.3447 -0.2753 -0.2753 1.7619 1.7619 2.5002 2.5002 3.3928 3.3928 3.4383 3.4383 3.5398 3.5398 3.5704 3.5704 4.0985 4.0985 4.1251 4.1251 4.2269 4.2269 4.2383 4.2383 7.1324 7.1324 8.5381 8.5381 10.5695 10.5695 10.8467 10.8467 14.7399 14.7404 k = 0.0000 0.0000 0.1008 ( 4386 PWs) bands (ev): -13.9075 -13.9075 -13.8943 -13.8943 -9.3395 -9.3395 -9.2903 -9.2903 -2.7384 -2.7384 -2.5890 -2.5890 -2.4556 -2.4556 -2.4515 -2.4515 -2.0738 -2.0738 -2.0461 -2.0461 -1.5743 -1.5743 -1.5590 -1.5590 -1.4250 -1.4250 -1.4201 -1.4201 -0.3423 -0.3423 -0.2805 -0.2805 1.7982 1.7982 2.4592 2.4592 3.3992 3.3992 3.4442 3.4442 3.5305 3.5305 3.5623 3.5623 4.1067 4.1067 4.1322 4.1322 4.2214 4.2214 4.2334 4.2334 7.1973 7.1973 8.4482 8.4482 10.6076 10.6076 10.8459 10.8459 14.7249 14.7250 k = 0.0000 0.0000 0.1119 ( 4368 PWs) bands (ev): -13.9066 -13.9066 -13.8951 -13.8951 -9.3365 -9.3365 -9.2934 -9.2934 -2.7290 -2.7290 -2.5981 -2.5981 -2.4553 -2.4553 -2.4516 -2.4516 -2.0723 -2.0723 -2.0480 -2.0480 -1.5735 -1.5735 -1.5601 -1.5601 -1.4246 -1.4246 -1.4204 -1.4204 -0.3394 -0.3394 -0.2857 -0.2857 1.8377 1.8377 2.4153 2.4153 3.4063 3.4063 3.4506 3.4506 3.5209 3.5209 3.5538 3.5538 4.1153 4.1153 4.1397 4.1397 4.2154 4.2154 4.2280 4.2280 7.2678 7.2678 8.3552 8.3552 10.6435 10.6435 10.8441 10.8441 14.7107 14.7108 k = 0.0000 0.0000 0.1231 ( 4362 PWs) bands (ev): -13.9058 -13.9058 -13.8960 -13.8960 -9.3332 -9.3332 -9.2966 -9.2966 -2.7190 -2.7190 -2.6079 -2.6079 -2.4550 -2.4550 -2.4519 -2.4519 -2.0707 -2.0707 -2.0501 -2.0501 -1.5726 -1.5726 -1.5613 -1.5613 -1.4243 -1.4243 -1.4207 -1.4207 -0.3363 -0.3363 -0.2911 -0.2911 1.8799 1.8799 2.3691 2.3691 3.4139 3.4139 3.4576 3.4576 3.5108 3.5108 3.5449 3.5449 4.1242 4.1242 4.1475 4.1475 4.2088 4.2088 4.2222 4.2222 7.3434 7.3434 8.2600 8.2600 10.6769 10.6769 10.8410 10.8410 14.6986 14.6987 k = 0.0000 0.0000 0.1343 ( 4362 PWs) bands (ev): -13.9048 -13.9048 -13.8969 -13.8969 -9.3298 -9.3298 -9.3001 -9.3001 -2.7085 -2.7085 -2.6183 -2.6183 -2.4547 -2.4547 -2.4522 -2.4522 -2.0690 -2.0690 -2.0523 -2.0523 -1.5717 -1.5717 -1.5625 -1.5625 -1.4239 -1.4239 -1.4210 -1.4210 -0.3330 -0.3330 -0.2964 -0.2964 1.9246 1.9246 2.3210 2.3210 3.4221 3.4221 3.4651 3.4651 3.5006 3.5006 3.5358 3.5358 4.1333 4.1333 4.1554 4.1554 4.2018 4.2018 4.2159 4.2159 7.4235 7.4235 8.1636 8.1636 10.7071 10.7071 10.8362 10.8362 14.6898 14.6898 k = 0.0000 0.0000 0.1455 ( 4380 PWs) bands (ev): -13.9039 -13.9039 -13.8979 -13.8979 -9.3262 -9.3262 -9.3037 -9.3037 -2.6976 -2.6976 -2.6292 -2.6292 -2.4545 -2.4545 -2.4526 -2.4526 -2.0672 -2.0672 -2.0546 -2.0546 -1.5708 -1.5708 -1.5639 -1.5639 -1.4237 -1.4237 -1.4216 -1.4216 -0.3294 -0.3294 -0.3018 -0.3018 1.9712 1.9712 2.2715 2.2715 3.4308 3.4308 3.4730 3.4730 3.4902 3.4902 3.5265 3.5265 4.1424 4.1424 4.1634 4.1634 4.1942 4.1942 4.2092 4.2092 7.5076 7.5076 8.0666 8.0666 10.7342 10.7342 10.8296 10.8296 14.6845 14.6846 k = 0.0000 0.0000 0.1567 ( 4362 PWs) bands (ev): -13.9029 -13.9029 -13.8989 -13.8989 -9.3226 -9.3226 -9.3074 -9.3074 -2.6864 -2.6864 -2.6404 -2.6404 -2.4541 -2.4541 -2.4528 -2.4528 -2.0652 -2.0652 -2.0567 -2.0567 -1.5696 -1.5696 -1.5650 -1.5650 -1.4232 -1.4232 -1.4218 -1.4218 -0.3255 -0.3255 -0.3070 -0.3070 2.0195 2.0195 2.2211 2.2211 3.4400 3.4400 3.4798 3.4798 3.4813 3.4813 3.5172 3.5172 4.1516 4.1516 4.1715 4.1715 4.1863 4.1863 4.2022 4.2022 7.5952 7.5952 7.9697 7.9697 10.7579 10.7579 10.8208 10.8208 14.6827 14.6827 k = 0.0000 0.0000 0.1679 ( 4362 PWs) bands (ev): -13.9019 -13.9019 -13.8999 -13.8999 -9.3188 -9.3188 -9.3112 -9.3112 -2.6749 -2.6749 -2.6518 -2.6518 -2.4538 -2.4538 -2.4531 -2.4531 -2.0632 -2.0632 -2.0589 -2.0589 -1.5685 -1.5685 -1.5662 -1.5662 -1.4229 -1.4229 -1.4221 -1.4221 -0.3212 -0.3212 -0.3120 -0.3120 2.0690 2.0690 2.1703 2.1703 3.4495 3.4495 3.4695 3.4695 3.4899 3.4899 3.5080 3.5080 4.1606 4.1606 4.1780 4.1780 4.1794 4.1794 4.1949 4.1949 7.6857 7.6857 7.8735 7.8735 10.7782 10.7782 10.8095 10.8095 14.6847 14.6854 k = 0.0000 0.0000 0.1791 ( 4362 PWs) bands (ev): -13.9009 -13.9009 -13.9009 -13.9009 -9.3150 -9.3150 -9.3150 -9.3150 -2.6634 -2.6634 -2.6634 -2.6634 -2.4534 -2.4534 -2.4534 -2.4534 -2.0611 -2.0611 -2.0611 -2.0611 -1.5674 -1.5674 -1.5674 -1.5674 -1.4225 -1.4225 -1.4225 -1.4225 -0.3167 -0.3167 -0.3167 -0.3167 2.1194 2.1194 2.1194 2.1194 3.4594 3.4594 3.4594 3.4594 3.4989 3.4989 3.4989 3.4989 4.1694 4.1694 4.1694 4.1694 4.1873 4.1873 4.1873 4.1873 7.7787 7.7787 7.7787 7.7787 10.7954 10.7954 10.7954 10.7954 14.6892 14.6892 k = 0.0000 0.0000 0.1791 ( 4362 PWs) bands (ev): -13.9009 -13.9009 -13.9009 -13.9009 -9.3150 -9.3150 -9.3150 -9.3150 -2.6634 -2.6634 -2.6634 -2.6634 -2.4534 -2.4534 -2.4534 -2.4534 -2.0611 -2.0611 -2.0611 -2.0611 -1.5674 -1.5674 -1.5674 -1.5674 -1.4225 -1.4225 -1.4225 -1.4225 -0.3167 -0.3167 -0.3167 -0.3167 2.1194 2.1194 2.1194 2.1194 3.4594 3.4594 3.4594 3.4594 3.4989 3.4989 3.4989 3.4989 4.1694 4.1694 4.1694 4.1694 4.1873 4.1873 4.1873 4.1873 7.7787 7.7787 7.7787 7.7787 10.7954 10.7954 10.7954 10.7954 14.6892 14.6892 k = 0.0100 0.0058 0.1791 ( 4362 PWs) bands (ev): -13.9008 -13.9008 -13.9007 -13.9007 -9.3147 -9.3147 -9.3146 -9.3146 -2.6631 -2.6631 -2.6630 -2.6630 -2.4531 -2.4531 -2.4531 -2.4531 -2.0644 -2.0644 -2.0573 -2.0573 -1.5714 -1.5714 -1.5635 -1.5635 -1.4226 -1.4226 -1.4226 -1.4226 -0.3169 -0.3169 -0.3168 -0.3168 2.1188 2.1188 2.1200 2.1200 3.4565 3.4565 3.4590 3.4590 3.4975 3.4975 3.4976 3.4976 4.1675 4.1675 4.1679 4.1679 4.1861 4.1861 4.1861 4.1861 7.7811 7.7811 7.7826 7.7826 10.7979 10.7979 10.7995 10.7995 14.6452 14.6453 k = 0.0200 0.0115 0.1791 ( 4368 PWs) bands (ev): -13.9006 -13.9006 -13.9003 -13.9003 -9.3139 -9.3139 -9.3135 -9.3135 -2.6623 -2.6623 -2.6621 -2.6621 -2.4522 -2.4522 -2.4521 -2.4521 -2.0672 -2.0672 -2.0531 -2.0531 -1.5754 -1.5754 -1.5596 -1.5596 -1.4228 -1.4228 -1.4228 -1.4228 -0.3175 -0.3175 -0.3172 -0.3172 2.1182 2.1182 2.1206 2.1206 3.4502 3.4502 3.4555 3.4555 3.4936 3.4936 3.4941 3.4941 4.1615 4.1615 4.1622 4.1622 4.1833 4.1833 4.1833 4.1833 7.7900 7.7900 7.7930 7.7930 10.8072 10.8072 10.8104 10.8104 14.5816 14.5816 k = 0.0300 0.0173 0.1791 ( 4390 PWs) bands (ev): -13.9001 -13.9001 -13.8997 -13.8997 -9.3123 -9.3123 -9.3118 -9.3118 -2.6608 -2.6608 -2.6607 -2.6607 -2.4507 -2.4507 -2.4506 -2.4506 -2.0696 -2.0696 -2.0484 -2.0484 -1.5795 -1.5795 -1.5560 -1.5560 -1.4234 -1.4234 -1.4233 -1.4233 -0.3184 -0.3184 -0.3180 -0.3180 2.1176 2.1176 2.1212 2.1212 3.4402 3.4402 3.4487 3.4487 3.4873 3.4873 3.4886 3.4886 4.1500 4.1500 4.1509 4.1509 4.1803 4.1803 4.1804 4.1804 7.8052 7.8052 7.8097 7.8097 10.8231 10.8231 10.8279 10.8279 14.5064 14.5064 k = 0.0400 0.0231 0.1791 ( 4390 PWs) bands (ev): -13.8994 -13.8994 -13.8988 -13.8988 -9.3101 -9.3101 -9.3094 -9.3094 -2.6588 -2.6588 -2.6586 -2.6586 -2.4485 -2.4485 -2.4483 -2.4483 -2.0714 -2.0714 -2.0431 -2.0431 -1.5835 -1.5835 -1.5523 -1.5523 -1.4240 -1.4240 -1.4238 -1.4238 -0.3195 -0.3195 -0.3190 -0.3190 2.1169 2.1169 2.1217 2.1217 3.4263 3.4263 3.4382 3.4382 3.4790 3.4790 3.4815 3.4815 4.1332 4.1332 4.1341 4.1341 4.1774 4.1774 4.1778 4.1778 7.8265 7.8265 7.8324 7.8324 10.8454 10.8454 10.8518 10.8518 14.4236 14.4236 k = 0.0500 0.0289 0.1791 ( 4390 PWs) bands (ev): -13.8985 -13.8985 -13.8978 -13.8978 -9.3073 -9.3073 -9.3064 -9.3064 -2.6562 -2.6562 -2.6561 -2.6561 -2.4457 -2.4457 -2.4452 -2.4452 -2.0726 -2.0726 -2.0372 -2.0372 -1.5875 -1.5875 -1.5487 -1.5487 -1.4247 -1.4247 -1.4243 -1.4243 -0.3210 -0.3210 -0.3203 -0.3203 2.1161 2.1161 2.1219 2.1219 3.4086 3.4086 3.4238 3.4238 3.4692 3.4692 3.4730 3.4730 4.1113 4.1113 4.1120 4.1120 4.1746 4.1746 4.1752 4.1752 7.8537 7.8537 7.8610 7.8610 10.8739 10.8739 10.8820 10.8820 14.3357 14.3357 k = 0.0600 0.0346 0.1791 ( 4386 PWs) bands (ev): -13.8973 -13.8973 -13.8965 -13.8965 -9.3038 -9.3038 -9.3027 -9.3027 -2.6530 -2.6530 -2.6530 -2.6530 -2.4422 -2.4422 -2.4414 -2.4414 -2.0734 -2.0734 -2.0309 -2.0309 -1.5915 -1.5915 -1.5452 -1.5452 -1.4257 -1.4257 -1.4249 -1.4249 -0.3228 -0.3228 -0.3219 -0.3219 2.1151 2.1151 2.1220 2.1220 3.3870 3.3870 3.4052 3.4052 3.4581 3.4581 3.4631 3.4631 4.0850 4.0850 4.0854 4.0854 4.1716 4.1716 4.1724 4.1724 7.8865 7.8865 7.8951 7.8951 10.9082 10.9082 10.9181 10.9181 14.2441 14.2441 k = 0.0700 0.0404 0.1791 ( 4386 PWs) bands (ev): -13.8960 -13.8960 -13.8950 -13.8950 -9.2997 -9.2997 -9.2985 -9.2985 -2.6496 -2.6496 -2.6494 -2.6494 -2.4381 -2.4381 -2.4368 -2.4368 -2.0737 -2.0737 -2.0240 -2.0240 -1.5955 -1.5955 -1.5419 -1.5419 -1.4267 -1.4267 -1.4256 -1.4256 -0.3249 -0.3249 -0.3238 -0.3238 2.1137 2.1137 2.1216 2.1216 3.3620 3.3620 3.3827 3.3827 3.4459 3.4459 3.4519 3.4519 4.0547 4.0547 4.0547 4.0547 4.1683 4.1683 4.1693 4.1693 7.9245 7.9245 7.9343 7.9343 10.9480 10.9480 10.9597 10.9597 14.1502 14.1502 k = 0.0800 0.0462 0.1791 ( 4384 PWs) bands (ev): -13.8944 -13.8944 -13.8933 -13.8933 -9.2950 -9.2950 -9.2936 -9.2936 -2.6457 -2.6457 -2.6452 -2.6452 -2.4334 -2.4334 -2.4315 -2.4315 -2.0736 -2.0736 -2.0166 -2.0166 -1.5993 -1.5993 -1.5387 -1.5387 -1.4280 -1.4280 -1.4262 -1.4262 -0.3272 -0.3272 -0.3260 -0.3260 2.1120 2.1120 2.1207 2.1207 3.3338 3.3338 3.3564 3.3564 3.4326 3.4326 3.4394 3.4394 4.0203 4.0203 4.0209 4.0209 4.1648 4.1648 4.1660 4.1660 7.9673 7.9673 7.9784 7.9784 10.9927 10.9927 11.0065 11.0065 14.0552 14.0552 k = 0.0900 0.0520 0.1791 ( 4384 PWs) bands (ev): -13.8927 -13.8927 -13.8914 -13.8914 -9.2896 -9.2896 -9.2881 -9.2881 -2.6415 -2.6415 -2.6406 -2.6406 -2.4281 -2.4281 -2.4254 -2.4254 -2.0729 -2.0729 -2.0087 -2.0087 -1.6031 -1.6031 -1.5357 -1.5357 -1.4293 -1.4293 -1.4268 -1.4268 -0.3299 -0.3299 -0.3285 -0.3285 2.1096 2.1096 2.1191 2.1191 3.3028 3.3028 3.3268 3.3268 3.4179 3.4179 3.4254 3.4254 3.9827 3.9827 3.9842 3.9842 4.1610 4.1610 4.1624 4.1624 8.0146 8.0146 8.0268 8.0268 11.0419 11.0419 11.0579 11.0579 13.9599 13.9599 k = 0.1000 0.0577 0.1791 ( 4384 PWs) bands (ev): -13.8907 -13.8907 -13.8894 -13.8894 -9.2837 -9.2837 -9.2820 -9.2820 -2.6371 -2.6371 -2.6357 -2.6357 -2.4222 -2.4222 -2.4184 -2.4184 -2.0718 -2.0718 -2.0003 -2.0003 -1.6068 -1.6068 -1.5329 -1.5329 -1.4308 -1.4307 -1.4272 -1.4272 -0.3329 -0.3329 -0.3313 -0.3313 2.1065 2.1065 2.1166 2.1166 3.2693 3.2693 3.2942 3.2942 3.4020 3.4020 3.4100 3.4100 3.9424 3.9424 3.9451 3.9451 4.1570 4.1570 4.1585 4.1585 8.0659 8.0659 8.0792 8.0792 11.0949 11.0949 11.1133 11.1133 13.8655 13.8655 k = 0.1100 0.0635 0.1791 ( 4384 PWs) bands (ev): -13.8886 -13.8886 -13.8871 -13.8871 -9.2773 -9.2773 -9.2754 -9.2754 -2.6324 -2.6324 -2.6304 -2.6304 -2.4157 -2.4157 -2.4106 -2.4106 -2.0702 -2.0702 -1.9914 -1.9914 -1.6104 -1.6104 -1.5304 -1.5304 -1.4323 -1.4323 -1.4275 -1.4275 -0.3362 -0.3362 -0.3343 -0.3343 2.1024 2.1024 2.1130 2.1130 3.2337 3.2337 3.2589 3.2589 3.3848 3.3848 3.3932 3.3932 3.8999 3.8999 3.9039 3.9039 4.1527 4.1527 4.1545 4.1545 8.1209 8.1209 8.1352 8.1352 11.1510 11.1510 11.1722 11.1722 13.7726 13.7726 k = 0.1200 0.0693 0.1791 ( 4390 PWs) bands (ev): -13.8863 -13.8863 -13.8847 -13.8847 -9.2702 -9.2702 -9.2682 -9.2682 -2.6276 -2.6276 -2.6248 -2.6248 -2.4086 -2.4086 -2.4020 -2.4020 -2.0682 -2.0682 -1.9820 -1.9820 -1.6139 -1.6139 -1.5281 -1.5281 -1.4339 -1.4339 -1.4276 -1.4276 -0.3398 -0.3398 -0.3376 -0.3376 2.0971 2.0971 2.1079 2.1079 3.1965 3.1965 3.2213 3.2213 3.3663 3.3663 3.3750 3.3750 3.8557 3.8557 3.8614 3.8614 4.1483 4.1483 4.1503 4.1503 8.1790 8.1790 8.1942 8.1942 11.2094 11.2094 11.2336 11.2336 13.6823 13.6823 k = 0.1300 0.0751 0.1791 ( 4390 PWs) bands (ev): -13.8839 -13.8839 -13.8822 -13.8822 -9.2627 -9.2627 -9.2605 -9.2605 -2.6227 -2.6227 -2.6190 -2.6190 -2.4010 -2.4010 -2.3925 -2.3925 -2.0657 -2.0657 -1.9721 -1.9721 -1.6172 -1.6172 -1.5261 -1.5261 -1.4356 -1.4356 -1.4274 -1.4274 -0.3436 -0.3436 -0.3411 -0.3411 2.0905 2.0905 2.1013 2.1013 3.1579 3.1579 3.1818 3.1818 3.3465 3.3465 3.3555 3.3555 3.8104 3.8104 3.8179 3.8179 4.1438 4.1438 4.1459 4.1459 8.2399 8.2399 8.2560 8.2560 11.2692 11.2692 11.2968 11.2968 13.5955 13.5955 k = 0.1400 0.0808 0.1791 ( 4398 PWs) bands (ev): -13.8813 -13.8813 -13.8795 -13.8795 -9.2546 -9.2546 -9.2523 -9.2523 -2.6178 -2.6178 -2.6130 -2.6130 -2.3928 -2.3928 -2.3822 -2.3822 -2.0629 -2.0629 -1.9618 -1.9618 -1.6203 -1.6203 -1.5244 -1.5244 -1.4372 -1.4372 -1.4268 -1.4268 -0.3476 -0.3476 -0.3448 -0.3448 2.0821 2.0821 2.0926 2.0926 3.1183 3.1183 3.1406 3.1406 3.3255 3.3255 3.3346 3.3346 3.7643 3.7643 3.7740 3.7740 4.1392 4.1392 4.1415 4.1415 8.3032 8.3032 8.3200 8.3200 11.3293 11.3293 11.3607 11.3607 13.5132 13.5132 k = 0.1500 0.0866 0.1791 ( 4400 PWs) bands (ev): -13.8785 -13.8785 -13.8766 -13.8766 -9.2461 -9.2461 -9.2437 -9.2437 -2.6128 -2.6128 -2.6069 -2.6069 -2.3840 -2.3840 -2.3710 -2.3710 -2.0596 -2.0596 -1.9510 -1.9510 -1.6232 -1.6232 -1.5230 -1.5230 -1.4388 -1.4388 -1.4259 -1.4259 -0.3519 -0.3519 -0.3487 -0.3487 2.0717 2.0717 2.0817 2.0817 3.0780 3.0780 3.0982 3.0982 3.3033 3.3033 3.3124 3.3124 3.7182 3.7182 3.7303 3.7303 4.1345 4.1345 4.1370 4.1370 8.3684 8.3684 8.3858 8.3858 11.3885 11.3885 11.4244 11.4244 13.4363 13.4363 k = 0.1600 0.0924 0.1791 ( 4394 PWs) bands (ev): -13.8757 -13.8757 -13.8737 -13.8737 -9.2371 -9.2371 -9.2346 -9.2346 -2.6080 -2.6080 -2.6007 -2.6007 -2.3747 -2.3747 -2.3590 -2.3590 -2.0558 -2.0558 -1.9398 -1.9398 -1.6257 -1.6257 -1.5218 -1.5218 -1.4402 -1.4402 -1.4244 -1.4244 -0.3563 -0.3563 -0.3528 -0.3528 2.0591 2.0591 2.0681 2.0681 3.0374 3.0374 3.0548 3.0548 3.2799 3.2799 3.2889 3.2889 3.6725 3.6725 3.6871 3.6871 4.1297 4.1297 4.1324 4.1324 8.4352 8.4352 8.4531 8.4531 11.4455 11.4455 11.4864 11.4864 13.3662 13.3662 k = 0.1700 0.0981 0.1791 ( 4394 PWs) bands (ev): -13.8727 -13.8727 -13.8706 -13.8706 -9.2276 -9.2276 -9.2250 -9.2250 -2.6033 -2.6033 -2.5946 -2.5946 -2.3649 -2.3649 -2.3462 -2.3462 -2.0518 -2.0518 -1.9282 -1.9282 -1.6280 -1.6280 -1.5209 -1.5209 -1.4415 -1.4415 -1.4225 -1.4225 -0.3609 -0.3609 -0.3570 -0.3570 2.0439 2.0439 2.0517 2.0517 2.9967 2.9967 3.0108 3.0108 3.2554 3.2554 3.2644 3.2644 3.6278 3.6278 3.6450 3.6450 4.1250 4.1250 4.1279 4.1279 8.5031 8.5031 8.5214 8.5214 11.4988 11.4988 11.5455 11.5455 13.3038 13.3038 k = 0.1800 0.1039 0.1791 ( 4390 PWs) bands (ev): -13.8695 -13.8695 -13.8674 -13.8674 -9.2178 -9.2178 -9.2151 -9.2151 -2.5987 -2.5987 -2.5884 -2.5884 -2.3546 -2.3546 -2.3327 -2.3327 -2.0473 -2.0473 -1.9163 -1.9163 -1.6299 -1.6299 -1.5202 -1.5202 -1.4426 -1.4426 -1.4201 -1.4201 -0.3656 -0.3656 -0.3612 -0.3612 2.0258 2.0258 2.0321 2.0321 2.9561 2.9561 2.9663 2.9663 3.2300 3.2300 3.2387 3.2387 3.5846 3.5846 3.6046 3.6046 4.1202 4.1202 4.1233 4.1233 8.5717 8.5717 8.5904 8.5904 11.5470 11.5470 11.6001 11.6001 13.2505 13.2505 k = 0.1900 0.1097 0.1791 ( 4394 PWs) bands (ev): -13.8664 -13.8664 -13.8642 -13.8642 -9.2076 -9.2076 -9.2049 -9.2049 -2.5942 -2.5942 -2.5824 -2.5824 -2.3440 -2.3440 -2.3185 -2.3185 -2.0426 -2.0426 -1.9043 -1.9043 -1.6315 -1.6315 -1.5197 -1.5197 -1.4435 -1.4435 -1.4172 -1.4172 -0.3704 -0.3704 -0.3656 -0.3656 2.0048 2.0048 2.0091 2.0091 2.9157 2.9157 2.9216 2.9216 3.2036 3.2036 3.2120 3.2120 3.5435 3.5435 3.5662 3.5662 4.1155 4.1155 4.1187 4.1187 8.6407 8.6407 8.6595 8.6595 11.5885 11.5885 11.6485 11.6485 13.2072 13.2072 k = 0.2000 0.1155 0.1791 ( 4398 PWs) bands (ev): -13.8631 -13.8631 -13.8608 -13.8608 -9.1971 -9.1971 -9.1943 -9.1943 -2.5900 -2.5900 -2.5765 -2.5765 -2.3330 -2.3330 -2.3037 -2.3037 -2.0375 -2.0375 -1.8921 -1.8921 -1.6326 -1.6326 -1.5194 -1.5194 -1.4441 -1.4441 -1.4139 -1.4139 -0.3752 -0.3752 -0.3699 -0.3699 1.9805 1.9805 1.9826 1.9826 2.8754 2.8754 2.8768 2.8768 3.1765 3.1765 3.1845 3.1845 3.5051 3.5051 3.5303 3.5303 4.1108 4.1108 4.1142 4.1142 8.7095 8.7095 8.7285 8.7285 11.6220 11.6220 11.6894 11.6894 13.1748 13.1748 k = 0.2100 0.1212 0.1791 ( 4394 PWs) bands (ev): -13.8597 -13.8597 -13.8574 -13.8574 -9.1863 -9.1863 -9.1834 -9.1834 -2.5860 -2.5860 -2.5708 -2.5708 -2.3217 -2.3217 -2.2884 -2.2884 -2.0321 -2.0321 -1.8798 -1.8798 -1.6330 -1.6330 -1.5191 -1.5191 -1.4444 -1.4444 -1.4100 -1.4100 -0.3800 -0.3800 -0.3741 -0.3741 1.9526 1.9526 1.9530 1.9530 2.8320 2.8320 2.8352 2.8352 3.1486 3.1486 3.1562 3.1562 3.4697 3.4697 3.4973 3.4973 4.1062 4.1062 4.1098 4.1098 8.7779 8.7779 8.7969 8.7969 11.6466 11.6466 11.7214 11.7214 13.1538 13.1538 k = 0.2200 0.1270 0.1791 ( 4386 PWs) bands (ev): -13.8563 -13.8563 -13.8540 -13.8540 -9.1753 -9.1753 -9.1723 -9.1723 -2.5821 -2.5821 -2.5653 -2.5653 -2.3101 -2.3101 -2.2727 -2.2727 -2.0264 -2.0264 -1.8676 -1.8676 -1.6327 -1.6327 -1.5186 -1.5186 -1.4442 -1.4442 -1.4057 -1.4057 -0.3847 -0.3847 -0.3782 -0.3782 1.9191 1.9191 1.9221 1.9221 2.7873 2.7873 2.7949 2.7949 3.1200 3.1200 3.1274 3.1274 3.4378 3.4378 3.4675 3.4675 4.1016 4.1016 4.1054 4.1054 8.8455 8.8455 8.8644 8.8644 11.6619 11.6619 11.7437 11.7437 13.1437 13.1437 k = 0.2300 0.1328 0.1791 ( 4388 PWs) bands (ev): -13.8529 -13.8529 -13.8505 -13.8505 -9.1640 -9.1640 -9.1610 -9.1610 -2.5785 -2.5785 -2.5601 -2.5601 -2.2984 -2.2984 -2.2568 -2.2568 -2.0205 -2.0205 -1.8557 -1.8557 -1.6317 -1.6317 -1.5182 -1.5182 -1.4436 -1.4436 -1.4010 -1.4010 -0.3893 -0.3893 -0.3822 -0.3822 1.8822 1.8822 1.8879 1.8879 2.7426 2.7426 2.7545 2.7545 3.0910 3.0910 3.0980 3.0980 3.4097 3.4097 3.4410 3.4410 4.0972 4.0972 4.1011 4.1011 8.9117 8.9117 8.9304 8.9304 11.6681 11.6681 11.7563 11.7563 13.1397 13.1397 k = 0.2400 0.1386 0.1791 ( 4388 PWs) bands (ev): -13.8494 -13.8494 -13.8471 -13.8471 -9.1525 -9.1525 -9.1495 -9.1495 -2.5752 -2.5752 -2.5552 -2.5552 -2.2866 -2.2866 -2.2407 -2.2407 -2.0143 -2.0143 -1.8442 -1.8442 -1.6298 -1.6298 -1.5175 -1.5175 -1.4425 -1.4425 -1.3959 -1.3959 -0.3937 -0.3937 -0.3860 -0.3860 1.8421 1.8421 1.8506 1.8506 2.6981 2.6981 2.7137 2.7137 3.0616 3.0616 3.0683 3.0683 3.3856 3.3856 3.4182 3.4182 4.0928 4.0928 4.0969 4.0969 8.9763 8.9763 8.9946 8.9946 11.6662 11.6662 11.7597 11.7597 13.1403 13.1403 k = 0.2500 0.1443 0.1791 ( 4398 PWs) bands (ev): -13.8459 -13.8459 -13.8436 -13.8436 -9.1410 -9.1410 -9.1379 -9.1379 -2.5721 -2.5721 -2.5507 -2.5507 -2.2748 -2.2748 -2.2248 -2.2248 -2.0078 -2.0078 -1.8335 -1.8335 -1.6268 -1.6268 -1.5165 -1.5165 -1.4410 -1.4410 -1.3905 -1.3905 -0.3979 -0.3979 -0.3894 -0.3894 1.7992 1.7992 1.8104 1.8104 2.6537 2.6537 2.6724 2.6724 3.0319 3.0319 3.0383 3.0383 3.3655 3.3655 3.3990 3.3990 4.0886 4.0886 4.0927 4.0927 9.0387 9.0387 9.0567 9.0567 11.6574 11.6574 11.7550 11.7550 13.1479 13.1479 k = 0.2600 0.1501 0.1791 ( 4386 PWs) bands (ev): -13.8425 -13.8425 -13.8401 -13.8401 -9.1293 -9.1293 -9.1262 -9.1262 -2.5691 -2.5691 -2.5464 -2.5464 -2.2629 -2.2629 -2.2090 -2.2090 -2.0009 -2.0009 -1.8234 -1.8234 -1.6224 -1.6224 -1.5150 -1.5150 -1.4387 -1.4387 -1.3847 -1.3847 -0.4017 -0.4017 -0.3925 -0.3925 1.7538 1.7538 1.7676 1.7676 2.6095 2.6095 2.6308 2.6308 3.0020 3.0020 3.0083 3.0083 3.3495 3.3495 3.3833 3.3833 4.0845 4.0845 4.0887 4.0887 9.0987 9.0987 9.1162 9.1162 11.6434 11.6434 11.7439 11.7439 13.1602 13.1602 k = 0.2700 0.1559 0.1791 ( 4390 PWs) bands (ev): -13.8390 -13.8390 -13.8366 -13.8366 -9.1176 -9.1176 -9.1145 -9.1145 -2.5665 -2.5665 -2.5425 -2.5425 -2.2512 -2.2512 -2.1937 -2.1937 -1.9938 -1.9938 -1.8145 -1.8145 -1.6167 -1.6167 -1.5132 -1.5132 -1.4360 -1.4360 -1.3787 -1.3787 -0.4051 -0.4051 -0.3951 -0.3951 1.7063 1.7063 1.7225 1.7225 2.5655 2.5655 2.5886 2.5886 2.9722 2.9722 2.9784 2.9784 3.3373 3.3373 3.3711 3.3711 4.0805 4.0805 4.0847 4.0847 9.1557 9.1557 9.1726 9.1726 11.6258 11.6258 11.7282 11.7282 13.1746 13.1746 k = 0.2800 0.1617 0.1791 ( 4384 PWs) bands (ev): -13.8355 -13.8355 -13.8332 -13.8332 -9.1059 -9.1059 -9.1028 -9.1028 -2.5640 -2.5640 -2.5390 -2.5390 -2.2397 -2.2397 -2.1789 -2.1789 -1.9863 -1.9863 -1.8068 -1.8068 -1.6094 -1.6094 -1.5107 -1.5107 -1.4326 -1.4326 -1.3725 -1.3725 -0.4081 -0.4081 -0.3973 -0.3973 1.6570 1.6570 1.6754 1.6754 2.5217 2.5217 2.5462 2.5462 2.9424 2.9424 2.9485 2.9485 3.3288 3.3288 3.3621 3.3621 4.0766 4.0766 4.0809 4.0809 9.2095 9.2095 9.2258 9.2258 11.6063 11.6063 11.7095 11.7095 13.1888 13.1888 k = 0.2900 0.1674 0.1791 ( 4376 PWs) bands (ev): -13.8321 -13.8321 -13.8298 -13.8298 -9.0942 -9.0942 -9.0911 -9.0911 -2.5617 -2.5617 -2.5359 -2.5359 -2.2284 -2.2284 -2.1648 -2.1648 -1.9784 -1.9784 -1.8003 -1.8003 -1.6005 -1.6005 -1.5076 -1.5076 -1.4286 -1.4286 -1.3660 -1.3660 -0.4106 -0.4106 -0.3989 -0.3989 1.6064 1.6064 1.6268 1.6268 2.4783 2.4783 2.5036 2.5036 2.9128 2.9128 2.9189 2.9189 3.3236 3.3236 3.3561 3.3561 4.0729 4.0729 4.0772 4.0772 9.2596 9.2596 9.2752 9.2752 11.5863 11.5863 11.6895 11.6895 13.2010 13.2010 k = 0.3000 0.1732 0.1791 ( 4376 PWs) bands (ev): -13.8288 -13.8288 -13.8265 -13.8265 -9.0826 -9.0826 -9.0796 -9.0796 -2.5596 -2.5596 -2.5331 -2.5331 -2.2174 -2.2174 -2.1518 -2.1518 -1.9701 -1.9701 -1.7952 -1.7952 -1.5901 -1.5901 -1.5038 -1.5038 -1.4242 -1.4242 -1.3595 -1.3595 -0.4126 -0.4126 -0.4000 -0.4000 1.5547 1.5547 1.5769 1.5769 2.4355 2.4355 2.4611 2.4611 2.8836 2.8836 2.8897 2.8897 3.3213 3.3213 3.3527 3.3527 4.0693 4.0693 4.0737 4.0737 9.3057 9.3057 9.3207 9.3207 11.5669 11.5669 11.6694 11.6694 13.2100 13.2100 k = 0.3100 0.1790 0.1791 ( 4380 PWs) bands (ev): -13.8255 -13.8255 -13.8233 -13.8233 -9.0712 -9.0712 -9.0683 -9.0683 -2.5578 -2.5578 -2.5308 -2.5308 -2.2069 -2.2069 -2.1399 -2.1399 -1.9614 -1.9614 -1.7914 -1.7914 -1.5783 -1.5783 -1.4994 -1.4994 -1.4191 -1.4191 -1.3529 -1.3529 -0.4139 -0.4139 -0.4004 -0.4004 1.5025 1.5025 1.5262 1.5262 2.3933 2.3933 2.4188 2.4188 2.8548 2.8548 2.8609 2.8609 3.3215 3.3215 3.3518 3.3518 4.0659 4.0659 4.0702 4.0702 9.3477 9.3477 9.3620 9.3620 11.5490 11.5490 11.6502 11.6502 13.2150 13.2150 k = 0.3200 0.1848 0.1791 ( 4374 PWs) bands (ev): -13.8223 -13.8223 -13.8202 -13.8202 -9.0600 -9.0600 -9.0571 -9.0571 -2.5560 -2.5560 -2.5289 -2.5289 -2.1966 -2.1966 -2.1292 -2.1292 -1.9524 -1.9524 -1.7887 -1.7887 -1.5653 -1.5653 -1.4942 -1.4942 -1.4136 -1.4136 -1.3462 -1.3462 -0.4146 -0.4146 -0.4002 -0.4002 1.4499 1.4499 1.4751 1.4751 2.3520 2.3520 2.3772 2.3772 2.8266 2.8266 2.8327 2.8327 3.3240 3.3240 3.3529 3.3529 4.0626 4.0626 4.0669 4.0669 9.3853 9.3853 9.3988 9.3988 11.5335 11.5335 11.6327 11.6327 13.2162 13.2162 k = 0.3300 0.1905 0.1791 ( 4380 PWs) bands (ev): -13.8192 -13.8192 -13.8171 -13.8171 -9.0490 -9.0490 -9.0462 -9.0462 -2.5546 -2.5546 -2.5274 -2.5274 -2.1869 -2.1869 -2.1198 -2.1198 -1.9430 -1.9430 -1.7871 -1.7871 -1.5512 -1.5512 -1.4882 -1.4882 -1.4076 -1.4076 -1.3397 -1.3397 -0.4145 -0.4145 -0.3992 -0.3992 1.3975 1.3975 1.4238 1.4238 2.3118 2.3118 2.3363 2.3363 2.7991 2.7991 2.8051 2.8051 3.3283 3.3283 3.3557 3.3557 4.0595 4.0595 4.0637 4.0637 9.4184 9.4184 9.4313 9.4313 11.5208 11.5208 11.6176 11.6176 13.2138 13.2138 k = 0.3400 0.1963 0.1791 ( 4380 PWs) bands (ev): -13.8162 -13.8162 -13.8142 -13.8142 -9.0384 -9.0384 -9.0356 -9.0356 -2.5532 -2.5532 -2.5262 -2.5262 -2.1776 -2.1776 -2.1116 -2.1116 -1.9334 -1.9334 -1.7863 -1.7863 -1.5364 -1.5364 -1.4815 -1.4815 -1.4011 -1.4011 -1.3332 -1.3332 -0.4138 -0.4138 -0.3976 -0.3976 1.3455 1.3455 1.3727 1.3727 2.2727 2.2727 2.2963 2.2963 2.7725 2.7725 2.7784 2.7784 3.3342 3.3342 3.3600 3.3600 4.0565 4.0565 4.0606 4.0606 9.4470 9.4470 9.4592 9.4592 11.5111 11.5111 11.6050 11.6050 13.2085 13.2085 k = 0.3500 0.2021 0.1791 ( 4374 PWs) bands (ev): -13.8134 -13.8134 -13.8114 -13.8114 -9.0280 -9.0280 -9.0254 -9.0254 -2.5520 -2.5520 -2.5254 -2.5254 -2.1688 -2.1688 -2.1047 -2.1047 -1.9237 -1.9237 -1.7861 -1.7861 -1.5210 -1.5210 -1.4740 -1.4740 -1.3943 -1.3943 -1.3269 -1.3269 -0.4122 -0.4122 -0.3953 -0.3953 1.2942 1.2942 1.3221 1.3221 2.2350 2.2350 2.2577 2.2577 2.7468 2.7468 2.7526 2.7526 3.3412 3.3412 3.3654 3.3654 4.0538 4.0538 4.0577 4.0577 9.4713 9.4713 9.4829 9.4829 11.5046 11.5046 11.5951 11.5951 13.2013 13.2013 k = 0.3600 0.2078 0.1791 ( 4382 PWs) bands (ev): -13.8106 -13.8106 -13.8088 -13.8088 -9.0181 -9.0181 -9.0156 -9.0156 -2.5509 -2.5509 -2.5250 -2.5250 -2.1606 -2.1606 -2.0990 -2.0990 -1.9140 -1.9140 -1.7866 -1.7866 -1.5054 -1.5054 -1.4660 -1.4660 -1.3874 -1.3874 -1.3209 -1.3209 -0.4099 -0.4099 -0.3922 -0.3922 1.2440 1.2440 1.2723 1.2723 2.1988 2.1988 2.2204 2.2204 2.7221 2.7221 2.7277 2.7277 3.3491 3.3491 3.3716 3.3716 4.0511 4.0511 4.0550 4.0550 9.4914 9.4914 9.5023 9.5023 11.5012 11.5012 11.5879 11.5879 13.1928 13.1928 k = 0.3700 0.2136 0.1791 ( 4386 PWs) bands (ev): -13.8080 -13.8080 -13.8063 -13.8063 -9.0086 -9.0086 -9.0062 -9.0062 -2.5499 -2.5499 -2.5249 -2.5249 -2.1529 -2.1529 -2.0944 -2.0944 -1.9045 -1.9045 -1.7876 -1.7876 -1.4897 -1.4897 -1.4575 -1.4575 -1.3802 -1.3802 -1.3152 -1.3152 -0.4069 -0.4069 -0.3886 -0.3886 1.1952 1.1952 1.2238 1.2238 2.1644 2.1644 2.1849 2.1849 2.6986 2.6986 2.7040 2.7040 3.3577 3.3577 3.3785 3.3785 4.0487 4.0487 4.0524 4.0524 9.5075 9.5075 9.5179 9.5179 11.5008 11.5008 11.5831 11.5831 13.1839 13.1839 k = 0.3800 0.2194 0.1791 ( 4386 PWs) bands (ev): -13.8055 -13.8055 -13.8039 -13.8039 -8.9996 -8.9996 -8.9973 -8.9973 -2.5490 -2.5490 -2.5251 -2.5251 -2.1456 -2.1456 -2.0908 -2.0908 -1.8951 -1.8951 -1.7889 -1.7889 -1.4742 -1.4742 -1.4485 -1.4485 -1.3729 -1.3729 -1.3099 -1.3099 -0.4031 -0.4031 -0.3843 -0.3843 1.1482 1.1482 1.1766 1.1766 2.1319 2.1319 2.1511 2.1511 2.6764 2.6764 2.6816 2.6816 3.3666 3.3666 3.3858 3.3858 4.0464 4.0464 4.0499 4.0499 9.5201 9.5201 9.5299 9.5299 11.5029 11.5029 11.5806 11.5806 13.1752 13.1752 k = 0.3900 0.2252 0.1791 ( 4382 PWs) bands (ev): -13.8032 -13.8032 -13.8017 -13.8017 -8.9911 -8.9911 -8.9890 -8.9890 -2.5482 -2.5482 -2.5255 -2.5255 -2.1388 -2.1388 -2.0881 -2.0881 -1.8861 -1.8861 -1.7904 -1.7904 -1.4590 -1.4590 -1.4392 -1.4392 -1.3655 -1.3655 -1.3050 -1.3050 -0.3986 -0.3986 -0.3796 -0.3796 1.1032 1.1032 1.1313 1.1313 2.1015 2.1015 2.1193 2.1193 2.6556 2.6556 2.6604 2.6604 3.3757 3.3757 3.3932 3.3932 4.0444 4.0444 4.0476 4.0476 9.5296 9.5296 9.5387 9.5387 11.5073 11.5073 11.5798 11.5798 13.1674 13.1674 k = 0.4000 0.2309 0.1791 ( 4380 PWs) bands (ev): -13.8011 -13.8011 -13.7997 -13.7997 -8.9832 -8.9832 -8.9812 -8.9812 -2.5475 -2.5475 -2.5262 -2.5262 -2.1326 -2.1326 -2.0861 -2.0861 -1.8775 -1.8775 -1.7922 -1.7922 -1.4444 -1.4444 -1.4298 -1.4298 -1.3583 -1.3583 -1.3007 -1.3007 -0.3935 -0.3935 -0.3745 -0.3745 1.0606 1.0606 1.0880 1.0880 2.0732 2.0732 2.0896 2.0896 2.6362 2.6362 2.6408 2.6408 3.3847 3.3847 3.4006 3.4006 4.0425 4.0425 4.0455 4.0455 9.5364 9.5364 9.5448 9.5448 11.5134 11.5134 11.5805 11.5805 13.1607 13.1607 k = 0.4100 0.2367 0.1791 ( 4372 PWs) bands (ev): -13.7991 -13.7991 -13.7978 -13.7978 -8.9759 -8.9759 -8.9741 -8.9741 -2.5467 -2.5467 -2.5271 -2.5271 -2.1268 -2.1268 -2.0847 -2.0847 -1.8694 -1.8694 -1.7941 -1.7941 -1.4305 -1.4305 -1.4204 -1.4204 -1.3510 -1.3510 -1.2969 -1.2969 -0.3879 -0.3879 -0.3692 -0.3692 1.0208 1.0208 1.0471 1.0471 2.0473 2.0473 2.0623 2.0623 2.6184 2.6184 2.6226 2.6226 3.3934 3.3934 3.4077 3.4077 4.0408 4.0408 4.0436 4.0436 9.5409 9.5409 9.5487 9.5487 11.5208 11.5208 11.5821 11.5821 13.1554 13.1554 k = 0.4200 0.2425 0.1791 ( 4376 PWs) bands (ev): -13.7973 -13.7973 -13.7961 -13.7961 -8.9692 -8.9692 -8.9676 -8.9676 -2.5460 -2.5460 -2.5282 -2.5282 -2.1215 -2.1215 -2.0841 -2.0841 -1.8619 -1.8619 -1.7962 -1.7962 -1.4177 -1.4177 -1.4114 -1.4114 -1.3440 -1.3440 -1.2938 -1.2938 -0.3819 -0.3819 -0.3639 -0.3639 0.9842 0.9842 1.0090 1.0090 2.0238 2.0238 2.0373 2.0373 2.6023 2.6023 2.6061 2.6061 3.4018 3.4018 3.4144 3.4144 4.0393 4.0393 4.0418 4.0418 9.5436 9.5436 9.5507 9.5507 11.5291 11.5291 11.5843 11.5843 13.1516 13.1516 k = 0.4300 0.2483 0.1791 ( 4360 PWs) bands (ev): -13.7957 -13.7957 -13.7946 -13.7946 -8.9632 -8.9632 -8.9618 -8.9618 -2.5452 -2.5452 -2.5293 -2.5293 -2.1165 -2.1165 -2.0838 -2.0838 -1.8547 -1.8547 -1.7984 -1.7984 -1.4060 -1.4060 -1.4027 -1.4027 -1.3371 -1.3371 -1.2914 -1.2914 -0.3757 -0.3757 -0.3586 -0.3586 0.9510 0.9510 0.9740 0.9740 2.0030 2.0030 2.0149 2.0149 2.5878 2.5878 2.5913 2.5913 3.4096 3.4096 3.4206 3.4206 4.0380 4.0380 4.0402 4.0402 9.5449 9.5449 9.5513 9.5513 11.5378 11.5378 11.5867 11.5867 13.1493 13.1493 k = 0.4400 0.2540 0.1791 ( 4358 PWs) bands (ev): -13.7942 -13.7942 -13.7934 -13.7934 -8.9580 -8.9580 -8.9568 -8.9568 -2.5444 -2.5444 -2.5306 -2.5306 -2.1121 -2.1121 -2.0841 -2.0841 -1.8482 -1.8482 -1.8007 -1.8007 -1.3958 -1.3958 -1.3947 -1.3947 -1.3305 -1.3305 -1.2899 -1.2899 -0.3694 -0.3694 -0.3538 -0.3538 0.9216 0.9216 0.9424 0.9424 1.9848 1.9848 1.9951 1.9951 2.5752 2.5752 2.5782 2.5782 3.4167 3.4167 3.4262 3.4262 4.0369 4.0369 4.0388 4.0388 9.5453 9.5453 9.5509 9.5509 11.5466 11.5466 11.5889 11.5889 13.1483 13.1483 k = 0.4500 0.2598 0.1791 ( 4358 PWs) bands (ev): -13.7930 -13.7930 -13.7923 -13.7923 -8.9535 -8.9535 -8.9524 -8.9524 -2.5436 -2.5436 -2.5319 -2.5319 -2.1080 -2.1080 -2.0847 -2.0847 -1.8421 -1.8421 -1.8032 -1.8032 -1.3875 -1.3875 -1.3870 -1.3870 -1.3241 -1.3241 -1.2891 -1.2891 -0.3633 -0.3633 -0.3495 -0.3495 0.8964 0.8964 0.9145 0.9145 1.9694 1.9694 1.9781 1.9781 2.5645 2.5645 2.5670 2.5670 3.4231 3.4231 3.4309 3.4309 4.0359 4.0359 4.0376 4.0376 9.5451 9.5451 9.5498 9.5498 11.5551 11.5551 11.5906 11.5906 13.1484 13.1484 k = 0.4600 0.2656 0.1791 ( 4356 PWs) bands (ev): -13.7920 -13.7920 -13.7914 -13.7914 -8.9497 -8.9497 -8.9489 -8.9489 -2.5427 -2.5427 -2.5333 -2.5333 -2.1043 -2.1043 -2.0857 -2.0857 -1.8366 -1.8366 -1.8059 -1.8059 -1.3812 -1.3812 -1.3799 -1.3799 -1.3180 -1.3180 -1.2892 -1.2892 -0.3576 -0.3576 -0.3460 -0.3460 0.8757 0.8757 0.8908 0.8908 1.9568 1.9568 1.9638 1.9638 2.5557 2.5557 2.5577 2.5577 3.4285 3.4285 3.4348 3.4348 4.0352 4.0352 4.0365 4.0365 9.5446 9.5446 9.5484 9.5484 11.5631 11.5631 11.5917 11.5917 13.1492 13.1492 k = 0.4700 0.2714 0.1791 ( 4364 PWs) bands (ev): -13.7912 -13.7912 -13.7907 -13.7907 -8.9468 -8.9468 -8.9461 -8.9461 -2.5419 -2.5419 -2.5347 -2.5347 -2.1010 -2.1010 -2.0870 -2.0870 -1.8316 -1.8316 -1.8088 -1.8088 -1.3761 -1.3761 -1.3745 -1.3745 -1.3123 -1.3123 -1.2902 -1.2902 -0.3525 -0.3525 -0.3434 -0.3434 0.8598 0.8598 0.8714 0.8714 1.9472 1.9472 1.9525 1.9525 2.5488 2.5488 2.5504 2.5504 3.4330 3.4330 3.4377 3.4377 4.0347 4.0347 4.0357 4.0357 9.5441 9.5441 9.5470 9.5470 11.5703 11.5703 11.5918 11.5918 13.1506 13.1506 k = 0.4800 0.2771 0.1791 ( 4362 PWs) bands (ev): -13.7906 -13.7906 -13.7903 -13.7903 -8.9446 -8.9446 -8.9442 -8.9442 -2.5408 -2.5408 -2.5360 -2.5360 -2.0979 -2.0979 -2.0886 -2.0886 -1.8269 -1.8269 -1.8118 -1.8118 -1.3722 -1.3722 -1.3708 -1.3708 -1.3070 -1.3070 -1.2920 -1.2920 -0.3482 -0.3482 -0.3420 -0.3420 0.8489 0.8489 0.8568 0.8568 1.9406 1.9406 1.9441 1.9441 2.5440 2.5440 2.5450 2.5450 3.4365 3.4365 3.4396 3.4396 4.0344 4.0344 4.0350 4.0350 9.5437 9.5437 9.5456 9.5456 11.5766 11.5766 11.5910 11.5910 13.1521 13.1521 k = 0.4900 0.2829 0.1791 ( 4352 PWs) bands (ev): -13.7902 -13.7902 -13.7900 -13.7900 -8.9433 -8.9433 -8.9431 -8.9431 -2.5397 -2.5397 -2.5373 -2.5373 -2.0951 -2.0951 -2.0905 -2.0905 -1.8226 -1.8226 -1.8151 -1.8151 -1.3695 -1.3695 -1.3687 -1.3687 -1.3021 -1.3021 -1.2945 -1.2945 -0.3448 -0.3448 -0.3417 -0.3417 0.8431 0.8431 0.8471 0.8471 1.9369 1.9369 1.9387 1.9387 2.5412 2.5412 2.5417 2.5417 3.4389 3.4389 3.4405 3.4405 4.0342 4.0342 4.0346 4.0346 9.5436 9.5436 9.5446 9.5446 11.5819 11.5819 11.5891 11.5891 13.1535 13.1535 k = 0.5000 0.2887 0.1791 ( 4348 PWs) bands (ev): -13.7900 -13.7900 -13.7900 -13.7900 -8.9428 -8.9428 -8.9428 -8.9428 -2.5385 -2.5385 -2.5385 -2.5385 -2.0926 -2.0926 -2.0926 -2.0926 -1.8186 -1.8186 -1.8186 -1.8186 -1.3683 -1.3683 -1.3683 -1.3683 -1.2979 -1.2979 -1.2979 -1.2979 -0.3426 -0.3426 -0.3426 -0.3426 0.8425 0.8425 0.8425 0.8425 1.9363 1.9363 1.9363 1.9363 2.5404 2.5404 2.5404 2.5404 3.4402 3.4402 3.4402 3.4402 4.0343 4.0343 4.0343 4.0343 9.5439 9.5439 9.5439 9.5439 11.5861 11.5861 11.5861 11.5861 13.1547 13.1547 k = 0.5000 0.2887 0.1791 ( 4348 PWs) bands (ev): -13.7900 -13.7900 -13.7900 -13.7900 -8.9428 -8.9428 -8.9428 -8.9428 -2.5385 -2.5385 -2.5385 -2.5385 -2.0926 -2.0926 -2.0926 -2.0926 -1.8186 -1.8186 -1.8186 -1.8186 -1.3683 -1.3683 -1.3683 -1.3683 -1.2979 -1.2979 -1.2979 -1.2979 -0.3426 -0.3426 -0.3426 -0.3426 0.8425 0.8425 0.8425 0.8425 1.9363 1.9363 1.9363 1.9363 2.5404 2.5404 2.5404 2.5404 3.4402 3.4402 3.4402 3.4402 4.0343 4.0343 4.0343 4.0343 9.5439 9.5439 9.5439 9.5439 11.5861 11.5861 11.5861 11.5861 13.1547 13.1547 k = 0.4943 0.2986 0.1791 ( 4352 PWs) bands (ev): -13.7901 -13.7901 -13.7898 -13.7898 -8.9427 -8.9427 -8.9425 -8.9425 -2.5423 -2.5423 -2.5338 -2.5338 -2.0946 -2.0946 -2.0907 -2.0907 -1.8240 -1.8240 -1.8134 -1.8134 -1.3693 -1.3693 -1.3678 -1.3678 -1.3060 -1.3060 -1.2907 -1.2907 -0.3498 -0.3498 -0.3337 -0.3337 0.8416 0.8416 0.8432 0.8432 1.9361 1.9361 1.9374 1.9374 2.5342 2.5342 2.5423 2.5423 3.4371 3.4371 3.4429 3.4429 4.0322 4.0322 4.0342 4.0342 9.5455 9.5455 9.5467 9.5467 11.5884 11.5884 11.5906 11.5906 13.1536 13.1536 k = 0.4885 0.3086 0.1791 ( 4352 PWs) bands (ev): -13.7901 -13.7901 -13.7896 -13.7896 -8.9424 -8.9424 -8.9421 -8.9421 -2.5449 -2.5449 -2.5281 -2.5281 -2.0966 -2.0966 -2.0888 -2.0888 -1.8294 -1.8294 -1.8081 -1.8081 -1.3709 -1.3709 -1.3679 -1.3679 -1.3144 -1.3144 -1.2842 -1.2842 -0.3551 -0.3551 -0.3231 -0.3231 0.8406 0.8406 0.8437 0.8437 1.9369 1.9369 1.9396 1.9396 2.5238 2.5238 2.5398 2.5398 3.4336 3.4336 3.4449 3.4449 4.0280 4.0280 4.0321 4.0321 9.5515 9.5515 9.5538 9.5538 11.5974 11.5974 11.6018 11.6018 13.1527 13.1527 k = 0.4828 0.3185 0.1791 ( 4360 PWs) bands (ev): -13.7900 -13.7900 -13.7894 -13.7894 -8.9419 -8.9419 -8.9413 -8.9413 -2.5467 -2.5467 -2.5214 -2.5214 -2.0986 -2.0986 -2.0870 -2.0870 -1.8348 -1.8348 -1.8029 -1.8029 -1.3732 -1.3732 -1.3685 -1.3685 -1.3230 -1.3230 -1.2787 -1.2787 -0.3585 -0.3585 -0.3109 -0.3109 0.8395 0.8395 0.8440 0.8440 1.9386 1.9386 1.9426 1.9426 2.5095 2.5095 2.5332 2.5332 3.4293 3.4293 3.4460 3.4460 4.0220 4.0220 4.0280 4.0280 9.5618 9.5618 9.5652 9.5652 11.6130 11.6130 11.6197 11.6197 13.1518 13.1518 k = 0.4770 0.3285 0.1791 ( 4364 PWs) bands (ev): -13.7899 -13.7899 -13.7890 -13.7890 -8.9410 -8.9410 -8.9403 -8.9403 -2.5476 -2.5476 -2.5137 -2.5137 -2.1005 -2.1005 -2.0852 -2.0852 -1.8403 -1.8403 -1.7977 -1.7977 -1.3763 -1.3763 -1.3697 -1.3697 -1.3313 -1.3313 -1.2741 -1.2741 -0.3600 -0.3600 -0.2972 -0.2972 0.8381 0.8381 0.8441 0.8441 1.9411 1.9411 1.9465 1.9465 2.4916 2.4916 2.5226 2.5226 3.4241 3.4241 3.4457 3.4457 4.0145 4.0145 4.0224 4.0224 9.5762 9.5762 9.5807 9.5807 11.6350 11.6350 11.6441 11.6441 13.1510 13.1510 k = 0.4713 0.3384 0.1791 ( 4368 PWs) bands (ev): -13.7898 -13.7898 -13.7886 -13.7886 -8.9400 -8.9400 -8.9391 -8.9391 -2.5475 -2.5475 -2.5049 -2.5049 -2.1025 -2.1025 -2.0835 -2.0835 -1.8459 -1.8459 -1.7925 -1.7925 -1.3807 -1.3807 -1.3714 -1.3714 -1.3387 -1.3387 -1.2707 -1.2707 -0.3597 -0.3597 -0.2822 -0.2822 0.8366 0.8366 0.8440 0.8440 1.9446 1.9446 1.9512 1.9512 2.4705 2.4705 2.5084 2.5084 3.4174 3.4174 3.4435 3.4435 4.0060 4.0060 4.0156 4.0156 9.5946 9.5946 9.6002 9.6002 11.6630 11.6630 11.6747 11.6747 13.1502 13.1502 k = 0.4655 0.3484 0.1791 ( 4358 PWs) bands (ev): -13.7895 -13.7895 -13.7882 -13.7882 -8.9387 -8.9387 -8.9376 -8.9376 -2.5465 -2.5465 -2.4951 -2.4951 -2.1043 -2.1043 -2.0818 -2.0818 -1.8515 -1.8515 -1.7872 -1.7872 -1.3865 -1.3865 -1.3736 -1.3736 -1.3449 -1.3449 -1.2682 -1.2682 -0.3574 -0.3574 -0.2660 -0.2660 0.8349 0.8349 0.8437 0.8437 1.9487 1.9487 1.9567 1.9567 2.4468 2.4468 2.4911 2.4911 3.4088 3.4088 3.4389 3.4389 3.9970 3.9970 4.0082 4.0082 9.6168 9.6168 9.6234 9.6234 11.6968 11.6968 11.7111 11.7111 13.1494 13.1494 k = 0.4598 0.3584 0.1791 ( 4358 PWs) bands (ev): -13.7892 -13.7892 -13.7877 -13.7877 -8.9372 -8.9372 -8.9360 -8.9360 -2.5448 -2.5448 -2.4844 -2.4844 -2.1061 -2.1061 -2.0802 -2.0802 -1.8574 -1.8574 -1.7820 -1.7820 -1.3940 -1.3940 -1.3762 -1.3762 -1.3498 -1.3498 -1.2667 -1.2667 -0.3535 -0.3535 -0.2487 -0.2487 0.8331 0.8331 0.8432 0.8432 1.9535 1.9535 1.9627 1.9627 2.4210 2.4210 2.4711 2.4711 3.3977 3.3977 3.4311 3.4311 3.9882 3.9882 4.0006 4.0006 9.6424 9.6424 9.6499 9.6499 11.7358 11.7358 11.7529 11.7529 13.1483 13.1483 k = 0.4540 0.3683 0.1791 ( 4356 PWs) bands (ev): -13.7889 -13.7889 -13.7871 -13.7871 -8.9354 -8.9354 -8.9341 -8.9341 -2.5423 -2.5423 -2.4727 -2.4727 -2.1080 -2.1080 -2.0788 -2.0788 -1.8634 -1.8634 -1.7768 -1.7768 -1.4027 -1.4027 -1.3791 -1.3791 -1.3536 -1.3536 -1.2661 -1.2661 -0.3478 -0.3478 -0.2306 -0.2306 0.8310 0.8310 0.8424 0.8424 1.9587 1.9587 1.9691 1.9691 2.3937 2.3937 2.4492 2.4492 3.3836 3.3836 3.4196 3.4196 3.9801 3.9801 3.9934 3.9934 9.6712 9.6712 9.6795 9.6795 11.7795 11.7795 11.7997 11.7997 13.1468 13.1469 k = 0.4483 0.3783 0.1791 ( 4344 PWs) bands (ev): -13.7885 -13.7885 -13.7865 -13.7865 -8.9335 -8.9335 -8.9320 -8.9320 -2.5391 -2.5391 -2.4600 -2.4600 -2.1097 -2.1097 -2.0775 -2.0775 -1.8695 -1.8695 -1.7715 -1.7715 -1.4121 -1.4121 -1.3822 -1.3822 -1.3567 -1.3567 -1.2665 -1.2665 -0.3406 -0.3406 -0.2116 -0.2116 0.8288 0.8288 0.8414 0.8414 1.9642 1.9642 1.9755 1.9755 2.3658 2.3658 2.4258 2.4258 3.3661 3.3661 3.4040 3.4040 3.9732 3.9732 3.9872 3.9872 9.7029 9.7029 9.7119 9.7119 11.8273 11.8273 11.8509 11.8509 13.1449 13.1449 k = 0.4425 0.3882 0.1791 ( 4344 PWs) bands (ev): -13.7880 -13.7880 -13.7859 -13.7859 -8.9314 -8.9314 -8.9298 -8.9298 -2.5353 -2.5353 -2.4466 -2.4466 -2.1114 -2.1114 -2.0764 -2.0764 -1.8760 -1.8760 -1.7663 -1.7663 -1.4219 -1.4219 -1.3855 -1.3855 -1.3594 -1.3594 -1.2676 -1.2676 -0.3321 -0.3321 -0.1922 -0.1922 0.8263 0.8263 0.8401 0.8401 1.9696 1.9696 1.9817 1.9817 2.3379 2.3379 2.4018 2.4018 3.3450 3.3450 3.3842 3.3842 3.9680 3.9680 3.9821 3.9821 9.7369 9.7369 9.7466 9.7466 11.8784 11.8784 11.9057 11.9057 13.1423 13.1423 k = 0.4368 0.3982 0.1791 ( 4352 PWs) bands (ev): -13.7876 -13.7876 -13.7852 -13.7852 -8.9292 -8.9292 -8.9274 -8.9274 -2.5310 -2.5310 -2.4323 -2.4323 -2.1132 -2.1132 -2.0755 -2.0755 -1.8828 -1.8828 -1.7612 -1.7612 -1.4317 -1.4317 -1.3890 -1.3890 -1.3619 -1.3619 -1.2695 -1.2695 -0.3223 -0.3223 -0.1722 -0.1722 0.8237 0.8237 0.8384 0.8384 1.9745 1.9745 1.9870 1.9870 2.3110 2.3110 2.3778 2.3778 3.3202 3.3202 3.3600 3.3600 3.9645 3.9645 3.9784 3.9784 9.7730 9.7730 9.7832 9.7832 11.9320 11.9320 11.9635 11.9635 13.1389 13.1390 k = 0.4310 0.4081 0.1791 ( 4356 PWs) bands (ev): -13.7870 -13.7870 -13.7845 -13.7845 -8.9268 -8.9268 -8.9248 -8.9248 -2.5262 -2.5262 -2.4174 -2.4174 -2.1150 -2.1150 -2.0747 -2.0747 -1.8899 -1.8899 -1.7560 -1.7560 -1.4411 -1.4411 -1.3926 -1.3926 -1.3644 -1.3644 -1.2720 -1.2720 -0.3115 -0.3115 -0.1520 -0.1520 0.8208 0.8208 0.8364 0.8364 1.9787 1.9787 1.9909 1.9909 2.2862 2.2862 2.3548 2.3548 3.2917 3.2917 3.3316 3.3316 3.9630 3.9630 3.9763 3.9763 9.8107 9.8107 9.8214 9.8214 11.9873 11.9873 12.0234 12.0234 13.1345 13.1346 k = 0.4253 0.4181 0.1791 ( 4348 PWs) bands (ev): -13.7865 -13.7865 -13.7838 -13.7838 -8.9243 -8.9243 -8.9222 -8.9222 -2.5210 -2.5210 -2.4016 -2.4016 -2.1167 -2.1167 -2.0740 -2.0740 -1.8972 -1.8972 -1.7509 -1.7509 -1.4498 -1.4498 -1.3963 -1.3963 -1.3668 -1.3668 -1.2748 -1.2748 -0.2998 -0.2998 -0.1316 -0.1316 0.8176 0.8176 0.8340 0.8340 1.9812 1.9812 1.9925 1.9925 2.2648 2.2648 2.3335 2.3335 3.2599 3.2599 3.2995 3.2995 3.9631 3.9631 3.9757 3.9757 9.8496 9.8496 9.8606 9.8606 12.0433 12.0433 12.0845 12.0845 13.1290 13.1291 k = 0.4195 0.4280 0.1791 ( 4356 PWs) bands (ev): -13.7859 -13.7859 -13.7831 -13.7831 -8.9217 -8.9217 -8.9195 -8.9195 -2.5155 -2.5155 -2.3854 -2.3854 -2.1185 -2.1185 -2.0736 -2.0736 -1.9050 -1.9050 -1.7459 -1.7459 -1.4580 -1.4580 -1.4000 -1.4000 -1.3693 -1.3693 -1.2781 -1.2781 -0.2874 -0.2874 -0.1113 -0.1113 0.8142 0.8142 0.8312 0.8312 1.9814 1.9814 1.9912 1.9912 2.2480 2.2480 2.3150 2.3150 3.2252 3.2252 3.2642 3.2642 3.9648 3.9648 3.9764 3.9764 9.8892 9.8892 9.9004 9.9004 12.0990 12.0990 12.1459 12.1459 13.1224 13.1224 k = 0.4138 0.4380 0.1791 ( 4356 PWs) bands (ev): -13.7853 -13.7853 -13.7823 -13.7823 -8.9191 -8.9191 -8.9167 -8.9167 -2.5098 -2.5098 -2.3686 -2.3686 -2.1203 -2.1203 -2.0733 -2.0733 -1.9132 -1.9132 -1.7410 -1.7410 -1.4652 -1.4652 -1.4038 -1.4038 -1.3718 -1.3718 -1.2817 -1.2817 -0.2745 -0.2745 -0.0910 -0.0910 0.8105 0.8105 0.8279 0.8279 1.9777 1.9777 1.9873 1.9873 2.2368 2.2368 2.2999 2.2999 3.1880 3.1880 3.2262 3.2262 3.9677 3.9677 3.9784 3.9784 9.9291 9.9291 9.9405 9.9405 12.1534 12.1534 12.2065 12.2065 13.1145 13.1146 k = 0.4080 0.4479 0.1791 ( 4348 PWs) bands (ev): -13.7847 -13.7847 -13.7816 -13.7816 -8.9164 -8.9164 -8.9140 -8.9140 -2.5039 -2.5039 -2.3513 -2.3513 -2.1221 -2.1221 -2.0731 -2.0731 -1.9217 -1.9217 -1.7363 -1.7363 -1.4713 -1.4713 -1.4074 -1.4074 -1.3743 -1.3743 -1.2853 -1.2853 -0.2613 -0.2613 -0.0710 -0.0710 0.8065 0.8065 0.8241 0.8241 1.9688 1.9688 1.9815 1.9815 2.2316 2.2316 2.2891 2.2891 3.1490 3.1490 3.1862 3.1862 3.9716 3.9716 3.9813 3.9813 9.9688 9.9688 9.9802 9.9802 12.2053 12.2053 12.2654 12.2654 13.1057 13.1057 k = 0.4023 0.4579 0.1791 ( 4342 PWs) bands (ev): -13.7841 -13.7841 -13.7808 -13.7808 -8.9137 -8.9137 -8.9112 -8.9112 -2.4980 -2.4980 -2.3338 -2.3338 -2.1239 -2.1239 -2.0730 -2.0730 -1.9306 -1.9306 -1.7317 -1.7317 -1.4765 -1.4765 -1.4111 -1.4111 -1.3768 -1.3768 -1.2892 -1.2892 -0.2479 -0.2479 -0.0515 -0.0515 0.8023 0.8023 0.8198 0.8198 1.9555 1.9555 1.9737 1.9737 2.2319 2.2319 2.2829 2.2829 3.1086 3.1086 3.1449 3.1449 3.9761 3.9761 3.9849 3.9849 10.0079 10.0079 10.0191 10.0191 12.2537 12.2537 12.3214 12.3214 13.0961 13.0961 k = 0.3966 0.4679 0.1791 ( 4338 PWs) bands (ev): -13.7835 -13.7835 -13.7801 -13.7801 -8.9111 -8.9111 -8.9084 -8.9084 -2.4922 -2.4922 -2.3160 -2.3160 -2.1258 -2.1258 -2.0730 -2.0730 -1.9400 -1.9400 -1.7274 -1.7274 -1.4805 -1.4805 -1.4147 -1.4147 -1.3793 -1.3793 -1.2931 -1.2931 -0.2345 -0.2345 -0.0325 -0.0325 0.7977 0.7977 0.8151 0.8151 1.9393 1.9393 1.9637 1.9637 2.2367 2.2367 2.2811 2.2811 3.0676 3.0676 3.1029 3.1029 3.9811 3.9811 3.9890 3.9890 10.0457 10.0457 10.0568 10.0568 12.2977 12.2977 12.3736 12.3736 13.0861 13.0861 k = 0.3908 0.4778 0.1791 ( 4346 PWs) bands (ev): -13.7829 -13.7829 -13.7794 -13.7794 -8.9085 -8.9085 -8.9058 -8.9058 -2.4866 -2.4866 -2.2982 -2.2982 -2.1278 -2.1278 -2.0730 -2.0730 -1.9497 -1.9497 -1.7234 -1.7234 -1.4834 -1.4834 -1.4183 -1.4183 -1.3819 -1.3819 -1.2970 -1.2970 -0.2214 -0.2214 -0.0143 -0.0143 0.7928 0.7928 0.8098 0.8098 1.9216 1.9216 1.9520 1.9520 2.2449 2.2449 2.2833 2.2833 3.0266 3.0266 3.0610 3.0610 3.9862 3.9862 3.9934 3.9934 10.0820 10.0820 10.0927 10.0927 12.3365 12.3365 12.4210 12.4210 13.0762 13.0762 k = 0.3851 0.4878 0.1791 ( 4350 PWs) bands (ev): -13.7823 -13.7823 -13.7787 -13.7787 -8.9060 -8.9060 -8.9032 -8.9032 -2.4812 -2.4812 -2.2805 -2.2805 -2.1299 -2.1299 -2.0731 -2.0731 -1.9597 -1.9597 -1.7198 -1.7198 -1.4852 -1.4852 -1.4218 -1.4218 -1.3842 -1.3842 -1.3008 -1.3008 -0.2086 -0.2086 0.0031 0.0031 0.7876 0.7876 0.8040 0.8040 1.9037 1.9037 1.9391 1.9391 2.2554 2.2554 2.2888 2.2888 2.9862 2.9862 3.0197 3.0197 3.9914 3.9914 3.9979 3.9979 10.1161 10.1161 10.1266 10.1266 12.3697 12.3697 12.4629 12.4629 13.0669 13.0669 k = 0.3793 0.4977 0.1791 ( 4354 PWs) bands (ev): -13.7818 -13.7818 -13.7781 -13.7781 -8.9036 -8.9036 -8.9008 -8.9008 -2.4762 -2.4762 -2.2630 -2.2630 -2.1320 -2.1320 -2.0731 -2.0731 -1.9699 -1.9699 -1.7166 -1.7166 -1.4858 -1.4858 -1.4252 -1.4252 -1.3865 -1.3865 -1.3045 -1.3045 -0.1964 -0.1964 0.0194 0.0194 0.7822 0.7822 0.7978 0.7978 1.8865 1.8865 1.9259 1.9259 2.2671 2.2671 2.2969 2.2969 2.9471 2.9471 2.9798 2.9798 3.9964 3.9964 4.0024 4.0024 10.1478 10.1478 10.1579 10.1579 12.3969 12.3969 12.4988 12.4988 13.0586 13.0586 k = 0.3736 0.5077 0.1791 ( 4354 PWs) bands (ev): -13.7813 -13.7813 -13.7775 -13.7775 -8.9014 -8.9014 -8.8985 -8.8985 -2.4715 -2.4715 -2.2459 -2.2459 -2.1341 -2.1341 -2.0729 -2.0729 -1.9802 -1.9802 -1.7137 -1.7137 -1.4853 -1.4853 -1.4287 -1.4287 -1.3884 -1.3884 -1.3080 -1.3080 -0.1850 -0.1850 0.0346 0.0346 0.7766 0.7766 0.7914 0.7914 1.8706 1.8706 1.9130 1.9130 2.2793 2.2793 2.3068 2.3068 2.9099 2.9099 2.9421 2.9421 4.0011 4.0011 4.0067 4.0067 10.1765 10.1765 10.1862 10.1862 12.4185 12.4185 12.5285 12.5285 13.0517 13.0517 k = 0.3678 0.5176 0.1791 ( 4356 PWs) bands (ev): -13.7808 -13.7808 -13.7770 -13.7770 -8.8994 -8.8994 -8.8964 -8.8964 -2.4674 -2.4674 -2.2296 -2.2296 -2.1363 -2.1363 -2.0726 -2.0726 -1.9905 -1.9905 -1.7113 -1.7113 -1.4839 -1.4839 -1.4323 -1.4323 -1.3900 -1.3900 -1.3113 -1.3113 -0.1744 -0.1744 0.0484 0.0484 0.7710 0.7710 0.7849 0.7849 1.8565 1.8565 1.9011 1.9011 2.2910 2.2910 2.3177 2.3177 2.8755 2.8755 2.9074 2.9074 4.0054 4.0054 4.0106 4.0106 10.2019 10.2019 10.2113 10.2113 12.4349 12.4349 12.5521 12.5521 13.0464 13.0464 k = 0.3621 0.5276 0.1791 ( 4356 PWs) bands (ev): -13.7804 -13.7804 -13.7765 -13.7765 -8.8976 -8.8976 -8.8946 -8.8946 -2.4637 -2.4637 -2.2144 -2.2144 -2.1385 -2.1385 -2.0720 -2.0720 -2.0007 -2.0007 -1.7093 -1.7093 -1.4814 -1.4814 -1.4360 -1.4360 -1.3912 -1.3912 -1.3143 -1.3143 -0.1650 -0.1650 0.0607 0.0607 0.7655 0.7655 0.7785 0.7785 1.8445 1.8445 1.8906 1.8906 2.3017 2.3017 2.3288 2.3288 2.8445 2.8445 2.8764 2.8764 4.0092 4.0092 4.0142 4.0142 10.2238 10.2238 10.2328 10.2328 12.4470 12.4470 12.5701 12.5701 13.0427 13.0427 k = 0.3563 0.5375 0.1791 ( 4360 PWs) bands (ev): -13.7801 -13.7801 -13.7761 -13.7761 -8.8960 -8.8960 -8.8930 -8.8930 -2.4607 -2.4607 -2.2007 -2.2007 -2.1405 -2.1405 -2.0709 -2.0709 -2.0106 -2.0106 -1.7077 -1.7077 -1.4782 -1.4782 -1.4400 -1.4400 -1.3920 -1.3920 -1.3170 -1.3170 -0.1569 -0.1569 0.0712 0.0712 0.7603 0.7603 0.7724 0.7724 1.8347 1.8347 1.8818 1.8818 2.3109 2.3109 2.3393 2.3393 2.8178 2.8178 2.8499 2.8499 4.0124 4.0124 4.0172 4.0172 10.2418 10.2418 10.2505 10.2505 12.4556 12.4556 12.5834 12.5834 13.0403 13.0403 k = 0.3506 0.5475 0.1791 ( 4360 PWs) bands (ev): -13.7798 -13.7798 -13.7758 -13.7758 -8.8948 -8.8948 -8.8917 -8.8917 -2.4583 -2.4583 -2.1890 -2.1890 -2.1422 -2.1422 -2.0693 -2.0693 -2.0198 -2.0198 -1.7066 -1.7066 -1.4743 -1.4743 -1.4442 -1.4442 -1.3924 -1.3924 -1.3192 -1.3192 -0.1502 -0.1502 0.0798 0.0798 0.7557 0.7557 0.7671 0.7671 1.8273 1.8273 1.8749 1.8749 2.3180 2.3180 2.3482 2.3482 2.7961 2.7961 2.8288 2.8288 4.0150 4.0150 4.0196 4.0196 10.2559 10.2559 10.2642 10.2642 12.4616 12.4616 12.5927 12.5927 13.0388 13.0388 k = 0.3448 0.5574 0.1791 ( 4348 PWs) bands (ev): -13.7795 -13.7795 -13.7755 -13.7755 -8.8938 -8.8938 -8.8908 -8.8908 -2.4566 -2.4566 -2.1802 -2.1802 -2.1432 -2.1432 -2.0670 -2.0670 -2.0278 -2.0278 -1.7057 -1.7057 -1.4697 -1.4697 -1.4487 -1.4487 -1.3925 -1.3925 -1.3208 -1.3208 -0.1453 -0.1453 0.0862 0.0862 0.7520 0.7520 0.7629 0.7629 1.8221 1.8221 1.8700 1.8700 2.3230 2.3230 2.3549 2.3549 2.7801 2.7801 2.8135 2.8135 4.0169 4.0169 4.0214 4.0214 10.2658 10.2658 10.2740 10.2740 12.4656 12.4656 12.5989 12.5989 13.0379 13.0379 k = 0.3391 0.5674 0.1791 ( 4344 PWs) bands (ev): -13.7794 -13.7794 -13.7754 -13.7754 -8.8932 -8.8932 -8.8902 -8.8902 -2.4555 -2.4555 -2.1750 -2.1750 -2.1436 -2.1436 -2.0647 -2.0647 -2.0337 -2.0337 -1.7052 -1.7052 -1.4647 -1.4647 -1.4536 -1.4536 -1.3926 -1.3926 -1.3219 -1.3219 -0.1422 -0.1422 0.0902 0.0902 0.7495 0.7495 0.7601 0.7601 1.8191 1.8191 1.8672 1.8672 2.3257 2.3257 2.3589 2.3589 2.7705 2.7705 2.8044 2.8044 4.0180 4.0180 4.0226 4.0226 10.2717 10.2717 10.2798 10.2798 12.4680 12.4680 12.6025 12.6025 13.0373 13.0373 k = 0.3333 0.5774 0.1791 ( 4344 PWs) bands (ev): -13.7794 -13.7794 -13.7753 -13.7753 -8.8930 -8.8930 -8.8900 -8.8900 -2.4552 -2.4552 -2.1734 -2.1734 -2.1436 -2.1436 -2.0636 -2.0636 -2.0362 -2.0362 -1.7051 -1.7051 -1.4608 -1.4608 -1.4575 -1.4575 -1.3925 -1.3925 -1.3222 -1.3222 -0.1411 -0.1411 0.0916 0.0916 0.7486 0.7486 0.7591 0.7591 1.8181 1.8181 1.8663 1.8663 2.3265 2.3265 2.3602 2.3602 2.7673 2.7673 2.8015 2.8015 4.0184 4.0184 4.0229 4.0229 10.2737 10.2737 10.2817 10.2817 12.4689 12.4689 12.6037 12.6037 13.0371 13.0371 k = 0.3333 0.5774 0.1791 ( 4344 PWs) bands (ev): -13.7794 -13.7794 -13.7753 -13.7753 -8.8930 -8.8930 -8.8900 -8.8900 -2.4552 -2.4552 -2.1734 -2.1734 -2.1436 -2.1436 -2.0636 -2.0636 -2.0362 -2.0362 -1.7051 -1.7051 -1.4608 -1.4608 -1.4575 -1.4575 -1.3925 -1.3925 -1.3222 -1.3222 -0.1411 -0.1411 0.0916 0.0916 0.7486 0.7486 0.7591 0.7591 1.8181 1.8181 1.8663 1.8663 2.3265 2.3265 2.3602 2.3602 2.7673 2.7673 2.8015 2.8015 4.0184 4.0184 4.0229 4.0229 10.2737 10.2737 10.2817 10.2817 12.4689 12.4689 12.6037 12.6037 13.0371 13.0371 k = 0.3276 0.5674 0.1791 ( 4348 PWs) bands (ev): -13.7794 -13.7794 -13.7754 -13.7754 -8.8933 -8.8933 -8.8902 -8.8902 -2.4555 -2.4555 -2.1747 -2.1747 -2.1439 -2.1439 -2.0648 -2.0648 -2.0337 -2.0337 -1.7052 -1.7052 -1.4650 -1.4650 -1.4534 -1.4534 -1.3926 -1.3926 -1.3219 -1.3219 -0.1422 -0.1422 0.0901 0.0901 0.7496 0.7496 0.7602 0.7602 1.8190 1.8190 1.8671 1.8671 2.3259 2.3259 2.3591 2.3591 2.7704 2.7704 2.8043 2.8043 4.0180 4.0180 4.0225 4.0225 10.2718 10.2718 10.2799 10.2799 12.4679 12.4679 12.6024 12.6024 13.0374 13.0374 k = 0.3218 0.5574 0.1791 ( 4352 PWs) bands (ev): -13.7796 -13.7796 -13.7756 -13.7756 -8.8939 -8.8939 -8.8909 -8.8909 -2.4566 -2.4566 -2.1780 -2.1780 -2.1454 -2.1454 -2.0676 -2.0676 -2.0275 -2.0275 -1.7056 -1.7056 -1.4708 -1.4708 -1.4482 -1.4482 -1.3927 -1.3927 -1.3208 -1.3208 -0.1456 -0.1456 0.0858 0.0858 0.7530 0.7530 0.7638 0.7638 1.8216 1.8216 1.8696 1.8696 2.3247 2.3247 2.3564 2.3564 2.7790 2.7790 2.8122 2.8122 4.0168 4.0168 4.0214 4.0214 10.2663 10.2663 10.2745 10.2745 12.4645 12.4645 12.5984 12.5984 13.0389 13.0389 k = 0.3161 0.5475 0.1791 ( 4348 PWs) bands (ev): -13.7798 -13.7798 -13.7758 -13.7758 -8.8950 -8.8950 -8.8920 -8.8920 -2.4581 -2.4581 -2.1827 -2.1827 -2.1479 -2.1479 -2.0706 -2.0706 -2.0191 -2.0191 -1.7061 -1.7061 -1.4769 -1.4769 -1.4433 -1.4433 -1.3927 -1.3927 -1.3189 -1.3189 -0.1511 -0.1511 0.0787 0.0787 0.7589 0.7589 0.7701 0.7701 1.8256 1.8256 1.8735 1.8735 2.3238 2.3238 2.3531 2.3531 2.7925 2.7925 2.8247 2.8247 4.0148 4.0148 4.0195 4.0195 10.2576 10.2576 10.2659 10.2659 12.4580 12.4580 12.5910 12.5910 13.0423 13.0423 k = 0.3103 0.5375 0.1791 ( 4344 PWs) bands (ev): -13.7802 -13.7802 -13.7762 -13.7762 -8.8966 -8.8966 -8.8936 -8.8936 -2.4602 -2.4602 -2.1886 -2.1886 -2.1515 -2.1515 -2.0732 -2.0732 -2.0098 -2.0098 -1.7067 -1.7067 -1.4833 -1.4833 -1.4394 -1.4394 -1.3924 -1.3924 -1.3164 -1.3164 -0.1588 -0.1588 0.0686 0.0686 0.7676 0.7676 0.7793 0.7793 1.8309 1.8309 1.8786 1.8786 2.3239 2.3239 2.3500 2.3500 2.8099 2.8099 2.8409 2.8409 4.0120 4.0120 4.0169 4.0169 10.2458 10.2458 10.2543 10.2543 12.4476 12.4476 12.5798 12.5798 13.0482 13.0482 k = 0.3046 0.5276 0.1791 ( 4350 PWs) bands (ev): -13.7807 -13.7807 -13.7768 -13.7768 -8.8987 -8.8987 -8.8957 -8.8957 -2.4629 -2.4629 -2.1955 -2.1955 -2.1557 -2.1557 -2.0755 -2.0755 -2.0003 -2.0003 -1.7075 -1.7075 -1.4900 -1.4900 -1.4368 -1.4368 -1.3912 -1.3912 -1.3136 -1.3136 -0.1687 -0.1687 0.0558 0.0558 0.7792 0.7792 0.7916 0.7916 1.8373 1.8373 1.8847 1.8847 2.3257 2.3257 2.3480 2.3480 2.8304 2.8304 2.8602 2.8602 4.0084 4.0084 4.0136 4.0136 10.2312 10.2312 10.2400 10.2400 12.4329 12.4329 12.5643 12.5643 13.0578 13.0578 k = 0.2989 0.5176 0.1791 ( 4358 PWs) bands (ev): -13.7813 -13.7813 -13.7774 -13.7774 -8.9013 -8.9013 -8.8983 -8.8983 -2.4661 -2.4661 -2.2033 -2.2033 -2.1604 -2.1604 -2.0773 -2.0773 -1.9908 -1.9908 -1.7083 -1.7083 -1.4969 -1.4969 -1.4362 -1.4362 -1.3889 -1.3889 -1.3106 -1.3106 -0.1804 -0.1804 0.0405 0.0405 0.7936 0.7936 0.8070 0.8070 1.8447 1.8447 1.8917 1.8917 2.3297 2.3297 2.3479 2.3479 2.8535 2.8535 2.8820 2.8820 4.0041 4.0041 4.0095 4.0095 10.2143 10.2143 10.2233 10.2233 12.4135 12.4135 12.5443 12.5443 13.0716 13.0716 k = 0.2931 0.5077 0.1791 ( 4366 PWs) bands (ev): -13.7821 -13.7821 -13.7782 -13.7782 -8.9044 -8.9044 -8.9014 -8.9014 -2.4697 -2.4697 -2.2118 -2.2118 -2.1653 -2.1653 -2.0788 -2.0788 -1.9818 -1.9818 -1.7091 -1.7091 -1.5039 -1.5039 -1.4374 -1.4374 -1.3854 -1.3854 -1.3075 -1.3075 -0.1939 -0.1939 0.0229 0.0229 0.8110 0.8110 0.8256 0.8256 1.8531 1.8531 1.8996 1.8996 2.3362 2.3362 2.3501 2.3501 2.8784 2.8784 2.9058 2.9058 3.9990 3.9990 4.0049 4.0049 10.1951 10.1951 10.2045 10.2045 12.3896 12.3896 12.5198 12.5198 13.0902 13.0902 k = 0.2874 0.4977 0.1791 ( 4362 PWs) bands (ev): -13.7830 -13.7830 -13.7792 -13.7792 -8.9081 -8.9081 -8.9051 -8.9051 -2.4736 -2.4736 -2.2208 -2.2208 -2.1702 -2.1702 -2.0800 -2.0800 -1.9733 -1.9733 -1.7099 -1.7099 -1.5110 -1.5110 -1.4402 -1.4402 -1.3810 -1.3810 -1.3043 -1.3043 -0.2087 -0.2087 0.0034 0.0034 0.8312 0.8312 0.8473 0.8473 1.8624 1.8624 1.9082 1.9082 2.3454 2.3454 2.3551 2.3551 2.9048 2.9048 2.9311 2.9311 3.9932 3.9932 3.9997 3.9997 10.1741 10.1741 10.1838 10.1838 12.3615 12.3615 12.4912 12.4912 13.1137 13.1137 k = 0.2816 0.4878 0.1791 ( 4366 PWs) bands (ev): -13.7840 -13.7840 -13.7803 -13.7803 -8.9123 -8.9123 -8.9093 -8.9093 -2.4777 -2.4777 -2.2302 -2.2302 -2.1753 -2.1753 -2.0811 -2.0811 -1.9655 -1.9655 -1.7107 -1.7107 -1.5183 -1.5183 -1.4443 -1.4443 -1.3762 -1.3762 -1.3016 -1.3016 -0.2247 -0.2247 -0.0177 -0.0177 0.8541 0.8541 0.8719 0.8719 1.8728 1.8728 1.9178 1.9178 2.3570 2.3570 2.3630 2.3630 2.9323 2.9323 2.9577 2.9577 3.9868 3.9868 3.9939 3.9939 10.1514 10.1514 10.1614 10.1614 12.3301 12.3301 12.4593 12.4593 13.1418 13.1418 k = 0.2759 0.4778 0.1791 ( 4360 PWs) bands (ev): -13.7851 -13.7851 -13.7815 -13.7815 -8.9171 -8.9171 -8.9141 -8.9141 -2.4821 -2.4821 -2.2400 -2.2400 -2.1803 -2.1803 -2.0822 -2.0822 -1.9585 -1.9585 -1.7113 -1.7113 -1.5256 -1.5256 -1.4492 -1.4492 -1.3714 -1.3714 -1.2991 -1.2991 -0.2414 -0.2414 -0.0400 -0.0400 0.8796 0.8796 0.8993 0.8993 1.8842 1.8842 1.9285 1.9285 2.3704 2.3704 2.3745 2.3745 2.9606 2.9606 2.9853 2.9853 3.9798 3.9798 3.9877 3.9877 10.1271 10.1271 10.1375 10.1375 12.2959 12.2959 12.4246 12.4246 13.1740 13.1740 k = 0.2701 0.4679 0.1791 ( 4362 PWs) bands (ev): -13.7865 -13.7865 -13.7829 -13.7829 -8.9224 -8.9224 -8.9194 -8.9194 -2.4868 -2.4868 -2.2500 -2.2500 -2.1855 -2.1855 -2.0833 -2.0833 -1.9524 -1.9524 -1.7119 -1.7119 -1.5331 -1.5331 -1.4549 -1.4549 -1.3668 -1.3668 -1.2970 -1.2970 -0.2585 -0.2585 -0.0632 -0.0632 0.9076 0.9076 0.9294 0.9294 1.8969 1.8969 1.9403 1.9403 2.3845 2.3845 2.3905 2.3905 2.9894 2.9894 3.0135 3.0135 3.9723 3.9723 3.9810 3.9810 10.1015 10.1015 10.1121 10.1121 12.2597 12.2597 12.3880 12.3880 13.2099 13.2099 k = 0.2644 0.4579 0.1791 ( 4362 PWs) bands (ev): -13.7879 -13.7879 -13.7844 -13.7844 -8.9283 -8.9283 -8.9253 -8.9253 -2.4915 -2.4915 -2.2602 -2.2602 -2.1908 -2.1908 -2.0845 -2.0845 -1.9472 -1.9472 -1.7125 -1.7125 -1.5407 -1.5407 -1.4610 -1.4610 -1.3628 -1.3628 -1.2956 -1.2956 -0.2758 -0.2758 -0.0870 -0.0870 0.9379 0.9379 0.9619 0.9619 1.9110 1.9110 1.9535 1.9535 2.4003 2.4003 2.4094 2.4094 3.0186 3.0186 3.0423 3.0423 3.9645 3.9645 3.9741 3.9741 10.0744 10.0744 10.0854 10.0854 12.2224 12.2224 12.3504 12.3504 13.2486 13.2486 k = 0.2586 0.4479 0.1791 ( 4370 PWs) bands (ev): -13.7895 -13.7895 -13.7860 -13.7860 -8.9347 -8.9347 -8.9317 -8.9317 -2.4964 -2.4964 -2.2705 -2.2705 -2.1961 -2.1961 -2.0858 -2.0858 -1.9431 -1.9431 -1.7130 -1.7130 -1.5483 -1.5483 -1.4673 -1.4673 -1.3596 -1.3596 -1.2947 -1.2947 -0.2930 -0.2930 -0.1111 -0.1111 0.9704 0.9704 0.9967 0.9967 1.9266 1.9266 1.9683 1.9683 2.4181 2.4181 2.4304 2.4304 3.0479 3.0479 3.0713 3.0713 3.9563 3.9563 3.9670 3.9670 10.0460 10.0460 10.0574 10.0574 12.1847 12.1847 12.3124 12.3124 13.2894 13.2894 k = 0.2529 0.4380 0.1791 ( 4368 PWs) bands (ev): -13.7912 -13.7912 -13.7878 -13.7878 -8.9416 -8.9416 -8.9386 -8.9386 -2.5013 -2.5013 -2.2808 -2.2808 -2.2015 -2.2015 -2.0873 -2.0873 -1.9398 -1.9398 -1.7134 -1.7134 -1.5560 -1.5560 -1.4737 -1.4737 -1.3574 -1.3574 -1.2944 -1.2944 -0.3096 -0.3096 -0.1350 -0.1350 1.0049 1.0049 1.0335 1.0335 1.9440 1.9440 1.9848 1.9848 2.4378 2.4378 2.4531 2.4531 3.0772 3.0772 3.1006 3.1006 3.9481 3.9481 3.9598 3.9598 10.0162 10.0162 10.0279 10.0279 12.1473 12.1473 12.2747 12.2747 13.3315 13.3315 k = 0.2471 0.4280 0.1791 ( 4366 PWs) bands (ev): -13.7931 -13.7931 -13.7898 -13.7898 -8.9491 -8.9491 -8.9461 -8.9461 -2.5062 -2.5062 -2.2913 -2.2913 -2.2070 -2.2070 -2.0891 -2.0891 -1.9376 -1.9376 -1.7139 -1.7139 -1.5637 -1.5637 -1.4801 -1.4801 -1.3562 -1.3562 -1.2945 -1.2945 -0.3256 -0.3256 -0.1587 -0.1587 1.0414 1.0414 1.0723 1.0723 1.9632 1.9632 2.0033 2.0033 2.4591 2.4591 2.4771 2.4771 3.1064 3.1064 3.1298 3.1298 3.9398 3.9398 3.9527 3.9527 9.9850 9.9850 9.9971 9.9971 12.1107 12.1107 12.2380 12.2380 13.3740 13.3740 k = 0.2414 0.4181 0.1791 ( 4366 PWs) bands (ev): -13.7951 -13.7951 -13.7919 -13.7919 -8.9571 -8.9571 -8.9541 -8.9541 -2.5112 -2.5112 -2.3018 -2.3018 -2.2126 -2.2126 -2.0911 -2.0911 -1.9362 -1.9362 -1.7145 -1.7145 -1.5713 -1.5713 -1.4865 -1.4865 -1.3562 -1.3562 -1.2952 -1.2952 -0.3406 -0.3406 -0.1818 -0.1818 1.0795 1.0795 1.1127 1.1127 1.9843 1.9843 2.0239 2.0239 2.4819 2.4819 2.5022 2.5022 3.1354 3.1354 3.1589 3.1589 3.9316 3.9316 3.9458 3.9458 9.9522 9.9522 9.9647 9.9647 12.0756 12.0756 12.2028 12.2028 13.4156 13.4156 k = 0.2356 0.4081 0.1791 ( 4358 PWs) bands (ev): -13.7973 -13.7973 -13.7941 -13.7941 -8.9655 -8.9655 -8.9625 -8.9625 -2.5161 -2.5161 -2.3123 -2.3123 -2.2183 -2.2183 -2.0935 -2.0935 -1.9358 -1.9358 -1.7153 -1.7153 -1.5789 -1.5789 -1.4925 -1.4925 -1.3575 -1.3575 -1.2964 -1.2964 -0.3546 -0.3546 -0.2041 -0.2041 1.1193 1.1193 1.1546 1.1546 2.0075 2.0075 2.0466 2.0466 2.5058 2.5058 2.5280 2.5280 3.1640 3.1640 3.1879 3.1879 3.9237 3.9237 3.9392 3.9392 9.9177 9.9177 9.9307 9.9307 12.0425 12.0425 12.1697 12.1697 13.4547 13.4547 k = 0.2299 0.3982 0.1791 ( 4356 PWs) bands (ev): -13.7996 -13.7996 -13.7964 -13.7964 -8.9744 -8.9744 -8.9714 -8.9714 -2.5211 -2.5211 -2.3229 -2.3229 -2.2241 -2.2241 -2.0963 -2.0963 -1.9363 -1.9363 -1.7163 -1.7163 -1.5863 -1.5863 -1.4983 -1.4983 -1.3600 -1.3600 -1.2981 -1.2981 -0.3672 -0.3672 -0.2254 -0.2254 1.1605 1.1605 1.1978 1.1978 2.0329 2.0329 2.0716 2.0716 2.5305 2.5305 2.5543 2.5543 3.1921 3.1921 3.2164 3.2164 3.9162 3.9162 3.9331 3.9331 9.8815 9.8815 9.8948 9.8948 12.0119 12.0119 12.1391 12.1391 13.4893 13.4893 k = 0.2241 0.3882 0.1791 ( 4364 PWs) bands (ev): -13.8021 -13.8021 -13.7989 -13.7989 -8.9838 -8.9838 -8.9807 -8.9807 -2.5260 -2.5260 -2.3335 -2.3335 -2.2301 -2.2301 -2.0997 -2.0997 -1.9377 -1.9377 -1.7179 -1.7179 -1.5936 -1.5936 -1.5037 -1.5037 -1.3638 -1.3638 -1.3003 -1.3003 -0.3786 -0.3786 -0.2456 -0.2456 1.2029 1.2029 1.2422 1.2422 2.0603 2.0603 2.0989 2.0989 2.5559 2.5559 2.5809 2.5809 3.2196 3.2196 3.2445 3.2445 3.9093 3.9093 3.9276 3.9276 9.8433 9.8433 9.8570 9.8570 11.9841 11.9841 12.1114 12.1114 13.5166 13.5166 k = 0.2184 0.3783 0.1791 ( 4362 PWs) bands (ev): -13.8046 -13.8046 -13.8016 -13.8016 -8.9936 -8.9936 -8.9904 -8.9904 -2.5308 -2.5308 -2.3442 -2.3442 -2.2361 -2.2361 -2.1035 -2.1035 -1.9399 -1.9399 -1.7201 -1.7201 -1.6004 -1.6004 -1.5087 -1.5087 -1.3686 -1.3686 -1.3031 -1.3031 -0.3884 -0.3884 -0.2643 -0.2643 1.2465 1.2465 1.2875 1.2875 2.0900 2.0900 2.1286 2.1286 2.5817 2.5817 2.6075 2.6075 3.2465 3.2465 3.2721 3.2721 3.9033 3.9033 3.9230 3.9230 9.8030 9.8030 9.8172 9.8172 11.9594 11.9594 12.0869 12.0869 13.5335 13.5336 k = 0.2126 0.3683 0.1791 ( 4358 PWs) bands (ev): -13.8073 -13.8073 -13.8043 -13.8043 -9.0037 -9.0037 -9.0006 -9.0006 -2.5355 -2.5355 -2.3549 -2.3549 -2.2423 -2.2423 -2.1080 -2.1080 -1.9427 -1.9427 -1.7229 -1.7229 -1.6068 -1.6068 -1.5131 -1.5131 -1.3744 -1.3744 -1.3065 -1.3065 -0.3968 -0.3968 -0.2816 -0.2816 1.2911 1.2911 1.3335 1.3335 2.1218 2.1218 2.1606 2.1606 2.6076 2.6076 2.6340 2.6340 3.2727 3.2727 3.2990 3.2990 3.8982 3.8982 3.9193 3.9193 9.7604 9.7604 9.7751 9.7751 11.9382 11.9382 12.0658 12.0658 13.5372 13.5373 k = 0.2069 0.3584 0.1791 ( 4358 PWs) bands (ev): -13.8101 -13.8101 -13.8071 -13.8071 -9.0142 -9.0142 -9.0110 -9.0110 -2.5401 -2.5401 -2.3658 -2.3658 -2.2487 -2.2487 -2.1131 -2.1131 -1.9462 -1.9462 -1.7268 -1.7268 -1.6126 -1.6126 -1.5170 -1.5170 -1.3809 -1.3809 -1.3104 -1.3104 -0.4037 -0.4037 -0.2974 -0.2974 1.3364 1.3364 1.3800 1.3800 2.1558 2.1558 2.1948 2.1948 2.6335 2.6335 2.6603 2.6603 3.2981 3.2981 3.3253 3.3253 3.8942 3.8942 3.9168 3.9168 9.7155 9.7155 9.7306 9.7306 11.9204 11.9204 12.0482 12.0482 13.5263 13.5263 k = 0.2011 0.3484 0.1791 ( 4366 PWs) bands (ev): -13.8130 -13.8130 -13.8101 -13.8101 -9.0250 -9.0250 -9.0218 -9.0218 -2.5448 -2.5448 -2.3767 -2.3767 -2.2552 -2.2552 -2.1190 -2.1190 -1.9503 -1.9503 -1.7316 -1.7316 -1.6177 -1.6177 -1.5204 -1.5204 -1.3878 -1.3878 -1.3149 -1.3149 -0.4092 -0.4092 -0.3116 -0.3116 1.3823 1.3823 1.4269 1.4269 2.1919 2.1919 2.2314 2.2314 2.6593 2.6593 2.6862 2.6862 3.3227 3.3227 3.3507 3.3507 3.8915 3.8915 3.9155 3.9155 9.6681 9.6681 9.6837 9.6837 11.9062 11.9062 12.0341 12.0341 13.5013 13.5013 k = 0.1954 0.3384 0.1791 ( 4366 PWs) bands (ev): -13.8161 -13.8161 -13.8132 -13.8132 -9.0361 -9.0361 -9.0328 -9.0328 -2.5493 -2.5493 -2.3877 -2.3877 -2.2619 -2.2618 -2.1256 -2.1256 -1.9549 -1.9549 -1.7376 -1.7376 -1.6221 -1.6221 -1.5232 -1.5232 -1.3951 -1.3951 -1.3200 -1.3200 -0.4133 -0.4133 -0.3242 -0.3242 1.4286 1.4286 1.4739 1.4739 2.2300 2.2300 2.2701 2.2701 2.6848 2.6848 2.7117 2.7117 3.3465 3.3465 3.3753 3.3753 3.8902 3.8902 3.9156 3.9156 9.6182 9.6182 9.6344 9.6344 11.8955 11.8955 12.0235 12.0235 13.4650 13.4650 k = 0.1897 0.3285 0.1791 ( 4366 PWs) bands (ev): -13.8192 -13.8192 -13.8163 -13.8163 -9.0474 -9.0474 -9.0441 -9.0441 -2.5537 -2.5537 -2.3987 -2.3987 -2.2686 -2.2686 -2.1330 -2.1330 -1.9599 -1.9599 -1.7446 -1.7446 -1.6258 -1.6258 -1.5254 -1.5254 -1.4023 -1.4023 -1.3256 -1.3256 -0.4161 -0.4161 -0.3351 -0.3351 1.4751 1.4751 1.5207 1.5207 2.2702 2.2702 2.3109 2.3109 2.7099 2.7099 2.7366 2.7366 3.3695 3.3695 3.3991 3.3991 3.8905 3.8905 3.9173 3.9173 9.5659 9.5659 9.5825 9.5825 11.8880 11.8880 12.0160 12.0160 13.4203 13.4203 k = 0.1839 0.3185 0.1791 ( 4364 PWs) bands (ev): -13.8224 -13.8224 -13.8196 -13.8196 -9.0589 -9.0589 -9.0556 -9.0556 -2.5580 -2.5580 -2.4098 -2.4098 -2.2756 -2.2756 -2.1412 -2.1412 -1.9653 -1.9653 -1.7527 -1.7527 -1.6287 -1.6287 -1.5271 -1.5271 -1.4094 -1.4094 -1.3316 -1.3316 -0.4177 -0.4177 -0.3444 -0.3444 1.5216 1.5216 1.5672 1.5672 2.3122 2.3122 2.3537 2.3537 2.7345 2.7345 2.7612 2.7612 3.3917 3.3917 3.4221 3.4221 3.8924 3.8924 3.9204 3.9204 9.5111 9.5111 9.5282 9.5282 11.8833 11.8833 12.0111 12.0111 13.3704 13.3704 k = 0.1782 0.3086 0.1791 ( 4372 PWs) bands (ev): -13.8256 -13.8256 -13.8229 -13.8229 -9.0706 -9.0706 -9.0673 -9.0673 -2.5623 -2.5623 -2.4210 -2.4210 -2.2827 -2.2827 -2.1504 -2.1504 -1.9710 -1.9710 -1.7618 -1.7618 -1.6312 -1.6312 -1.5283 -1.5283 -1.4163 -1.4163 -1.3381 -1.3381 -0.4181 -0.4181 -0.3522 -0.3522 1.5678 1.5678 1.6131 1.6131 2.3559 2.3559 2.3984 2.3984 2.7586 2.7586 2.7853 2.7853 3.4132 3.4132 3.4443 3.4443 3.8960 3.8960 3.9252 3.9252 9.4539 9.4539 9.4715 9.4715 11.8809 11.8809 12.0083 12.0083 13.3179 13.3179 k = 0.1724 0.2986 0.1791 ( 4372 PWs) bands (ev): -13.8290 -13.8290 -13.8262 -13.8262 -9.0823 -9.0823 -9.0791 -9.0791 -2.5665 -2.5665 -2.4322 -2.4322 -2.2899 -2.2899 -2.1603 -2.1603 -1.9769 -1.9769 -1.7718 -1.7718 -1.6330 -1.6330 -1.5290 -1.5290 -1.4227 -1.4227 -1.3448 -1.3448 -0.4175 -0.4175 -0.3585 -0.3585 1.6136 1.6136 1.6581 1.6581 2.4013 2.4013 2.4449 2.4449 2.7823 2.7823 2.8092 2.8092 3.4340 3.4340 3.4658 3.4658 3.9012 3.9012 3.9314 3.9314 9.3943 9.3943 9.4124 9.4124 11.8801 11.8801 12.0065 12.0065 13.2653 13.2653 k = 0.1667 0.2887 0.1791 ( 4390 PWs) bands (ev): -13.8324 -13.8324 -13.8297 -13.8297 -9.0942 -9.0942 -9.0910 -9.0910 -2.5706 -2.5706 -2.4435 -2.4435 -2.2972 -2.2972 -2.1712 -2.1712 -1.9831 -1.9831 -1.7825 -1.7825 -1.6346 -1.6346 -1.5294 -1.5294 -1.4285 -1.4285 -1.3518 -1.3518 -0.4160 -0.4160 -0.3634 -0.3634 1.6585 1.6585 1.7020 1.7020 2.4482 2.4482 2.4928 2.4928 2.8056 2.8056 2.8330 2.8330 3.4542 3.4542 3.4866 3.4866 3.9081 3.9081 3.9392 3.9392 9.3327 9.3327 9.3512 9.3512 11.8798 11.8798 12.0047 12.0047 13.2148 13.2148 k = 0.1609 0.2787 0.1791 ( 4382 PWs) bands (ev): -13.8358 -13.8358 -13.8331 -13.8331 -9.1061 -9.1061 -9.1029 -9.1029 -2.5746 -2.5746 -2.4548 -2.4548 -2.3046 -2.3046 -2.1827 -2.1827 -1.9892 -1.9892 -1.7937 -1.7937 -1.6356 -1.6356 -1.5292 -1.5292 -1.4335 -1.4335 -1.3588 -1.3588 -0.4136 -0.4136 -0.3670 -0.3670 1.7025 1.7025 1.7445 1.7445 2.4963 2.4963 2.5421 2.5421 2.8287 2.8287 2.8569 2.8569 3.4740 3.4740 3.5070 3.5070 3.9164 3.9164 3.9483 3.9483 9.2690 9.2690 9.2879 9.2879 11.8789 11.8789 12.0014 12.0014 13.1686 13.1686 k = 0.1552 0.2688 0.1791 ( 4382 PWs) bands (ev): -13.8393 -13.8393 -13.8366 -13.8366 -9.1180 -9.1180 -9.1148 -9.1148 -2.5786 -2.5786 -2.4661 -2.4661 -2.3121 -2.3121 -2.1950 -2.1950 -1.9955 -1.9955 -1.8054 -1.8054 -1.6364 -1.6364 -1.5287 -1.5287 -1.4378 -1.4378 -1.3658 -1.3658 -0.4106 -0.4106 -0.3694 -0.3694 1.7451 1.7451 1.7854 1.7854 2.5455 2.5455 2.5924 2.5924 2.8519 2.8519 2.8811 2.8811 3.4935 3.4935 3.5270 3.5270 3.9262 3.9262 3.9587 3.9587 9.2035 9.2035 9.2228 9.2228 11.8760 11.8760 11.9950 11.9950 13.1286 13.1286 k = 0.1494 0.2588 0.1791 ( 4374 PWs) bands (ev): -13.8427 -13.8427 -13.8401 -13.8401 -9.1299 -9.1299 -9.1267 -9.1267 -2.5824 -2.5824 -2.4774 -2.4774 -2.3196 -2.3196 -2.2079 -2.2079 -2.0018 -2.0018 -1.8175 -1.8175 -1.6368 -1.6368 -1.5280 -1.5280 -1.4413 -1.4413 -1.3726 -1.3726 -0.4069 -0.4069 -0.3707 -0.3707 1.7862 1.7862 1.8243 1.8243 2.5956 2.5956 2.6434 2.6434 2.8754 2.8754 2.9060 2.9060 3.5128 3.5128 3.5469 3.5469 3.9371 3.9371 3.9703 3.9703 9.1365 9.1365 9.1560 9.1560 11.8696 11.8696 11.9838 11.9838 13.0969 13.0969 k = 0.1437 0.2489 0.1791 ( 4374 PWs) bands (ev): -13.8462 -13.8462 -13.8437 -13.8437 -9.1417 -9.1417 -9.1385 -9.1385 -2.5862 -2.5862 -2.4886 -2.4886 -2.3271 -2.3271 -2.2214 -2.2214 -2.0080 -2.0080 -1.8299 -1.8299 -1.6369 -1.6369 -1.5271 -1.5271 -1.4441 -1.4441 -1.3793 -1.3793 -0.4028 -0.4028 -0.3711 -0.3711 1.8253 1.8253 1.8611 1.8611 2.6462 2.6462 2.6946 2.6946 2.8997 2.8997 2.9318 2.9318 3.5320 3.5320 3.5669 3.5669 3.9491 3.9491 3.9827 3.9827 9.0680 9.0680 9.0878 9.0878 11.8581 11.8581 11.9662 11.9662 13.0752 13.0752 k = 0.1379 0.2389 0.1791 ( 4374 PWs) bands (ev): -13.8497 -13.8497 -13.8472 -13.8472 -9.1533 -9.1533 -9.1502 -9.1502 -2.5901 -2.5901 -2.4998 -2.4998 -2.3347 -2.3347 -2.2354 -2.2354 -2.0142 -2.0142 -1.8424 -1.8424 -1.6368 -1.6368 -1.5261 -1.5261 -1.4460 -1.4460 -1.3857 -1.3857 -0.3983 -0.3983 -0.3707 -0.3707 1.8623 1.8623 1.8955 1.8955 2.6970 2.6970 2.7454 2.7454 2.9254 2.9254 2.9586 2.9586 3.5513 3.5513 3.5870 3.5870 3.9619 3.9619 3.9958 3.9958 8.9985 8.9985 9.0184 9.0184 11.8404 11.8404 11.9410 11.9410 13.0644 13.0644 k = 0.1322 0.2289 0.1791 ( 4378 PWs) bands (ev): -13.8532 -13.8532 -13.8507 -13.8507 -9.1648 -9.1648 -9.1617 -9.1617 -2.5938 -2.5938 -2.5109 -2.5109 -2.3423 -2.3423 -2.2497 -2.2497 -2.0202 -2.0202 -1.8551 -1.8551 -1.6364 -1.6364 -1.5251 -1.5251 -1.4474 -1.4474 -1.3919 -1.3919 -0.3935 -0.3935 -0.3695 -0.3695 1.8969 1.8969 1.9274 1.9274 2.7477 2.7477 2.7952 2.7952 2.9532 2.9532 2.9869 2.9869 3.5709 3.5709 3.6077 3.6077 3.9753 3.9753 4.0094 4.0094 8.9281 8.9281 8.9480 8.9480 11.8154 11.8154 11.9076 11.9076 13.0649 13.0649 k = 0.1264 0.2190 0.1791 ( 4378 PWs) bands (ev): -13.8566 -13.8566 -13.8542 -13.8542 -9.1761 -9.1761 -9.1731 -9.1731 -2.5975 -2.5975 -2.5219 -2.5219 -2.3497 -2.3497 -2.2643 -2.2643 -2.0261 -2.0261 -1.8678 -1.8678 -1.6358 -1.6358 -1.5242 -1.5242 -1.4480 -1.4480 -1.3976 -1.3976 -0.3884 -0.3884 -0.3678 -0.3678 1.9288 1.9288 1.9567 1.9567 2.7979 2.7979 2.8432 2.8432 2.9836 2.9836 3.0167 3.0167 3.5909 3.5909 3.6290 3.6290 3.9891 3.9891 4.0234 4.0234 8.8570 8.8570 8.8770 8.8770 11.7829 11.7829 11.8661 11.8661 13.0766 13.0766 k = 0.1207 0.2090 0.1791 ( 4386 PWs) bands (ev): -13.8600 -13.8600 -13.8577 -13.8577 -9.1872 -9.1872 -9.1842 -9.1842 -2.6012 -2.6012 -2.5328 -2.5328 -2.3572 -2.3572 -2.2790 -2.2790 -2.0318 -2.0318 -1.8805 -1.8805 -1.6348 -1.6348 -1.5234 -1.5234 -1.4481 -1.4481 -1.4029 -1.4029 -0.3833 -0.3833 -0.3656 -0.3656 1.9580 1.9580 1.9832 1.9832 2.8472 2.8472 2.8886 2.8886 3.0170 3.0170 3.0483 3.0483 3.6116 3.6116 3.6511 3.6511 4.0031 4.0031 4.0375 4.0375 8.7856 8.7856 8.8055 8.8055 11.7428 11.7428 11.8172 11.8172 13.0994 13.0994 k = 0.1149 0.1991 0.1791 ( 4382 PWs) bands (ev): -13.8634 -13.8634 -13.8611 -13.8611 -9.1979 -9.1979 -9.1951 -9.1951 -2.6048 -2.6048 -2.5434 -2.5434 -2.3645 -2.3645 -2.2936 -2.2936 -2.0372 -2.0372 -1.8930 -1.8930 -1.6335 -1.6335 -1.5227 -1.5227 -1.4477 -1.4477 -1.4076 -1.4076 -0.3780 -0.3780 -0.3629 -0.3629 1.9842 1.9842 2.0069 2.0069 2.8952 2.8952 2.9314 2.9314 3.0533 3.0533 3.0819 3.0819 3.6332 3.6332 3.6743 3.6743 4.0173 4.0173 4.0516 4.0516 8.7142 8.7142 8.7339 8.7339 11.6961 11.6961 11.7620 11.7620 13.1329 13.1329 k = 0.1092 0.1891 0.1791 ( 4386 PWs) bands (ev): -13.8666 -13.8666 -13.8644 -13.8644 -9.2084 -9.2084 -9.2056 -9.2056 -2.6085 -2.6085 -2.5538 -2.5538 -2.3717 -2.3717 -2.3082 -2.3082 -2.0423 -2.0423 -1.9053 -1.9053 -1.6320 -1.6320 -1.5223 -1.5223 -1.4469 -1.4469 -1.4119 -1.4119 -0.3728 -0.3728 -0.3599 -0.3599 2.0075 2.0075 2.0279 2.0279 2.9414 2.9414 2.9718 2.9718 3.0914 3.0914 3.1176 3.1176 3.6560 3.6560 3.6987 3.6987 4.0312 4.0312 4.0655 4.0655 8.6429 8.6429 8.6624 8.6624 11.6436 11.6436 11.7017 11.7017 13.1764 13.1764 k = 0.1034 0.1792 0.1791 ( 4386 PWs) bands (ev): -13.8698 -13.8698 -13.8676 -13.8676 -9.2186 -9.2186 -9.2159 -9.2159 -2.6121 -2.6121 -2.5640 -2.5640 -2.3787 -2.3787 -2.3224 -2.3224 -2.0471 -2.0471 -1.9174 -1.9174 -1.6301 -1.6301 -1.5221 -1.5221 -1.4457 -1.4457 -1.4156 -1.4156 -0.3676 -0.3676 -0.3567 -0.3567 2.0278 2.0278 2.0463 2.0463 2.9854 2.9854 3.0111 3.0111 3.1297 3.1297 3.1554 3.1554 3.6803 3.6803 3.7245 3.7245 4.0450 4.0450 4.0790 4.0790 8.5722 8.5722 8.5913 8.5913 11.5865 11.5865 11.6376 11.6376 13.2293 13.2293 k = 0.0977 0.1692 0.1791 ( 4382 PWs) bands (ev): -13.8729 -13.8729 -13.8708 -13.8708 -9.2283 -9.2283 -9.2257 -9.2257 -2.6157 -2.6157 -2.5739 -2.5739 -2.3856 -2.3856 -2.3362 -2.3362 -2.0516 -2.0516 -1.9292 -1.9292 -1.6279 -1.6279 -1.5223 -1.5223 -1.4442 -1.4442 -1.4187 -1.4187 -0.3625 -0.3625 -0.3534 -0.3534 2.0453 2.0453 2.0621 2.0621 3.0269 3.0269 3.0502 3.0502 3.1672 3.1672 3.1944 3.1944 3.7064 3.7064 3.7518 3.7518 4.0584 4.0584 4.0920 4.0920 8.5023 8.5023 8.5210 8.5210 11.5260 11.5260 11.5710 11.5710 13.2903 13.2903 k = 0.0920 0.1593 0.1791 ( 4380 PWs) bands (ev): -13.8759 -13.8759 -13.8739 -13.8739 -9.2377 -9.2377 -9.2352 -9.2352 -2.6194 -2.6194 -2.5834 -2.5834 -2.3922 -2.3922 -2.3496 -2.3496 -2.0557 -2.0557 -1.9407 -1.9407 -1.6255 -1.6255 -1.5228 -1.5228 -1.4425 -1.4425 -1.4212 -1.4212 -0.3576 -0.3576 -0.3500 -0.3500 2.0601 2.0601 2.0756 2.0756 3.0658 3.0658 3.0895 3.0895 3.2033 3.2033 3.2332 3.2332 3.7345 3.7345 3.7807 3.7807 4.0712 4.0712 4.1045 4.1045 8.4335 8.4335 8.4517 8.4517 11.4633 11.4633 11.5028 11.5028 13.3586 13.3586 k = 0.0862 0.1493 0.1791 ( 4376 PWs) bands (ev): -13.8787 -13.8787 -13.8768 -13.8768 -9.2466 -9.2466 -9.2443 -9.2443 -2.6231 -2.6231 -2.5926 -2.5926 -2.3987 -2.3987 -2.3624 -2.3624 -2.0595 -2.0595 -1.9518 -1.9518 -1.6229 -1.6229 -1.5236 -1.5236 -1.4407 -1.4407 -1.4231 -1.4231 -0.3528 -0.3528 -0.3465 -0.3465 2.0725 2.0725 2.0869 2.0869 3.1031 3.1031 3.1287 3.1287 3.2379 3.2379 3.2705 3.2705 3.7647 3.7647 3.8111 3.8111 4.0835 4.0835 4.1161 4.1161 8.3662 8.3662 8.3837 8.3837 11.3994 11.3994 11.4342 11.4342 13.4331 13.4331 k = 0.0805 0.1394 0.1791 ( 4384 PWs) bands (ev): -13.8814 -13.8814 -13.8796 -13.8796 -9.2551 -9.2551 -9.2529 -9.2529 -2.6267 -2.6267 -2.6013 -2.6013 -2.4049 -2.4049 -2.3746 -2.3746 -2.0628 -2.0628 -1.9625 -1.9625 -1.6200 -1.6200 -1.5249 -1.5249 -1.4389 -1.4389 -1.4247 -1.4247 -0.3483 -0.3483 -0.3431 -0.3431 2.0826 2.0826 2.0961 2.0961 3.1393 3.1393 3.1673 3.1673 3.2705 3.2705 3.3052 3.3052 3.7971 3.7971 3.8429 3.8429 4.0951 4.0951 4.1270 4.1270 8.3006 8.3006 8.3175 8.3175 11.3354 11.3354 11.3660 11.3660 13.5130 13.5130 k = 0.0747 0.1294 0.1791 ( 4388 PWs) bands (ev): -13.8840 -13.8840 -13.8823 -13.8823 -9.2631 -9.2631 -9.2610 -9.2610 -2.6304 -2.6304 -2.6096 -2.6096 -2.4109 -2.4109 -2.3859 -2.3859 -2.0658 -2.0658 -1.9728 -1.9728 -1.6170 -1.6170 -1.5265 -1.5265 -1.4370 -1.4370 -1.4257 -1.4257 -0.3441 -0.3441 -0.3398 -0.3398 2.0909 2.0909 2.1036 2.1036 3.1747 3.1747 3.2048 3.2048 3.3011 3.3011 3.3366 3.3366 3.8314 3.8314 3.8759 3.8759 4.1059 4.1059 4.1370 4.1370 8.2373 8.2373 8.2534 8.2534 11.2720 11.2720 11.2989 11.2989 13.5973 13.5973 k = 0.0690 0.1195 0.1791 ( 4384 PWs) bands (ev): -13.8865 -13.8865 -13.8849 -13.8849 -9.2706 -9.2706 -9.2686 -9.2686 -2.6341 -2.6341 -2.6174 -2.6174 -2.4165 -2.4165 -2.3964 -2.3964 -2.0682 -2.0682 -1.9826 -1.9826 -1.6137 -1.6137 -1.5284 -1.5284 -1.4351 -1.4351 -1.4263 -1.4263 -0.3401 -0.3401 -0.3366 -0.3366 2.0974 2.0974 2.1094 2.1094 3.2093 3.2093 3.2408 3.2408 3.3293 3.3293 3.3646 3.3646 3.8673 3.8673 3.9097 3.9097 4.1160 4.1160 4.1460 4.1460 8.1764 8.1764 8.1917 8.1917 11.2101 11.2101 11.2338 11.2338 13.6852 13.6852 k = 0.0632 0.1095 0.1791 ( 4384 PWs) bands (ev): -13.8887 -13.8887 -13.8872 -13.8872 -9.2776 -9.2776 -9.2757 -9.2757 -2.6377 -2.6377 -2.6246 -2.6246 -2.4219 -2.4219 -2.4061 -2.4061 -2.0703 -2.0703 -1.9919 -1.9919 -1.6102 -1.6102 -1.5307 -1.5307 -1.4333 -1.4333 -1.4265 -1.4265 -0.3364 -0.3364 -0.3336 -0.3336 2.1026 2.1026 2.1139 2.1139 3.2431 3.2431 3.2751 3.2751 3.3552 3.3552 3.3891 3.3891 3.9042 3.9042 3.9439 3.9439 4.1252 4.1252 4.1540 4.1540 8.1184 8.1184 8.1327 8.1327 11.1505 11.1505 11.1713 11.1713 13.7761 13.7761 k = 0.0575 0.0995 0.1791 ( 4384 PWs) bands (ev): -13.8908 -13.8908 -13.8895 -13.8895 -9.2840 -9.2840 -9.2823 -9.2823 -2.6413 -2.6413 -2.6313 -2.6313 -2.4269 -2.4269 -2.4148 -2.4148 -2.0718 -2.0718 -2.0007 -2.0007 -1.6067 -1.6067 -1.5332 -1.5331 -1.4315 -1.4315 -1.4265 -1.4265 -0.3330 -0.3330 -0.3308 -0.3308 2.1066 2.1066 2.1171 2.1171 3.2757 3.2757 3.3074 3.3074 3.3786 3.3786 3.4102 3.4102 3.9414 3.9414 3.9780 3.9780 4.1337 4.1337 4.1610 4.1610 8.0637 8.0637 8.0770 8.0770 11.0938 11.0938 11.1120 11.1120 13.8691 13.8691 k = 0.0517 0.0896 0.1791 ( 4380 PWs) bands (ev): -13.8928 -13.8928 -13.8915 -13.8915 -9.2899 -9.2899 -9.2883 -9.2883 -2.6448 -2.6448 -2.6374 -2.6374 -2.4316 -2.4316 -2.4226 -2.4226 -2.0729 -2.0729 -2.0091 -2.0091 -1.6030 -1.6030 -1.5359 -1.5359 -1.4298 -1.4298 -1.4262 -1.4262 -0.3300 -0.3300 -0.3282 -0.3282 2.1097 2.1097 2.1194 2.1194 3.3069 3.3069 3.3374 3.3374 3.3997 3.3997 3.4282 3.4282 3.9782 3.9782 4.0113 4.0113 4.1413 4.1413 4.1670 4.1670 8.0127 8.0127 8.0249 8.0249 11.0405 11.0405 11.0564 11.0564 13.9635 13.9635 k = 0.0460 0.0796 0.1791 ( 4384 PWs) bands (ev): -13.8945 -13.8945 -13.8934 -13.8934 -9.2951 -9.2951 -9.2938 -9.2938 -2.6481 -2.6481 -2.6429 -2.6429 -2.4359 -2.4359 -2.4295 -2.4295 -2.0736 -2.0736 -2.0169 -2.0169 -1.5992 -1.5992 -1.5389 -1.5389 -1.4283 -1.4283 -1.4258 -1.4258 -0.3273 -0.3273 -0.3258 -0.3258 2.1120 2.1120 2.1209 2.1209 3.3361 3.3361 3.3645 3.3645 3.4187 3.4187 3.4435 3.4435 4.0137 4.0137 4.0431 4.0431 4.1482 4.1482 4.1719 4.1719 7.9657 7.9657 7.9768 7.9768 10.9914 10.9914 11.0050 11.0050 14.0585 14.0585 k = 0.0402 0.0697 0.1791 ( 4386 PWs) bands (ev): -13.8960 -13.8960 -13.8950 -13.8950 -9.2998 -9.2998 -9.2986 -9.2986 -2.6513 -2.6513 -2.6478 -2.6478 -2.4398 -2.4398 -2.4355 -2.4355 -2.0737 -2.0737 -2.0242 -2.0242 -1.5953 -1.5953 -1.5420 -1.5420 -1.4270 -1.4270 -1.4253 -1.4253 -0.3248 -0.3248 -0.3237 -0.3237 2.1138 2.1138 2.1217 2.1217 3.3631 3.3631 3.3886 3.3886 3.4358 3.4358 3.4563 3.4563 4.0472 4.0472 4.0727 4.0727 4.1544 4.1544 4.1758 4.1758 7.9232 7.9232 7.9330 7.9330 10.9468 10.9468 10.9585 10.9585 14.1531 14.1531 k = 0.0345 0.0597 0.1791 ( 4382 PWs) bands (ev): -13.8974 -13.8974 -13.8965 -13.8965 -9.3039 -9.3039 -9.3028 -9.3028 -2.6542 -2.6542 -2.6520 -2.6520 -2.4432 -2.4432 -2.4405 -2.4405 -2.0734 -2.0734 -2.0310 -2.0310 -1.5914 -1.5914 -1.5453 -1.5453 -1.4258 -1.4258 -1.4247 -1.4247 -0.3227 -0.3227 -0.3218 -0.3218 2.1151 2.1151 2.1220 2.1220 3.3874 3.3874 3.4091 3.4091 3.4512 3.4512 3.4671 3.4671 4.0780 4.0780 4.0996 4.0996 4.1601 4.1601 4.1788 4.1788 7.8855 7.8855 7.8941 7.8941 10.9073 10.9073 10.9171 10.9171 14.2465 14.2465 k = 0.0287 0.0498 0.1791 ( 4390 PWs) bands (ev): -13.8985 -13.8985 -13.8978 -13.8978 -9.3073 -9.3073 -9.3065 -9.3065 -2.6569 -2.6569 -2.6556 -2.6556 -2.4463 -2.4463 -2.4447 -2.4447 -2.0726 -2.0726 -2.0374 -2.0374 -1.5875 -1.5875 -1.5488 -1.5488 -1.4248 -1.4248 -1.4242 -1.4242 -0.3210 -0.3210 -0.3203 -0.3203 2.1161 2.1161 2.1219 2.1219 3.4087 3.4087 3.4260 3.4260 3.4649 3.4649 3.4760 3.4760 4.1054 4.1054 4.1228 4.1228 4.1653 4.1653 4.1810 4.1810 7.8530 7.8530 7.8603 7.8603 10.8732 10.8732 10.8812 10.8812 14.3376 14.3376 k = 0.0230 0.0398 0.1791 ( 4390 PWs) bands (ev): -13.8994 -13.8994 -13.8988 -13.8988 -9.3102 -9.3102 -9.3094 -9.3094 -2.6591 -2.6591 -2.6584 -2.6584 -2.4488 -2.4488 -2.4480 -2.4480 -2.0713 -2.0713 -2.0432 -2.0432 -1.5835 -1.5835 -1.5524 -1.5524 -1.4240 -1.4240 -1.4237 -1.4237 -0.3195 -0.3195 -0.3190 -0.3190 2.1169 2.1169 2.1217 2.1217 3.4264 3.4264 3.4393 3.4393 3.4768 3.4768 3.4834 3.4834 4.1287 4.1287 4.1417 4.1417 4.1705 4.1705 4.1825 4.1825 7.8261 7.8261 7.8319 7.8319 10.8450 10.8450 10.8513 10.8513 14.4252 14.4252 k = 0.0172 0.0299 0.1791 ( 4386 PWs) bands (ev): -13.9001 -13.9001 -13.8997 -13.8997 -9.3123 -9.3123 -9.3118 -9.3118 -2.6609 -2.6609 -2.6606 -2.6606 -2.4508 -2.4508 -2.4505 -2.4505 -2.0695 -2.0695 -2.0484 -2.0484 -1.5794 -1.5794 -1.5560 -1.5560 -1.4234 -1.4234 -1.4233 -1.4233 -0.3184 -0.3184 -0.3180 -0.3180 2.1176 2.1176 2.1212 2.1212 3.4403 3.4403 3.4490 3.4490 3.4864 3.4864 3.4896 3.4896 4.1472 4.1472 4.1553 4.1553 4.1760 4.1760 4.1836 4.1836 7.8050 7.8050 7.8094 7.8094 10.8229 10.8229 10.8276 10.8276 14.5075 14.5075 k = 0.0115 0.0199 0.1791 ( 4374 PWs) bands (ev): -13.9006 -13.9006 -13.9003 -13.9003 -9.3139 -9.3139 -9.3135 -9.3135 -2.6623 -2.6623 -2.6622 -2.6622 -2.4523 -2.4523 -2.4522 -2.4522 -2.0672 -2.0672 -2.0531 -2.0531 -1.5754 -1.5754 -1.5597 -1.5597 -1.4229 -1.4229 -1.4228 -1.4228 -0.3175 -0.3175 -0.3172 -0.3172 2.1182 2.1182 2.1206 2.1206 3.4503 3.4503 3.4556 3.4556 3.4934 3.4934 3.4944 3.4944 4.1603 4.1603 4.1637 4.1637 4.1817 4.1817 4.1848 4.1848 7.7899 7.7899 7.7929 7.7929 10.8071 10.8071 10.8102 10.8102 14.5822 14.5822 k = 0.0057 0.0100 0.1791 ( 4362 PWs) bands (ev): -13.9008 -13.9008 -13.9007 -13.9007 -9.3148 -9.3148 -9.3146 -9.3146 -2.6631 -2.6631 -2.6630 -2.6630 -2.4531 -2.4531 -2.4531 -2.4531 -2.0644 -2.0644 -2.0573 -2.0573 -1.5713 -1.5713 -1.5635 -1.5635 -1.4226 -1.4226 -1.4226 -1.4226 -0.3169 -0.3169 -0.3168 -0.3168 2.1188 2.1188 2.1200 2.1200 3.4565 3.4565 3.4591 3.4591 3.4975 3.4975 3.4977 3.4977 4.1674 4.1674 4.1681 4.1681 4.1859 4.1859 4.1863 4.1863 7.7811 7.7811 7.7826 7.7826 10.7979 10.7979 10.7995 10.7995 14.6455 14.6455 k = 0.0000 0.0000 0.1791 ( 4362 PWs) bands (ev): -13.9009 -13.9009 -13.9009 -13.9009 -9.3150 -9.3150 -9.3150 -9.3150 -2.6634 -2.6634 -2.6634 -2.6634 -2.4534 -2.4534 -2.4534 -2.4534 -2.0611 -2.0611 -2.0611 -2.0611 -1.5674 -1.5674 -1.5674 -1.5674 -1.4225 -1.4225 -1.4225 -1.4225 -0.3167 -0.3167 -0.3167 -0.3167 2.1194 2.1194 2.1194 2.1194 3.4594 3.4594 3.4594 3.4594 3.4989 3.4989 3.4989 3.4989 4.1694 4.1694 4.1694 4.1694 4.1873 4.1873 4.1873 4.1873 7.7787 7.7787 7.7787 7.7787 10.7954 10.7954 10.7954 10.7954 14.6892 14.6892 k = 0.5000 0.2887 0.1791 ( 4348 PWs) bands (ev): -13.7900 -13.7900 -13.7900 -13.7900 -8.9428 -8.9428 -8.9428 -8.9428 -2.5385 -2.5385 -2.5385 -2.5385 -2.0926 -2.0926 -2.0926 -2.0926 -1.8186 -1.8186 -1.8186 -1.8186 -1.3683 -1.3683 -1.3683 -1.3683 -1.2979 -1.2979 -1.2979 -1.2979 -0.3426 -0.3426 -0.3426 -0.3426 0.8425 0.8425 0.8425 0.8425 1.9363 1.9363 1.9363 1.9363 2.5404 2.5404 2.5404 2.5404 3.4402 3.4402 3.4402 3.4402 4.0343 4.0343 4.0343 4.0343 9.5439 9.5439 9.5439 9.5439 11.5861 11.5861 11.5861 11.5861 13.1547 13.1547 k = 0.5000 0.2887 0.1679 ( 4354 PWs) bands (ev): -13.7902 -13.7902 -13.7898 -13.7898 -8.9433 -8.9433 -8.9422 -8.9422 -2.5430 -2.5430 -2.5341 -2.5341 -2.0931 -2.0931 -2.0922 -2.0922 -1.8196 -1.8196 -1.8177 -1.8177 -1.3705 -1.3705 -1.3662 -1.3662 -1.2990 -1.2990 -1.2970 -1.2970 -0.3439 -0.3439 -0.3415 -0.3415 0.8279 0.8279 0.8586 0.8586 1.9018 1.9018 1.9700 1.9700 2.5245 2.5245 2.5567 2.5567 3.4023 3.4023 3.4779 3.4779 4.0160 4.0160 4.0523 4.0523 9.5084 9.5084 9.5799 9.5799 11.5613 11.5613 11.6090 11.6090 13.1118 13.1118 k = 0.5000 0.2887 0.1567 ( 4366 PWs) bands (ev): -13.7903 -13.7903 -13.7897 -13.7897 -8.9439 -8.9439 -8.9416 -8.9416 -2.5474 -2.5474 -2.5296 -2.5296 -2.0936 -2.0936 -2.0919 -2.0919 -1.8206 -1.8206 -1.8168 -1.8168 -1.3727 -1.3727 -1.3641 -1.3641 -1.3003 -1.3003 -1.2962 -1.2962 -0.3452 -0.3452 -0.3406 -0.3406 0.8148 0.8148 0.8759 0.8759 1.8669 1.8669 2.0026 2.0026 2.5091 2.5091 2.5731 2.5731 3.3644 3.3644 3.5148 3.5148 3.9974 3.9974 4.0697 4.0697 9.4737 9.4737 9.6160 9.6160 11.5348 11.5348 11.6296 11.6296 13.0736 13.0736 k = 0.5000 0.2887 0.1455 ( 4368 PWs) bands (ev): -13.7905 -13.7905 -13.7895 -13.7895 -8.9445 -8.9445 -8.9411 -8.9411 -2.5517 -2.5517 -2.5252 -2.5252 -2.0941 -2.0941 -2.0915 -2.0915 -1.8214 -1.8214 -1.8159 -1.8159 -1.3748 -1.3748 -1.3621 -1.3621 -1.3015 -1.3015 -1.2954 -1.2954 -0.3466 -0.3466 -0.3397 -0.3397 0.8035 0.8035 0.8943 0.8943 1.8320 1.8320 2.0339 2.0339 2.4944 2.4944 2.5897 2.5897 3.3270 3.3270 3.5508 3.5508 3.9788 3.9788 4.0866 4.0866 9.4399 9.4399 9.6522 9.6522 11.5071 11.5071 11.6480 11.6480 13.0405 13.0405 k = 0.5000 0.2887 0.1343 ( 4368 PWs) bands (ev): -13.7907 -13.7907 -13.7893 -13.7893 -8.9450 -8.9450 -8.9405 -8.9405 -2.5558 -2.5558 -2.5209 -2.5209 -2.0945 -2.0945 -2.0911 -2.0911 -1.8222 -1.8222 -1.8149 -1.8149 -1.3769 -1.3769 -1.3600 -1.3600 -1.3027 -1.3027 -1.2947 -1.2947 -0.3480 -0.3480 -0.3390 -0.3390 0.7939 0.7939 0.9135 0.9135 1.7972 1.7972 2.0635 2.0635 2.4803 2.4803 2.6062 2.6062 3.2905 3.2905 3.5855 3.5855 3.9604 3.9604 4.1027 4.1027 9.4074 9.4074 9.6880 9.6880 11.4785 11.4785 11.6638 11.6638 13.0126 13.0126 k = 0.5000 0.2887 0.1231 ( 4366 PWs) bands (ev): -13.7908 -13.7908 -13.7892 -13.7892 -8.9455 -8.9455 -8.9400 -8.9400 -2.5597 -2.5597 -2.5166 -2.5166 -2.0950 -2.0950 -2.0907 -2.0907 -1.8229 -1.8229 -1.8140 -1.8140 -1.3789 -1.3789 -1.3581 -1.3581 -1.3039 -1.3039 -1.2942 -1.2942 -0.3494 -0.3494 -0.3384 -0.3384 0.7861 0.7861 0.9331 0.9331 1.7631 1.7631 2.0913 2.0913 2.4671 2.4671 2.6224 2.6224 3.2551 3.2551 3.6186 3.6186 3.9423 3.9423 4.1179 4.1179 9.3764 9.3764 9.7232 9.7232 11.4494 11.4494 11.6771 11.6771 12.9900 12.9900 k = 0.5000 0.2887 0.1119 ( 4364 PWs) bands (ev): -13.7910 -13.7910 -13.7890 -13.7890 -8.9460 -8.9460 -8.9395 -8.9395 -2.5634 -2.5634 -2.5126 -2.5126 -2.0954 -2.0954 -2.0904 -2.0904 -1.8235 -1.8235 -1.8131 -1.8131 -1.3808 -1.3808 -1.3562 -1.3562 -1.3051 -1.3051 -1.2938 -1.2938 -0.3509 -0.3509 -0.3379 -0.3379 0.7800 0.7800 0.9530 0.9530 1.7300 1.7300 2.1169 2.1169 2.4547 2.4547 2.6383 2.6383 3.2214 3.2214 3.6499 3.6499 3.9247 3.9247 4.1321 4.1321 9.3471 9.3471 9.7575 9.7575 11.4202 11.4202 11.6880 11.6880 12.9724 12.9724 k = 0.5000 0.2887 0.1008 ( 4364 PWs) bands (ev): -13.7911 -13.7911 -13.7889 -13.7889 -8.9465 -8.9465 -8.9391 -8.9391 -2.5668 -2.5668 -2.5089 -2.5089 -2.0958 -2.0958 -2.0901 -2.0901 -1.8241 -1.8241 -1.8123 -1.8123 -1.3826 -1.3826 -1.3544 -1.3544 -1.3062 -1.3062 -1.2936 -1.2936 -0.3522 -0.3522 -0.3376 -0.3376 0.7755 0.7755 0.9726 0.9726 1.6982 1.6982 2.1401 2.1401 2.4434 2.4434 2.6534 2.6534 3.1897 3.1897 3.6789 3.6789 3.9079 3.9079 4.1453 4.1453 9.3198 9.3198 9.7904 9.7904 11.3915 11.3915 11.6965 11.6965 12.9593 12.9593 k = 0.5000 0.2887 0.0896 ( 4372 PWs) bands (ev): -13.7912 -13.7912 -13.7888 -13.7888 -8.9469 -8.9469 -8.9386 -8.9386 -2.5700 -2.5700 -2.5054 -2.5054 -2.0962 -2.0962 -2.0898 -2.0898 -1.8246 -1.8246 -1.8116 -1.8116 -1.3845 -1.3845 -1.3527 -1.3527 -1.3072 -1.3072 -1.2936 -1.2936 -0.3535 -0.3535 -0.3374 -0.3374 0.7724 0.7724 0.9917 0.9917 1.6682 1.6682 2.1609 2.1609 2.4330 2.4330 2.6678 2.6678 3.1603 3.1603 3.7056 3.7056 3.8920 3.8920 4.1573 4.1573 9.2947 9.2947 9.8217 9.8217 11.3636 11.3636 11.7030 11.7030 12.9503 12.9503 k = 0.5000 0.2887 0.0784 ( 4368 PWs) bands (ev): -13.7913 -13.7913 -13.7887 -13.7887 -8.9473 -8.9473 -8.9382 -8.9382 -2.5728 -2.5728 -2.5022 -2.5022 -2.0966 -2.0966 -2.0895 -2.0895 -1.8249 -1.8249 -1.8109 -1.8109 -1.3860 -1.3860 -1.3511 -1.3511 -1.3082 -1.3082 -1.2936 -1.2936 -0.3548 -0.3548 -0.3372 -0.3372 0.7707 0.7707 1.0098 1.0098 1.6403 1.6403 2.1791 2.1791 2.4238 2.4238 2.6811 2.6811 3.1337 3.1337 3.7298 3.7298 3.8772 3.8772 4.1680 4.1680 9.2719 9.2719 9.8508 9.8508 11.3370 11.3370 11.7077 11.7077 12.9446 12.9446 k = 0.5000 0.2887 0.0672 ( 4368 PWs) bands (ev): -13.7914 -13.7914 -13.7886 -13.7886 -8.9476 -8.9476 -8.9379 -8.9379 -2.5754 -2.5754 -2.4994 -2.4994 -2.0969 -2.0969 -2.0893 -2.0893 -1.8252 -1.8252 -1.8104 -1.8104 -1.3875 -1.3875 -1.3496 -1.3496 -1.3090 -1.3090 -1.2937 -1.2937 -0.3559 -0.3559 -0.3372 -0.3372 0.7699 0.7699 1.0266 1.0266 1.6151 1.6151 2.1946 2.1946 2.4158 2.4158 2.6931 2.6931 3.1101 3.1101 3.7511 3.7511 3.8639 3.8639 4.1775 4.1775 9.2517 9.2517 9.8775 9.8775 11.3125 11.3125 11.7108 11.7108 12.9417 12.9417 k = 0.5000 0.2887 0.0560 ( 4364 PWs) bands (ev): -13.7915 -13.7915 -13.7885 -13.7885 -8.9479 -8.9479 -8.9376 -8.9376 -2.5775 -2.5775 -2.4969 -2.4969 -2.0971 -2.0971 -2.0891 -2.0891 -1.8255 -1.8255 -1.8098 -1.8098 -1.3887 -1.3887 -1.3483 -1.3483 -1.3098 -1.3098 -1.2939 -1.2939 -0.3568 -0.3568 -0.3372 -0.3372 0.7700 0.7700 1.0416 1.0416 1.5928 1.5928 2.2075 2.2075 2.4089 2.4089 2.7038 2.7038 3.0898 3.0898 3.7694 3.7694 3.8522 3.8522 4.1857 4.1857 9.2344 9.2344 9.9011 9.9011 11.2904 11.2904 11.7129 11.7129 12.9407 12.9407 k = 0.5000 0.2887 0.0448 ( 4364 PWs) bands (ev): -13.7916 -13.7916 -13.7884 -13.7884 -8.9482 -8.9482 -8.9374 -8.9374 -2.5793 -2.5793 -2.4949 -2.4949 -2.0973 -2.0973 -2.0890 -2.0890 -1.8257 -1.8257 -1.8094 -1.8094 -1.3898 -1.3898 -1.3471 -1.3471 -1.3104 -1.3104 -1.2941 -1.2941 -0.3577 -0.3577 -0.3372 -0.3372 0.7706 0.7706 1.0544 1.0544 1.5738 1.5738 2.2179 2.2179 2.4032 2.4032 2.7128 2.7128 3.0730 3.0730 3.7846 3.7846 3.8423 3.8423 4.1924 4.1924 9.2199 9.2199 9.9213 9.9213 11.2714 11.2714 11.7140 11.7140 12.9410 12.9410 k = 0.5000 0.2887 0.0336 ( 4352 PWs) bands (ev): -13.7916 -13.7916 -13.7884 -13.7884 -8.9484 -8.9484 -8.9372 -8.9372 -2.5807 -2.5807 -2.4932 -2.4932 -2.0974 -2.0974 -2.0888 -2.0888 -1.8257 -1.8257 -1.8090 -1.8090 -1.3906 -1.3906 -1.3461 -1.3461 -1.3108 -1.3108 -1.2943 -1.2943 -0.3583 -0.3583 -0.3372 -0.3372 0.7714 0.7714 1.0648 1.0648 1.5587 1.5587 2.2257 2.2257 2.3988 2.3988 2.7199 2.7199 3.0598 3.0598 3.7966 3.7966 3.8344 3.8344 4.1976 4.1976 9.2085 9.2085 9.9376 9.9376 11.2559 11.2559 11.7146 11.7146 12.9420 12.9420 k = 0.5000 0.2887 0.0224 ( 4350 PWs) bands (ev): -13.7917 -13.7917 -13.7883 -13.7883 -8.9485 -8.9485 -8.9370 -8.9370 -2.5817 -2.5817 -2.4920 -2.4920 -2.0975 -2.0975 -2.0887 -2.0887 -1.8258 -1.8258 -1.8088 -1.8088 -1.3912 -1.3912 -1.3454 -1.3454 -1.3111 -1.3111 -1.2945 -1.2945 -0.3588 -0.3588 -0.3372 -0.3372 0.7722 0.7722 1.0725 1.0725 1.5476 1.5476 2.2312 2.2312 2.3957 2.3957 2.7252 2.7252 3.0503 3.0503 3.8052 3.8052 3.8286 3.8286 4.2014 4.2014 9.2003 9.2003 9.9495 9.9495 11.2445 11.2445 11.7149 11.7149 12.9430 12.9430 k = 0.5000 0.2887 0.0112 ( 4346 PWs) bands (ev): -13.7917 -13.7917 -13.7883 -13.7883 -8.9486 -8.9486 -8.9369 -8.9369 -2.5823 -2.5823 -2.4912 -2.4912 -2.0975 -2.0975 -2.0886 -2.0886 -1.8259 -1.8259 -1.8086 -1.8086 -1.3916 -1.3916 -1.3450 -1.3450 -1.3113 -1.3113 -1.2946 -1.2946 -0.3591 -0.3591 -0.3373 -0.3373 0.7727 0.7727 1.0772 1.0772 1.5409 1.5409 2.2344 2.2344 2.3938 2.3938 2.7284 2.7284 3.0446 3.0446 3.8104 3.8104 3.8251 3.8251 4.2037 4.2037 9.1954 9.1954 9.9568 9.9568 11.2375 11.2375 11.7150 11.7150 12.9439 12.9439 k = 0.5000 0.2887-0.0000 ( 4334 PWs) bands (ev): -13.7917 -13.7917 -13.7883 -13.7883 -8.9486 -8.9486 -8.9369 -8.9369 -2.5824 -2.5824 -2.4910 -2.4910 -2.0975 -2.0975 -2.0886 -2.0886 -1.8258 -1.8258 -1.8085 -1.8085 -1.3917 -1.3917 -1.3448 -1.3448 -1.3113 -1.3113 -1.2946 -1.2946 -0.3591 -0.3591 -0.3372 -0.3372 0.7729 0.7729 1.0788 1.0788 1.5386 1.5386 2.2355 2.2355 2.3932 2.3932 2.7294 2.7294 3.0427 3.0427 3.8121 3.8121 3.8240 3.8240 4.2045 4.2045 9.1937 9.1937 9.9593 9.9593 11.2351 11.2351 11.7150 11.7150 12.9442 12.9442 k = 0.3333 0.5774-0.0000 ( 4356 PWs) bands (ev): -13.7798 -13.7798 -13.7749 -13.7749 -8.8931 -8.8930 -8.8900 -8.8900 -2.4602 -2.4602 -2.2042 -2.1431 -2.1282 -2.1282 -2.0691 -2.0691 -2.0415 -2.0415 -1.7102 -1.7102 -1.4992 -1.4587 -1.4587 -1.4035 -1.3890 -1.3890 -1.3379 -1.3167 -0.1690 -0.1690 0.1361 0.1361 0.8046 0.8194 0.8204 0.8204 1.5588 1.5605 1.6076 1.6076 2.5106 2.5106 2.5917 2.6029 2.6403 2.6403 3.0456 3.0456 3.9242 3.9408 3.9408 3.9502 10.2586 10.2680 10.2721 10.2721 11.9089 11.9089 12.8814 13.0104 13.0104 13.0542 k = 0.3333 0.5774 0.0112 ( 4359 PWs) bands (ev): -13.7798 -13.7798 -13.7749 -13.7749 -8.8931 -8.8930 -8.8900 -8.8900 -2.4602 -2.4602 -2.2041 -2.1433 -2.1284 -2.1284 -2.0690 -2.0690 -2.0414 -2.0414 -1.7102 -1.7102 -1.4990 -1.4587 -1.4587 -1.4038 -1.3891 -1.3891 -1.3378 -1.3167 -0.1688 -0.1688 0.1357 0.1357 0.8040 0.8186 0.8197 0.8197 1.5608 1.5627 1.6096 1.6096 2.5118 2.5118 2.5895 2.6008 2.6382 2.6382 3.0443 3.0443 3.9251 3.9417 3.9417 3.9510 10.2587 10.2681 10.2721 10.2721 11.9116 11.9116 12.8823 13.0111 13.0111 13.0545 k = 0.3333 0.5774 0.0224 ( 4362 PWs) bands (ev): -13.7798 -13.7798 -13.7749 -13.7749 -8.8931 -8.8930 -8.8900 -8.8900 -2.4601 -2.4601 -2.2037 -2.1437 -2.1289 -2.1289 -2.0688 -2.0688 -2.0413 -2.0413 -1.7100 -1.7100 -1.4985 -1.4588 -1.4588 -1.4048 -1.3892 -1.3892 -1.3374 -1.3168 -0.1681 -0.1681 0.1345 0.1345 0.8020 0.8164 0.8177 0.8177 1.5668 1.5689 1.6156 1.6156 2.5154 2.5154 2.5831 2.5944 2.6321 2.6321 3.0406 3.0406 3.9278 3.9442 3.9442 3.9533 10.2590 10.2683 10.2724 10.2724 11.9197 11.9197 12.8849 13.0132 13.0132 13.0554 k = 0.3333 0.5774 0.0336 ( 4365 PWs) bands (ev): -13.7798 -13.7798 -13.7750 -13.7750 -8.8931 -8.8930 -8.8900 -8.8900 -2.4599 -2.4599 -2.2029 -2.1444 -2.1298 -2.1298 -2.0685 -2.0685 -2.0411 -2.0411 -1.7098 -1.7098 -1.4976 -1.4589 -1.4589 -1.4065 -1.3894 -1.3894 -1.3367 -1.3169 -0.1670 -0.1670 0.1326 0.1326 0.7990 0.8127 0.8145 0.8145 1.5766 1.5791 1.6255 1.6255 2.5211 2.5211 2.5726 2.5840 2.6223 2.6223 3.0344 3.0344 3.9322 3.9483 3.9483 3.9570 10.2596 10.2687 10.2729 10.2729 11.9332 11.9332 12.8893 13.0166 13.0166 13.0568 k = 0.3333 0.5774 0.0448 ( 4365 PWs) bands (ev): -13.7797 -13.7797 -13.7750 -13.7750 -8.8931 -8.8930 -8.8900 -8.8900 -2.4596 -2.4596 -2.2019 -2.1454 -2.1308 -2.1308 -2.0681 -2.0681 -2.0407 -2.0407 -1.7095 -1.7095 -1.4963 -1.4590 -1.4590 -1.4087 -1.3896 -1.3896 -1.3358 -1.3170 -0.1654 -0.1654 0.1300 0.1300 0.7949 0.8079 0.8103 0.8103 1.5899 1.5930 1.6390 1.6390 2.5286 2.5286 2.5582 2.5699 2.6095 2.6095 3.0258 3.0258 3.9381 3.9538 3.9538 3.9619 10.2604 10.2692 10.2735 10.2735 11.9519 11.9519 12.8953 13.0212 13.0212 13.0587 k = 0.3333 0.5774 0.0560 ( 4371 PWs) bands (ev): -13.7797 -13.7797 -13.7750 -13.7750 -8.8931 -8.8930 -8.8900 -8.8900 -2.4592 -2.4592 -2.2007 -2.1467 -2.1321 -2.1321 -2.0676 -2.0676 -2.0404 -2.0404 -1.7092 -1.7092 -1.4947 -1.4592 -1.4592 -1.4114 -1.3899 -1.3899 -1.3348 -1.3172 -0.1635 -0.1635 0.1268 0.1268 0.7900 0.8022 0.8052 0.8052 1.6065 1.6102 1.6557 1.6557 2.5363 2.5363 2.5405 2.5523 2.5954 2.5954 3.0149 3.0149 3.9452 3.9604 3.9604 3.9677 10.2614 10.2698 10.2742 10.2742 11.9758 11.9758 12.9029 13.0267 13.0267 13.0608 k = 0.3333 0.5774 0.0672 ( 4371 PWs) bands (ev): -13.7797 -13.7797 -13.7750 -13.7750 -8.8931 -8.8930 -8.8900 -8.8900 -2.4588 -2.4588 -2.1991 -2.1483 -2.1335 -2.1335 -2.0670 -2.0670 -2.0399 -2.0399 -1.7087 -1.7087 -1.4927 -1.4594 -1.4594 -1.4145 -1.3902 -1.3902 -1.3336 -1.3174 -0.1613 -0.1613 0.1231 0.1231 0.7847 0.7959 0.7996 0.7996 1.6258 1.6301 1.6752 1.6752 2.5199 2.5317 2.5395 2.5395 2.5850 2.5850 3.0018 3.0018 3.9533 3.9677 3.9677 3.9743 10.2625 10.2704 10.2750 10.2750 12.0048 12.0048 12.9120 13.0327 13.0327 13.0631 k = 0.3333 0.5774 0.0784 ( 4365 PWs) bands (ev): -13.7796 -13.7796 -13.7751 -13.7751 -8.8931 -8.8930 -8.8900 -8.8900 -2.4583 -2.4583 -2.1973 -2.1500 -2.1349 -2.1349 -2.0665 -2.0665 -2.0394 -2.0394 -1.7082 -1.7082 -1.4903 -1.4596 -1.4596 -1.4180 -1.3905 -1.3905 -1.3324 -1.3177 -0.1588 -0.1588 0.1191 0.1191 0.7790 0.7892 0.7936 0.7936 1.6474 1.6524 1.6970 1.6970 2.4968 2.5087 2.5297 2.5297 2.5874 2.5874 2.9867 2.9867 3.9619 3.9756 3.9756 3.9812 10.2637 10.2711 10.2759 10.2759 12.0387 12.0387 12.9224 13.0381 13.0381 13.0652 k = 0.3333 0.5774 0.0896 ( 4368 PWs) bands (ev): -13.7796 -13.7796 -13.7751 -13.7751 -8.8931 -8.8930 -8.8900 -8.8900 -2.4578 -2.4578 -2.1953 -2.1520 -2.1364 -2.1364 -2.0660 -2.0660 -2.0389 -2.0389 -1.7078 -1.7078 -1.4877 -1.4598 -1.4598 -1.4219 -1.3909 -1.3909 -1.3311 -1.3180 -0.1562 -0.1562 0.1148 0.1148 0.7734 0.7825 0.7876 0.7876 1.6707 1.6762 1.7205 1.7205 2.4721 2.4838 2.5095 2.5095 2.6003 2.6003 2.9697 2.9697 3.9707 3.9837 3.9837 3.9883 10.2651 10.2718 10.2769 10.2769 12.0772 12.0772 12.9340 13.0394 13.0394 13.0669 k = 0.3333 0.5774 0.1008 ( 4359 PWs) bands (ev): -13.7795 -13.7795 -13.7752 -13.7752 -8.8931 -8.8930 -8.8900 -8.8900 -2.4573 -2.4573 -2.1930 -2.1542 -2.1379 -2.1379 -2.0654 -2.0654 -2.0383 -2.0383 -1.7072 -1.7072 -1.4848 -1.4600 -1.4600 -1.4259 -1.3912 -1.3912 -1.3298 -1.3182 -0.1534 -0.1534 0.1105 0.1105 0.7679 0.7759 0.7817 0.7817 1.6951 1.7010 1.7452 1.7452 2.4464 2.4578 2.4854 2.4854 2.6177 2.6177 2.9508 2.9508 3.9795 3.9916 3.9916 3.9952 10.2664 10.2725 10.2778 10.2778 12.1202 12.1202 12.9466 13.0221 13.0221 13.0680 k = 0.3333 0.5774 0.1119 ( 4353 PWs) bands (ev): -13.7795 -13.7795 -13.7752 -13.7752 -8.8931 -8.8930 -8.8900 -8.8900 -2.4568 -2.4568 -2.1905 -2.1565 -2.1392 -2.1392 -2.0649 -2.0649 -2.0378 -2.0378 -1.7067 -1.7067 -1.4815 -1.4601 -1.4601 -1.4301 -1.3915 -1.3915 -1.3285 -1.3186 -0.1507 -0.1507 0.1062 0.1062 0.7628 0.7696 0.7762 0.7762 1.7199 1.7260 1.7701 1.7701 2.4205 2.4314 2.4600 2.4600 2.6377 2.6377 2.9305 2.9305 3.9880 3.9991 3.9991 4.0016 10.2678 10.2731 10.2787 10.2787 12.1673 12.1673 12.9599 12.9700 12.9700 13.0681 k = 0.3333 0.5774 0.1231 ( 4353 PWs) bands (ev): -13.7795 -13.7795 -13.7752 -13.7752 -8.8931 -8.8930 -8.8900 -8.8900 -2.4564 -2.4564 -2.1879 -2.1591 -2.1405 -2.1405 -2.0645 -2.0645 -2.0374 -2.0374 -1.7063 -1.7063 -1.4780 -1.4603 -1.4603 -1.4346 -1.3918 -1.3918 -1.3273 -1.3191 -0.1481 -0.1481 0.1022 0.1022 0.7583 0.7640 0.7713 0.7713 1.7441 1.7502 1.7945 1.7945 2.3955 2.4056 2.4348 2.4348 2.6594 2.6594 2.9087 2.9087 3.9958 4.0059 4.0059 4.0072 10.2691 10.2736 10.2795 10.2795 12.2183 12.2183 12.9027 12.9027 12.9736 13.0670 k = 0.3333 0.5774 0.1343 ( 4353 PWs) bands (ev): -13.7794 -13.7794 -13.7753 -13.7753 -8.8931 -8.8930 -8.8900 -8.8900 -2.4560 -2.4560 -2.1852 -2.1618 -2.1416 -2.1416 -2.0642 -2.0642 -2.0370 -2.0370 -1.7059 -1.7059 -1.4743 -1.4605 -1.4605 -1.4391 -1.3920 -1.3920 -1.3262 -1.3196 -0.1458 -0.1458 0.0986 0.0986 0.7545 0.7590 0.7671 0.7671 1.7669 1.7725 1.8172 1.8172 2.3725 2.3814 2.4112 2.4112 2.6824 2.6824 2.8859 2.8859 4.0027 4.0117 4.0117 4.0119 10.2703 10.2740 10.2803 10.2803 12.2725 12.2725 12.8322 12.8322 12.9874 13.0645 k = 0.3333 0.5774 0.1455 ( 4335 PWs) bands (ev): -13.7794 -13.7794 -13.7753 -13.7753 -8.8931 -8.8930 -8.8900 -8.8900 -2.4556 -2.4556 -2.1823 -2.1645 -2.1424 -2.1424 -2.0639 -2.0639 -2.0366 -2.0366 -1.7054 -1.7054 -1.4703 -1.4605 -1.4605 -1.4436 -1.3922 -1.3922 -1.3250 -1.3201 -0.1438 -0.1438 0.0957 0.0957 0.7516 0.7550 0.7636 0.7636 1.7870 1.7918 1.8371 1.8371 2.3528 2.3601 2.3906 2.3906 2.7063 2.7063 2.8623 2.8623 4.0086 4.0156 4.0165 4.0165 10.2714 10.2742 10.2809 10.2809 12.3294 12.3294 12.7616 12.7616 13.0010 13.0602 k = 0.3333 0.5774 0.1567 ( 4350 PWs) bands (ev): -13.7794 -13.7794 -13.7753 -13.7753 -8.8931 -8.8930 -8.8900 -8.8900 -2.4554 -2.4554 -2.1795 -2.1675 -2.1431 -2.1431 -2.0638 -2.0638 -2.0364 -2.0364 -1.7053 -1.7053 -1.4662 -1.4608 -1.4608 -1.4483 -1.3924 -1.3924 -1.3240 -1.3208 -0.1424 -0.1424 0.0934 0.0934 0.7496 0.7518 0.7611 0.7611 1.8030 1.8066 1.8527 1.8527 2.3378 2.3429 2.3743 2.3743 2.7304 2.7304 2.8382 2.8382 4.0132 4.0179 4.0200 4.0200 10.2723 10.2742 10.2813 10.2813 12.3871 12.3871 12.6937 12.6937 13.0140 13.0543 k = 0.3333 0.5774 0.1679 ( 4350 PWs) bands (ev): -13.7794 -13.7794 -13.7753 -13.7753 -8.8931 -8.8930 -8.8900 -8.8900 -2.4553 -2.4553 -2.1765 -2.1705 -2.1435 -2.1435 -2.0637 -2.0637 -2.0362 -2.0362 -1.7052 -1.7052 -1.4619 -1.4608 -1.4608 -1.4529 -1.3925 -1.3925 -1.3231 -1.3215 -0.1415 -0.1415 0.0920 0.0920 0.7485 0.7497 0.7596 0.7596 1.8137 1.8156 1.8628 1.8628 2.3287 2.3314 2.3638 2.3638 2.7535 2.7535 2.8152 2.8152 4.0165 4.0189 4.0222 4.0222 10.2731 10.2741 10.2816 10.2816 12.4408 12.4408 12.6338 12.6338 13.0262 13.0465 k = 0.3333 0.5774 0.1791 ( 4344 PWs) bands (ev): -13.7794 -13.7794 -13.7753 -13.7753 -8.8930 -8.8930 -8.8900 -8.8900 -2.4552 -2.4552 -2.1734 -2.1734 -2.1436 -2.1436 -2.0636 -2.0636 -2.0362 -2.0362 -1.7051 -1.7051 -1.4608 -1.4608 -1.4575 -1.4575 -1.3925 -1.3925 -1.3222 -1.3222 -0.1411 -0.1411 0.0916 0.0916 0.7486 0.7486 0.7591 0.7591 1.8181 1.8181 1.8663 1.8663 2.3265 2.3265 2.3602 2.3602 2.7673 2.7673 2.8015 2.8015 4.0184 4.0184 4.0229 4.0229 10.2737 10.2737 10.2817 10.2817 12.4689 12.4689 12.6037 12.6037 13.0371 13.0371 Writing output data file CdHClO.save init_run : 1.89s CPU 1.18s WALL ( 1 calls) electrons : 395.68s CPU 312.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.20s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 395.66s CPU 312.70s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.50s CPU 0.32s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.39s CPU 0.55s WALL ( 331 calls) cegterg : 360.55s CPU 291.46s WALL ( 713 calls) Called by sum_band: Called by *egterg: h_psi : 170.08s CPU 120.71s WALL ( 12521 calls) s_psi : 15.78s CPU 10.83s WALL ( 12521 calls) g_psi : 0.40s CPU 0.34s WALL ( 11477 calls) cdiaghg : 153.98s CPU 136.92s WALL ( 11808 calls) cegterg:over : 17.81s CPU 13.47s WALL ( 11477 calls) cegterg:upda : 16.25s CPU 13.42s WALL ( 11477 calls) cegterg:last : 6.24s CPU 5.11s WALL ( 1545 calls) cdiaghg:chol : 8.51s CPU 7.88s WALL ( 11808 calls) cdiaghg:inve : 6.01s CPU 5.39s WALL ( 11808 calls) cdiaghg:para : 10.22s CPU 9.04s WALL ( 23616 calls) Called by h_psi: h_psi:vloc : 133.89s CPU 95.02s WALL ( 12521 calls) h_psi:vnl : 35.60s CPU 25.31s WALL ( 12521 calls) add_vuspsi : 20.10s CPU 13.85s WALL ( 12521 calls) General routines calbec : 15.41s CPU 11.42s WALL ( 12521 calls) fft : 0.08s CPU 0.05s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 114.52s CPU 80.16s WALL ( 1137596 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.46s CPU 1.16s WALL ( 662 calls) Parallel routines fft_scatter : 65.06s CPU 47.34s WALL ( 1137619 calls) PWSCF : 6m57.60s CPU 5m51.80s WALL This run was terminated on: 15:47:32 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=